| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40 | Very low | 52.7 | Low | 224 Ų | 224 | 128.3 Ų | 128.3 | 100% | 1.103 | 72% | 0.721 | S | S | * | * | 0 | 151.9 | 0 | -73.1 | 168.3 | 59 | 0 | 0 | 108.4 | |||||
| 2 | P | 45.3 | Very low | 52.7 | Low | 119 Ų | 119 | 122.8 Ų | 122.8 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | trans | -61.3 | 143.1 | 154 | 31.1 | -33.7 | 0 | 0 | 0 | 108.7 | ||||
| 3 | G | 49.8 | Very low | 52.6 | Low | 61 Ų | 61 | 123.4 Ų | 123.4 | 63% | 0.629 | 69% | 0.692 | S | S | * | * | trans | -77.9 | 130.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I5 | G3-I5 VanDerWaalsContact C-N 3.31Å; G3-I5 VanDerWaalsContact O-CD1 3.29Å; G3-I5 WeakPolarHBondContact O-CD1 2.92Å; G3-I5 PolarHBondContact O-N 2.68Å | ||
| 4 | D | 52.9 | Low | 52.6 | Low | 104 Ų | 104 | 120.4 Ų | 120.4 | 56% | 0.556 | 68% | 0.683 | S | S | * | * | trans | -68.2 | 87.3 | 169.1 | -93.8 | -11.3 | 0 | 0 | 0 | 109.8 | G6 R7 | D4-G6 PolarHBondContact O-N 3.38Å; D4-G6 VanDerWaalsContact O-N 3.1Å; D4-R7 HydrophobicContact CB-CG 4.19Å; D4-R7 PolarHBondContact O-N 2.71Å; D4-R7 IonicContact OD2-CZ 2.75Å; D4-R7 IonicContact OD2-NE 3.38Å; D4-R7 PolarHBondContact OD2-NE 2.79Å; D4-R7 VanDerWaalsContact OD2-NE 3.17Å; D4-R7 IonicContact OD2-NH2 3.43Å | ||
| 5 | I | 61.2 | Low | 52.7 | Low | 130 Ų | 130 | 117.8 Ų | 117.8 | 67% | 0.667 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -53.5 | -29.8 | 173.6 | -92.8 | 62.8 | 0 | 0 | 0 | 111.3 | G3 R7 I8 | G3-I5 VanDerWaalsContact C-N 3.31Å; G3-I5 VanDerWaalsContact O-CD1 3.29Å; G3-I5 WeakPolarHBondContact O-CD1 2.92Å; G3-I5 PolarHBondContact O-N 2.68Å; I5-R7 VanDerWaalsContact C-N 3.28Å; I5-R7 PolarHBondContact O-N 2.89Å; I5-I8 PolarHBondContact O-N 2.82Å |
| 6 | G | 60.3 | Low | 52.8 | Low | 71 Ų | 71 | 114.6 Ų | 114.6 | 73% | 0.732 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -72.5 | -2.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 117 | D4 | D4-G6 PolarHBondContact O-N 3.38Å; D4-G6 VanDerWaalsContact O-N 3.1Å |
| 7 | R | 55.6 | Low | 53.3 | Low | 207 Ų | 207 | 115.3 Ų | 115.3 | 78% | 0.781 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -100.4 | -8.2 | 174 | -65.4 | -175.1 | -166.3 | -115 | 2.4 | 114.1 | D4 I5 | D4-R7 HydrophobicContact CB-CG 4.19Å; D4-R7 PolarHBondContact O-N 2.71Å; D4-R7 IonicContact OD2-CZ 2.75Å; D4-R7 IonicContact OD2-NE 3.38Å; D4-R7 PolarHBondContact OD2-NE 2.79Å; D4-R7 VanDerWaalsContact OD2-NE 3.17Å; D4-R7 IonicContact OD2-NH2 3.43Å; I5-R7 VanDerWaalsContact C-N 3.28Å; I5-R7 PolarHBondContact O-N 2.89Å |
| 8 | I | 52.5 | Low | 53.7 | Low | 113 Ų | 113 | 115.8 Ų | 115.8 | 58% | 0.579 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -70.4 | 129.5 | 166.6 | -58.1 | 174.9 | 0 | 0 | 0 | 106.3 | I5 I10 | I5-I8 PolarHBondContact O-N 2.82Å; I8-I10 PolarHBondContact O-N 2.65Å |
| 9 | P | 51.4 | Low | 53.8 | Low | 108 Ų | 108 | 116.8 Ų | 116.8 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | trans | -62.7 | 105 | 170.9 | 26.4 | -32.6 | 0 | 0 | 0 | 107.8 | I11 | P9-I11 VanDerWaalsContact C-N 3.26Å; P9-I11 PolarHBondContact O-N 3.49Å | ||
| 10 | I | 53.7 | Low | 54.5 | Low | 127 Ų | 127 | 116 Ų | 116 | 65% | 0.651 | 66% | 0.66 | S | S | * | * | trans | -66.7 | 96.7 | 168.9 | -49.8 | 179.2 | 0 | 0 | 0 | 105.2 | I8 T12 | I8-I10 PolarHBondContact O-N 2.65Å; I10-T12 WeakPolarHBondContact CG2-OG1 3.15Å; I10-T12 PolarHBondContact O-N 3.08Å; I10-T12 PolarHBondContact O-OG1 2.8Å | ||
| 11 | I | 57.6 | Low | 55 | Low | 147 Ų | 147 | 114.4 Ų | 114.4 | 75% | 0.754 | 65% | 0.65 | S | S | * | * | trans | -68.6 | 70.4 | 161 | 48.8 | 162.9 | 0 | 0 | 0 | 107.5 | P9 L13 | P9-I11 VanDerWaalsContact C-N 3.26Å; P9-I11 PolarHBondContact O-N 3.49Å; I11-L13 PolarHBondContact O-N 2.89Å | ||
| 12 | T | 52.5 | Low | 56.1 | Low | 63 Ų | 63 | 106.6 Ų | 106.6 | 39% | 0.387 | 61% | 0.612 | S | S | . | * | trans | -50.8 | 141.1 | 179 | -58 | 0 | 0 | 0 | 0 | 108.2 | I10 S14 | I10-T12 WeakPolarHBondContact CG2-OG1 3.15Å; I10-T12 PolarHBondContact O-N 3.08Å; I10-T12 PolarHBondContact O-OG1 2.8Å; T12-S14 WeakPolarHBondContact CB-OG 3.39Å; T12-S14 PolarHBondContact O-N 2.81Å; T12-S14 PolarHBondContact O-OG 2.79Å | ||
| 13 | L | 51.1 | Low | 57 | Low | 130 Ų | 130 | 105.7 Ų | 105.7 | 68% | 0.681 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -63.5 | 9.6 | 178.2 | -68.2 | 168.4 | 0 | 0 | 0 | 113.6 | I11 G15 C16 | I11-L13 PolarHBondContact O-N 2.89Å; L13-G15 PolarHBondContact O-N 3.35Å; L13-C16 CarbonylContact O-C 3.37Å; L13-C16 WeakPolarHBondContact O-CA 3.17Å; L13-C16 VanDerWaalsContact O-CB 3.31Å; L13-C16 WeakPolarHBondContact O-CB 3.27Å; L13-C16 PolarHBondContact O-N 3.33Å |
| 14 | S | 52.5 | Low | 57.6 | Low | 82 Ų | 82 | 109.1 Ų | 109.1 | 57% | 0.573 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -64.2 | -9.4 | 170.3 | 52 | 0 | 0 | 0 | 0 | 114.9 | T12 | T12-S14 WeakPolarHBondContact CB-OG 3.39Å; T12-S14 PolarHBondContact O-N 2.81Å; T12-S14 PolarHBondContact O-OG 2.79Å |
| 15 | G | 54.6 | Low | 58.3 | Low | 81 Ų | 81 | 108.7 Ų | 108.7 | 84% | 0.835 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -83 | -17.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L13 | L13-G15 PolarHBondContact O-N 3.35Š|
| 16 | C | 54 | Low | 58.4 | Low | 67 Ų | 67 | 107.4 Ų | 107.4 | 45% | 0.453 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -93.4 | 157.1 | 165.2 | -58.9 | 0 | 0 | 0 | 0 | 108.6 | L13 | L13-C16 CarbonylContact O-C 3.37Å; L13-C16 WeakPolarHBondContact O-CA 3.17Å; L13-C16 VanDerWaalsContact O-CB 3.31Å; L13-C16 WeakPolarHBondContact O-CB 3.27Å; L13-C16 PolarHBondContact O-N 3.33Å |
| 17 | K | 60.4 | Low | 58.2 | Low | 126 Ų | 126 | 109.3 Ų | 109.3 | 55% | 0.548 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 139.3 | 155.7 | -72.6 | 179.3 | 176.2 | -176 | 0 | 107.3 | N21 I22 D25 | K17-N21 HydrophobicContact CB-CB 4.3Å; K17-I22 HydrophobicContact CB-CD1 4.01Å; K17-I22 HydrophobicContact CB-CG1 3.47Å; K17-I22 VanDerWaalsContact CB-CG1 3.47Å; K17-I22 HydrophobicContact CD-CG1 4.45Å; K17-I22 VanDerWaalsContact O-CD1 3.29Å; K17-I22 WeakPolarHBondContact O-CD1 3.45Å; K17-D25 WeakPolarHBondContact CD-OD2 3.43Å; K17-D25 WeakPolarHBondContact CE-OD2 3.29Å; K17-D25 IonicContact NZ-OD1 3.34Å; K17-D25 IonicContact NZ-OD2 3.61Å; K17-D25 PolarHBondContact NZ-OD2 3.03Å |
| 18 | Y | 61 | Low | 58.4 | Low | 124 Ų | 124 | 105.1 Ų | 105.1 | 49% | 0.486 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -52.6 | 146.8 | 173.1 | -74.2 | -83.6 | 0 | 0 | 0 | 109.7 | T20 N21 I22 | Y18-T20 PolarHBondContact O-N 3.34Å; Y18-T20 VanDerWaalsContact O-N 3.12Å; Y18-N21 WeakPolarHBondContact O-CA 3.44Å; Y18-N21 WeakPolarHBondContact O-CB 3.43Å; Y18-N21 PolarHBondContact O-N 2.98Å; Y18-I22 PolarHBondContact O-N 3.49Å |
| 19 | L | 55.7 | Low | 58.1 | Low | 135 Ų | 135 | 105.7 Ų | 105.7 | 71% | 0.707 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -54.8 | -37.8 | -179.1 | -149.5 | 86.2 | 0 | 0 | 0 | 111.3 | N21 I22 I23 | L19-N21 VanDerWaalsContact C-N 3.31Å; L19-N21 PolarHBondContact O-N 3.48Å; L19-I22 PolarHBondContact O-N 2.97Å; L19-I23 HydrophobicContact CD2-CD1 4.49Å; L19-I23 WeakPolarHBondContact O-CB 3.38Å; L19-I23 WeakPolarHBondContact O-CD1 3.48Å; L19-I23 VanDerWaalsContact O-CG1 3.22Å; L19-I23 WeakPolarHBondContact O-CG1 3.11Å; L19-I23 PolarHBondContact O-N 3.32Å |
| 20 | T | 68.6 | Low | 58.2 | Low | 100 Ų | 100 | 109.3 Ų | 109.3 | 61% | 0.613 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -58.6 | -34.8 | 172.6 | -34.7 | 0 | 0 | 0 | 0 | 114 | Y18 | Y18-T20 PolarHBondContact O-N 3.34Å; Y18-T20 VanDerWaalsContact O-N 3.12Å |
| 21 | N | 63.5 | Low | 57.4 | Low | 83 Ų | 83 | 106.4 Ų | 106.4 | 44% | 0.444 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -79.6 | -40.6 | 177.8 | -62.4 | 26.3 | 0 | 0 | 0 | 110.1 | K17 Y18 L19 I23 N24 D25 | K17-N21 HydrophobicContact CB-CB 4.3Å; Y18-N21 WeakPolarHBondContact O-CA 3.44Å; Y18-N21 WeakPolarHBondContact O-CB 3.43Å; Y18-N21 PolarHBondContact O-N 2.98Å; L19-N21 VanDerWaalsContact C-N 3.31Å; L19-N21 PolarHBondContact O-N 3.48Å; N21-I23 VanDerWaalsContact C-N 3.28Å; N21-I23 PolarHBondContact O-N 3.36Å; N21-N24 PolarHBondContact O-N 3.07Å; N21-D25 PolarHBondContact O-N 2.9Å |
| 22 | I | 64.5 | Low | 56.9 | Low | 60 Ų | 60 | 104.7 Ų | 104.7 | 31% | 0.308 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.5 | -36.5 | 174.7 | -61.2 | 177.3 | 0 | 0 | 0 | 110.8 | K17 Y18 L19 N24 D25 L26 | K17-I22 HydrophobicContact CB-CD1 4.01Å; K17-I22 HydrophobicContact CB-CG1 3.47Å; K17-I22 VanDerWaalsContact CB-CG1 3.47Å; K17-I22 HydrophobicContact CD-CG1 4.45Å; K17-I22 VanDerWaalsContact O-CD1 3.29Å; K17-I22 WeakPolarHBondContact O-CD1 3.45Å; Y18-I22 PolarHBondContact O-N 3.49Å; L19-I22 PolarHBondContact O-N 2.97Å; I22-N24 PolarHBondContact O-N 3.13Å; I22-D25 PolarHBondContact O-N 3.42Å; I22-D25 VanDerWaalsContact O-N 3.07Å; I22-L26 HydrophobicContact CG2-CD1 3.8Å; I22-L26 HydrophobicContact CG2-CG 3.83Å; I22-L26 WeakPolarHBondContact O-CB 3.45Å; I22-L26 VanDerWaalsContact O-CG 3.3Å; I22-L26 WeakPolarHBondContact O-CG 3.27Å; I22-L26 PolarHBondContact O-N 2.88Å |
| 23 | I | 63.1 | Low | 56.7 | Low | 100 Ų | 100 | 109.4 Ų | 109.4 | 51% | 0.513 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -57.6 | -29.9 | 176.6 | -80.9 | 164.1 | 0 | 0 | 0 | 112.9 | L19 N21 | L19-I23 HydrophobicContact CD2-CD1 4.49Å; L19-I23 WeakPolarHBondContact O-CB 3.38Å; L19-I23 WeakPolarHBondContact O-CD1 3.48Å; L19-I23 VanDerWaalsContact O-CG1 3.22Å; L19-I23 WeakPolarHBondContact O-CG1 3.11Å; L19-I23 PolarHBondContact O-N 3.32Å; N21-I23 VanDerWaalsContact C-N 3.28Å; N21-I23 PolarHBondContact O-N 3.36Å |
| 24 | N | 63.9 | Low | 56.6 | Low | 134 Ų | 134 | 107.4 Ų | 107.4 | 72% | 0.717 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -86.3 | -27.1 | 176.5 | -64.5 | -15.2 | 0 | 0 | 0 | 113 | N21 I22 | N21-N24 PolarHBondContact O-N 3.07Å; I22-N24 PolarHBondContact O-N 3.13Å |
| 25 | D | 65.7 | Low | 56.2 | Low | 95 Ų | 95 | 109.5 Ų | 109.5 | 51% | 0.508 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -83.7 | -21.8 | 177.3 | -65.9 | -32.2 | 0 | 0 | 0 | 113 | K17 N21 I22 | K17-D25 WeakPolarHBondContact CD-OD2 3.43Å; K17-D25 WeakPolarHBondContact CE-OD2 3.29Å; K17-D25 IonicContact NZ-OD1 3.34Å; K17-D25 IonicContact NZ-OD2 3.61Å; K17-D25 PolarHBondContact NZ-OD2 3.03Å; N21-D25 PolarHBondContact O-N 2.9Å; I22-D25 PolarHBondContact O-N 3.42Å; I22-D25 VanDerWaalsContact O-N 3.07Å |
| 26 | L | 64.4 | Low | 55.9 | Low | 102 Ų | 102 | 111.3 Ų | 111.3 | 53% | 0.534 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -70.7 | 138.2 | 178.2 | -81.1 | 168.6 | 0 | 0 | 0 | 110.7 | I22 L28 | I22-L26 HydrophobicContact CG2-CD1 3.8Å; I22-L26 HydrophobicContact CG2-CG 3.83Å; I22-L26 WeakPolarHBondContact O-CB 3.45Å; I22-L26 VanDerWaalsContact O-CG 3.3Å; I22-L26 WeakPolarHBondContact O-CG 3.27Å; I22-L26 PolarHBondContact O-N 2.88Å; L26-L28 PolarHBondContact O-N 2.94Å; L26-L28 VanDerWaalsContact O-N 3.16Å |
| 27 | P | 56 | Low | 55.6 | Low | 112 Ų | 112 | 113.7 Ų | 113.7 | 73% | 0.727 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 123 | 168.9 | 26.9 | -33 | 0 | 0 | 0 | 108.8 | ||
| 28 | L | 58.9 | Low | 54.9 | Low | 118 Ų | 118 | 113 Ų | 113 | 62% | 0.618 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 129.1 | 173.2 | -71.4 | 168.8 | 0 | 0 | 0 | 109.1 | L26 K30 | L26-L28 PolarHBondContact O-N 2.94Å; L26-L28 VanDerWaalsContact O-N 3.16Å; L28-K30 PolarHBondContact O-N 3Å |
| 29 | P | 47.9 | Very low | 54.3 | Low | 126 Ų | 126 | 114.5 Ų | 114.5 | 82% | 0.818 | 63% | 0.631 | S | S | * | * | trans | -62.5 | 105.6 | -173.5 | 24 | -33.5 | 0 | 0 | 0 | 109.8 | ||||
| 30 | K | 51.8 | Low | 54.1 | Low | 184 Ų | 184 | 110.8 Ų | 110.8 | 80% | 0.8 | 61% | 0.614 | S | S | * | * | trans | -61 | 138 | 177.4 | -68 | -175.6 | 179 | -179.9 | 0 | 109.4 | L28 T32 | L28-K30 PolarHBondContact O-N 3Å; K30-T32 VanDerWaalsContact C-N 3.33Å; K30-T32 PolarHBondContact O-N 2.63Å; K30-T32 PolarHBondContact O-OG1 2.75Å | ||
| 31 | S | 38.5 | Very low | 53.6 | Low | 66 Ų | 66 | 114.6 Ų | 114.6 | 46% | 0.462 | 63% | 0.63 | S | S | . | * | trans | -50 | 88.9 | 174 | 29.3 | 0 | 0 | 0 | 0 | 110.7 | N33 D81 | S31-N33 PolarHBondContact O-N 2.79Å; S31-D81 PolarHBondContact OG-OD2 3.37Å | ||
| 32 | T | 45.7 | Very low | 53.6 | Low | 110 Ų | 110 | 114.2 Ų | 114.2 | 68% | 0.675 | 63% | 0.628 | S | S | * | * | trans | -81.7 | 105.9 | -174 | -12.6 | 0 | 0 | 0 | 0 | 108.1 | K30 V34 | K30-T32 VanDerWaalsContact C-N 3.33Å; K30-T32 PolarHBondContact O-N 2.63Å; K30-T32 PolarHBondContact O-OG1 2.75Å; T32-V34 PolarHBondContact O-N 3.45Å | ||
| 33 | N | 48.2 | Very low | 53.5 | Low | 162 Ų | 162 | 119.7 Ų | 119.7 | 87% | 0.866 | 66% | 0.657 | S | S | * | * | trans | -69.2 | 26.2 | -177.5 | -71.7 | -55.3 | 0 | 0 | 0 | 114.5 | S31 | S31-N33 PolarHBondContact O-N 2.79Š| ||
| 34 | V | 50.3 | Low | 54.1 | Low | 89 Ų | 89 | 116.6 Ų | 116.6 | 54% | 0.539 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -105.8 | 118.7 | 176.5 | -177.5 | 0 | 0 | 0 | 0 | 107.7 | T32 I36 | T32-V34 PolarHBondContact O-N 3.45Å; V34-I36 HydrophobicContact CB-CG1 4.47Å; V34-I36 HydrophobicContact CG1-CG1 4.09Å; V34-I36 PolarHBondContact O-N 2.87Å |
| 35 | P | 43.4 | Very low | 54.6 | Low | 126 Ų | 126 | 116.7 Ų | 116.7 | 82% | 0.818 | 64% | 0.638 | S | S | * | * | trans | -75.5 | 69.4 | 177.4 | 31.9 | -35.4 | 0 | 0 | 0 | 110.9 | ||||
| 36 | I | 48.2 | Very low | 55.3 | Low | 118 Ų | 118 | 116.9 Ų | 116.9 | 61% | 0.605 | 63% | 0.634 | S | S | * | * | trans | -55.9 | 138.1 | 163 | -58.1 | 173.8 | 0 | 0 | 0 | 106.9 | V34 C38 | V34-I36 HydrophobicContact CB-CG1 4.47Å; V34-I36 HydrophobicContact CG1-CG1 4.09Å; V34-I36 PolarHBondContact O-N 2.87Å; I36-C38 PolarHBondContact O-N 3.03Å | ||
| 37 | K | 47.8 | Very low | 55.9 | Low | 117 Ų | 117 | 118.6 Ų | 118.6 | 51% | 0.509 | 64% | 0.638 | S | S | . | * | trans | -49.1 | 96.7 | -177.2 | -75.8 | -175.2 | 179.7 | -177.5 | 0 | 111.7 | H39 | K37-H39 VanDerWaalsContact C-N 3.33Å; K37-H39 PolarHBondContact O-N 2.97Å | ||
| 38 | C | 45.2 | Very low | 57 | Low | 112 Ų | 112 | 114.1 Ų | 114.1 | 76% | 0.757 | 61% | 0.61 | S | S | * | * | trans | -66.6 | 99.6 | 159 | -65.6 | 0 | 0 | 0 | 0 | 107 | I36 T40 | I36-C38 PolarHBondContact O-N 3.03Å; C38-T40 VanDerWaalsContact C-N 3.32Å; C38-T40 PolarHBondContact O-N 3.21Å; C38-T40 VanDerWaalsContact O-N 3.1Å | ||
| 39 | H | 48.8 | Very low | 57.9 | Low | 155 Ų | 155 | 113.9 Ų | 113.9 | 72% | 0.718 | 61% | 0.606 | S | S | * | * | trans | -51.3 | 113.6 | 136.1 | -56.9 | -71.9 | 0 | 0 | 0 | 104.9 | K37 | K37-H39 VanDerWaalsContact C-N 3.33Å; K37-H39 PolarHBondContact O-N 2.97Å | ||
| 40 | T | 52.3 | Low | 59.4 | Low | 57 Ų | 57 | 111.7 Ų | 111.7 | 35% | 0.35 | 59% | 0.585 | S | S | . | * | trans | -55.2 | 145.9 | 179 | 35.5 | 0 | 0 | 0 | 0 | 109.2 | C38 L42 A48 | C38-T40 VanDerWaalsContact C-N 3.32Å; C38-T40 PolarHBondContact O-N 3.21Å; C38-T40 VanDerWaalsContact O-N 3.1Å; T40-L42 CarbonylContact C-O 3.36Å; T40-L42 WeakPolarHBondContact CB-O 3.38Å; T40-L42 CarbonylContact O-C 3.54Å; T40-L42 PolarHBondContact O-N 3.29Å; T40-L42 PolarHBondContact OG1-O 3.35Å; T40-A48 HydrophobicContact CG2-CB 3.81Å; T40-A48 WeakPolarHBondContact OG1-CB 3.35Å | ||
| 41 | L | 58.5 | Low | 60.9 | Low | 180 Ų | 180 | 104.5 Ų | 104.5 | 94% | 0.942 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -58.8 | -19.7 | 170 | -60.5 | 176.1 | 0 | 0 | 0 | 111.3 | N43 | L41-N43 PolarHBondContact O-N 2.99Š|
| 42 | L | 63.6 | Low | 63 | Low | 76 Ų | 76 | 109.3 Ų | 109.3 | 40% | 0.398 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -72 | 107.5 | 161.3 | -46.4 | 171.9 | 0 | 0 | 0 | 108.9 | T40 D44 F47 A51 | T40-L42 CarbonylContact C-O 3.36Å; T40-L42 WeakPolarHBondContact CB-O 3.38Å; T40-L42 CarbonylContact O-C 3.54Å; T40-L42 PolarHBondContact O-N 3.29Å; T40-L42 PolarHBondContact OG1-O 3.35Å; L42-D44 PolarHBondContact O-N 2.65Å; L42-D44 VanDerWaalsContact O-N 3.15Å; L42-F47 HydrophobicContact CB-CB 4.13Å; L42-F47 HydrophobicContact CD1-CB 4.14Å; L42-F47 WeakPolarHBondContact CD1-O 3.13Å; L42-A51 HydrophobicContact CD1-CB 3.74Å |
| 43 | N | 60.7 | Low | 64.8 | Low | 174 Ų | 174 | 111.6 Ų | 111.6 | 93% | 0.93 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -63.2 | -14.9 | 179.2 | -73.9 | -45.8 | 0 | 0 | 0 | 114.3 | L41 | L41-N43 PolarHBondContact O-N 2.99Š|
| 44 | D | 76.2 | Confident | 66.4 | Low | 35 Ų | 35 | 106 Ų | 106 | 19% | 0.187 | 54% | 0.538 | C | S | . | . | S | Bend | trans | -105.6 | 134.4 | -176.4 | 167.3 | 33.7 | 0 | 0 | 0 | 111.7 | L42 K46 F47 A48 | L42-D44 PolarHBondContact O-N 2.65Å; L42-D44 VanDerWaalsContact O-N 3.15Å; D44-K46 VanDerWaalsContact C-N 3.3Å; D44-K46 VanDerWaalsContact CG-N 3.34Å; D44-K46 PolarHBondContact O-N 3.45Å; D44-K46 PolarHBondContact OD1-N 3.3Å; D44-K46 VanDerWaalsContact OD2-CB 3.27Å; D44-K46 WeakPolarHBondContact OD2-CB 3.17Å; D44-K46 PolarHBondContact OD2-N 2.83Å; D44-F47 HydrophobicContact CB-CD2 3.93Å; D44-F47 PolarHBondContact O-N 3.3Å; D44-F47 VanDerWaalsContact OD2-CD2 3.27Å; D44-F47 WeakPolarHBondContact OD2-CD2 3.14Å; D44-F47 PolarHBondContact OD2-N 2.89Å; D44-F47 VanDerWaalsContact OD2-N 3.14Å; D44-A48 WeakPolarHBondContact O-CB 3.27Å; D44-A48 PolarHBondContact O-N 2.91Å |
| 45 | Q | 75.5 | Confident | 68 | Low | 137 Ų | 137 | 105.5 Ų | 105.5 | 64% | 0.64 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.7 | -36 | 175.2 | -169.5 | 81.8 | 2.9 | 0 | 0 | 112.1 | A48 Q49 | Q45-A48 WeakPolarHBondContact O-CB 3.48Å; Q45-A48 PolarHBondContact O-N 2.68Å; Q45-Q49 WeakPolarHBondContact O-CB 3.4Å; Q45-Q49 VanDerWaalsContact O-CG 3.3Å; Q45-Q49 WeakPolarHBondContact O-CG 3.38Å; Q45-Q49 PolarHBondContact O-N 2.7Å |
| 46 | K | 78.6 | Confident | 70 | Confident | 99 Ų | 99 | 102.3 Ų | 102.3 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.2 | -51.2 | 179.3 | -47.3 | 163.5 | -176.9 | 165.9 | 0 | 110.1 | D44 A48 Q49 E50 | D44-K46 VanDerWaalsContact C-N 3.3Å; D44-K46 VanDerWaalsContact CG-N 3.34Å; D44-K46 PolarHBondContact O-N 3.45Å; D44-K46 PolarHBondContact OD1-N 3.3Å; D44-K46 VanDerWaalsContact OD2-CB 3.27Å; D44-K46 WeakPolarHBondContact OD2-CB 3.17Å; D44-K46 PolarHBondContact OD2-N 2.83Å; K46-A48 VanDerWaalsContact C-N 3.27Å; K46-A48 PolarHBondContact O-N 3.25Å; K46-Q49 PolarHBondContact O-N 3.34Å; K46-Q49 VanDerWaalsContact O-N 3.15Å; K46-E50 PolarHBondContact O-N 3.18Å |
| 47 | F | 78.7 | Confident | 71.4 | Confident | 138 Ų | 138 | 98.6 Ų | 98.6 | 61% | 0.605 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.6 | -34.3 | 174.6 | -71.4 | -52.6 | 0 | 0 | 0 | 112.8 | L42 D44 E50 A51 | L42-F47 HydrophobicContact CB-CB 4.13Å; L42-F47 HydrophobicContact CD1-CB 4.14Å; L42-F47 WeakPolarHBondContact CD1-O 3.13Å; D44-F47 HydrophobicContact CB-CD2 3.93Å; D44-F47 PolarHBondContact O-N 3.3Å; D44-F47 VanDerWaalsContact OD2-CD2 3.27Å; D44-F47 WeakPolarHBondContact OD2-CD2 3.14Å; D44-F47 PolarHBondContact OD2-N 2.89Å; D44-F47 VanDerWaalsContact OD2-N 3.14Å; F47-E50 PolarHBondContact O-N 2.85Å; F47-A51 VanDerWaalsContact O-CB 3.32Å; F47-A51 WeakPolarHBondContact O-CB 3.38Å; F47-A51 PolarHBondContact O-N 3.07Å |
| 48 | A | 77.3 | Confident | 72.9 | Confident | 18 Ų | 18 | 98.4 Ų | 98.4 | 15% | 0.149 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T40 D44 Q45 K46 Y52 | T40-A48 HydrophobicContact CG2-CB 3.81Å; T40-A48 WeakPolarHBondContact OG1-CB 3.35Å; D44-A48 WeakPolarHBondContact O-CB 3.27Å; D44-A48 PolarHBondContact O-N 2.91Å; Q45-A48 WeakPolarHBondContact O-CB 3.48Å; Q45-A48 PolarHBondContact O-N 2.68Å; K46-A48 VanDerWaalsContact C-N 3.27Å; K46-A48 PolarHBondContact O-N 3.25Å; A48-Y52 WeakPolarHBondContact O-CB 3.49Å; A48-Y52 PolarHBondContact O-N 3.2Å |
| 49 | Q | 79.4 | Confident | 74.7 | Confident | 112 Ų | 112 | 97 Ų | 97 | 52% | 0.523 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.1 | -39.8 | 175.8 | -73.5 | 171.1 | -17.9 | 0 | 0 | 111.8 | Q45 K46 Y52 R53 | Q45-Q49 WeakPolarHBondContact O-CB 3.4Å; Q45-Q49 VanDerWaalsContact O-CG 3.3Å; Q45-Q49 WeakPolarHBondContact O-CG 3.38Å; Q45-Q49 PolarHBondContact O-N 2.7Å; K46-Q49 PolarHBondContact O-N 3.34Å; K46-Q49 VanDerWaalsContact O-N 3.15Å; Q49-Y52 PolarHBondContact O-N 2.83Å; Q49-R53 WeakPolarHBondContact O-CG 3.5Å; Q49-R53 PolarHBondContact O-N 2.79Å |
| 50 | E | 79.6 | Confident | 76.4 | Confident | 80 Ų | 80 | 94.3 Ų | 94.3 | 37% | 0.374 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69 | -41.1 | 178.8 | -163.5 | 59.8 | -160.4 | 0 | 0 | 112.1 | K46 F47 Y52 R53 C54 | K46-E50 PolarHBondContact O-N 3.18Å; F47-E50 PolarHBondContact O-N 2.85Å; E50-Y52 VanDerWaalsContact C-N 3.3Å; E50-Y52 PolarHBondContact O-N 2.79Å; E50-R53 WeakPolarHBondContact O-CB 3.45Å; E50-R53 PolarHBondContact O-N 3.32Å; E50-R53 IonicContact OE1-CZ 3.92Å; E50-R53 IonicContact OE1-NH1 2.82Å; E50-R53 PolarHBondContact OE1-NH1 3.34Å; E50-R53 IonicContact OE2-CZ 3.78Å; E50-R53 IonicContact OE2-NH1 3.96Å; E50-R53 PolarHBondContact OE2-NH1 2.91Å; E50-C54 WeakPolarHBondContact O-CB 3.35Å; E50-C54 PolarHBondContact O-N 2.98Å; E50-C54 PolarHBondContact O-SG 3.34Å |
| 51 | A | 82.9 | Confident | 78 | Confident | 33 Ų | 33 | 95.1 Ų | 95.1 | 27% | 0.273 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L42 F47 C54 I55 | L42-A51 HydrophobicContact CD1-CB 3.74Å; F47-A51 VanDerWaalsContact O-CB 3.32Å; F47-A51 WeakPolarHBondContact O-CB 3.38Å; F47-A51 PolarHBondContact O-N 3.07Å; A51-C54 PolarHBondContact O-N 2.86Å; A51-I55 VanDerWaalsContact O-CB 3.31Å; A51-I55 WeakPolarHBondContact O-CB 3.18Å; A51-I55 WeakPolarHBondContact O-CD1 3.29Å; A51-I55 WeakPolarHBondContact O-CG1 3.46Å; A51-I55 PolarHBondContact O-N 3.26Å |
| 52 | Y | 82.4 | Confident | 79.3 | Confident | 168 Ų | 168 | 89.1 Ų | 89.1 | 66% | 0.659 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.7 | -35.9 | 176.4 | -167.3 | -98.7 | 0 | 0 | 0 | 112.9 | A48 Q49 E50 N56 | A48-Y52 WeakPolarHBondContact O-CB 3.49Å; A48-Y52 PolarHBondContact O-N 3.2Å; Q49-Y52 PolarHBondContact O-N 2.83Å; E50-Y52 VanDerWaalsContact C-N 3.3Å; E50-Y52 PolarHBondContact O-N 2.79Å; Y52-N56 WeakPolarHBondContact O-CB 3.33Å; Y52-N56 PolarHBondContact O-N 3.32Å; Y52-N56 PolarHBondContact O-ND2 2.8Å |
| 53 | R | 84.3 | Confident | 80.5 | Confident | 158 Ų | 158 | 85.6 Ų | 85.6 | 60% | 0.596 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.4 | -50.7 | 170.3 | -76.5 | -179 | 62.5 | -126.8 | -12.6 | 111.4 | Q49 E50 I55 N56 C57 | Q49-R53 WeakPolarHBondContact O-CG 3.5Å; Q49-R53 PolarHBondContact O-N 2.79Å; E50-R53 WeakPolarHBondContact O-CB 3.45Å; E50-R53 PolarHBondContact O-N 3.32Å; E50-R53 IonicContact OE1-CZ 3.92Å; E50-R53 IonicContact OE1-NH1 2.82Å; E50-R53 PolarHBondContact OE1-NH1 3.34Å; E50-R53 IonicContact OE2-CZ 3.78Å; E50-R53 IonicContact OE2-NH1 3.96Å; E50-R53 PolarHBondContact OE2-NH1 2.91Å; R53-I55 PolarHBondContact O-N 3.42Å; R53-N56 CarbonylContact O-C 3.2Å; R53-N56 VanDerWaalsContact O-C 3.32Å; R53-N56 PolarHBondContact O-N 2.81Å; R53-C57 WeakPolarHBondContact O-CB 3.28Å; R53-C57 PolarHBondContact O-N 2.92Å; R53-C57 VanDerWaalsContact O-N 3.1Å |
| 54 | C | 81.8 | Confident | 81.7 | Confident | 44 Ų | 44 | 79 Ų | 79 | 30% | 0.297 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.7 | -45.8 | -179.2 | -72.8 | 0 | 0 | 0 | 0 | 112.5 | E50 A51 N56 C57 L62 | E50-C54 WeakPolarHBondContact O-CB 3.35Å; E50-C54 PolarHBondContact O-N 2.98Å; E50-C54 PolarHBondContact O-SG 3.34Å; A51-C54 PolarHBondContact O-N 2.86Å; C54-N56 VanDerWaalsContact C-N 3.25Å; C54-N56 PolarHBondContact O-N 3.4Å; C54-C57 PolarHBondContact O-N 3.21Å; C54-C57 PolarHBondContact O-SG 2.8Å; C54-L62 HydrophobicContact CB-CD2 4.19Å |
| 55 | I | 83.9 | Confident | 82.2 | Confident | 78 Ų | 78 | 80.1 Ų | 80.1 | 40% | 0.4 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.6 | -31.4 | 178.5 | -72.8 | 166.4 | 0 | 0 | 0 | 111.8 | A51 R53 P94 L96 | A51-I55 VanDerWaalsContact O-CB 3.31Å; A51-I55 WeakPolarHBondContact O-CB 3.18Å; A51-I55 WeakPolarHBondContact O-CD1 3.29Å; A51-I55 WeakPolarHBondContact O-CG1 3.46Å; A51-I55 PolarHBondContact O-N 3.26Å; R53-I55 PolarHBondContact O-N 3.42Å; I55-P94 HydrophobicContact CG2-CB 3.54Å; I55-P94 HydrophobicContact CG2-CG 3.86Å; I55-P94 VanDerWaalsContact O-CB 3.31Å; I55-P94 WeakPolarHBondContact O-CB 3.4Å; I55-L96 WeakPolarHBondContact O-CB 3.34Å; I55-L96 PolarHBondContact O-N 2.92Å; I55-L96 VanDerWaalsContact O-N 3.12Å |
| 56 | N | 83.8 | Confident | 82.8 | Confident | 60 Ų | 60 | 76.2 Ų | 76.2 | 32% | 0.321 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 25.2 | 177.7 | -63 | -59 | 0 | 0 | 0 | 113.4 | Y52 R53 C54 | Y52-N56 WeakPolarHBondContact O-CB 3.33Å; Y52-N56 PolarHBondContact O-N 3.32Å; Y52-N56 PolarHBondContact O-ND2 2.8Å; R53-N56 CarbonylContact O-C 3.2Å; R53-N56 VanDerWaalsContact O-C 3.32Å; R53-N56 PolarHBondContact O-N 2.81Å; C54-N56 VanDerWaalsContact C-N 3.25Å; C54-N56 PolarHBondContact O-N 3.4Å |
| 57 | C | 78.6 | Confident | 83.1 | Confident | 40 Ų | 40 | 73.3 Ų | 73.3 | 27% | 0.27 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -122.6 | 153.4 | 172.9 | 84.4 | 0 | 0 | 0 | 0 | 112.3 | R53 C54 N59 | R53-C57 WeakPolarHBondContact O-CB 3.28Å; R53-C57 PolarHBondContact O-N 2.92Å; R53-C57 VanDerWaalsContact O-N 3.1Å; C54-C57 PolarHBondContact O-N 3.21Å; C54-C57 PolarHBondContact O-SG 2.8Å; C57-N59 PolarHBondContact O-N 2.87Å |
| 58 | Q | 78 | Confident | 83.5 | Confident | 112 Ų | 112 | 74.4 Ų | 74.4 | 52% | 0.523 | 39% | 0.392 | S | S | . | . | trans | -99.9 | 48.1 | -179.5 | -162.5 | 167.5 | 13.4 | 0 | 0 | 110.9 | E60 A99 | Q58-E60 PolarHBondContact O-N 3.1Å; Q58-E60 VanDerWaalsContact O-N 3.11Å; Q58-A99 HydrophobicContact CG-CB 4.04Å | ||
| 59 | N | 83.5 | Confident | 83.8 | Confident | 82 Ų | 82 | 75.9 Ų | 75.9 | 44% | 0.439 | 40% | 0.404 | S | S | . | . | trans | -75.8 | 99.7 | -176.7 | 179.9 | -11 | 0 | 0 | 0 | 111 | C57 A61 L62 V63 | C57-N59 PolarHBondContact O-N 2.87Å; N59-A61 PolarHBondContact O-N 3.22Å; N59-A61 VanDerWaalsContact O-N 3.13Å; N59-A61 WeakPolarHBondContact OD1-CB 3.45Å; N59-A61 PolarHBondContact OD1-N 3.47Å; N59-L62 HydrophobicContact CB-CB 3.97Å; N59-L62 WeakPolarHBondContact O-CA 3.36Å; N59-L62 WeakPolarHBondContact O-CB 3.33Å; N59-L62 PolarHBondContact O-N 3.14Å; N59-L62 PolarHBondContact OD1-N 2.98Å; N59-V63 WeakPolarHBondContact O-CG2 3.39Å; N59-V63 PolarHBondContact O-N 3.03Å | ||
| 60 | E | 84.8 | Confident | 83.9 | Confident | 99 Ų | 99 | 73.3 Ų | 73.3 | 46% | 0.463 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -48.7 | -36.2 | 177.4 | -75.4 | -73.9 | 122.4 | 0 | 0 | 114.3 | Q58 V63 G64 K103 | Q58-E60 PolarHBondContact O-N 3.1Å; Q58-E60 VanDerWaalsContact O-N 3.11Å; E60-V63 PolarHBondContact O-N 2.73Å; E60-G64 PolarHBondContact O-N 2.8Å; E60-K103 WeakPolarHBondContact OE1-CE 3.02Å; E60-K103 IonicContact OE1-NZ 2.66Å; E60-K103 PolarHBondContact OE1-NZ 3.23Å; E60-K103 IonicContact OE2-NZ 2.66Å; E60-K103 PolarHBondContact OE2-NZ 2.92Å |
| 61 | A | 85.1 | Confident | 83.9 | Confident | 75 Ų | 75 | 72.8 Ų | 72.8 | 62% | 0.62 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -71.9 | -36.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N59 A65 | N59-A61 PolarHBondContact O-N 3.22Å; N59-A61 VanDerWaalsContact O-N 3.13Å; N59-A61 WeakPolarHBondContact OD1-CB 3.45Å; N59-A61 PolarHBondContact OD1-N 3.47Å; A61-A65 VanDerWaalsContact O-CB 3.31Å; A61-A65 WeakPolarHBondContact O-CB 3.38Å; A61-A65 PolarHBondContact O-N 3.29Å |
| 62 | L | 86.8 | Confident | 83.6 | Confident | 53 Ų | 53 | 75.8 Ų | 75.8 | 28% | 0.277 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.8 | -42.2 | 172.8 | -179 | 61.6 | 0 | 0 | 0 | 111 | C54 N59 A65 L66 L96 | C54-L62 HydrophobicContact CB-CD2 4.19Å; N59-L62 HydrophobicContact CB-CB 3.97Å; N59-L62 WeakPolarHBondContact O-CA 3.36Å; N59-L62 WeakPolarHBondContact O-CB 3.33Å; N59-L62 PolarHBondContact O-N 3.14Å; N59-L62 PolarHBondContact OD1-N 2.98Å; L62-A65 PolarHBondContact O-N 3.44Å; L62-L66 HydrophobicContact CD1-CD1 4.32Å; L62-L66 HydrophobicContact CD1-CG 4.42Å; L62-L66 HydrophobicContact CG-CD1 4.07Å; L62-L66 WeakPolarHBondContact O-CB 3.27Å; L62-L66 VanDerWaalsContact O-CG 3.3Å; L62-L66 WeakPolarHBondContact O-CG 3.13Å; L62-L66 PolarHBondContact O-N 3.34Å; L62-L96 HydrophobicContact CD2-CD1 3.88Å; L62-L96 HydrophobicContact CD2-CD2 3.91Å; L62-L96 HydrophobicContact CG-CD1 4.09Å |
| 63 | V | 87.8 | Confident | 83 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.012 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 174.8 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | N59 E60 A65 L66 I67 L96 A99 K103 | N59-V63 WeakPolarHBondContact O-CG2 3.39Å; N59-V63 PolarHBondContact O-N 3.03Å; E60-V63 PolarHBondContact O-N 2.73Å; V63-A65 PolarHBondContact O-N 3.26Å; V63-L66 PolarHBondContact O-N 2.83Å; V63-I67 HydrophobicContact CG1-CD1 3.69Å; V63-I67 HydrophobicContact CG1-CG1 4.39Å; V63-I67 VanDerWaalsContact O-CG1 3.25Å; V63-I67 WeakPolarHBondContact O-CG1 3.27Å; V63-I67 PolarHBondContact O-N 3.08Å; V63-L96 HydrophobicContact CG2-CD1 3.7Å; V63-A99 HydrophobicContact CG2-CB 3.73Å; V63-K103 HydrophobicContact CG1-CB 4.47Å; V63-K103 HydrophobicContact CG1-CG 3.96Å |
| 64 | G | 86.6 | Confident | 81.7 | Confident | 37 Ų | 37 | 70.9 Ų | 70.9 | 38% | 0.381 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E60 K68 | E60-G64 PolarHBondContact O-N 2.8Å; G64-K68 WeakPolarHBondContact O-CB 3.19Å; G64-K68 PolarHBondContact O-N 2.98Å |
| 65 | A | 87.1 | Confident | 80.4 | Confident | 57 Ų | 57 | 73.5 Ų | 73.5 | 47% | 0.471 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A61 L62 V63 K68 A69 | A61-A65 VanDerWaalsContact O-CB 3.31Å; A61-A65 WeakPolarHBondContact O-CB 3.38Å; A61-A65 PolarHBondContact O-N 3.29Å; L62-A65 PolarHBondContact O-N 3.44Å; V63-A65 PolarHBondContact O-N 3.26Å; A65-K68 PolarHBondContact O-N 3.06Å; A65-A69 VanDerWaalsContact O-CB 3.29Å; A65-A69 WeakPolarHBondContact O-CB 3.06Å; A65-A69 PolarHBondContact O-N 3.41Å |
| 66 | L | 87.4 | Confident | 78.9 | Confident | 56 Ų | 56 | 76.6 Ų | 76.6 | 29% | 0.293 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.1 | -44.7 | 176.2 | -74 | 167.9 | 0 | 0 | 0 | 111.9 | L62 V63 K68 A69 I70 L96 L100 | L62-L66 HydrophobicContact CD1-CD1 4.32Å; L62-L66 HydrophobicContact CD1-CG 4.42Å; L62-L66 HydrophobicContact CG-CD1 4.07Å; L62-L66 WeakPolarHBondContact O-CB 3.27Å; L62-L66 VanDerWaalsContact O-CG 3.3Å; L62-L66 WeakPolarHBondContact O-CG 3.13Å; L62-L66 PolarHBondContact O-N 3.34Å; V63-L66 PolarHBondContact O-N 2.83Å; L66-K68 VanDerWaalsContact C-N 3.31Å; L66-K68 PolarHBondContact O-N 2.89Å; L66-A69 PolarHBondContact O-N 2.63Å; L66-I70 HydrophobicContact CB-CD1 4.47Å; L66-I70 WeakPolarHBondContact O-CB 3.48Å; L66-I70 VanDerWaalsContact O-CG1 3.27Å; L66-I70 WeakPolarHBondContact O-CG1 3.41Å; L66-I70 PolarHBondContact O-N 3.45Å; L66-L96 HydrophobicContact CD1-CD1 4.14Å; L66-L96 HydrophobicContact CD1-CD2 3.93Å; L66-L96 HydrophobicContact CD1-CG 4.17Å; L66-L100 HydrophobicContact CB-CD1 3.72Å |
| 67 | I | 86.3 | Confident | 77.4 | Confident | 38 Ų | 38 | 78 Ų | 78 | 20% | 0.195 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -57.1 | -47.6 | 175 | -68.8 | 164.5 | 0 | 0 | 0 | 110 | V63 S71 L100 K103 K104 I107 | V63-I67 HydrophobicContact CG1-CD1 3.69Å; V63-I67 HydrophobicContact CG1-CG1 4.39Å; V63-I67 VanDerWaalsContact O-CG1 3.25Å; V63-I67 WeakPolarHBondContact O-CG1 3.27Å; V63-I67 PolarHBondContact O-N 3.08Å; I67-S71 WeakPolarHBondContact O-CB 3.5Å; I67-S71 PolarHBondContact O-N 2.77Å; I67-S71 PolarHBondContact O-OG 3.31Å; I67-L100 HydrophobicContact CG1-CD1 3.86Å; I67-K103 HydrophobicContact CD1-CB 3.51Å; I67-K103 HydrophobicContact CD1-CG 4.23Å; I67-K104 HydrophobicContact CG2-CD 4.29Å; I67-I107 HydrophobicContact CB-CD1 4.35Å; I67-I107 HydrophobicContact CG1-CD1 3.98Å |
| 68 | K | 85.5 | Confident | 75.9 | Confident | 161 Ų | 161 | 84.7 Ų | 84.7 | 70% | 0.7 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.8 | -48.3 | 177.4 | -172.5 | 171.9 | -177.4 | 174.1 | 0 | 111.7 | G64 A65 L66 S71 S72 | G64-K68 WeakPolarHBondContact O-CB 3.19Å; G64-K68 PolarHBondContact O-N 2.98Å; A65-K68 PolarHBondContact O-N 3.06Å; L66-K68 VanDerWaalsContact C-N 3.31Å; L66-K68 PolarHBondContact O-N 2.89Å; K68-S71 WeakPolarHBondContact CA-OG 3.36Å; K68-S71 PolarHBondContact O-N 2.88Å; K68-S71 PolarHBondContact O-OG 3.43Å; K68-S72 PolarHBondContact O-N 3.37Å; K68-S72 PolarHBondContact O-OG 3.44Å |
| 69 | A | 85.1 | Confident | 74.5 | Confident | 49 Ų | 49 | 85.2 Ų | 85.2 | 41% | 0.405 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.3 | -52.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A65 L66 S71 S72 | A65-A69 VanDerWaalsContact O-CB 3.29Å; A65-A69 WeakPolarHBondContact O-CB 3.06Å; A65-A69 PolarHBondContact O-N 3.41Å; L66-A69 PolarHBondContact O-N 2.63Å; A69-S71 VanDerWaalsContact C-N 3.31Å; A69-S71 PolarHBondContact O-N 3.08Å; A69-S72 PolarHBondContact O-N 2.84Å; A69-S72 PolarHBondContact O-OG 3.29Å |
| 70 | I | 80.3 | Confident | 72.7 | Confident | 58 Ų | 58 | 89.5 Ų | 89.5 | 30% | 0.297 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 180 | -60.1 | 162 | 0 | 0 | 0 | 110.3 | L66 S72 V73 L100 I107 | L66-I70 HydrophobicContact CB-CD1 4.47Å; L66-I70 WeakPolarHBondContact O-CB 3.48Å; L66-I70 VanDerWaalsContact O-CG1 3.27Å; L66-I70 WeakPolarHBondContact O-CG1 3.41Å; L66-I70 PolarHBondContact O-N 3.45Å; I70-S72 PolarHBondContact O-N 3.43Å; I70-S72 VanDerWaalsContact O-N 3.15Å; I70-V73 PolarHBondContact O-N 3.21Å; I70-L100 HydrophobicContact CD1-CD1 4.44Å; I70-L100 HydrophobicContact CD1-CD2 4.04Å; I70-I107 HydrophobicContact CB-CD1 4.09Å; I70-I107 HydrophobicContact CB-CG1 4.18Å; I70-I107 HydrophobicContact CD1-CD1 3.94Å; I70-I107 HydrophobicContact CD1-CG1 4.4Å; I70-I107 HydrophobicContact CG2-CD1 4.22Å; I70-I107 HydrophobicContact CG2-CG1 3.74Å |
| 71 | S | 79.7 | Confident | 70.7 | Confident | 68 Ų | 68 | 89.1 Ų | 89.1 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -11.4 | 174.5 | 73.8 | 0 | 0 | 0 | 0 | 115.2 | I67 K68 A69 | I67-S71 WeakPolarHBondContact O-CB 3.5Å; I67-S71 PolarHBondContact O-N 2.77Å; I67-S71 PolarHBondContact O-OG 3.31Å; K68-S71 WeakPolarHBondContact CA-OG 3.36Å; K68-S71 PolarHBondContact O-N 2.88Å; K68-S71 PolarHBondContact O-OG 3.43Å; A69-S71 VanDerWaalsContact C-N 3.31Å; A69-S71 PolarHBondContact O-N 3.08Å |
| 72 | S | 76.2 | Confident | 68.6 | Low | 96 Ų | 96 | 95.5 Ų | 95.5 | 67% | 0.671 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 2.5 | 177.1 | 67.7 | 0 | 0 | 0 | 0 | 114 | K68 A69 I70 | K68-S72 PolarHBondContact O-N 3.37Å; K68-S72 PolarHBondContact O-OG 3.44Å; A69-S72 PolarHBondContact O-N 2.84Å; A69-S72 PolarHBondContact O-OG 3.29Å; I70-S72 PolarHBondContact O-N 3.43Å; I70-S72 VanDerWaalsContact O-N 3.15Å |
| 73 | V | 70.6 | Confident | 66.5 | Low | 86 Ų | 86 | 97 Ų | 97 | 52% | 0.521 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -102.6 | 134.5 | 173.9 | -176 | 0 | 0 | 0 | 0 | 108.7 | I70 | I70-V73 PolarHBondContact O-N 3.21Š|
| 74 | N | 55.9 | Low | 64.6 | Low | 137 Ų | 137 | 101 Ų | 101 | 73% | 0.733 | 55% | 0.55 | S | S | * | * | trans | -64.5 | 139.4 | 172.9 | -82.6 | -6.7 | 0 | 0 | 0 | 110.4 | D76 | N74-D76 PolarHBondContact O-N 3.13Š| ||
| 75 | N | 55.8 | Low | 62.4 | Low | 99 Ų | 99 | 107.2 Ų | 107.2 | 53% | 0.529 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -77.6 | 35.9 | -164.2 | -56.5 | -70.3 | 0 | 0 | 0 | 115.3 | V77 | N75-V77 PolarHBondContact O-N 2.97Š|
| 76 | D | 51 | Low | 60.5 | Low | 143 Ų | 143 | 112.5 Ų | 112.5 | 77% | 0.765 | 58% | 0.584 | S | S | * | * | trans | -74.8 | 3.3 | 176.5 | -67.3 | -38.9 | 0 | 0 | 0 | 113.3 | N74 Q78 | N74-D76 PolarHBondContact O-N 3.13Å; D76-Q78 VanDerWaalsContact C-N 3.25Å; D76-Q78 PolarHBondContact O-N 3.42Å | ||
| 77 | V | 52.9 | Low | 58.5 | Low | 91 Ų | 91 | 115.2 Ų | 115.2 | 55% | 0.552 | 60% | 0.603 | S | S | * | * | trans | -76.8 | 73.1 | 176.6 | -170.2 | 0 | 0 | 0 | 0 | 110.4 | N75 F79 | N75-V77 PolarHBondContact O-N 2.97Å; V77-F79 HydrophobicContact CG1-CE2 4.06Å; V77-F79 HydrophobicContact CG1-CZ 4.17Å; V77-F79 PolarHBondContact O-N 3.29Å | ||
| 78 | Q | 47 | Very low | 56.7 | Low | 179 Ų | 179 | 116.4 Ų | 116.4 | 84% | 0.836 | 61% | 0.609 | S | S | * | * | trans | -71.9 | 105.9 | 171.7 | -66.6 | -172.5 | 9.8 | 0 | 0 | 110.8 | D76 K80 | D76-Q78 VanDerWaalsContact C-N 3.25Å; D76-Q78 PolarHBondContact O-N 3.42Å; Q78-K80 PolarHBondContact O-N 2.99Å | ||
| 79 | F | 48.3 | Very low | 54.9 | Low | 123 Ų | 123 | 116.4 Ų | 116.4 | 54% | 0.539 | 62% | 0.617 | S | S | . | * | trans | -66.6 | 115.9 | 165.7 | -69.9 | -81.3 | 0 | 0 | 0 | 109.4 | V77 D81 L108 | V77-F79 HydrophobicContact CG1-CE2 4.06Å; V77-F79 HydrophobicContact CG1-CZ 4.17Å; V77-F79 PolarHBondContact O-N 3.29Å; F79-D81 PolarHBondContact O-N 3.29Å; F79-L108 HydrophobicContact CE2-CD2 4.38Å | ||
| 80 | K | 46.5 | Very low | 53.1 | Low | 172 Ų | 172 | 117 Ų | 117 | 75% | 0.748 | 62% | 0.617 | S | S | * | * | trans | -77 | -7.4 | -173.5 | -161.8 | 165 | -179.7 | 173 | 0 | 113.9 | Q78 K82 | Q78-K80 PolarHBondContact O-N 2.99Å; K80-K82 PolarHBondContact O-N 2.9Å | ||
| 81 | D | 41.8 | Very low | 52.1 | Low | 92 Ų | 92 | 119.5 Ų | 119.5 | 49% | 0.492 | 64% | 0.637 | S | S | . | * | trans | -85.9 | 97.7 | 175 | -74.9 | -33.3 | 0 | 0 | 0 | 110.7 | S31 F79 S83 | S31-D81 PolarHBondContact OG-OD2 3.37Å; F79-D81 PolarHBondContact O-N 3.29Å; D81-S83 PolarHBondContact O-N 3.03Å | ||
| 82 | K | 42.6 | Very low | 51.3 | Low | 208 Ų | 208 | 122 Ų | 122 | 90% | 0.904 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 43.4 | 178.1 | -59.5 | -173.9 | 177.1 | -172.9 | 0 | 114.1 | K80 | K80-K82 PolarHBondContact O-N 2.9Š|
| 83 | S | 43 | Very low | 50.9 | Low | 86 Ų | 86 | 118.4 Ų | 118.4 | 60% | 0.601 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.5 | -1.1 | -178.9 | 57.4 | 0 | 0 | 0 | 0 | 113.9 | D81 E85 | D81-S83 PolarHBondContact O-N 3.03Å; S83-E85 PolarHBondContact O-N 3.08Å |
| 84 | L | 46.6 | Very low | 51.4 | Low | 85 Ų | 85 | 116.4 Ų | 116.4 | 45% | 0.445 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82 | 16.3 | -173.4 | -152.8 | 74.9 | 0 | 0 | 0 | 114.8 | I88 | L84-I88 HydrophobicContact CD1-CD1 4.2Å; L84-I88 HydrophobicContact CG-CD1 4.11Å |
| 85 | E | 40.8 | Very low | 52.7 | Low | 167 Ų | 167 | 113.3 Ų | 113.3 | 78% | 0.78 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -25.3 | -176.6 | -73.8 | -178.1 | 117.5 | 0 | 0 | 114.2 | S83 | S83-E85 PolarHBondContact O-N 3.08Š|
| 86 | H | 47.8 | Very low | 54.2 | Low | 169 Ų | 169 | 109.6 Ų | 109.6 | 78% | 0.782 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -142.5 | 29.3 | -166.3 | -63.1 | -42.6 | 0 | 0 | 0 | 117 | ||
| 87 | T | 44.4 | Very low | 55.8 | Low | 112 Ų | 112 | 105.8 Ų | 105.8 | 69% | 0.687 | 56% | 0.556 | S | S | * | * | trans | -150.8 | 29.5 | -174.2 | -19.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 88 | I | 48.9 | Very low | 57.3 | Low | 63 Ų | 63 | 105.9 Ų | 105.9 | 32% | 0.323 | 55% | 0.546 | S | S | . | . | trans | -93.8 | 10.7 | -178.6 | -30.5 | -176.1 | 0 | 0 | 0 | 114.3 | L84 C90 L97 L101 | L84-I88 HydrophobicContact CD1-CD1 4.2Å; L84-I88 HydrophobicContact CG-CD1 4.11Å; I88-C90 PolarHBondContact O-N 2.92Å; I88-C90 VanDerWaalsContact O-N 3.15Å; I88-L97 HydrophobicContact CG2-CD2 4.24Å; I88-L101 HydrophobicContact CB-CD1 4.41Å; I88-L101 HydrophobicContact CD1-CD1 4.05Å; I88-L101 HydrophobicContact CG2-CD1 3.83Å | ||
| 89 | D | 48.5 | Very low | 59.1 | Low | 162 Ų | 162 | 97.4 Ų | 97.4 | 87% | 0.866 | 51% | 0.506 | S | S | * | . | trans | -77.3 | 10.7 | 172.6 | -62.8 | -54.5 | 0 | 0 | 0 | 114 | P91 | D89-P91 WeakPolarHBondContact O-CD 3.37Š| ||
| 90 | C | 46.7 | Very low | 60.9 | Low | 61 Ų | 61 | 92.1 Ų | 92.1 | 41% | 0.412 | 48% | 0.484 | S | S | . | . | trans | -66.2 | 124 | -176.6 | -171.4 | 0 | 0 | 0 | 0 | 111.5 | I88 T92 S93 | I88-C90 PolarHBondContact O-N 2.92Å; I88-C90 VanDerWaalsContact O-N 3.15Å; C90-T92 PolarHBondContact O-N 3.38Å; C90-T92 PolarHBondContact SG-OG1 2.9Å; C90-T92 VanDerWaalsContact SG-OG1 3.35Å; C90-S93 WeakPolarHBondContact O-CB 3.47Å; C90-S93 PolarHBondContact O-N 3.04Å; C90-S93 PolarHBondContact O-OG 3.32Å | ||
| 91 | P | 58.9 | Low | 62.7 | Low | 110 Ų | 110 | 85.6 Ų | 85.6 | 71% | 0.714 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -3.4 | 178.2 | 28 | -35.6 | 0 | 0 | 0 | 113.9 | D89 R98 | D89-P91 WeakPolarHBondContact O-CD 3.37Å; P91-R98 PolarHBondContact O-NH2 3.11Å |
| 92 | T | 62.7 | Low | 64.7 | Low | 122 Ų | 122 | 87.8 Ų | 87.8 | 75% | 0.748 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -7 | 174.5 | -33.5 | 0 | 0 | 0 | 0 | 113.3 | C90 | C90-T92 PolarHBondContact O-N 3.38Å; C90-T92 PolarHBondContact SG-OG1 2.9Å; C90-T92 VanDerWaalsContact SG-OG1 3.35Å |
| 93 | S | 68.6 | Low | 66.6 | Low | 19 Ų | 19 | 82.8 Ų | 82.8 | 13% | 0.133 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -70.9 | 145.8 | 178 | 57.7 | 0 | 0 | 0 | 0 | 112.2 | C90 R98 | C90-S93 WeakPolarHBondContact O-CB 3.47Å; C90-S93 PolarHBondContact O-N 3.04Å; C90-S93 PolarHBondContact O-OG 3.32Å; S93-R98 PolarHBondContact O-NE 3.48Å; S93-R98 PolarHBondContact O-NH2 3.09Å; S93-R98 PolarHBondContact OG-NE 3.48Å; S93-R98 PolarHBondContact OG-NH2 2.93Å |
| 94 | P | 80.2 | Confident | 68.5 | Low | 44 Ų | 44 | 82 Ų | 82 | 29% | 0.286 | 43% | 0.428 | S | S | . | . | trans | -66 | 146.6 | -178.5 | -21.1 | 32.9 | 0 | 0 | 0 | 113.8 | I55 L96 L97 R98 | I55-P94 HydrophobicContact CG2-CB 3.54Å; I55-P94 HydrophobicContact CG2-CG 3.86Å; I55-P94 VanDerWaalsContact O-CB 3.31Å; I55-P94 WeakPolarHBondContact O-CB 3.4Å; P94-L96 VanDerWaalsContact C-N 3.28Å; P94-L96 PolarHBondContact O-N 2.92Å; P94-L97 HydrophobicContact CB-CB 4.44Å; P94-L97 WeakPolarHBondContact O-CB 3.48Å; P94-L97 PolarHBondContact O-N 2.81Å; P94-R98 PolarHBondContact O-N 3.2Å; P94-R98 VanDerWaalsContact O-N 3.15Å | ||
| 95 | L | 83.4 | Confident | 70 | Confident | 72 Ų | 72 | 82.4 Ų | 82.4 | 38% | 0.377 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.5 | -35.6 | -178.8 | -64.1 | -175.3 | 0 | 0 | 0 | 112.9 | L97 R98 A99 | L95-L97 VanDerWaalsContact C-N 3.3Å; L95-L97 PolarHBondContact O-N 2.87Å; L95-R98 PolarHBondContact O-N 2.91Å; L95-A99 PolarHBondContact O-N 3.17Å |
| 96 | L | 87.8 | Confident | 71.6 | Confident | 22 Ų | 22 | 78 Ų | 78 | 12% | 0.115 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64.6 | -34.8 | 175.8 | -173.2 | 65.6 | 0 | 0 | 0 | 112.3 | I55 L62 V63 L66 P94 L100 | I55-L96 WeakPolarHBondContact O-CB 3.34Å; I55-L96 PolarHBondContact O-N 2.92Å; I55-L96 VanDerWaalsContact O-N 3.12Å; L62-L96 HydrophobicContact CD2-CD1 3.88Å; L62-L96 HydrophobicContact CD2-CD2 3.91Å; L62-L96 HydrophobicContact CG-CD1 4.09Å; V63-L96 HydrophobicContact CG2-CD1 3.7Å; L66-L96 HydrophobicContact CD1-CD1 4.14Å; L66-L96 HydrophobicContact CD1-CD2 3.93Å; L66-L96 HydrophobicContact CD1-CG 4.17Å; P94-L96 VanDerWaalsContact C-N 3.28Å; P94-L96 PolarHBondContact O-N 2.92Å; L96-L100 WeakPolarHBondContact O-CB 3.42Å; L96-L100 PolarHBondContact O-N 2.79Å |
| 97 | L | 84.4 | Confident | 72.7 | Confident | 62 Ų | 62 | 70.5 Ų | 70.5 | 33% | 0.325 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.2 | -44.3 | 176.8 | -170.6 | 86 | 0 | 0 | 0 | 110.8 | I88 P94 L95 L100 L101 | I88-L97 HydrophobicContact CG2-CD2 4.24Å; P94-L97 HydrophobicContact CB-CB 4.44Å; P94-L97 WeakPolarHBondContact O-CB 3.48Å; P94-L97 PolarHBondContact O-N 2.81Å; L95-L97 VanDerWaalsContact C-N 3.3Å; L95-L97 PolarHBondContact O-N 2.87Å; L97-L100 WeakPolarHBondContact O-CB 3.19Å; L97-L100 PolarHBondContact O-N 2.98Å; L97-L101 HydrophobicContact CD2-CD1 4.4Å; L97-L101 HydrophobicContact CG-CD1 4.21Å; L97-L101 WeakPolarHBondContact O-CG 3.44Å; L97-L101 PolarHBondContact O-N 3.35Å |
| 98 | R | 85 | Confident | 73.7 | Confident | 94 Ų | 94 | 67.8 Ų | 67.8 | 36% | 0.355 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.7 | -49.3 | 176.9 | -63.2 | -174.1 | -157.5 | 168.6 | 14.1 | 110.9 | P91 S93 P94 L95 L100 L101 E102 | P91-R98 PolarHBondContact O-NH2 3.11Å; S93-R98 PolarHBondContact O-NE 3.48Å; S93-R98 PolarHBondContact O-NH2 3.09Å; S93-R98 PolarHBondContact OG-NE 3.48Å; S93-R98 PolarHBondContact OG-NH2 2.93Å; P94-R98 PolarHBondContact O-N 3.2Å; P94-R98 VanDerWaalsContact O-N 3.15Å; L95-R98 PolarHBondContact O-N 2.91Å; R98-L100 VanDerWaalsContact C-N 3.28Å; R98-L100 PolarHBondContact O-N 3.47Å; R98-L101 PolarHBondContact O-N 3.01Å; R98-E102 VanDerWaalsContact O-CB 3.22Å; R98-E102 WeakPolarHBondContact O-CB 3.49Å; R98-E102 PolarHBondContact O-N 3.16Å |
| 99 | A | 84.9 | Confident | 74 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.1 | -33.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q58 V63 L95 K103 | Q58-A99 HydrophobicContact CG-CB 4.04Å; V63-A99 HydrophobicContact CG2-CB 3.73Å; L95-A99 PolarHBondContact O-N 3.17Å; A99-K103 WeakPolarHBondContact O-CB 3.47Å; A99-K103 WeakPolarHBondContact O-CG 3.41Å; A99-K103 PolarHBondContact O-N 2.93Å |
| 100 | L | 85.9 | Confident | 73.8 | Confident | 13 Ų | 13 | 62.7 Ų | 62.7 | 7% | 0.068 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 174.4 | -164.1 | 83.6 | 0 | 0 | 0 | 111.8 | L66 I67 I70 L96 L97 R98 K104 I107 | L66-L100 HydrophobicContact CB-CD1 3.72Å; I67-L100 HydrophobicContact CG1-CD1 3.86Å; I70-L100 HydrophobicContact CD1-CD1 4.44Å; I70-L100 HydrophobicContact CD1-CD2 4.04Å; L96-L100 WeakPolarHBondContact O-CB 3.42Å; L96-L100 PolarHBondContact O-N 2.79Å; L97-L100 WeakPolarHBondContact O-CB 3.19Å; L97-L100 PolarHBondContact O-N 2.98Å; R98-L100 VanDerWaalsContact C-N 3.28Å; R98-L100 PolarHBondContact O-N 3.47Å; L100-K104 PolarHBondContact O-N 3.09Å; L100-K104 VanDerWaalsContact O-N 3.08Å; L100-I107 HydrophobicContact CD1-CD1 4.03Å; L100-I107 HydrophobicContact CD2-CD1 4.16Å; L100-I107 HydrophobicContact CD2-CG2 3.96Å; L100-I107 HydrophobicContact CG-CD1 3.98Å; L100-I107 HydrophobicContact CG-CG2 4.15Å |
| 101 | L | 82.8 | Confident | 73.6 | Confident | 34 Ų | 34 | 65.7 Ų | 65.7 | 18% | 0.178 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -71.9 | -40.6 | -179.5 | -70.2 | 173.6 | 0 | 0 | 0 | 112.5 | I88 L97 R98 K103 K104 P105 I107 L108 | I88-L101 HydrophobicContact CB-CD1 4.41Å; I88-L101 HydrophobicContact CD1-CD1 4.05Å; I88-L101 HydrophobicContact CG2-CD1 3.83Å; L97-L101 HydrophobicContact CD2-CD1 4.4Å; L97-L101 HydrophobicContact CG-CD1 4.21Å; L97-L101 WeakPolarHBondContact O-CG 3.44Å; L97-L101 PolarHBondContact O-N 3.35Å; R98-L101 PolarHBondContact O-N 3.01Å; L101-K103 VanDerWaalsContact C-N 3.29Å; L101-K103 PolarHBondContact O-N 3.19Å; L101-K104 CarbonylContact O-C 3.58Å; L101-K104 PolarHBondContact O-N 3.31Å; L101-P105 WeakPolarHBondContact O-CA 3.24Å; L101-P105 WeakPolarHBondContact O-CD 3.17Å; L101-I107 HydrophobicContact CD2-CG2 4.25Å; L101-L108 HydrophobicContact CD2-CD1 4.13Å; L101-L108 HydrophobicContact CD2-CG 4.33Å |
| 102 | E | 84.4 | Confident | 72.3 | Confident | 139 Ų | 139 | 66.7 Ų | 66.7 | 65% | 0.65 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -57.5 | -40.4 | 174.7 | -177.7 | -175.4 | -178.8 | 0 | 0 | 111.7 | R98 | R98-E102 VanDerWaalsContact O-CB 3.22Å; R98-E102 WeakPolarHBondContact O-CB 3.49Å; R98-E102 PolarHBondContact O-N 3.16Å |
| 103 | K | 83 | Confident | 70.8 | Confident | 102 Ų | 102 | 64.8 Ų | 64.8 | 44% | 0.443 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -81.2 | -26.5 | 178.7 | -62.2 | -79.6 | 173 | 163.8 | 0 | 113.3 | E60 V63 I67 A99 L101 | E60-K103 WeakPolarHBondContact OE1-CE 3.02Å; E60-K103 IonicContact OE1-NZ 2.66Å; E60-K103 PolarHBondContact OE1-NZ 3.23Å; E60-K103 IonicContact OE2-NZ 2.66Å; E60-K103 PolarHBondContact OE2-NZ 2.92Å; V63-K103 HydrophobicContact CG1-CB 4.47Å; V63-K103 HydrophobicContact CG1-CG 3.96Å; I67-K103 HydrophobicContact CD1-CB 3.51Å; I67-K103 HydrophobicContact CD1-CG 4.23Å; A99-K103 WeakPolarHBondContact O-CB 3.47Å; A99-K103 WeakPolarHBondContact O-CG 3.41Å; A99-K103 PolarHBondContact O-N 2.93Å; L101-K103 VanDerWaalsContact C-N 3.29Å; L101-K103 PolarHBondContact O-N 3.19Å |
| 104 | K | 83.7 | Confident | 69.1 | Low | 70 Ų | 70 | 69.2 Ų | 69.2 | 30% | 0.304 | 37% | 0.374 | S | S | . | . | trans | -157.3 | 90.7 | 179.2 | -170.5 | 179.6 | 172.6 | -173.3 | 0 | 111.4 | I67 L100 L101 D106 I107 | I67-K104 HydrophobicContact CG2-CD 4.29Å; L100-K104 PolarHBondContact O-N 3.09Å; L100-K104 VanDerWaalsContact O-N 3.08Å; L101-K104 CarbonylContact O-C 3.58Å; L101-K104 PolarHBondContact O-N 3.31Å; K104-D106 VanDerWaalsContact C-N 3.3Å; K104-D106 HydrophobicContact CG-CB 4.46Å; K104-D106 PolarHBondContact O-N 2.74Å; K104-I107 HydrophobicContact CB-CB 4.11Å; K104-I107 HydrophobicContact CD-CB 3.89Å; K104-I107 HydrophobicContact CD-CD1 4.18Å; K104-I107 HydrophobicContact CD-CG1 4.06Å; K104-I107 HydrophobicContact CG-CB 3.92Å; K104-I107 VanDerWaalsContact O-CB 3.25Å; K104-I107 WeakPolarHBondContact O-CB 3.26Å; K104-I107 WeakPolarHBondContact O-CG2 3.2Å; K104-I107 PolarHBondContact O-N 2.83Å; K104-I107 VanDerWaalsContact O-N 3.1Å | ||
| 105 | P | 76.4 | Confident | 66.7 | Low | 93 Ų | 93 | 73.3 Ų | 73.3 | 60% | 0.604 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -62.7 | -38.1 | -179.7 | 23.1 | -33.1 | 0 | 0 | 0 | 112 | L101 I107 | L101-P105 WeakPolarHBondContact O-CA 3.24Å; L101-P105 WeakPolarHBondContact O-CD 3.17Å; P105-I107 PolarHBondContact O-N 2.87Å |
| 106 | D | 75.5 | Confident | 64.3 | Low | 76 Ų | 76 | 78 Ų | 78 | 41% | 0.406 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -58.5 | -9.3 | 174.7 | -71 | 29.6 | 0 | 0 | 0 | 115.1 | K104 L108 S109 K111 | K104-D106 VanDerWaalsContact C-N 3.3Å; K104-D106 HydrophobicContact CG-CB 4.46Å; K104-D106 PolarHBondContact O-N 2.74Å; D106-L108 VanDerWaalsContact C-N 3.29Å; D106-L108 PolarHBondContact O-N 3.17Å; D106-S109 PolarHBondContact O-N 3.22Å; D106-S109 VanDerWaalsContact O-N 3.14Å; D106-K111 WeakPolarHBondContact OD2-CE 3.33Å; D106-K111 IonicContact OD2-NZ 3.65Å; D106-K111 PolarHBondContact OD2-NZ 3.01Å |
| 107 | I | 71.3 | Confident | 61.6 | Low | 11 Ų | 11 | 81.9 Ų | 81.9 | 6% | 0.056 | 45% | 0.446 | C | S | . | . | G | 310 helix | trans | -68.4 | -24.5 | -167.7 | -158.5 | 167.8 | 0 | 0 | 0 | 114.6 | I67 I70 L100 L101 K104 P105 | I67-I107 HydrophobicContact CB-CD1 4.35Å; I67-I107 HydrophobicContact CG1-CD1 3.98Å; I70-I107 HydrophobicContact CB-CD1 4.09Å; I70-I107 HydrophobicContact CB-CG1 4.18Å; I70-I107 HydrophobicContact CD1-CD1 3.94Å; I70-I107 HydrophobicContact CD1-CG1 4.4Å; I70-I107 HydrophobicContact CG2-CD1 4.22Å; I70-I107 HydrophobicContact CG2-CG1 3.74Å; L100-I107 HydrophobicContact CD1-CD1 4.03Å; L100-I107 HydrophobicContact CD2-CD1 4.16Å; L100-I107 HydrophobicContact CD2-CG2 3.96Å; L100-I107 HydrophobicContact CG-CD1 3.98Å; L100-I107 HydrophobicContact CG-CG2 4.15Å; L101-I107 HydrophobicContact CD2-CG2 4.25Å; K104-I107 HydrophobicContact CB-CB 4.11Å; K104-I107 HydrophobicContact CD-CB 3.89Å; K104-I107 HydrophobicContact CD-CD1 4.18Å; K104-I107 HydrophobicContact CD-CG1 4.06Å; K104-I107 HydrophobicContact CG-CB 3.92Å; K104-I107 VanDerWaalsContact O-CB 3.25Å; K104-I107 WeakPolarHBondContact O-CB 3.26Å; K104-I107 WeakPolarHBondContact O-CG2 3.2Å; K104-I107 PolarHBondContact O-N 2.83Å; K104-I107 VanDerWaalsContact O-N 3.1Å; P105-I107 PolarHBondContact O-N 2.87Å |
| 108 | L | 64.8 | Low | 58.9 | Low | 55 Ų | 55 | 88 Ų | 88 | 29% | 0.288 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -105.9 | -6.2 | 172.9 | -56 | -177.3 | 0 | 0 | 0 | 112.5 | F79 L101 D106 G110 | F79-L108 HydrophobicContact CE2-CD2 4.38Å; L101-L108 HydrophobicContact CD2-CD1 4.13Å; L101-L108 HydrophobicContact CD2-CG 4.33Å; D106-L108 VanDerWaalsContact C-N 3.29Å; D106-L108 PolarHBondContact O-N 3.17Å; L108-G110 PolarHBondContact O-N 2.67Å |
| 109 | S | 54.8 | Low | 56.2 | Low | 74 Ų | 74 | 92.4 Ų | 92.4 | 52% | 0.517 | 49% | 0.49 | S | S | . | . | trans | -84.2 | 95.7 | -180 | -171.5 | 0 | 0 | 0 | 0 | 109.6 | D106 K111 | D106-S109 PolarHBondContact O-N 3.22Å; D106-S109 VanDerWaalsContact O-N 3.14Å; S109-K111 PolarHBondContact O-N 2.82Å | ||
| 110 | G | 44.8 | Very low | 53.6 | Low | 44 Ų | 44 | 99.6 Ų | 99.6 | 45% | 0.454 | 53% | 0.527 | S | S | . | . | trans | -60.5 | 95.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | L108 V112 | L108-G110 PolarHBondContact O-N 2.67Å; G110-V112 PolarHBondContact O-N 3.09Å; G110-V112 VanDerWaalsContact O-N 3.17Å | ||
| 111 | K | 42.3 | Very low | 50.8 | Low | 124 Ų | 124 | 107.1 Ų | 107.1 | 54% | 0.539 | 56% | 0.562 | S | S | . | * | trans | -59.3 | 122 | -179.2 | -65.5 | -165.9 | 177.4 | -168.6 | 0 | 109.5 | D106 S109 S113 | D106-K111 WeakPolarHBondContact OD2-CE 3.33Å; D106-K111 IonicContact OD2-NZ 3.65Å; D106-K111 PolarHBondContact OD2-NZ 3.01Å; S109-K111 PolarHBondContact O-N 2.82Å; K111-S113 PolarHBondContact O-N 3.36Å | ||
| 112 | V | 31.4 | Very low | 48.3 | Very low | 131 Ų | 131 | 109.3 Ų | 109.3 | 79% | 0.794 | 59% | 0.592 | S | S | * | * | trans | -69.8 | 77.2 | 172.6 | -175.8 | 0 | 0 | 0 | 0 | 108.4 | G110 Q114 | G110-V112 PolarHBondContact O-N 3.09Å; G110-V112 VanDerWaalsContact O-N 3.17Å; V112-Q114 PolarHBondContact O-N 3.4Å | ||
| 113 | S | 31.3 | Very low | 45.7 | Very low | 82 Ų | 82 | 109.8 Ų | 109.8 | 57% | 0.573 | 60% | 0.599 | S | S | * | * | trans | -68.4 | 97.6 | 176.1 | -78.8 | 0 | 0 | 0 | 0 | 109.3 | K111 N115 | K111-S113 PolarHBondContact O-N 3.36Å; S113-N115 PolarHBondContact O-N 3Å | ||
| 114 | Q | 33.3 | Very low | 43.3 | Very low | 111 Ų | 111 | 110.7 Ų | 110.7 | 52% | 0.519 | 62% | 0.615 | S | S | . | * | trans | -67.3 | 36.8 | 174.7 | -61.6 | 180 | -20.5 | 0 | 0 | 113.1 | V112 I116 S117 | V112-Q114 PolarHBondContact O-N 3.4Å; Q114-I116 VanDerWaalsContact C-N 3.29Å; Q114-I116 PolarHBondContact O-N 3.43Å; Q114-S117 PolarHBondContact O-N 2.88Å | ||
| 115 | N | 29.8 | Very low | 40.7 | Very low | 131 Ų | 131 | 112.3 Ų | 112.3 | 70% | 0.701 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 22.5 | -165.9 | -68.6 | 4.2 | 0 | 0 | 0 | 113.5 | S113 | S113-N115 PolarHBondContact O-N 3Š|
| 116 | I | 32.9 | Very low | 38.8 | Very low | 169 Ų | 169 | 115.2 Ų | 115.2 | 87% | 0.867 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | -9.2 | 168.3 | -54.5 | -179 | 0 | 0 | 0 | 110.8 | Q114 | Q114-I116 VanDerWaalsContact C-N 3.29Å; Q114-I116 PolarHBondContact O-N 3.43Å |
| 117 | S | 30.2 | Very low | 36.8 | Very low | 104 Ų | 104 | 116.3 Ų | 116.3 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -99.9 | 20.3 | 179.7 | -51.3 | 0 | 0 | 0 | 0 | 113.6 | Q114 | Q114-S117 PolarHBondContact O-N 2.88Š|
| 118 | R | 27.8 | Very low | 34.8 | Very low | 191 Ų | 191 | 122.9 Ų | 122.9 | 72% | 0.721 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -143.8 | 33.1 | -176.1 | -59.5 | -170.7 | -168.4 | 175.8 | 7.7 | 114.2 | ||
| 119 | E | 28.2 | Very low | 33.2 | Very low | 187 Ų | 187 | 127.2 Ų | 127.2 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -135.4 | 38 | 166.3 | -152.1 | 178.4 | 159.6 | 0 | 0 | 112 | ||
| 120 | L | 30.3 | Very low | 32.1 | Very low | 150 Ų | 150 | 129.4 Ų | 129.4 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -152.5 | 171.8 | 160.8 | -133.4 | 69.4 | 0 | 0 | 0 | 107.4 | ||
| 121 | E | 27.4 | Very low | 31.5 | Very low | 172 Ų | 172 | 132 Ų | 132 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | 65.4 | 62.9 | -174.2 | -56.1 | -45.4 | 113.4 | 0 | 0 | 116.6 | ||||
| 122 | G | 30.1 | Very low | 31.1 | Very low | 79 Ų | 79 | 137.6 Ų | 137.6 | 81% | 0.814 | 76% | 0.757 | S | S | * | * | trans | -104.2 | 84.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 123 | L | 29.7 | Very low | 31 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | 15 | 131.7 | 148.1 | -154.1 | 65.6 | 0 | 0 | 0 | 118 | ||||
| 124 | P | 33.4 | Very low | 31.4 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | cis | -141.3 | 160.2 | 45.1 | 37.5 | -17.7 | 0 | 0 | 0 | 119.5 | ||||
| 125 | T | 29.7 | Very low | 31.3 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 64% | 0.638 | 78% | 0.78 | S | S | * | * | trans | -59.8 | 150.2 | 166.9 | 47 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 126 | N | 35 | Very low | 31.5 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | 178.2 | 130.1 | 116.8 | -89.9 | -29.6 | 0 | 0 | 0 | 114.4 | |||||
| 127 | A | 35 | Very low | 31.4 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | 58.8 | 161.1 | 148.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 128 | L | 27.7 | Very low | 31.4 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | cis | -174.7 | 144.7 | -32.5 | -175.4 | 73.9 | 0 | 0 | 0 | 107.9 | ||||
| 129 | L | 31.2 | Very low | 31.6 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 63.8 | 160.9 | 172.9 | -97.6 | 87.9 | 0 | 0 | 0 | 116.4 | ||||
| 130 | V | 32.5 | Very low | 31.7 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | cis | -169.9 | 157.1 | -40.8 | 118.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 131 | S | 32.6 | Very low | 32 | Very low | 98 Ų | 98 | 140.3 Ų | 140.3 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | 69.8 | 109.1 | 160.1 | -84.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 132 | R | 32.6 | Very low | 32.3 | Very low | 243 Ų | 243 | 136.7 Ų | 136.7 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | 72.2 | 113.7 | 107.7 | -168.4 | 179.5 | -174.1 | 150.8 | 0.7 | 120.4 | |||||
| 133 | G | 31 | Very low | 32.6 | Very low | 74 Ų | 74 | 139.9 Ų | 139.9 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | 140.8 | 108.1 | 152.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 134 | P | 38.9 | Very low | 32.7 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | -102.3 | 142 | -176.8 | 36.5 | -31.8 | 0 | 0 | 0 | 114.5 | ||||
| 135 | A | 30.5 | Very low | 32.9 | Very low | 89 Ų | 89 | 145 Ų | 145 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -159.7 | 126.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 136 | I | 33.7 | Very low | 33 | Very low | 148 Ų | 148 | 150 Ų | 150 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | 64.8 | 97.8 | 131.8 | -57.8 | 174.6 | 0 | 0 | 0 | 119.4 | ||||
| 137 | N | 32 | Very low | 32.9 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | 60.7 | 150.2 | 126.2 | -66.6 | -31 | 0 | 0 | 0 | 124.2 | |||||
| 138 | R | 30.4 | Very low | 32.9 | Very low | 230 Ų | 230 | 153.4 Ų | 153.4 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | 74 | 146.2 | 151.4 | -82.2 | 178.9 | -174.2 | -170.8 | 3.2 | 116.9 | ||||
| 139 | L | 31.1 | Very low | 33.3 | Very low | 136 Ų | 136 | 156 Ų | 156 | 71% | 0.712 | 81% | 0.812 | S | S | * | * | cis | -151.1 | 170.2 | -7.4 | -172.8 | 56.1 | 0 | 0 | 0 | 110.3 | ||||
| 140 | R | 30.5 | Very low | 33.5 | Very low | 221 Ų | 221 | 154.5 Ų | 154.5 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -36.4 | 147.7 | 158.2 | -50.6 | 168.3 | -177.5 | 164.2 | -1.3 | 111.4 | ||||
| 141 | T | 37.3 | Very low | 33.5 | Very low | 142 Ų | 142 | 158.7 Ų | 158.7 | 87% | 0.871 | 82% | 0.82 | S | S | * | * | -144.8 | 164.4 | 72.8 | 39.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 142 | A | 34.1 | Very low | 33.3 | Very low | 95 Ų | 95 | 158.2 Ų | 158.2 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | trans | -109.5 | 154.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 143 | D | 36 | Very low | 33.4 | Very low | 147 Ų | 147 | 150 Ų | 150 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | trans | -147.5 | 168.8 | 142.6 | -144.1 | -19.6 | 0 | 0 | 0 | 111.8 | ||||
| 144 | K | 32 | Very low | 33.4 | Very low | 179 Ų | 179 | 152.6 Ų | 152.6 | 78% | 0.778 | 83% | 0.828 | S | S | * | * | trans | -94 | 157.4 | -172.5 | -49.6 | 130.1 | -177.1 | 163.7 | 0 | 110.6 | ||||
| 145 | Q | 37.9 | Very low | 33.1 | Very low | 197 Ų | 197 | 153.3 Ų | 153.3 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | -161.2 | 162.7 | 120.6 | -111.2 | 171.2 | 54.4 | 0 | 0 | 113.4 | |||||
| 146 | K | 30.2 | Very low | 33.2 | Very low | 209 Ų | 209 | 154.6 Ų | 154.6 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | -94.3 | 138.7 | 180 | -64.8 | 173.1 | 177.4 | 173.8 | 0 | 110.2 | ||||
| 147 | S | 34 | Very low | 33 | Very low | 125 Ų | 125 | 158.5 Ų | 158.5 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -141.2 | 163.9 | 153.2 | -163.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 148 | K | 35.8 | Very low | 33.1 | Very low | 202 Ų | 202 | 158.7 Ų | 158.7 | 88% | 0.878 | 83% | 0.829 | S | S | * | * | trans | -101.2 | 152.1 | -155.4 | -63.7 | 171.4 | 179.4 | 172.5 | 0 | 113.9 | ||||
| 149 | K | 34.7 | Very low | 33.3 | Very low | 202 Ų | 202 | 152.8 Ų | 152.8 | 88% | 0.878 | 83% | 0.829 | S | S | * | * | trans | -42 | 150.5 | 161 | -98.5 | 179 | 177 | -179.5 | 0 | 113 | ||||
| 150 | P | 36.5 | Very low | 33.5 | Very low | 115 Ų | 115 | 152.2 Ų | 152.2 | 75% | 0.747 | 83% | 0.832 | S | S | * | * | -145.1 | 151.7 | 87 | 38.8 | -23.1 | 0 | 0 | 0 | 118.6 | |||||
| 151 | K | 31 | Very low | 33.5 | Very low | 208 Ų | 208 | 147.1 Ų | 147.1 | 90% | 0.904 | 83% | 0.83 | S | S | * | * | trans | 29.1 | 130.9 | 145 | -60 | -176.1 | 175.9 | -173.4 | 0 | 121.6 | ||||
| 152 | G | 30.1 | Very low | 33.4 | Very low | 87 Ų | 87 | 146.4 Ų | 146.4 | 90% | 0.897 | 83% | 0.825 | S | S | * | * | trans | 129.8 | 102.6 | 141.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 153 | G | 33.7 | Very low | 33.3 | Very low | 72 Ų | 72 | 145.2 Ų | 145.2 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | 170.8 | 129 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 154 | S | 31.4 | Very low | 33.4 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | -66 | 141.6 | -178.7 | -170 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 155 | I | 32 | Very low | 33.6 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 76% | 0.759 | 82% | 0.819 | S | S | * | * | trans | -128.6 | 127.6 | 170.4 | -63.4 | -179.6 | 0 | 0 | 0 | 108.3 | ||||
| 156 | T | 33 | Very low | 33.5 | Very low | 116 Ų | 116 | 143 Ų | 143 | 71% | 0.712 | 82% | 0.815 | S | S | * | * | trans | -73.6 | 140.7 | 177 | 32.8 | 0 | 0 | 0 | 0 | 112 | N158 | T156-N158 PolarHBondContact O-N 3.44Å; T156-N158 VanDerWaalsContact O-N 3.16Å | ||
| 157 | Y | 30 | Very low | 33.8 | Very low | 231 Ų | 231 | 140.3 Ų | 140.3 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -77.7 | 97.9 | 177.3 | -73.7 | -82.3 | 0 | 0 | 0 | 111.5 | ||||
| 158 | N | 33 | Very low | 34 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | -77.5 | 154.3 | 162 | -76.7 | -25.1 | 0 | 0 | 0 | 110.8 | T156 | T156-N158 PolarHBondContact O-N 3.44Å; T156-N158 VanDerWaalsContact O-N 3.16Å | ||
| 159 | A | 35.6 | Very low | 34 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | trans | -57.6 | 136.7 | -162.2 | 0 | 0 | 0 | 0 | 0 | 115 | S161 | A159-S161 PolarHBondContact O-N 2.98Š| ||
| 160 | V | 35.3 | Very low | 34.1 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 76% | 0.758 | 79% | 0.794 | S | S | * | * | trans | -72.1 | 114 | 179 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | V162 | V160-V162 PolarHBondContact O-N 3.49Å; V160-V162 VanDerWaalsContact O-N 3.13Å | ||
| 161 | S | 29.4 | Very low | 34.2 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -63.6 | 108.5 | 161.6 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | A159 A163 | A159-S161 PolarHBondContact O-N 2.98Å; S161-A163 PolarHBondContact O-N 3.2Å | ||
| 162 | V | 35.1 | Very low | 34.3 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -73.6 | 92.8 | 177.7 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | V160 | V160-V162 PolarHBondContact O-N 3.49Å; V160-V162 VanDerWaalsContact O-N 3.13Å | ||
| 163 | A | 33 | Very low | 34.3 | Very low | 71 Ų | 71 | 137.8 Ų | 137.8 | 59% | 0.587 | 79% | 0.788 | S | S | * | * | trans | -57.4 | 138.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | S161 L165 | S161-A163 PolarHBondContact O-N 3.2Å; A163-L165 PolarHBondContact O-N 3.43Å | ||
| 164 | P | 37.5 | Very low | 34.3 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | -61.5 | 122.9 | -176.5 | 23.8 | -33.5 | 0 | 0 | 0 | 111 | K166 | P164-K166 PolarHBondContact O-N 3.43Š| ||
| 165 | L | 36.5 | Very low | 34.5 | Very low | 160 Ų | 160 | 139 Ų | 139 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -60.5 | 101.6 | -177.3 | -80.7 | 167.6 | 0 | 0 | 0 | 111.2 | A163 I167 | A163-L165 PolarHBondContact O-N 3.43Å; L165-I167 VanDerWaalsContact C-N 3.33Å; L165-I167 PolarHBondContact O-N 2.93Å | ||
| 166 | K | 35.8 | Very low | 34.7 | Very low | 192 Ų | 192 | 141.7 Ų | 141.7 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -77.5 | 79.2 | -178.2 | -168.7 | 172.7 | -176.2 | 173 | 0 | 110.8 | P164 S168 | P164-K166 PolarHBondContact O-N 3.43Å; K166-S168 VanDerWaalsContact C-N 3.31Å; K166-S168 PolarHBondContact O-N 3.06Å | ||
| 167 | I | 37.2 | Very low | 34.7 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -63.7 | 89.2 | 176.7 | -53.1 | 177 | 0 | 0 | 0 | 109.5 | L165 I169 | L165-I167 VanDerWaalsContact C-N 3.33Å; L165-I167 PolarHBondContact O-N 2.93Å; I167-I169 PolarHBondContact O-N 2.91Å | ||
| 168 | S | 37.2 | Very low | 34.8 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -83.2 | 98.5 | 177.6 | 42.3 | 0 | 0 | 0 | 0 | 109.6 | K166 K170 | K166-S168 VanDerWaalsContact C-N 3.31Å; K166-S168 PolarHBondContact O-N 3.06Å; S168-K170 VanDerWaalsContact C-N 3.31Å; S168-K170 PolarHBondContact O-N 3.22Å | ||
| 169 | I | 36 | Very low | 34.8 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 80% | 0.795 | 79% | 0.791 | S | S | * | * | trans | -65.3 | 92.8 | 175.1 | -57.3 | 178.4 | 0 | 0 | 0 | 108.7 | I167 K171 | I167-I169 PolarHBondContact O-N 2.91Å; I169-K171 PolarHBondContact O-N 3.28Å | ||
| 170 | K | 37.4 | Very low | 34.7 | Very low | 189 Ų | 189 | 145.4 Ų | 145.4 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -69.7 | 88.2 | -176.1 | -172.1 | 178.5 | -176.1 | 178.5 | 0 | 110.5 | S168 T172 | S168-K170 VanDerWaalsContact C-N 3.31Å; S168-K170 PolarHBondContact O-N 3.22Å; K170-T172 PolarHBondContact O-N 2.72Å; K170-T172 VanDerWaalsContact O-N 3.08Å | ||
| 171 | K | 37.2 | Very low | 34.4 | Very low | 196 Ų | 196 | 144.6 Ų | 144.6 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | trans | -53 | 116.4 | 171 | -79.1 | -174.7 | 175.5 | 178.4 | 0 | 109.7 | I169 C173 | I169-K171 PolarHBondContact O-N 3.28Å; K171-C173 VanDerWaalsContact C-N 3.34Å; K171-C173 PolarHBondContact O-N 3.09Å | ||
| 172 | T | 33 | Very low | 34.7 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -73.8 | 82.9 | 180 | 35.6 | 0 | 0 | 0 | 0 | 110.7 | K170 T174 | K170-T172 PolarHBondContact O-N 2.72Å; K170-T172 VanDerWaalsContact O-N 3.08Å; T172-T174 PolarHBondContact O-N 3.4Å | ||
| 173 | C | 30.5 | Very low | 34.5 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -68.3 | 111.5 | 170.7 | -170.3 | 0 | 0 | 0 | 0 | 109.9 | K171 S175 | K171-C173 VanDerWaalsContact C-N 3.34Å; K171-C173 PolarHBondContact O-N 3.09Å; C173-S175 VanDerWaalsContact C-N 3.3Å; C173-S175 PolarHBondContact O-N 3.19Å | ||
| 174 | T | 33.8 | Very low | 34.4 | Very low | 129 Ų | 129 | 144.3 Ų | 144.3 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -78.5 | 76 | 177.1 | 55 | 0 | 0 | 0 | 0 | 110.7 | T172 K176 | T172-T174 PolarHBondContact O-N 3.4Å; T174-K176 PolarHBondContact O-N 3.44Å | ||
| 175 | S | 35.6 | Very low | 34.2 | Very low | 97 Ų | 97 | 148.1 Ų | 148.1 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | -68.9 | 114.1 | 175.3 | 49.6 | 0 | 0 | 0 | 0 | 110.9 | C173 I177 | C173-S175 VanDerWaalsContact C-N 3.3Å; C173-S175 PolarHBondContact O-N 3.19Å; S175-I177 PolarHBondContact O-N 3.08Å; S175-I177 VanDerWaalsContact O-N 3.17Å | ||
| 176 | K | 36.8 | Very low | 33.9 | Very low | 203 Ų | 203 | 145.8 Ų | 145.8 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -75.3 | 102.7 | 173.5 | -72.2 | -179.1 | 178.5 | 175.7 | 0 | 109.4 | T174 K178 | T174-K176 PolarHBondContact O-N 3.44Å; K176-K178 PolarHBondContact O-N 3.23Å | ||
| 177 | I | 32.5 | Very low | 33.8 | Very low | 156 Ų | 156 | 144 Ų | 144 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -63.5 | 124.7 | 169.9 | -60.6 | 173.1 | 0 | 0 | 0 | 108.9 | S175 | S175-I177 PolarHBondContact O-N 3.08Å; S175-I177 VanDerWaalsContact O-N 3.17Å | ||
| 178 | K | 33.4 | Very low | 33.4 | Very low | 204 Ų | 204 | 143.3 Ų | 143.3 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -135.8 | 126.3 | 161.5 | -152 | -179.4 | -176.7 | -168.8 | 0 | 109.1 | K176 | K176-K178 PolarHBondContact O-N 3.23Š| ||
| 179 | K | 31.4 | Very low | 33.1 | Very low | 183 Ų | 183 | 145.2 Ų | 145.2 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | -82.6 | 143.8 | 178.9 | -58.6 | 177.1 | 179 | -179.3 | 0 | 110.5 | ||||
| 180 | T | 33.6 | Very low | 32.9 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | 170.7 | 121.3 | 129.8 | 37.4 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 181 | S | 29.7 | Very low | 32.4 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | cis | 85.6 | 89.8 | 36.5 | 80.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 182 | S | 34.8 | Very low | 32.3 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -161.1 | 147.5 | 149.5 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 183 | S | 31.9 | Very low | 32 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -38.6 | 157 | 172.1 | 47.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 184 | G | 30.4 | Very low | 32.2 | Very low | 67 Ų | 67 | 139.4 Ų | 139.4 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | cis | 131 | 172.3 | -0.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 185 | K | 33.9 | Very low | 31.9 | Very low | 204 Ų | 204 | 140.4 Ų | 140.4 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | trans | 71 | 151.6 | -178 | -67.1 | -175.2 | 178.5 | -177 | 0 | 115.8 | ||||
| 186 | T | 28.9 | Very low | 31.6 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 68% | 0.681 | 76% | 0.764 | S | S | * | * | cis | 173.2 | 167.8 | -39.9 | 33.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 187 | L | 34.9 | Very low | 31.1 | Very low | 154 Ų | 154 | 139 Ų | 139 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | trans | 78 | 110.4 | -175.8 | -53.7 | 161.4 | 0 | 0 | 0 | 111.8 | ||||
| 188 | D | 28.9 | Very low | 30.8 | Very low | 138 Ų | 138 | 137 Ų | 137 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | cis | 99.8 | 155.6 | 32.1 | -65.7 | -51 | 0 | 0 | 0 | 112.9 | ||||
| 189 | D | 30.3 | Very low | 30.7 | Very low | 140 Ų | 140 | 131 Ų | 131 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | 79.8 | 122.7 | 160.5 | -90.6 | 12.1 | 0 | 0 | 0 | 122.4 | ||||
| 190 | N | 31.9 | Very low | 30.5 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | 66.9 | 115 | 149.1 | -59.8 | -53.8 | 0 | 0 | 0 | 119 | ||||
| 191 | S | 27.7 | Very low | 30.3 | Very low | 88 Ų | 88 | 128 Ų | 128 | 62% | 0.615 | 75% | 0.745 | S | S | * | * | 74.4 | 109.3 | 56.4 | -173.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 192 | M | 33.9 | Very low | 30.4 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 79% | 0.788 | 74% | 0.744 | S | S | * | * | -157.1 | 169.9 | 113.6 | -109.2 | -56.7 | 165.7 | 0 | 0 | 113.2 | |||||
| 193 | N | 26.7 | Very low | 30.4 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 68% | 0.679 | 73% | 0.731 | S | S | * | * | trans | -91.8 | -162.5 | -175.1 | -70.5 | -86.6 | 0 | 0 | 0 | 112.5 | ||||
| 194 | H | 36 | Very low | 30.7 | Very low | 156 Ų | 156 | 130.7 Ų | 130.7 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | trans | 94.1 | 95.7 | -178.7 | -53.7 | -70.6 | 0 | 0 | 0 | 112.3 | ||||
| 195 | N | 27.3 | Very low | 30.7 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 81% | 0.807 | 73% | 0.732 | S | S | * | * | cis | 61.6 | 154 | 34.2 | -164 | 21.4 | 0 | 0 | 0 | 113.3 | ||||
| 196 | I | 27.8 | Very low | 30.7 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 58% | 0.579 | 73% | 0.729 | S | S | * | * | trans | 98.5 | 94.3 | 169.8 | -58.6 | 176.7 | 0 | 0 | 0 | 116.7 | ||||
| 197 | Q | 27.9 | Very low | 30.8 | Very low | 157 Ų | 157 | 128 Ų | 128 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | 75.3 | 121.3 | 128.4 | -70.8 | -172.3 | -104.9 | 0 | 0 | 124.4 | |||||
| 198 | T | 25.4 | Very low | 30.5 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | 48.7 | 123.6 | 128.1 | 67.6 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 199 | G | 32.3 | Very low | 30.4 | Very low | 79 Ų | 79 | 128.2 Ų | 128.2 | 81% | 0.814 | 75% | 0.748 | S | S | * | * | trans | -143.4 | 120.7 | 149.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 200 | N | 27.2 | Very low | 30.5 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | -100.9 | 167.1 | -173.4 | -70.6 | -26.6 | 0 | 0 | 0 | 112.2 | ||||
| 201 | S | 29.4 | Very low | 30.3 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | 81 | 153.4 | 147.6 | 89.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 202 | L | 31.9 | Very low | 30.5 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | cis | -155.7 | 168.3 | -4.4 | -151 | 59.5 | 0 | 0 | 0 | 112.3 | ||||
| 203 | D | 34.8 | Very low | 30.2 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 55% | 0.545 | 77% | 0.769 | S | S | . | * | trans | 76 | 108.2 | 141.6 | -87 | -13.6 | 0 | 0 | 0 | 123 | ||||
| 204 | K | 37.8 | Very low | 30.3 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | 108.6 | 94 | 112.8 | -81.2 | 165.5 | -173.9 | 147.9 | 0 | 121.1 | |||||
| 205 | T | 29.8 | Very low | 30.1 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | 61 | 126.7 | 106.9 | -53.3 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 206 | G | 33.3 | Very low | 30.2 | Very low | 80 Ų | 80 | 132.4 Ų | 132.4 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | 158.8 | 87.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 207 | A | 30.9 | Very low | 30.4 | Very low | 104 Ų | 104 | 134 Ų | 134 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -100.3 | 146.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 208 | C | 29.8 | Very low | 30.5 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 91% | 0.912 | 79% | 0.791 | S | S | * | * | trans | -152.1 | 156.9 | 146.4 | -141.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 209 | L | 26.3 | Very low | 30.9 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -110 | 139.4 | -174.4 | -83.8 | 152.7 | 0 | 0 | 0 | 111 | ||||
| 210 | V | 31.9 | Very low | 30.9 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 87% | 0.873 | 80% | 0.795 | S | S | * | * | trans | -135.2 | 135.6 | 158.4 | -178.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 211 | K | 28.1 | Very low | 31 | Very low | 193 Ų | 193 | 136.9 Ų | 136.9 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -96.3 | 137.4 | 178.8 | -62 | 174 | 178.5 | 176.2 | 0 | 111.1 | ||||
| 212 | I | 32.3 | Very low | 31.1 | Very low | 176 Ų | 176 | 139 Ų | 139 | 90% | 0.903 | 80% | 0.797 | S | S | * | * | trans | -134.7 | 148.6 | 139.5 | -61.2 | -173.3 | 0 | 0 | 0 | 106.7 | ||||
| 213 | A | 27.6 | Very low | 30.9 | Very low | 84 Ų | 84 | 141.8 Ų | 141.8 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | trans | -98.5 | 150.5 | -157.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 214 | T | 28.6 | Very low | 30.6 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -138.4 | 137.7 | 160.4 | 52.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 215 | H | 31.5 | Very low | 30.2 | Very low | 191 Ų | 191 | 140.3 Ų | 140.3 | 88% | 0.884 | 81% | 0.806 | S | S | * | * | trans | -85.9 | 142.5 | 177.8 | -66.8 | -100 | 0 | 0 | 0 | 111 | ||||
| 216 | T | 29.9 | Very low | 30.2 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -141.8 | 171.9 | -170.3 | -16.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 217 | L | 31.1 | Very low | 29.9 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -83 | 179.1 | -171 | -78.5 | 139.4 | 0 | 0 | 0 | 115.4 | ||||
| 218 | D | 30.8 | Very low | 29.7 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | trans | 76.2 | 155.2 | 156.7 | -58 | -40.1 | 0 | 0 | 0 | 116.7 | ||||
| 219 | S | 33.5 | Very low | 29.7 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | cis | -150.8 | 166.6 | 31.8 | -53.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 220 | L | 32.7 | Very low | 29.7 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -80.8 | 148.2 | 160.1 | -69.5 | 159.7 | 0 | 0 | 0 | 111.3 | ||||
| 221 | N | 29.9 | Very low | 29.4 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | 151.7 | 140.8 | 117.3 | -82.6 | -56.4 | 0 | 0 | 0 | 116.4 | |||||
| 222 | L | 31.3 | Very low | 29.3 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | trans | 62.2 | 160.3 | 146 | -110.9 | 64.8 | 0 | 0 | 0 | 124.1 | ||||
| 223 | Y | 26.4 | Very low | 29.1 | Very low | 200 Ų | 200 | 132 Ų | 132 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | trans | -41.2 | 160.4 | 165.4 | -75.7 | -113.3 | 0 | 0 | 0 | 114.4 | ||||
| 224 | D | 28.8 | Very low | 29.1 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | cis | -149.4 | 177.9 | 22.5 | -144.9 | -31 | 0 | 0 | 0 | 114.1 | ||||
| 225 | S | 29 | Very low | 29 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | trans | -61.6 | 138.8 | 176.6 | -42.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 226 | S | 29.6 | Very low | 28.8 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | trans | 178 | 113.1 | 130.2 | -83.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 227 | A | 27.3 | Very low | 28.7 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | trans | -113.6 | 112.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 228 | S | 28.4 | Very low | 28.6 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | trans | -166 | 124.3 | 163.7 | -86.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 229 | Q | 29.2 | Very low | 28.6 | Very low | 171 Ų | 171 | 129.7 Ų | 129.7 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | trans | 56.6 | 134 | 135.8 | -56.2 | -176.6 | 33.7 | 0 | 0 | 118.4 | ||||
| 230 | T | 24.9 | Very low | 28.4 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | cis | -167.9 | 169.8 | 4.2 | 9.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 231 | L | 27.3 | Very low | 28.7 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | trans | 33.3 | 139.3 | 139.8 | -59.2 | 166.8 | 0 | 0 | 0 | 119.7 | ||||
| 232 | D | 25.2 | Very low | 28.6 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | cis | -162 | 165.9 | 28.1 | -142.3 | -48.7 | 0 | 0 | 0 | 112.9 | ||||
| 233 | S | 29 | Very low | 28.4 | Very low | 86 Ų | 86 | 123.9 Ų | 123.9 | 60% | 0.601 | 72% | 0.717 | S | S | * | * | trans | 65.2 | 120.1 | 145.4 | -71.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 234 | T | 26.3 | Very low | 28.5 | Very low | 120 Ų | 120 | 117 Ų | 117 | 74% | 0.736 | 69% | 0.693 | S | S | * | * | 24.5 | 150.3 | 114.2 | 24.5 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 235 | T | 27.8 | Very low | 28.6 | Very low | 101 Ų | 101 | 116 Ų | 116 | 62% | 0.62 | 69% | 0.687 | S | S | * | * | cis | -155.6 | 168.3 | 29.6 | -13.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 236 | E | 27.3 | Very low | 28.9 | Very low | 171 Ų | 171 | 119.9 Ų | 119.9 | 80% | 0.799 | 69% | 0.692 | S | S | * | * | trans | 67.1 | 148.2 | 147 | -73.4 | 156.5 | -167.3 | 0 | 0 | 120.3 | ||||
| 237 | S | 27.9 | Very low | 29.2 | Very low | 97 Ų | 97 | 117.9 Ų | 117.9 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | cis | -161.3 | 153.2 | -19.4 | 57.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 238 | Q | 28.6 | Very low | 29.6 | Very low | 163 Ų | 163 | 122.4 Ų | 122.4 | 76% | 0.762 | 68% | 0.679 | S | S | * | * | trans | 62.3 | 125.4 | 136.7 | -78.7 | -170 | 30.6 | 0 | 0 | 124.3 | ||||
| 239 | N | 31 | Very low | 29.9 | Very low | 119 Ų | 119 | 124.3 Ų | 124.3 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | trans | 86.7 | 92.6 | 131.4 | -57.2 | -11.7 | 0 | 0 | 0 | 122.6 | ||||
| 240 | N | 27.9 | Very low | 30.3 | Very low | 157 Ų | 157 | 120.3 Ų | 120.3 | 84% | 0.84 | 67% | 0.666 | S | S | * | * | 54.2 | 156.7 | 101 | -77.4 | -14.9 | 0 | 0 | 0 | 123 | |||||
| 241 | P | 39.3 | Very low | 31 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 72% | 0.721 | 66% | 0.663 | S | S | * | * | trans | -131.1 | -164.6 | -136.6 | 46.1 | -32.7 | 0 | 0 | 0 | 117.5 | ||||
| 242 | S | 27.6 | Very low | 31.6 | Very low | 86 Ų | 86 | 120.3 Ų | 120.3 | 60% | 0.601 | 66% | 0.658 | S | S | * | * | trans | 114.7 | 145.3 | 152.5 | 77.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 243 | C | 28 | Very low | 32 | Very low | 85 Ų | 85 | 123.8 Ų | 123.8 | 57% | 0.574 | 66% | 0.663 | S | S | * | * | cis | -168.6 | -120.9 | -20.2 | -97.5 | 0 | 0 | 0 | 0 | 110.6 | C315 K316 | C243-C315 HydrophobicContact CB-CB 3.28Å; C243-C315 WeakPolarHBondContact CB-SG 3.33Å; C243-K316 CarbonylContact C-O 3.55Å; C243-K316 PolarHBondContact N-O 2.76Å; C243-K316 CarbonylContact O-C 3.51Å | ||
| 244 | L | 28.1 | Very low | 32.2 | Very low | 56 Ų | 56 | 124.6 Ų | 124.6 | 29% | 0.293 | 67% | 0.665 | S | S | . | * | trans | 104.7 | 104.9 | 148.4 | -179.1 | 166.1 | 0 | 0 | 0 | 118.8 | P314 C315 A317 | L244-P314 HydrophobicContact CD1-CB 4.26Å; L244-P314 HydrophobicContact CD1-CG 4.48Å; L244-C315 HydrophobicContact CB-CB 3.14Å; L244-C315 HydrophobicContact CD1-CB 3.83Å; L244-C315 HydrophobicContact CG-CB 4.1Å; L244-A317 HydrophobicContact CB-CB 4.36Å; L244-A317 HydrophobicContact CD2-CB 3.87Å; L244-A317 HydrophobicContact CG-CB 4.4Å; L244-A317 WeakPolarHBondContact O-CB 3.45Å | ||
| 245 | N | 32 | Very low | 32.4 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 58% | 0.583 | 67% | 0.665 | S | S | * | * | trans | -63.7 | 161.2 | 156.9 | 6.7 | -48.8 | 0 | 0 | 0 | 117.1 | ||||
| 246 | K | 35.1 | Very low | 32.5 | Very low | 180 Ų | 180 | 128.3 Ų | 128.3 | 78% | 0.783 | 67% | 0.67 | S | S | * | * | -177.1 | 155.6 | 124 | -99.3 | 166.5 | -175.7 | 178.7 | 0 | 111.2 | |||||
| 247 | S | 34.4 | Very low | 32.5 | Very low | 85 Ų | 85 | 123.5 Ų | 123.5 | 59% | 0.594 | 66% | 0.66 | S | S | * | * | cis | -172.7 | 154.4 | -43.2 | 61.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 248 | K | 35.9 | Very low | 32.7 | Very low | 196 Ų | 196 | 126.6 Ų | 126.6 | 85% | 0.852 | 66% | 0.663 | S | S | * | * | trans | 77.7 | 155.2 | 164.6 | -55.4 | 178.2 | 179.5 | -177.3 | 0 | 116.2 | ||||
| 249 | K | 34.9 | Very low | 33 | Very low | 143 Ų | 143 | 124.7 Ų | 124.7 | 62% | 0.622 | 66% | 0.658 | S | S | * | * | cis | -147.6 | 157.5 | 10.2 | -155.4 | -171.4 | 174.1 | -67.8 | 0 | 113.1 | E251 | K249-E251 WeakPolarHBondContact CG-OE1 3.46Å; K249-E251 IonicContact NZ-OE1 2.89Å; K249-E251 PolarHBondContact NZ-OE1 2.84Å; K249-E251 IonicContact NZ-OE2 3.94Å; K249-E251 PolarHBondContact NZ-OE2 3.44Å | ||
| 250 | S | 38 | Very low | 32.9 | Very low | 87 Ų | 87 | 124.2 Ų | 124.2 | 61% | 0.608 | 66% | 0.664 | S | S | * | * | trans | 68.9 | 141.6 | 147.4 | 46.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 251 | E | 39.1 | Very low | 33.1 | Very low | 126 Ų | 126 | 121.5 Ų | 121.5 | 59% | 0.589 | 66% | 0.657 | S | S | * | * | cis | 171.8 | 137.9 | -24 | -104.4 | 131.2 | -116.8 | 0 | 0 | 105 | K249 | K249-E251 WeakPolarHBondContact CG-OE1 3.46Å; K249-E251 IonicContact NZ-OE1 2.89Å; K249-E251 PolarHBondContact NZ-OE1 2.84Å; K249-E251 IonicContact NZ-OE2 3.94Å; K249-E251 PolarHBondContact NZ-OE2 3.44Å | ||
| 252 | D | 39.8 | Very low | 32.8 | Very low | 124 Ų | 124 | 125 Ų | 125 | 66% | 0.663 | 66% | 0.661 | S | S | * | * | cis | -153.4 | -161 | -23.3 | -86.7 | -30.6 | 0 | 0 | 0 | 105 | ||||
| 253 | Y | 34.5 | Very low | 32.8 | Very low | 197 Ų | 197 | 128.4 Ų | 128.4 | 77% | 0.773 | 67% | 0.672 | S | S | * | * | cis | -158.3 | 142.7 | 16.7 | -106.1 | -48.5 | 0 | 0 | 0 | 110.9 | ||||
| 254 | T | 32.5 | Very low | 33 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 63% | 0.632 | 68% | 0.681 | S | S | * | * | trans | 25.5 | 159.4 | 132.5 | 55.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 255 | E | 30.3 | Very low | 33 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | cis | -155.8 | -163.7 | -1 | -121.6 | 160.5 | 132.3 | 0 | 0 | 109.1 | ||||
| 256 | I | 30.2 | Very low | 32.8 | Very low | 139 Ų | 139 | 136 Ų | 136 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | cis | -153.6 | 143.6 | 10.1 | -133 | 151.2 | 0 | 0 | 0 | 107.2 | ||||
| 257 | A | 28.5 | Very low | 32.5 | Very low | 71 Ų | 71 | 134 Ų | 134 | 59% | 0.587 | 72% | 0.717 | S | S | * | * | 56.1 | 145 | 92.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 258 | E | 32.1 | Very low | 32.3 | Very low | 161 Ų | 161 | 133.3 Ų | 133.3 | 75% | 0.752 | 72% | 0.723 | S | S | * | * | cis | -163.2 | 170.1 | 7.4 | -137.7 | 172.3 | -121.3 | 0 | 0 | 114.4 | ||||
| 259 | N | 33 | Very low | 32.1 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 66% | 0.663 | 73% | 0.725 | S | S | * | * | trans | 62.1 | 92.5 | 152.2 | -61.8 | -29.7 | 0 | 0 | 0 | 124.2 | ||||
| 260 | S | 29.9 | Very low | 31.8 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | -7.6 | 144.7 | 130.6 | 59.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 261 | S | 32.5 | Very low | 31.3 | Very low | 99 Ų | 99 | 134.6 Ų | 134.6 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | -167.2 | 145.9 | 112.5 | 63.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 262 | K | 33.1 | Very low | 30.7 | Very low | 185 Ų | 185 | 135.9 Ų | 135.9 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | 59.4 | 117.4 | 158.2 | -64.4 | 156.7 | -173.7 | 169 | 0 | 118.1 | ||||
| 263 | L | 27.4 | Very low | 30.2 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | 57.9 | 104.6 | 76.4 | -80.2 | 155.4 | 0 | 0 | 0 | 114.2 | |||||
| 264 | I | 31.3 | Very low | 29.8 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | 178.1 | 135.2 | 116.8 | -92.2 | 158.4 | 0 | 0 | 0 | 111.7 | |||||
| 265 | N | 29.5 | Very low | 29.6 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | 58.1 | 118.2 | 163.1 | -63.6 | -2.6 | 0 | 0 | 0 | 122 | ||||
| 266 | S | 27.2 | Very low | 29.5 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -92.7 | 175.3 | 165.1 | -45 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 267 | T | 27.9 | Very low | 29.5 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | trans | 65.4 | 110.9 | 151.2 | 45.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 268 | G | 30.2 | Very low | 29.7 | Very low | 69 Ų | 69 | 134.8 Ų | 134.8 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | -148.7 | 107.7 | 143.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 269 | L | 31.5 | Very low | 29.4 | Very low | 172 Ų | 172 | 133.8 Ų | 133.8 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | 74.7 | 115.7 | 73.2 | -71.7 | 176.2 | 0 | 0 | 0 | 113.9 | |||||
| 270 | I | 28.7 | Very low | 29.2 | Very low | 174 Ų | 174 | 132.5 Ų | 132.5 | 89% | 0.892 | 78% | 0.777 | S | S | * | * | trans | -65.6 | 133.1 | 172.8 | -57.4 | 159.2 | 0 | 0 | 0 | 109.8 | ||||
| 271 | S | 28.8 | Very low | 29 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -152.7 | 148.2 | 156.5 | -169.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 272 | L | 26 | Very low | 28.8 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | trans | -70.9 | 154.4 | 160.6 | -54 | 78 | 0 | 0 | 0 | 109.2 | ||||
| 273 | C | 29.7 | Very low | 28.4 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 92% | 0.919 | 78% | 0.777 | S | S | * | * | -167.5 | 170.2 | 126.2 | -114.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 274 | S | 26.6 | Very low | 28.4 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -88.8 | 163.3 | -179.9 | -60 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 275 | T | 27 | Very low | 28 | Very low | 126 Ų | 126 | 128.6 Ų | 128.6 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | 7.2 | 116.9 | 147.8 | -48.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 276 | I | 29.5 | Very low | 27.9 | Very low | 161 Ų | 161 | 127.2 Ų | 127.2 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | -147.3 | 146.4 | 136.4 | -102.4 | 151.6 | 0 | 0 | 0 | 107.5 | ||||
| 277 | N | 28.4 | Very low | 28 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 67% | 0.668 | 77% | 0.767 | S | S | * | * | trans | -70.5 | 142.8 | 177.5 | -56 | -45.5 | 0 | 0 | 0 | 110.2 | I279 | N277-I279 PolarHBondContact O-N 3.21Š| ||
| 278 | P | 33.2 | Very low | 28 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | trans | -67.2 | 90.5 | 147.7 | 30.8 | -30.4 | 0 | 0 | 0 | 108 | T280 | P278-T280 PolarHBondContact O-N 3.42Å; P278-T280 VanDerWaalsContact O-N 3.11Å | ||
| 279 | I | 26.3 | Very low | 27.9 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | trans | -69.2 | 97.2 | 145.1 | -63.7 | 178.3 | 0 | 0 | 0 | 104.3 | N277 | N277-I279 PolarHBondContact O-N 3.21Š| ||
| 280 | T | 29.1 | Very low | 27.8 | Very low | 97 Ų | 97 | 126.7 Ų | 126.7 | 60% | 0.595 | 74% | 0.743 | S | S | * | * | trans | -116.6 | 90.4 | 166.1 | -49 | 0 | 0 | 0 | 0 | 106.4 | P278 Q282 | P278-T280 PolarHBondContact O-N 3.42Å; P278-T280 VanDerWaalsContact O-N 3.11Å; T280-Q282 VanDerWaalsContact C-N 3.31Å; T280-Q282 HydrophobicContact CG2-CG 4.08Å; T280-Q282 PolarHBondContact O-N 2.85Å | ||
| 281 | D | 25.9 | Very low | 27.9 | Very low | 132 Ų | 132 | 123.6 Ų | 123.6 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | -60.5 | 96 | 164.6 | -69.7 | -59.6 | 0 | 0 | 0 | 108.4 | T283 | D281-T283 VanDerWaalsContact C-N 3.33Å; D281-T283 PolarHBondContact O-N 2.82Å | ||
| 282 | Q | 27.8 | Very low | 27.9 | Very low | 157 Ų | 157 | 122.6 Ų | 122.6 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | -94.3 | 74.8 | 159 | -71.6 | -158.7 | 37.7 | 0 | 0 | 109 | T280 S284 | T280-Q282 VanDerWaalsContact C-N 3.31Å; T280-Q282 HydrophobicContact CG2-CG 4.08Å; T280-Q282 PolarHBondContact O-N 2.85Å; Q282-S284 PolarHBondContact O-N 2.73Å | ||
| 283 | T | 25.3 | Very low | 27.9 | Very low | 133 Ų | 133 | 122.4 Ų | 122.4 | 82% | 0.816 | 74% | 0.735 | S | S | * | * | trans | -67.5 | 76.2 | 160.2 | 50.7 | 0 | 0 | 0 | 0 | 109.6 | D281 | D281-T283 VanDerWaalsContact C-N 3.33Å; D281-T283 PolarHBondContact O-N 2.82Å | ||
| 284 | S | 26.2 | Very low | 27.8 | Very low | 80 Ų | 80 | 121 Ų | 121 | 56% | 0.559 | 72% | 0.722 | S | S | * | * | trans | -151.7 | 73.3 | 173.3 | 58.9 | 0 | 0 | 0 | 0 | 110.8 | Q282 | Q282-S284 PolarHBondContact O-N 2.73Š| ||
| 285 | C | 23.2 | Very low | 27.7 | Very low | 118 Ų | 118 | 122.8 Ų | 122.8 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | trans | -77.8 | 173.1 | 152.9 | -71.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 286 | T | 28 | Very low | 27.7 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | trans | 75.4 | 108.8 | -167.9 | 72.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 287 | L | 28.8 | Very low | 27.7 | Very low | 157 Ų | 157 | 122.6 Ų | 122.6 | 82% | 0.822 | 71% | 0.712 | S | S | * | * | 77.5 | 138.4 | 71.5 | -67.8 | 161 | 0 | 0 | 0 | 111.4 | |||||
| 288 | S | 29.1 | Very low | 27.8 | Very low | 52 Ų | 52 | 123.4 Ų | 123.4 | 36% | 0.364 | 72% | 0.716 | S | S | . | * | cis | -138.8 | -171.1 | 17.3 | -15.5 | 0 | 0 | 0 | 0 | 113.9 | D905 | S288-D905 VanDerWaalsContact CB-OD1 3.23Å; S288-D905 WeakPolarHBondContact CB-OD1 3.49Å; S288-D905 WeakPolarHBondContact OG-CA 3.39Å; S288-D905 PolarHBondContact OG-N 3.42Å; S288-D905 PolarHBondContact OG-OD1 3.28Å | ||
| 289 | N | 28 | Very low | 27.6 | Very low | 156 Ų | 156 | 121.3 Ų | 121.3 | 83% | 0.834 | 71% | 0.708 | S | S | * | * | trans | -102.4 | 177.3 | -179.5 | -66.5 | -60.7 | 0 | 0 | 0 | 113.5 | ||||
| 290 | S | 28.6 | Very low | 27.7 | Very low | 110 Ų | 110 | 119 Ų | 119 | 77% | 0.769 | 71% | 0.705 | S | S | * | * | trans | 101.6 | 115.1 | 165.4 | -155 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 291 | S | 29.7 | Very low | 27.7 | Very low | 109 Ų | 109 | 124.6 Ų | 124.6 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | cis | 84.7 | 142.7 | 34.4 | -163.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 292 | A | 29 | Very low | 27.7 | Very low | 86 Ų | 86 | 124.3 Ų | 124.3 | 71% | 0.711 | 71% | 0.711 | S | S | * | * | trans | 66.2 | 145.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 293 | N | 26.1 | Very low | 28 | Very low | 150 Ų | 150 | 123.9 Ų | 123.9 | 80% | 0.802 | 71% | 0.709 | S | S | * | * | cis | -170.8 | -175.2 | -25 | -126 | -32 | 0 | 0 | 0 | 108.3 | ||||
| 294 | V | 27.4 | Very low | 28.3 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 66% | 0.655 | 71% | 0.708 | S | S | * | * | trans | 70.5 | 106.2 | 141.4 | 149.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 295 | L | 26.2 | Very low | 28.9 | Very low | 145 Ų | 145 | 125.5 Ų | 125.5 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | trans | 66.9 | 160.8 | 135.2 | -50.6 | -177 | 0 | 0 | 0 | 117.2 | ||||
| 296 | I | 27.1 | Very low | 29.2 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 60% | 0.6 | 71% | 0.706 | S | S | * | * | cis | -161.6 | 165.3 | -10.7 | -123 | 172.1 | 0 | 0 | 0 | 109.2 | ||||
| 297 | E | 29.6 | Very low | 29.3 | Very low | 167 Ų | 167 | 123.9 Ų | 123.9 | 78% | 0.78 | 70% | 0.702 | S | S | * | * | trans | 64.5 | 151.4 | 160.7 | -86.3 | 154.2 | -141.7 | 0 | 0 | 118.7 | ||||
| 298 | D | 28.7 | Very low | 29.3 | Very low | 141 Ų | 141 | 123 Ų | 123 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | cis | -155.3 | 179.4 | -18.1 | -155.6 | 2 | 0 | 0 | 0 | 111.2 | ||||
| 299 | A | 29.2 | Very low | 29.5 | Very low | 71 Ų | 71 | 127.6 Ų | 127.6 | 59% | 0.587 | 71% | 0.713 | S | S | * | * | trans | 27.9 | 133.2 | 135.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 300 | S | 28.7 | Very low | 29.6 | Very low | 91 Ų | 91 | 125 Ų | 125 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | cis | 174.6 | 167.9 | 12.3 | 50.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 301 | R | 28.4 | Very low | 29.7 | Very low | 213 Ų | 213 | 124.4 Ų | 124.4 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | trans | 65.6 | 162.7 | 148.9 | -73.6 | 168.6 | -178.4 | -90.6 | 0.8 | 116 | ||||
| 302 | M | 27.3 | Very low | 30 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 62% | 0.621 | 70% | 0.697 | S | S | * | * | cis | -157 | 163.9 | -7.5 | -123.6 | 167 | 102 | 0 | 0 | 110.8 | ||||
| 303 | E | 33.3 | Very low | 30.3 | Very low | 149 Ų | 149 | 127.2 Ų | 127.2 | 70% | 0.696 | 70% | 0.695 | S | S | * | * | trans | 43.1 | 113 | 158 | -44.6 | -46.4 | 92 | 0 | 0 | 121.8 | ||||
| 304 | D | 31.9 | Very low | 30.9 | Very low | 149 Ų | 149 | 124.6 Ų | 124.6 | 80% | 0.797 | 69% | 0.686 | S | S | * | * | -11.8 | 178.6 | 114 | -107.5 | -38.1 | 0 | 0 | 0 | 119.1 | |||||
| 305 | P | 38.6 | Very low | 31.1 | Very low | 97 Ų | 97 | 121.9 Ų | 121.9 | 63% | 0.63 | 67% | 0.672 | S | S | * | * | cis | -138.2 | -177 | -14.1 | 37.2 | -18.5 | 0 | 0 | 0 | 115.7 | ||||
| 306 | S | 30.1 | Very low | 31.6 | Very low | 98 Ų | 98 | 122.9 Ų | 122.9 | 69% | 0.685 | 67% | 0.67 | S | S | * | * | trans | 76.1 | 171.3 | 145.5 | 86.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 307 | T | 30.1 | Very low | 31.8 | Very low | 109 Ų | 109 | 119.1 Ų | 119.1 | 67% | 0.669 | 66% | 0.656 | S | S | * | * | cis | -155.7 | 144.5 | 10.9 | -3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 308 | L | 28.4 | Very low | 31.8 | Very low | 139 Ų | 139 | 117.5 Ų | 117.5 | 73% | 0.728 | 65% | 0.653 | S | S | * | * | trans | 66.8 | 161 | 149.7 | -55.9 | 174.3 | 0 | 0 | 0 | 119.3 | ||||
| 309 | H | 34.2 | Very low | 32 | Very low | 149 Ų | 149 | 119.2 Ų | 119.2 | 69% | 0.69 | 66% | 0.656 | S | S | * | * | cis | -151.8 | 144.8 | -3.5 | -125.4 | -42.5 | 0 | 0 | 0 | 112.8 | ||||
| 310 | T | 28.7 | Very low | 31.9 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 62% | 0.62 | 67% | 0.667 | S | S | * | * | trans | 2.5 | 139.4 | 144.1 | -31 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 311 | S | 31.4 | Very low | 31.8 | Very low | 97 Ų | 97 | 123.9 Ų | 123.9 | 68% | 0.678 | 67% | 0.671 | S | S | * | * | 178 | 144 | 75.5 | 47.2 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 312 | H | 36.1 | Very low | 31.8 | Very low | 159 Ų | 159 | 119.2 Ų | 119.2 | 74% | 0.736 | 67% | 0.666 | S | S | * | * | trans | 42.3 | 138.6 | 147 | -47.7 | -48 | 0 | 0 | 0 | 121.9 | ||||
| 313 | S | 35.6 | Very low | 31.9 | Very low | 95 Ų | 95 | 120.2 Ų | 120.2 | 66% | 0.664 | 67% | 0.669 | S | S | * | * | cis | 68.6 | 159.5 | 32 | 96.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 314 | P | 38.4 | Very low | 31.8 | Very low | 95 Ų | 95 | 120.4 Ų | 120.4 | 62% | 0.617 | 67% | 0.67 | S | S | * | * | cis | -130 | -97.9 | -17.1 | 34.6 | -12.1 | 0 | 0 | 0 | 112 | L244 | L244-P314 HydrophobicContact CD1-CB 4.26Å; L244-P314 HydrophobicContact CD1-CG 4.48Å | ||
| 315 | C | 32 | Very low | 31.5 | Very low | 52 Ų | 52 | 118.3 Ų | 118.3 | 35% | 0.351 | 67% | 0.667 | S | S | . | * | trans | -169.1 | -178.4 | -151.2 | -69.9 | 0 | 0 | 0 | 0 | 113.1 | C243 L244 | C243-C315 HydrophobicContact CB-CB 3.28Å; C243-C315 WeakPolarHBondContact CB-SG 3.33Å; L244-C315 HydrophobicContact CB-CB 3.14Å; L244-C315 HydrophobicContact CD1-CB 3.83Å; L244-C315 HydrophobicContact CG-CB 4.1Å | ||
| 316 | K | 36.7 | Very low | 31.3 | Very low | 165 Ų | 165 | 119.1 Ų | 119.1 | 72% | 0.717 | 67% | 0.672 | S | S | * | * | trans | -145.1 | 143.3 | 170.5 | -165 | -179.8 | -63.4 | 178 | 0 | 114.7 | C243 | C243-K316 CarbonylContact C-O 3.55Å; C243-K316 PolarHBondContact N-O 2.76Å; C243-K316 CarbonylContact O-C 3.51Å | ||
| 317 | A | 31.1 | Very low | 31.4 | Very low | 39 Ų | 39 | 119.8 Ų | 119.8 | 32% | 0.322 | 68% | 0.677 | S | S | . | * | trans | -121.2 | 175.8 | -162.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | L244 | L244-A317 HydrophobicContact CB-CB 4.36Å; L244-A317 HydrophobicContact CD2-CB 3.87Å; L244-A317 HydrophobicContact CG-CB 4.4Å; L244-A317 WeakPolarHBondContact O-CB 3.45Å | ||
| 318 | D | 29.8 | Very low | 31.5 | Very low | 132 Ų | 132 | 120.5 Ų | 120.5 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | trans | 60.5 | 130.5 | 149.5 | -70.5 | -38.6 | 0 | 0 | 0 | 124.3 | ||||
| 319 | Q | 31.6 | Very low | 31.5 | Very low | 177 Ų | 177 | 123.1 Ų | 123.1 | 83% | 0.827 | 69% | 0.688 | S | S | * | * | trans | -173.8 | 125.9 | 143.6 | -103.2 | 154.3 | 85.7 | 0 | 0 | 109 | ||||
| 320 | L | 26.8 | Very low | 31.2 | Very low | 157 Ų | 157 | 123.5 Ų | 123.5 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | 64.8 | 133.7 | 75.9 | -70.7 | 164.4 | 0 | 0 | 0 | 113.1 | |||||
| 321 | C | 27.7 | Very low | 31.1 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 70% | 0.703 | 70% | 0.696 | S | S | * | * | cis | -156.8 | 168.2 | 34.7 | -116.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 322 | T | 28.4 | Very low | 30.8 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 70% | 0.699 | 70% | 0.698 | S | S | * | * | trans | 66.6 | 131 | 146.4 | -62 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 323 | E | 28.9 | Very low | 30.5 | Very low | 148 Ų | 148 | 126.1 Ų | 126.1 | 69% | 0.692 | 70% | 0.701 | S | S | * | * | cis | -161 | 177.3 | -8.3 | -118.6 | 167.1 | -137.5 | 0 | 0 | 111.9 | ||||
| 324 | H | 32.2 | Very low | 29.9 | Very low | 153 Ų | 153 | 126.6 Ų | 126.6 | 71% | 0.708 | 70% | 0.7 | S | S | * | * | trans | 8.6 | 129.4 | 164.4 | -52.7 | -58 | 0 | 0 | 0 | 120.8 | ||||
| 325 | S | 25.5 | Very low | 29.3 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | 64.5 | 140.7 | 54.4 | -161.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 326 | P | 34.2 | Very low | 29.1 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 74% | 0.74 | 74% | 0.736 | S | S | * | * | cis | -128.6 | -177.3 | 11.3 | 43.2 | -28.3 | 0 | 0 | 0 | 115.7 | ||||
| 327 | S | 30.8 | Very low | 28.7 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | trans | -68.3 | 161.3 | 159.9 | -42.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 328 | P | 32.7 | Very low | 28.7 | Very low | 124 Ų | 124 | 138 Ų | 138 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | -142.4 | 167.6 | 103.9 | 39.7 | -28.1 | 0 | 0 | 0 | 115.2 | |||||
| 329 | K | 29.1 | Very low | 28.6 | Very low | 193 Ų | 193 | 134.6 Ų | 134.6 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | trans | -77.9 | 156.3 | 159.7 | -54.6 | 169.7 | -179.2 | 176.8 | 0 | 109 | ||||
| 330 | I | 27.7 | Very low | 28.7 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | trans | 175.4 | 119.5 | 135.1 | -92.6 | 155.3 | 0 | 0 | 0 | 110.6 | ||||
| 331 | N | 26 | Very low | 28.8 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 67% | 0.674 | 75% | 0.751 | S | S | * | * | trans | 38.2 | 133.6 | 139.4 | -66.7 | 53.8 | 0 | 0 | 0 | 125.1 | ||||
| 332 | D | 25.2 | Very low | 28.9 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | 72.9 | 153.3 | 127.3 | -58.2 | -30.9 | 0 | 0 | 0 | 123.3 | |||||
| 333 | L | 29.3 | Very low | 28.9 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | trans | 69.5 | 105.7 | 169.6 | -56.6 | 168.5 | 0 | 0 | 0 | 115.9 | ||||
| 334 | T | 23.8 | Very low | 28.9 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 64% | 0.638 | 77% | 0.77 | S | S | * | * | 85.8 | 130 | 52.2 | 65.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 335 | F | 25.1 | Very low | 28.9 | Very low | 196 Ų | 196 | 135.4 Ų | 135.4 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | 65.7 | 151.8 | -177 | -61.9 | -89.2 | 0 | 0 | 0 | 113.8 | ||||
| 336 | E | 29.1 | Very low | 29.3 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | cis | -121.6 | 153.7 | 6 | -63.7 | 172.3 | 130.7 | 0 | 0 | 109.1 | ||||
| 337 | S | 28.1 | Very low | 29.5 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | cis | 74 | 86.9 | 42.7 | -176.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 338 | S | 30.1 | Very low | 29.5 | Very low | 103 Ų | 103 | 143.7 Ų | 143.7 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | -166 | 114.7 | 146 | 50.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 339 | G | 29.4 | Very low | 29.8 | Very low | 62 Ų | 62 | 149.1 Ų | 149.1 | 64% | 0.639 | 79% | 0.788 | S | S | * | * | trans | 66.2 | 162.7 | 154.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 340 | Y | 32.9 | Very low | 30.4 | Very low | 215 Ų | 215 | 147.4 Ų | 147.4 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | cis | -146.5 | 163.6 | -7.2 | -59.6 | -84.1 | 0 | 0 | 0 | 109.6 | ||||
| 341 | D | 28.2 | Very low | 30.9 | Very low | 144 Ų | 144 | 145 Ų | 145 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -71.1 | 156.3 | -172.4 | -51.3 | -96 | 0 | 0 | 0 | 115.3 | ||||
| 342 | T | 30.9 | Very low | 31.7 | Very low | 139 Ų | 139 | 143 Ų | 143 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | 166.8 | 169.4 | 111.6 | 40.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 343 | N | 27 | Very low | 32.9 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | trans | -83.1 | 156.8 | -163.4 | -57.9 | -79.4 | 0 | 0 | 0 | 116.2 | ||||
| 344 | S | 30.1 | Very low | 33.7 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | 58 | 112.1 | 139 | 173.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 345 | A | 31.8 | Very low | 34.5 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | trans | -141.2 | 116 | 151.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 346 | Q | 34.6 | Very low | 35.4 | Very low | 184 Ų | 184 | 131.1 Ų | 131.1 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | trans | -79.9 | 136.4 | 172.5 | -173.4 | 177.4 | 6.6 | 0 | 0 | 110.3 | R348 | Q346-R348 PolarHBondContact O-N 3.42Š| ||
| 347 | T | 37.2 | Very low | 36.1 | Very low | 138 Ų | 138 | 129.5 Ų | 129.5 | 85% | 0.847 | 72% | 0.723 | S | S | * | * | trans | -64.4 | 91.9 | -171.2 | -41.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 348 | R | 32.2 | Very low | 36.9 | Very low | 183 Ų | 183 | 130.1 Ų | 130.1 | 69% | 0.691 | 72% | 0.717 | S | S | * | * | trans | -80.6 | 114.1 | 179.3 | -163.7 | -171.6 | -65.9 | -142.8 | 8 | 109.9 | Q346 | Q346-R348 PolarHBondContact O-N 3.42Š| ||
| 349 | R | 38.3 | Very low | 37.2 | Very low | 238 Ų | 238 | 131 Ų | 131 | 90% | 0.898 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 132.3 | 174.2 | -75.7 | -176.7 | 174.1 | 156.5 | -1.2 | 110.8 | ||
| 350 | I | 42.3 | Very low | 37.9 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 81% | 0.805 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 133.7 | 178.2 | -59.5 | 169.2 | 0 | 0 | 0 | 108.8 | ||
| 351 | P | 37.6 | Very low | 37.9 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 69% | 0.688 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 145.1 | 172.2 | 32.8 | -33.6 | 0 | 0 | 0 | 111.7 | ||
| 352 | D | 42.3 | Very low | 38.3 | Very low | 85 Ų | 85 | 129.5 Ų | 129.5 | 46% | 0.455 | 71% | 0.706 | S | S | . | * | P | Polyproline II helix | trans | -69.5 | 125.3 | -179.3 | 174.7 | 11.7 | 0 | 0 | 0 | 112.6 | A354 L355 | D352-A354 VanDerWaalsContact C-N 3.26Å; D352-A354 PolarHBondContact O-N 2.95Å; D352-A354 WeakPolarHBondContact OD1-CB 3.43Å; D352-A354 PolarHBondContact OD1-N 3.21Å; D352-L355 HydrophobicContact CB-CD1 4.29Å; D352-L355 HydrophobicContact CB-CG 4.41Å; D352-L355 PolarHBondContact O-N 3.03Å |
| 353 | P | 51 | Low | 38.5 | Very low | 97 Ų | 97 | 126.1 Ų | 126.1 | 63% | 0.63 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -31.4 | 173 | -26.1 | 35.7 | 0 | 0 | 0 | 115 | S356 | P353-S356 WeakPolarHBondContact O-CB 3.39Å; P353-S356 PolarHBondContact O-N 3.29Å |
| 354 | A | 45.6 | Very low | 38.9 | Very low | 53 Ų | 53 | 126.5 Ų | 126.5 | 44% | 0.438 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.8 | -41.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D352 S356 Q357 | D352-A354 VanDerWaalsContact C-N 3.26Å; D352-A354 PolarHBondContact O-N 2.95Å; D352-A354 WeakPolarHBondContact OD1-CB 3.43Å; D352-A354 PolarHBondContact OD1-N 3.21Å; A354-S356 PolarHBondContact O-N 3.32Å; A354-Q357 PolarHBondContact O-N 3.19Å |
| 355 | L | 41.3 | Very low | 38.9 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 54% | 0.539 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -63.4 | -23.8 | 177.1 | -68.7 | 175.5 | 0 | 0 | 0 | 113.2 | D352 Q357 F359 | D352-L355 HydrophobicContact CB-CD1 4.29Å; D352-L355 HydrophobicContact CB-CG 4.41Å; D352-L355 PolarHBondContact O-N 3.03Å; L355-Q357 VanDerWaalsContact C-N 3.27Å; L355-Q357 PolarHBondContact O-N 3.41Å; L355-F359 PolarHBondContact O-N 2.98Å |
| 356 | S | 43.2 | Very low | 39.1 | Very low | 84 Ų | 84 | 131.7 Ų | 131.7 | 59% | 0.587 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -70.3 | -21.3 | -179.9 | -57.6 | 0 | 0 | 0 | 0 | 113.3 | P353 A354 | P353-S356 WeakPolarHBondContact O-CB 3.39Å; P353-S356 PolarHBondContact O-N 3.29Å; A354-S356 PolarHBondContact O-N 3.32Å |
| 357 | Q | 43.4 | Very low | 39 | Very low | 151 Ų | 151 | 128.7 Ų | 128.7 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -88.1 | -30.5 | 179.3 | -60.3 | -173.8 | 7.9 | 0 | 0 | 112.7 | A354 L355 H360 | A354-Q357 PolarHBondContact O-N 3.19Å; L355-Q357 VanDerWaalsContact C-N 3.27Å; L355-Q357 PolarHBondContact O-N 3.41Å; Q357-H360 PolarHBondContact O-CE1 2.94Å; Q357-H360 PolarHBondContact O-ND1 3.31Å |
| 358 | I | 45.2 | Very low | 38.6 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 61% | 0.61 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -79.7 | -38.1 | -175.7 | -55.7 | 175.5 | 0 | 0 | 0 | 110.9 | ||
| 359 | F | 36.8 | Very low | 38.5 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 54% | 0.535 | 67% | 0.67 | S | S | . | * | trans | -118.9 | 77.8 | -173.8 | -62.9 | -78.2 | 0 | 0 | 0 | 113.3 | L355 S361 V362 | L355-F359 PolarHBondContact O-N 2.98Å; F359-S361 PolarHBondContact O-N 3.24Å; F359-V362 HydrophobicContact CB-CG2 3.75Å; F359-V362 PolarHBondContact O-N 3.3Å | ||
| 360 | H | 44.1 | Very low | 38.1 | Very low | 175 Ų | 175 | 122.8 Ų | 122.8 | 81% | 0.81 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | 16.1 | 175.2 | -74.9 | 75.5 | 0 | 0 | 0 | 115.7 | Q357 | Q357-H360 PolarHBondContact O-CE1 2.94Å; Q357-H360 PolarHBondContact O-ND1 3.31Å |
| 361 | S | 32.5 | Very low | 37.8 | Very low | 99 Ų | 99 | 120.1 Ų | 120.1 | 69% | 0.692 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.6 | 5.3 | -172.2 | 55.5 | 0 | 0 | 0 | 0 | 115.5 | F359 A363 | F359-S361 PolarHBondContact O-N 3.24Å; S361-A363 PolarHBondContact O-N 3.33Å |
| 362 | V | 37.8 | Very low | 37.5 | Very low | 116 Ų | 116 | 121.3 Ų | 121.3 | 70% | 0.703 | 66% | 0.662 | S | S | * | * | trans | -79.8 | 60.1 | 176.8 | -166.1 | 0 | 0 | 0 | 0 | 111.4 | F359 | F359-V362 HydrophobicContact CB-CG2 3.75Å; F359-V362 PolarHBondContact O-N 3.3Å | ||
| 363 | A | 34.5 | Very low | 37.3 | Very low | 68 Ų | 68 | 125.8 Ų | 125.8 | 56% | 0.562 | 68% | 0.68 | S | S | * | * | trans | -107.1 | 26.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S361 | S361-A363 PolarHBondContact O-N 3.33Š| ||
| 364 | L | 34.5 | Very low | 36.6 | Very low | 159 Ų | 159 | 126.2 Ų | 126.2 | 83% | 0.832 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -121.3 | 11.6 | -174 | -74.8 | 175.3 | 0 | 0 | 0 | 115.4 | ||
| 365 | F | 31.3 | Very low | 36.2 | Very low | 155 Ų | 155 | 129.7 Ų | 129.7 | 68% | 0.68 | 69% | 0.694 | S | S | * | * | trans | -128.8 | 51.2 | 171.8 | -69.6 | -71 | 0 | 0 | 0 | 112.4 | T367 | F365-T367 PolarHBondContact O-N 2.86Š| ||
| 366 | H | 34.8 | Very low | 36.1 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 80% | 0.801 | 71% | 0.706 | S | S | * | * | trans | -78.1 | 98.4 | 163.4 | -76.8 | -32.9 | 0 | 0 | 0 | 110.4 | Y368 | H366-Y368 PolarHBondContact O-N 2.78Š| ||
| 367 | T | 33.3 | Very low | 35.8 | Very low | 122 Ų | 122 | 133 Ų | 133 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | trans | -64.6 | 109.7 | 154.9 | 47.9 | 0 | 0 | 0 | 0 | 108.1 | F365 Q369 | F365-T367 PolarHBondContact O-N 2.86Å; T367-Q369 PolarHBondContact O-N 3.33Å | ||
| 368 | Y | 27.7 | Very low | 35.6 | Very low | 218 Ų | 218 | 132.2 Ų | 132.2 | 86% | 0.855 | 72% | 0.72 | S | S | * | * | trans | -67.8 | 100.6 | 179.4 | -165.2 | -93.4 | 0 | 0 | 0 | 109.6 | H366 P370 | H366-Y368 PolarHBondContact O-N 2.78Å; Y368-P370 WeakPolarHBondContact O-CD 3.36Å | ||
| 369 | Q | 31.1 | Very low | 35.4 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 50% | 0.5 | 72% | 0.724 | S | S | . | * | trans | -92.4 | 112.8 | 172.5 | -67.4 | -156.6 | -80.7 | 0 | 0 | 109.9 | T367 T371 | T367-Q369 PolarHBondContact O-N 3.33Å; Q369-T371 PolarHBondContact O-N 3.43Å | ||
| 370 | P | 30.9 | Very low | 35.7 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 71% | 0.714 | 73% | 0.732 | S | S | * | * | trans | -78.3 | 99.2 | 160.5 | 31.7 | -29.9 | 0 | 0 | 0 | 108.3 | Y368 | Y368-P370 WeakPolarHBondContact O-CD 3.36Š| ||
| 371 | T | 35.2 | Very low | 35.5 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | trans | -130.6 | 94.9 | 170.2 | 45.6 | 0 | 0 | 0 | 0 | 109.1 | Q369 | Q369-T371 PolarHBondContact O-N 3.43Š| ||
| 372 | C | 31.6 | Very low | 35.6 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 88% | 0.878 | 74% | 0.744 | S | S | * | * | trans | -109.8 | 107.8 | 165.4 | -65.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 373 | E | 37.4 | Very low | 35.4 | Very low | 179 Ų | 179 | 132.3 Ų | 132.3 | 84% | 0.836 | 76% | 0.755 | S | S | * | * | trans | -75.5 | 148.7 | 163.3 | -74.1 | -65.7 | 141.5 | 0 | 0 | 109.2 | ||||
| 374 | P | 37.2 | Very low | 35.3 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | trans | -88.3 | 159.2 | -176.2 | 36.7 | -35.8 | 0 | 0 | 0 | 112.4 | ||||
| 375 | D | 36.8 | Very low | 35.5 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | -165.9 | 151.3 | 110.2 | -139.2 | -15.9 | 0 | 0 | 0 | 113.6 | |||||
| 376 | K | 38.1 | Very low | 35.6 | Very low | 184 Ų | 184 | 134 Ų | 134 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | trans | 40.8 | 119.1 | 163.1 | -34.3 | -166 | -170.4 | -165.4 | 0 | 119.5 | ||||
| 377 | G | 37 | Very low | 35.5 | Very low | 74 Ų | 74 | 133.6 Ų | 133.6 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | trans | -148.4 | -34.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 378 | V | 40.1 | Very low | 35.6 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | 68 | 114.5 | 174 | 177.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 379 | D | 40.4 | Very low | 35.7 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 69% | 0.69 | 78% | 0.784 | S | S | * | * | trans | 82.7 | 104 | 145.1 | -70.5 | 23.5 | 0 | 0 | 0 | 124.7 | ||||
| 380 | N | 42.7 | Very low | 36 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | 101.3 | 118.2 | 120.7 | -62.2 | -22.3 | 0 | 0 | 0 | 122.7 | |||||
| 381 | E | 39.8 | Very low | 36.2 | Very low | 199 Ų | 199 | 140.7 Ų | 140.7 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | trans | 64 | 101.1 | 151.1 | -58.3 | -165.1 | 132.8 | 0 | 0 | 120.9 | ||||
| 382 | G | 36.1 | Very low | 36.4 | Very low | 80 Ų | 80 | 139.9 Ų | 139.9 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -177.7 | 62.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 383 | G | 33 | Very low | 36.6 | Very low | 90 Ų | 90 | 140 Ų | 140 | 93% | 0.928 | 81% | 0.809 | S | S | * | * | trans | -65.7 | 146.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 384 | G | 33.3 | Very low | 36.3 | Very low | 78 Ų | 78 | 140.7 Ų | 140.7 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -136 | 8.9 | -161.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 385 | L | 37.6 | Very low | 36.3 | Very low | 146 Ų | 146 | 143.9 Ų | 143.9 | 76% | 0.764 | 82% | 0.82 | S | S | * | * | S | Bend | trans | 63.9 | 119.1 | 165 | -161.5 | 75 | 0 | 0 | 0 | 117.9 | ||
| 386 | F | 33.2 | Very low | 36.2 | Very low | 192 Ų | 192 | 142 Ų | 142 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | trans | 97.7 | 13 | 171 | -57.2 | -65.1 | 0 | 0 | 0 | 120.3 | ||||
| 387 | D | 33.2 | Very low | 36.1 | Very low | 166 Ų | 166 | 141.8 Ų | 141.8 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -97.4 | 95.2 | 155.2 | -78.6 | -53.4 | 0 | 0 | 0 | 109.7 | ||||
| 388 | D | 34.7 | Very low | 35.9 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | -179.2 | 83.5 | 156.3 | -107.3 | -24.2 | 0 | 0 | 0 | 111.9 | ||||
| 389 | W | 31.4 | Very low | 35.8 | Very low | 249 Ų | 249 | 142.3 Ų | 142.3 | 94% | 0.943 | 81% | 0.814 | S | S | * | * | 169.4 | 133.3 | 125.2 | -102.8 | -12.3 | 0 | 0 | 0 | 112.7 | |||||
| 390 | V | 37.3 | Very low | 35.4 | Very low | 137 Ų | 137 | 142 Ų | 142 | 83% | 0.83 | 82% | 0.817 | S | S | * | * | trans | -108.5 | 142.2 | 154 | 172.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 391 | D | 34.8 | Very low | 34.8 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | trans | -58.7 | 143.1 | -173.5 | -77.4 | -66 | 0 | 0 | 0 | 114.3 | ||||
| 392 | A | 38 | Very low | 34.3 | Very low | 85 Ų | 85 | 136.6 Ų | 136.6 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | trans | -84.1 | 177.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 393 | P | 35.7 | Very low | 34.2 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -122.2 | 150.3 | 130.5 | 35.4 | -30.5 | 0 | 0 | 0 | 113 | ||||
| 394 | K | 33 | Very low | 34.3 | Very low | 195 Ų | 195 | 140.2 Ų | 140.2 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | -99.2 | 145.2 | -178.2 | -57.8 | 173.5 | -179.1 | 174.6 | 0 | 112.5 | ||||
| 395 | L | 35.5 | Very low | 34.3 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | trans | -163.1 | 152.5 | 138.5 | -79.3 | -165.4 | 0 | 0 | 0 | 106.6 | ||||
| 396 | S | 34.8 | Very low | 34.3 | Very low | 87 Ų | 87 | 141.9 Ų | 141.9 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | cis | -158.6 | 165.8 | -4.6 | 42.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 397 | E | 36.1 | Very low | 34.4 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | 64.3 | 134 | 163.7 | -68.5 | 153.6 | -170.7 | 0 | 0 | 118.4 | ||||
| 398 | S | 32.9 | Very low | 34.4 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | cis | 101.5 | 138.2 | 22.2 | -172.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 399 | P | 38.8 | Very low | 34.2 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | cis | -137.3 | -151.7 | -31.7 | 37.4 | -16.9 | 0 | 0 | 0 | 113 | ||||
| 400 | V | 31 | Very low | 34.3 | Very low | 123 Ų | 123 | 130 Ų | 130 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | trans | 93.6 | 93.4 | 162.7 | -163.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 401 | V | 30 | Very low | 34 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 62% | 0.618 | 77% | 0.766 | S | S | * | * | 68.2 | 129.9 | 63.7 | 180 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 402 | S | 31 | Very low | 34.1 | Very low | 117 Ų | 117 | 128 Ų | 128 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | -150.7 | 161.3 | 66.2 | -65 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 403 | V | 32.9 | Very low | 33.7 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -112.4 | 174.2 | 174.6 | 168.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 404 | P | 36.2 | Very low | 33.4 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | cis | -119.7 | -165 | -16 | 26.8 | -3.9 | 0 | 0 | 0 | 113.3 | ||||
| 405 | T | 32.3 | Very low | 33.1 | Very low | 126 Ų | 126 | 124.7 Ų | 124.7 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | -170.4 | 145.9 | 87.9 | -62.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 406 | V | 37.3 | Very low | 32.6 | Very low | 134 Ų | 134 | 122.1 Ų | 122.1 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | trans | -129.4 | 141.2 | -179.1 | 157.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 407 | P | 36.6 | Very low | 32.3 | Very low | 104 Ų | 104 | 122.3 Ų | 122.3 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | -138.5 | -161.5 | 83.7 | 25.1 | 0.9 | 0 | 0 | 0 | 113.3 | |||||
| 408 | N | 32 | Very low | 31.9 | Very low | 124 Ų | 124 | 122.1 Ų | 122.1 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | cis | -161.3 | 153 | 10.1 | -140.5 | -20.5 | 0 | 0 | 0 | 114.1 | ||||
| 409 | K | 30.7 | Very low | 31.8 | Very low | 181.5 Ų | 181.5 | 122.8 Ų | 122.8 | 79% | 0.789 | 75% | 0.752 | S | S | * | * | trans | 24.1 | 147.5 | 156.1 | -69.7 | 162.5 | -171.5 | 177.9 | 0 | 119 | ||||
| 410 | S | 32.6 | Very low | 31.5 | Very low | 104 Ų | 104 | 123 Ų | 123 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | cis | -169.9 | 141.9 | 34 | 40.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 411 | N | 32.5 | Very low | 31.4 | Very low | 155 Ų | 155 | 122.4 Ų | 122.4 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | -9.9 | 170.5 | 148.6 | -69.3 | -7.1 | 0 | 0 | 0 | 115.5 | ||||
| 412 | P | 36.8 | Very low | 31.4 | Very low | 103.5 Ų | 103.5 | 124.6 Ų | 124.6 | 67% | 0.672 | 76% | 0.76 | S | S | * | * | cis | -145.6 | -175.8 | -13.1 | 39.5 | -18.7 | 0 | 0 | 0 | 116.3 | ||||
| 413 | T | 28.4 | Very low | 31.3 | Very low | 142 Ų | 142 | 123.8 Ų | 123.8 | 87% | 0.871 | 76% | 0.755 | S | S | * | * | trans | 65.6 | 142.2 | 150.6 | 41.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 414 | G | 29.3 | Very low | 31.2 | Very low | 75 Ų | 75 | 121.5 Ų | 121.5 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | 137.7 | 129.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 415 | C | 26.6 | Very low | 30.9 | Very low | 123.5 Ų | 123.5 | 120.6 Ų | 120.6 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | 140.1 | 140.4 | 107.8 | -133.8 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 416 | T | 26.3 | Very low | 30.9 | Very low | 117 Ų | 117 | 119 Ų | 119 | 72% | 0.718 | 73% | 0.731 | S | S | * | * | 131.8 | 118.3 | 101.2 | 45.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 417 | S | 27.3 | Very low | 30.8 | Very low | 92.5 Ų | 92.5 | 116 Ų | 116 | 65% | 0.647 | 72% | 0.72 | S | S | * | * | 77.3 | 149.3 | 106.9 | 84.9 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 418 | Q | 27.5 | Very low | 30.5 | Very low | 175.5 Ų | 175.5 | 115.5 Ų | 115.5 | 82% | 0.82 | 73% | 0.725 | S | S | * | * | trans | 91.3 | 119.8 | 154.9 | -60.7 | -177.2 | 63.1 | 0 | 0 | 120.7 | ||||
| 419 | T | 32.5 | Very low | 30.7 | Very low | 121.5 Ų | 121.5 | 115.7 Ų | 115.7 | 75% | 0.745 | 73% | 0.73 | S | S | * | * | trans | -38.2 | 155 | 149.4 | 28.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 420 | P | 30.9 | Very low | 30.8 | Very low | 116.5 Ų | 116.5 | 114.9 Ų | 114.9 | 76% | 0.756 | 73% | 0.727 | S | S | * | * | -136.5 | 174.6 | 79.7 | 41.9 | -28.2 | 0 | 0 | 0 | 114.3 | |||||
| 421 | C | 28.8 | Very low | 30.7 | Very low | 110 Ų | 110 | 117.4 Ų | 117.4 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | -17 | 161.1 | 122.7 | -53.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 422 | I | 29.9 | Very low | 30.7 | Very low | 148.5 Ų | 148.5 | 119.1 Ų | 119.1 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | -174.7 | 136.8 | 75.3 | -86.6 | 167.9 | 0 | 0 | 0 | 109.3 | |||||
| 423 | S | 29.7 | Very low | 30.2 | Very low | 99.5 Ų | 99.5 | 120.5 Ų | 120.5 | 70% | 0.696 | 73% | 0.728 | S | S | * | * | trans | 40.8 | 144.5 | 143.2 | -45.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 424 | S | 30.1 | Very low | 30.1 | Very low | 86 Ų | 86 | 118.7 Ų | 118.7 | 60% | 0.601 | 72% | 0.72 | S | S | * | * | 158 | 172.6 | 53 | -63.4 | 0 | 0 | 0 | 0 | 110.8 | S608 | S424-S608 WeakPolarHBondContact OG-CB 3.27Å; S424-S608 PolarHBondContact OG-OG 2.87Å; S424-S608 VanDerWaalsContact OG-OG 3.09Å | |||
| 425 | T | 30.4 | Very low | 30 | Very low | 93.5 Ų | 93.5 | 122.2 Ų | 122.2 | 57% | 0.574 | 72% | 0.72 | S | S | * | * | cis | -172.8 | 173 | 1 | 5.4 | 0 | 0 | 0 | 0 | 112.4 | Y607 S608 | T425-Y607 HydrophobicContact CG2-CD1 3.95Å; T425-Y607 HydrophobicContact CG2-CG 4.35Å; T425-Y607 WeakPolarHBondContact OG1-CD1 3.15Å; T425-Y607 WeakPolarHBondContact OG1-CE1 3.38Å; T425-S608 VanDerWaalsContact CG2-CA 3.44Å; T425-S608 WeakPolarHBondContact CG2-OG 3.47Å | ||
| 426 | S | 31.7 | Very low | 30 | Very low | 91.5 Ų | 91.5 | 121.9 Ų | 121.9 | 64% | 0.64 | 72% | 0.718 | S | S | * | * | 128.9 | 172.3 | 62 | -162.2 | 0 | 0 | 0 | 0 | 114.5 | Y607 | S426-Y607 PolarHBondContact OG-N 3.45Š| |||
| 427 | A | 35.4 | Very low | 30.2 | Very low | 70.5 Ų | 70.5 | 119.8 Ų | 119.8 | 58% | 0.583 | 71% | 0.712 | S | S | * | * | 157.1 | 118.2 | 72 | 0 | 0 | 0 | 0 | 0 | 117 | T605 | A427-T605 HydrophobicContact CB-CG2 3.42Å; A427-T605 VanDerWaalsContact CB-CG2 3.42Å | |||
| 428 | A | 32 | Very low | 30.3 | Very low | 94 Ų | 94 | 121.9 Ų | 121.9 | 78% | 0.777 | 72% | 0.716 | S | S | * | * | 54.6 | 141.2 | 88 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 429 | V | 34.9 | Very low | 30.6 | Very low | 129 Ų | 129 | 120.2 Ų | 120.2 | 78% | 0.782 | 71% | 0.713 | S | S | * | * | trans | 133.6 | 136.5 | 146 | 163.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 430 | K | 32.6 | Very low | 30.7 | Very low | 164.5 Ų | 164.5 | 122.2 Ų | 122.2 | 72% | 0.715 | 71% | 0.713 | S | S | * | * | cis | -161.3 | 137.4 | -20 | -139.2 | 165.3 | -178.7 | 163.2 | 0 | 109.9 | ||||
| 431 | E | 30.5 | Very low | 30.9 | Very low | 156.5 Ų | 156.5 | 121.5 Ų | 121.5 | 73% | 0.731 | 71% | 0.712 | S | S | * | * | trans | -21.5 | 155.3 | 152.5 | -122.6 | -177.2 | -173.2 | 0 | 0 | 117.6 | ||||
| 432 | K | 32.7 | Very low | 31.2 | Very low | 191.5 Ų | 191.5 | 123.1 Ų | 123.1 | 83% | 0.833 | 72% | 0.718 | S | S | * | * | trans | 144.1 | 131.4 | 158.2 | -72.7 | -164.2 | 175.5 | -172.7 | 0 | 112.5 | ||||
| 433 | L | 26.7 | Very low | 31.4 | Very low | 132.5 Ų | 132.5 | 119.1 Ų | 119.1 | 69% | 0.694 | 71% | 0.713 | S | S | * | * | cis | 130.3 | 137.3 | -10.5 | -128.8 | -179.4 | 0 | 0 | 0 | 111.7 | ||||
| 434 | C | 26.6 | Very low | 31.5 | Very low | 104 Ų | 104 | 119.5 Ų | 119.5 | 70% | 0.703 | 72% | 0.716 | S | S | * | * | trans | 67.2 | 161.1 | 165.5 | -76.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 435 | I | 26.5 | Very low | 31.5 | Very low | 148.5 Ų | 148.5 | 123.1 Ų | 123.1 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | cis | -148.7 | 166.6 | -11.1 | -91.7 | 167.4 | 0 | 0 | 0 | 110.3 | ||||
| 436 | C | 27.4 | Very low | 31.8 | Very low | 116.5 Ų | 116.5 | 123.9 Ų | 123.9 | 79% | 0.787 | 73% | 0.734 | S | S | * | * | trans | 13.7 | 167.2 | 164.7 | -56.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 437 | A | 30.1 | Very low | 31.8 | Very low | 73.5 Ų | 73.5 | 131.3 Ų | 131.3 | 61% | 0.607 | 75% | 0.748 | S | S | * | * | cis | -164.7 | 164.5 | -5.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 438 | D | 30.1 | Very low | 31.6 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | 122 | 154.6 | 70.2 | -81.3 | -21.7 | 0 | 0 | 0 | 115.8 | |||||
| 439 | N | 33.8 | Very low | 31.8 | Very low | 139.5 Ų | 139.5 | 134.6 Ų | 134.6 | 75% | 0.746 | 76% | 0.758 | S | S | * | * | trans | 68.6 | 146.8 | 150 | -64.1 | -13 | 0 | 0 | 0 | 119.4 | ||||
| 440 | E | 34.6 | Very low | 31.5 | Very low | 163.5 Ų | 163.5 | 135.9 Ų | 135.9 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | cis | -147.5 | 140.2 | -3.1 | -91.6 | -176.9 | 151.5 | 0 | 0 | 109.7 | ||||
| 441 | S | 34.1 | Very low | 31.4 | Very low | 103.5 Ų | 103.5 | 131.8 Ų | 131.8 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | 79.1 | 144.3 | 119.5 | 85 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 442 | V | 34.5 | Very low | 31.4 | Very low | 143.5 Ų | 143.5 | 131.4 Ų | 131.4 | 87% | 0.87 | 75% | 0.752 | S | S | * | * | 136.3 | 143.8 | 88 | -173.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 443 | G | 34 | Very low | 31.2 | Very low | 63.5 Ų | 63.5 | 129 Ų | 129 | 66% | 0.655 | 75% | 0.747 | S | S | * | * | cis | 174.1 | -147.6 | -2.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 444 | S | 32.6 | Very low | 31.5 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | -29.4 | 118.2 | 173.7 | 57.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 445 | L | 30.6 | Very low | 31.7 | Very low | 161.5 Ų | 161.5 | 128.6 Ų | 128.6 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | 61.7 | 139.9 | 87.9 | -70.7 | 151.4 | 0 | 0 | 0 | 117.9 | |||||
| 446 | P | 35.8 | Very low | 31.8 | Very low | 110.5 Ų | 110.5 | 128.6 Ų | 128.6 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | -115.1 | -175.6 | -116.4 | 37.2 | -25.9 | 0 | 0 | 0 | 112.8 | |||||
| 447 | R | 32.3 | Very low | 31.9 | Very low | 246 Ų | 246 | 127.8 Ų | 127.8 | 93% | 0.928 | 75% | 0.745 | S | S | * | * | trans | 147.1 | 157.9 | 161.5 | -98.4 | 175.6 | 172.7 | 129 | -2.2 | 116.4 | ||||
| 448 | S | 31.5 | Very low | 31.8 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | -76.6 | 165.2 | -177.7 | -46 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 449 | P | 35.1 | Very low | 32.1 | Very low | 121.5 Ų | 121.5 | 133.3 Ų | 133.3 | 79% | 0.789 | 76% | 0.755 | S | S | * | * | trans | -102.1 | 142.1 | 162.2 | 34.4 | -31.3 | 0 | 0 | 0 | 113.6 | ||||
| 450 | L | 29.5 | Very low | 32 | Very low | 155.5 Ų | 155.5 | 131.8 Ų | 131.8 | 81% | 0.814 | 75% | 0.751 | S | S | * | * | trans | -117.7 | 167 | 148.2 | -87.3 | 174.6 | 0 | 0 | 0 | 109.1 | ||||
| 451 | S | 30.5 | Very low | 31.9 | Very low | 80 Ų | 80 | 130.3 Ų | 130.3 | 56% | 0.559 | 75% | 0.753 | S | S | * | * | trans | 3.4 | 146.7 | 175.5 | 54 | 0 | 0 | 0 | 0 | 114 | D1113 | S451-D1113 WeakPolarHBondContact CB-OD2 3.31Å; S451-D1113 PolarHBondContact OG-OD2 3.07Å | ||
| 452 | M | 30.6 | Very low | 32 | Very low | 147.5 Ų | 147.5 | 131.4 Ų | 131.4 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | -163.8 | 155.5 | 70.7 | -102.6 | -65.6 | 95.8 | 0 | 0 | 110.3 | |||||
| 453 | L | 28.6 | Very low | 32 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | 19.6 | 150.6 | 161.1 | -75.1 | 117 | 0 | 0 | 0 | 119.1 | ||||
| 454 | S | 32.7 | Very low | 32.2 | Very low | 103.5 Ų | 103.5 | 133.9 Ų | 133.9 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | -147.4 | 130.5 | 55.6 | -175.8 | 0 | 0 | 0 | 0 | 109 | |||||
| 455 | N | 29.9 | Very low | 32.4 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 67% | 0.674 | 76% | 0.757 | S | S | * | * | 1.5 | 141 | 121.4 | -67.2 | -8.8 | 0 | 0 | 0 | 115.8 | |||||
| 456 | N | 29.4 | Very low | 32.6 | Very low | 148.5 Ų | 148.5 | 134.6 Ų | 134.6 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | trans | 81.4 | 124.6 | 153 | -61.3 | -6 | 0 | 0 | 0 | 118.6 | ||||
| 457 | S | 30.2 | Very low | 32.5 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | 134.8 | 123.3 | 55.8 | -13.7 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 458 | Y | 27.3 | Very low | 32.6 | Very low | 218.5 Ų | 218.5 | 129.1 Ų | 129.1 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | trans | -1.2 | 164.3 | 155.4 | -68.8 | -79.2 | 0 | 0 | 0 | 113.6 | ||||
| 459 | P | 36.5 | Very low | 32.7 | Very low | 107 Ų | 107 | 128 Ų | 128 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | -131.7 | 144.1 | 50.6 | 38.7 | -26.4 | 0 | 0 | 0 | 115.1 | |||||
| 460 | T | 32.6 | Very low | 32.5 | Very low | 107.5 Ų | 107.5 | 128.5 Ų | 128.5 | 66% | 0.66 | 73% | 0.728 | S | S | * | * | 67.8 | 124.2 | 91.3 | 65.2 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 461 | T | 32.1 | Very low | 32.7 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 82% | 0.816 | 72% | 0.723 | S | S | * | * | trans | 75.6 | 141.3 | 149.3 | 67.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 462 | S | 35.4 | Very low | 32.6 | Very low | 125.5 Ų | 125.5 | 130.1 Ų | 130.1 | 88% | 0.878 | 73% | 0.726 | S | S | * | * | 145.1 | 149.2 | -92.3 | 74.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 463 | G | 34.3 | Very low | 32.7 | Very low | 65.5 Ų | 65.5 | 128.5 Ų | 128.5 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | cis | 156.2 | 141.8 | -5.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 464 | K | 39.9 | Very low | 32.8 | Very low | 194.5 Ų | 194.5 | 127.5 Ų | 127.5 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | trans | 69.8 | 143.6 | 174.6 | -68.8 | 179.1 | -179.8 | 177.3 | 0 | 116.9 | ||||
| 465 | N | 36.1 | Very low | 32.7 | Very low | 129.5 Ų | 129.5 | 128.1 Ų | 128.1 | 69% | 0.693 | 73% | 0.734 | S | S | * | * | 143.2 | 134.5 | 65.1 | -84.6 | -6.9 | 0 | 0 | 0 | 116 | |||||
| 466 | I | 34.9 | Very low | 32.6 | Very low | 155 Ų | 155 | 125.8 Ų | 125.8 | 80% | 0.795 | 73% | 0.732 | S | S | * | * | trans | 74.3 | 138.9 | 143.9 | -66.7 | 166.9 | 0 | 0 | 0 | 117.2 | ||||
| 467 | P | 33.9 | Very low | 32.6 | Very low | 106.5 Ų | 106.5 | 125.4 Ų | 125.4 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | trans | -120.3 | -177.1 | -152.1 | 43.1 | -32.3 | 0 | 0 | 0 | 115 | ||||
| 468 | V | 33.6 | Very low | 32.6 | Very low | 134 Ų | 134 | 126.2 Ų | 126.2 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | trans | 131 | 147.7 | 139.5 | 141.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 469 | P | 34.7 | Very low | 32.6 | Very low | 89.5 Ų | 89.5 | 122.2 Ų | 122.2 | 58% | 0.581 | 73% | 0.733 | S | S | * | * | -139.7 | -161.3 | -93.7 | 41.5 | -21.3 | 0 | 0 | 0 | 115.5 | |||||
| 470 | F | 29.1 | Very low | 32.2 | Very low | 131.5 Ų | 131.5 | 122.6 Ų | 122.6 | 58% | 0.577 | 74% | 0.739 | S | S | * | * | trans | 72.9 | 135.9 | 153.5 | -72.5 | -71.3 | 0 | 0 | 0 | 121.4 | Q846 | F470-Q846 HydrophobicContact CD1-CB 4.22Å; F470-Q846 HydrophobicContact CD1-CG 3.98Å; F470-Q846 HydrophobicContact CE1-CB 3.59Å; F470-Q846 HydrophobicContact CE1-CG 3.3Å; F470-Q846 HydrophobicContact CZ-CB 4.34Å; F470-Q846 HydrophobicContact CZ-CG 3.63Å | ||
| 471 | H | 34.6 | Very low | 32.1 | Very low | 154 Ų | 154 | 121.9 Ų | 121.9 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | 138 | 154.1 | 125.2 | -84.9 | -73 | 0 | 0 | 0 | 116.3 | |||||
| 472 | N | 29.1 | Very low | 32.1 | Very low | 116.5 Ų | 116.5 | 120.8 Ų | 120.8 | 62% | 0.623 | 74% | 0.742 | S | S | * | * | -126.9 | 145.7 | -107.3 | -106.9 | -5.7 | 0 | 0 | 0 | 111.9 | Q846 | N472-Q846 PolarHBondContact ND2-O 3.24Š| |||
| 473 | S | 31.5 | Very low | 31.9 | Very low | 113.5 Ų | 113.5 | 119.3 Ų | 119.3 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | trans | -29.5 | 133.1 | 157.8 | -65.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 474 | T | 30 | Very low | 31.8 | Very low | 119.5 Ų | 119.5 | 122.1 Ų | 122.1 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | -125.3 | 138.9 | -113.4 | -68 | 0 | 0 | 0 | 0 | 109.2 | A476 | T474-A476 VanDerWaalsContact C-N 3.26Å; T474-A476 HydrophobicContact CG2-CB 4.37Å; T474-A476 PolarHBondContact O-N 3.38Å | |||
| 475 | S | 31.3 | Very low | 31.2 | Very low | 115.5 Ų | 115.5 | 117.2 Ų | 117.2 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | trans | -1.1 | 106.1 | 174 | 67.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 476 | A | 28.5 | Very low | 30.9 | Very low | 77 Ų | 77 | 116.7 Ų | 116.7 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | 8.9 | 145.2 | 100.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T474 T478 | T474-A476 VanDerWaalsContact C-N 3.26Å; T474-A476 HydrophobicContact CG2-CB 4.37Å; T474-A476 PolarHBondContact O-N 3.38Å; A476-T478 HydrophobicContact CB-CG2 4.13Å; A476-T478 PolarHBondContact O-N 3.28Å | |||
| 477 | V | 30 | Very low | 30.5 | Very low | 141 Ų | 141 | 114.1 Ų | 114.1 | 86% | 0.855 | 73% | 0.734 | S | S | * | * | trans | 0 | 73.3 | 169.8 | -171.4 | 0 | 0 | 0 | 0 | 112.2 | V479 | V477-V479 PolarHBondContact O-N 3.06Š| ||
| 478 | T | 28.7 | Very low | 30.2 | Very low | 115.5 Ų | 115.5 | 116.6 Ų | 116.6 | 71% | 0.709 | 74% | 0.74 | S | S | * | * | trans | -15.6 | 126.5 | 149.2 | 46 | 0 | 0 | 0 | 0 | 117.2 | A476 S480 | A476-T478 HydrophobicContact CB-CG2 4.13Å; A476-T478 PolarHBondContact O-N 3.28Å; T478-S480 PolarHBondContact O-N 3.28Å | ||
| 479 | V | 28.1 | Very low | 29.8 | Very low | 134 Ų | 134 | 114.9 Ų | 114.9 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | trans | 43.6 | 121.4 | 142 | 179.4 | 0 | 0 | 0 | 0 | 116 | V477 A481 | V477-V479 PolarHBondContact O-N 3.06Å; V479-A481 VanDerWaalsContact C-N 3.29Å; V479-A481 HydrophobicContact CG1-CB 4.29Å; V479-A481 PolarHBondContact O-N 2.94Å | ||
| 480 | S | 28.5 | Very low | 29.5 | Very low | 117 Ų | 117 | 116.6 Ų | 116.6 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | -104.4 | 130 | 85.7 | -114.2 | 0 | 0 | 0 | 0 | 111.5 | T478 S482 | T478-S480 PolarHBondContact O-N 3.28Å; S480-S482 PolarHBondContact O-N 2.66Å | |||
| 481 | A | 29.5 | Very low | 29.4 | Very low | 91.5 Ų | 91.5 | 115.5 Ų | 115.5 | 76% | 0.756 | 75% | 0.751 | S | S | * | * | trans | -84.7 | 111.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V479 A483 | V479-A481 VanDerWaalsContact C-N 3.29Å; V479-A481 HydrophobicContact CG1-CB 4.29Å; V479-A481 PolarHBondContact O-N 2.94Å; A481-A483 VanDerWaalsContact C-N 3.3Å; A481-A483 PolarHBondContact O-N 3.38Å | ||
| 482 | S | 32.8 | Very low | 29.1 | Very low | 110 Ų | 110 | 117.7 Ų | 117.7 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -115.6 | 105.9 | 163 | -170.3 | 0 | 0 | 0 | 0 | 110.5 | S480 V484 | S480-S482 PolarHBondContact O-N 2.66Å; S482-V484 PolarHBondContact O-N 3.08Å | ||
| 483 | A | 29.7 | Very low | 29.1 | Very low | 94 Ų | 94 | 117.9 Ų | 117.9 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | trans | -85.4 | 126.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110.3 | A481 | A481-A483 VanDerWaalsContact C-N 3.3Å; A481-A483 PolarHBondContact O-N 3.38Å | ||
| 484 | V | 32.4 | Very low | 29 | Very low | 125 Ų | 125 | 119 Ų | 119 | 76% | 0.758 | 76% | 0.761 | S | S | * | * | trans | -130.4 | 115.3 | 150.1 | 158 | 0 | 0 | 0 | 0 | 108.4 | S482 V486 | S482-V484 PolarHBondContact O-N 3.08Å; V484-V486 HydrophobicContact CG1-CG2 3.64Å; V484-V486 PolarHBondContact O-N 3.25Å | ||
| 485 | A | 27.1 | Very low | 29 | Very low | 91 Ų | 91 | 119.6 Ų | 119.6 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | -87.7 | 157.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 486 | V | 30.7 | Very low | 29 | Very low | 119.5 Ų | 119.5 | 119.8 Ų | 119.8 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | trans | 169.2 | 102.9 | 175 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | V484 L488 | V484-V486 HydrophobicContact CG1-CG2 3.64Å; V484-V486 PolarHBondContact O-N 3.25Å; V486-L488 HydrophobicContact CG1-CB 4.19Å; V486-L488 HydrophobicContact CG1-CD1 3.76Å; V486-L488 HydrophobicContact CG1-CG 3.88Å; V486-L488 PolarHBondContact O-N 3.07Å | ||
| 487 | S | 25.9 | Very low | 28.9 | Very low | 101 Ų | 101 | 120.8 Ų | 120.8 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | -129.3 | 116 | -114.9 | -80 | 0 | 0 | 0 | 0 | 108.4 | S489 | S487-S489 PolarHBondContact O-N 3.44Å; S487-S489 VanDerWaalsContact O-N 3.14Å | |||
| 488 | L | 27.7 | Very low | 29.2 | Very low | 159 Ų | 159 | 119.5 Ų | 119.5 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -10.3 | 118.7 | 167.2 | -78.1 | 166.6 | 0 | 0 | 0 | 113.4 | V486 V490 | V486-L488 HydrophobicContact CG1-CB 4.19Å; V486-L488 HydrophobicContact CG1-CD1 3.76Å; V486-L488 HydrophobicContact CG1-CG 3.88Å; V486-L488 PolarHBondContact O-N 3.07Å; L488-V490 PolarHBondContact O-N 3.21Å | ||
| 489 | S | 25.5 | Very low | 29.4 | Very low | 97.5 Ų | 97.5 | 118.9 Ų | 118.9 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | -128.5 | 108.5 | -102.2 | 52.4 | 0 | 0 | 0 | 0 | 111.6 | S487 | S487-S489 PolarHBondContact O-N 3.44Å; S487-S489 VanDerWaalsContact O-N 3.14Å | |||
| 490 | V | 29 | Very low | 29.5 | Very low | 125.5 Ų | 125.5 | 123.3 Ų | 123.3 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | trans | 131 | 108.9 | 158.2 | -174.1 | 0 | 0 | 0 | 0 | 113 | L488 | L488-V490 PolarHBondContact O-N 3.21Š| ||
| 491 | S | 27.7 | Very low | 29.5 | Very low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | 141.7 | 141.8 | 97.3 | -172 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 492 | K | 28.1 | Very low | 29.4 | Very low | 200 Ų | 200 | 128.6 Ų | 128.6 | 87% | 0.87 | 76% | 0.755 | S | S | * | * | trans | -12.8 | 166.1 | -174.9 | -80.4 | -177.2 | 175.4 | 177.5 | 0 | 114.4 | ||||
| 493 | V | 28.7 | Very low | 29.3 | Very low | 120.5 Ų | 120.5 | 130.1 Ų | 130.1 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | 143.1 | 146.8 | -109 | 130.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 494 | N | 29.3 | Very low | 29.4 | Very low | 135 Ų | 135 | 131.1 Ų | 131.1 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | 134.7 | 122.7 | 74.9 | -91.2 | -0.2 | 0 | 0 | 0 | 115.7 | |||||
| 495 | T | 28.8 | Very low | 29.5 | Very low | 132.5 Ų | 132.5 | 131.8 Ų | 131.8 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | 76.8 | 159.1 | 134.1 | 43 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 496 | P | 32.5 | Very low | 29.8 | Very low | 119.5 Ų | 119.5 | 133.8 Ų | 133.8 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | cis | -122.8 | 172.6 | -10 | 37.8 | -22.6 | 0 | 0 | 0 | 113.9 | ||||
| 497 | S | 27 | Very low | 29.8 | Very low | 98.5 Ų | 98.5 | 135.9 Ų | 135.9 | 69% | 0.689 | 76% | 0.755 | S | S | * | * | trans | -95.3 | 153.6 | 173.5 | 60.4 | 0 | 0 | 0 | 0 | 112.7 | T499 | S497-T499 VanDerWaalsContact C-N 3.29Å; S497-T499 WeakPolarHBondContact CB-OG1 3.35Å; S497-T499 PolarHBondContact O-N 3.07Å; S497-T499 PolarHBondContact OG-OG1 3.31Å | ||
| 498 | P | 35.8 | Very low | 30.1 | Very low | 114.5 Ų | 114.5 | 137.7 Ų | 137.7 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | -112.2 | 132.7 | 77.4 | 32.6 | -18.9 | 0 | 0 | 0 | 112.4 | R500 | P498-R500 PolarHBondContact O-N 3.44Š| |||
| 499 | T | 31.8 | Very low | 30.3 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 63% | 0.632 | 76% | 0.755 | S | S | * | * | trans | 0.5 | 122.8 | 166.1 | -0.2 | 0 | 0 | 0 | 0 | 117.6 | S497 L501 | S497-T499 VanDerWaalsContact C-N 3.29Å; S497-T499 WeakPolarHBondContact CB-OG1 3.35Å; S497-T499 PolarHBondContact O-N 3.07Å; S497-T499 PolarHBondContact OG-OG1 3.31Å; T499-L501 HydrophobicContact CG2-CD1 4.35Å; T499-L501 PolarHBondContact O-N 3Å | ||
| 500 | R | 30.4 | Very low | 30.4 | Very low | 226.5 Ų | 226.5 | 138.3 Ų | 138.3 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | 5.2 | 138.9 | 148.6 | -64 | 174.8 | 176.7 | -149.8 | -1.9 | 113.1 | P498 | P498-R500 PolarHBondContact O-N 3.44Š| ||
| 501 | L | 28.8 | Very low | 30.6 | Very low | 131.5 Ų | 131.5 | 138 Ų | 138 | 69% | 0.688 | 76% | 0.756 | S | S | * | * | -159.2 | 129.9 | 72.8 | -105.1 | 160.2 | 0 | 0 | 0 | 110.2 | T499 | T499-L501 HydrophobicContact CG2-CD1 4.35Å; T499-L501 PolarHBondContact O-N 3Å | |||
| 502 | F | 27.8 | Very low | 30.9 | Very low | 187.5 Ų | 187.5 | 139.8 Ų | 139.8 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -63 | 116.3 | 159.7 | -73.9 | -68.9 | 0 | 0 | 0 | 114.9 | ||||
| 503 | D | 30.7 | Very low | 30.9 | Very low | 141.5 Ų | 141.5 | 138.4 Ų | 138.4 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | trans | 118.2 | 125.4 | 138 | -73.6 | -19.9 | 0 | 0 | 0 | 116.6 | ||||
| 504 | S | 32.5 | Very low | 30.9 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | 130.1 | 151.5 | 145.1 | -78.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 505 | L | 34.3 | Very low | 30.9 | Very low | 140 Ų | 140 | 136.6 Ų | 136.6 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | cis | -175 | 147.2 | -16.4 | -169.3 | 67.7 | 0 | 0 | 0 | 108 | ||||
| 506 | D | 32.3 | Very low | 31 | Very low | 133.5 Ų | 133.5 | 135.7 Ų | 135.7 | 71% | 0.714 | 75% | 0.754 | S | S | * | * | trans | 65.3 | 145.3 | 156.1 | -69.5 | -17.6 | 0 | 0 | 0 | 124.1 | ||||
| 507 | E | 31.4 | Very low | 30.7 | Very low | 163.5 Ų | 163.5 | 135.3 Ų | 135.3 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | -23.3 | 131.9 | 162.7 | -51.9 | -176.6 | 144.3 | 0 | 0 | 117 | ||||
| 508 | N | 31.5 | Very low | 30.9 | Very low | 137.5 Ų | 137.5 | 134.8 Ų | 134.8 | 74% | 0.735 | 76% | 0.756 | S | S | * | * | -177 | 161.3 | 101.9 | -103.1 | -70 | 0 | 0 | 0 | 116.6 | |||||
| 509 | L | 32 | Very low | 30.9 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | 51.3 | 119.6 | 160.1 | -98.6 | 64.9 | 0 | 0 | 0 | 121.2 | ||||
| 510 | T | 29 | Very low | 31 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | trans | -33.7 | 157.3 | 147.1 | 56.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 511 | T | 32.7 | Very low | 31.2 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | 139.1 | 148 | 137 | 48 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 512 | N | 34.6 | Very low | 31.3 | Very low | 146.5 Ų | 146.5 | 138.1 Ų | 138.1 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | 70.7 | 75.4 | 153.3 | -53.8 | -27 | 0 | 0 | 0 | 121.2 | ||||
| 513 | L | 27.7 | Very low | 31.6 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 89% | 0.885 | 77% | 0.768 | S | S | * | * | 31.8 | 127.8 | 117.1 | -130.1 | 75.4 | 0 | 0 | 0 | 121.3 | |||||
| 514 | S | 27.9 | Very low | 31.6 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | 80.5 | 134.3 | 130.6 | -163.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 515 | T | 30.4 | Very low | 31.7 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | 141.7 | 132.8 | 124.8 | -55.2 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 516 | C | 29.6 | Very low | 31.7 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | trans | 55 | 123.8 | 159.3 | -69.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 517 | S | 26.5 | Very low | 32.1 | Very low | 109.5 Ų | 109.5 | 133.5 Ų | 133.5 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | 32 | 152.8 | 72.9 | 61.9 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 518 | A | 30.8 | Very low | 32.4 | Very low | 88.5 Ų | 88.5 | 134.9 Ų | 134.9 | 73% | 0.731 | 78% | 0.778 | S | S | * | * | trans | 138 | 157.5 | 148.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 519 | L | 36.7 | Very low | 32.7 | Very low | 163.5 Ų | 163.5 | 131.5 Ų | 131.5 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | 65.1 | 104.9 | 173.3 | -59.7 | 156.9 | 0 | 0 | 0 | 115.2 | ||||
| 520 | E | 32.9 | Very low | 32.9 | Very low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | cis | 84.3 | 121 | 15.5 | -162.1 | 171.6 | -156.3 | 0 | 0 | 116.6 | ||||
| 521 | E | 34.5 | Very low | 33 | Very low | 173 Ų | 173 | 132.4 Ų | 132.4 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | 133.3 | 154.9 | 160.6 | -105.4 | -171.8 | 156.5 | 0 | 0 | 115.7 | ||||
| 522 | Q | 30.5 | Very low | 33 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 65% | 0.654 | 79% | 0.787 | S | S | * | * | cis | -167.4 | 105.6 | -47.6 | -173.9 | -174 | 130.7 | 0 | 0 | 110.4 | ||||
| 523 | V | 35.4 | Very low | 33 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | -142.3 | 113.4 | 162.1 | -174.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 524 | N | 30.7 | Very low | 33.6 | Very low | 135.5 Ų | 135.5 | 134.1 Ų | 134.1 | 73% | 0.725 | 79% | 0.791 | S | S | * | * | trans | -103.1 | 124.5 | -175.8 | -80.6 | -60.3 | 0 | 0 | 0 | 112.7 | ||||
| 525 | C | 34.9 | Very low | 34.3 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 89% | 0.892 | 79% | 0.794 | S | S | * | * | trans | -131.7 | 120.5 | 156.4 | -87.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 526 | A | 34 | Very low | 34.6 | Very low | 78.5 Ų | 78.5 | 141 Ų | 141 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | trans | -110.3 | 141.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | H528 | A526-H528 PolarHBondContact O-N 3.05Š| ||
| 527 | P | 40.5 | Very low | 34.8 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | trans | -83 | 124.9 | 170.2 | 33.1 | -32.8 | 0 | 0 | 0 | 111.4 | G529 | P527-G529 PolarHBondContact O-N 2.63Š| ||
| 528 | H | 38.1 | Very low | 35.1 | Very low | 192.5 Ų | 192.5 | 143.2 Ų | 143.2 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | trans | -89 | 94.3 | -178.6 | -77.4 | -50.9 | 0 | 0 | 0 | 114.1 | A526 L530 | A526-H528 PolarHBondContact O-N 3.05Å; H528-L530 PolarHBondContact O-N 2.66Å | ||
| 529 | G | 36.3 | Very low | 35.2 | Very low | 66 Ų | 66 | 145.5 Ų | 145.5 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | trans | 4 | 105.2 | 145.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | P527 A531 | P527-G529 PolarHBondContact O-N 2.63Å; G529-A531 PolarHBondContact O-N 3.46Å | ||
| 530 | L | 36.2 | Very low | 35 | Very low | 183.5 Ų | 183.5 | 145.7 Ų | 145.7 | 96% | 0.961 | 81% | 0.805 | S | S | * | * | trans | 121.6 | 71.9 | 138.7 | -84.8 | 175.5 | 0 | 0 | 0 | 113.9 | H528 | H528-L530 PolarHBondContact O-N 2.66Š| ||
| 531 | A | 32.1 | Very low | 34.7 | Very low | 106.5 Ų | 106.5 | 148.2 Ų | 148.2 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | trans | -133.4 | 53.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | G529 | G529-A531 PolarHBondContact O-N 3.46Š| ||
| 532 | A | 32.9 | Very low | 34.7 | Very low | 80.5 Ų | 80.5 | 147.9 Ų | 147.9 | 67% | 0.665 | 81% | 0.809 | S | S | * | * | trans | -127.3 | 152 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 533 | Y | 33.7 | Very low | 34.6 | Very low | 227.5 Ų | 227.5 | 145.7 Ų | 145.7 | 89% | 0.892 | 81% | 0.809 | S | S | * | * | trans | 69.8 | 48.9 | -175.6 | -56.8 | -80.8 | 0 | 0 | 0 | 117.2 | ||||
| 534 | L | 40.3 | Very low | 34.3 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | trans | -105.3 | 126.2 | 146 | -73.5 | 179.6 | 0 | 0 | 0 | 109.9 | R536 | L534-R536 PolarHBondContact O-N 3.3Š| ||
| 535 | P | 43.7 | Very low | 34.3 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | trans | -67.2 | 125.7 | 173.3 | -18.3 | 31.6 | 0 | 0 | 0 | 111.1 | C537 | P535-C537 PolarHBondContact O-N 3.14Å; P535-C537 VanDerWaalsContact O-N 3.13Å | ||
| 536 | R | 35.5 | Very low | 34.1 | Very low | 243.5 Ų | 243.5 | 145 Ų | 145 | 92% | 0.919 | 81% | 0.808 | S | S | * | * | trans | -76.9 | 95.9 | 169.2 | -73.6 | -180 | 175.2 | 155.3 | -2.6 | 109.9 | L534 N538 | L534-R536 PolarHBondContact O-N 3.3Å; R536-N538 PolarHBondContact O-N 2.87Å | ||
| 537 | C | 34.2 | Very low | 34.2 | Very low | 130.5 Ų | 130.5 | 146.7 Ų | 146.7 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | -72.3 | 118.8 | 156 | -68.1 | 0 | 0 | 0 | 0 | 108.2 | P535 | P535-C537 PolarHBondContact O-N 3.14Å; P535-C537 VanDerWaalsContact O-N 3.13Å | ||
| 538 | N | 33.6 | Very low | 33.6 | Very low | 140.5 Ų | 140.5 | 145.4 Ų | 145.4 | 75% | 0.751 | 81% | 0.806 | S | S | * | * | trans | -126.9 | 161.7 | 172.4 | -167.9 | 16.4 | 0 | 0 | 0 | 109.1 | R536 | R536-N538 PolarHBondContact O-N 2.87Š| ||
| 539 | N | 31.6 | Very low | 33.1 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -3.3 | 148.5 | -159.3 | -62.3 | -39.7 | 0 | 0 | 0 | 114.7 | ||||
| 540 | Q | 32.6 | Very low | 32.9 | Very low | 169.5 Ų | 169.5 | 147.3 Ų | 147.3 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | 153.8 | 157.4 | 76.3 | -70.4 | 175.8 | 10.5 | 0 | 0 | 116.8 | |||||
| 541 | R | 27.7 | Very low | 32.7 | Very low | 221.5 Ų | 221.5 | 142.6 Ų | 142.6 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | 153.8 | 134.4 | -179 | -117.4 | -173.7 | -109.9 | 178.8 | 1.4 | 110.3 | ||||
| 542 | I | 33.7 | Very low | 32.7 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | -133.4 | 144.7 | 103.8 | -65.2 | 166.7 | 0 | 0 | 0 | 109.4 | |||||
| 543 | S | 28.7 | Very low | 32.7 | Very low | 93 Ų | 93 | 147.6 Ų | 147.6 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | -118.4 | 160.2 | -179.7 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 544 | S | 29.5 | Very low | 32.7 | Very low | 118.5 Ų | 118.5 | 143.3 Ų | 143.3 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | 70.5 | 156.5 | 163.3 | 72.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 545 | A | 31.6 | Very low | 32.5 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | 139.6 | 144.1 | -103.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 546 | H | 30.2 | Very low | 32.2 | Very low | 186 Ų | 186 | 141.9 Ų | 141.9 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | -88.5 | 170.1 | 167.1 | -65.3 | -93.6 | 0 | 0 | 0 | 111.1 | ||||
| 547 | P | 35 | Very low | 32.1 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | -120.3 | 174.3 | 78.8 | 18.1 | 5 | 0 | 0 | 0 | 111.3 | |||||
| 548 | S | 28.2 | Very low | 32.1 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | cis | 137.5 | 133.6 | 29 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 549 | V | 28.6 | Very low | 32 | Very low | 110.5 Ų | 110.5 | 137.2 Ų | 137.2 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | 132.8 | 165 | 72.4 | -163.8 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 550 | F | 32.2 | Very low | 32.3 | Very low | 189.5 Ų | 189.5 | 133.7 Ų | 133.7 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | trans | 87.5 | 144 | 161.5 | -55.8 | -69 | 0 | 0 | 0 | 118.6 | ||||
| 551 | S | 30.9 | Very low | 32.5 | Very low | 84 Ų | 84 | 130.8 Ų | 130.8 | 59% | 0.587 | 73% | 0.729 | S | S | * | * | 178.5 | 153.2 | -54.7 | 56.8 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 552 | N | 31.7 | Very low | 32.8 | Very low | 141.5 Ų | 141.5 | 124.5 Ų | 124.5 | 76% | 0.757 | 72% | 0.719 | S | S | * | * | trans | 74.1 | 128.3 | 164.6 | -53.7 | 9.7 | 0 | 0 | 0 | 115.2 | ||||
| 553 | E | 32.8 | Very low | 33 | Very low | 150 Ų | 150 | 122.4 Ų | 122.4 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | cis | 141.7 | 169.1 | 33.3 | -93.5 | -18.9 | 144.7 | 0 | 0 | 110.9 | ||||
| 554 | D | 34.9 | Very low | 33.2 | Very low | 138.5 Ų | 138.5 | 123 Ų | 123 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | 152.6 | 128.2 | 90.1 | -73.3 | -52.3 | 0 | 0 | 0 | 117.3 | |||||
| 555 | I | 36 | Very low | 33.7 | Very low | 141 Ų | 141 | 122.9 Ų | 122.9 | 72% | 0.723 | 71% | 0.714 | S | S | * | * | 51.3 | 138.2 | 67.7 | -73.5 | 167.9 | 0 | 0 | 0 | 116.2 | V557 | I555-V557 HydrophobicContact CG2-CG2 4.3Š| |||
| 556 | P | 36.3 | Very low | 34 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 72% | 0.721 | 72% | 0.718 | S | S | * | * | cis | -139.1 | 162.1 | 16.5 | 26.4 | -2.3 | 0 | 0 | 0 | 119.7 | ||||
| 557 | V | 33.2 | Very low | 34.5 | Very low | 122 Ų | 122 | 125 Ų | 125 | 74% | 0.739 | 71% | 0.707 | S | S | * | * | 66.5 | 148.9 | 125.4 | -116 | 0 | 0 | 0 | 0 | 117.4 | I555 | I555-V557 HydrophobicContact CG2-CG2 4.3Š| |||
| 558 | T | 34.5 | Very low | 34.4 | Very low | 114.5 Ų | 114.5 | 125.7 Ų | 125.7 | 70% | 0.702 | 71% | 0.708 | S | S | * | * | -169.1 | 122.9 | 50.1 | -39 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 559 | F | 33 | Very low | 34.7 | Very low | 178.5 Ų | 178.5 | 128 Ų | 128 | 78% | 0.783 | 71% | 0.713 | S | S | * | * | trans | 57.3 | 172.1 | 147.2 | -77.9 | -107.2 | 0 | 0 | 0 | 124.5 | G598 | F559-G598 WeakPolarHBondContact CB-O 3.41Š| ||
| 560 | A | 37.1 | Very low | 34.8 | Very low | 64 Ų | 64 | 127.6 Ų | 127.6 | 53% | 0.529 | 71% | 0.714 | S | S | . | * | -157.5 | 172.2 | -82.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | G598 F599 | A560-G598 CarbonylContact O-C 3.43Å; A560-G598 VanDerWaalsContact O-CA 3.29Å; A560-G598 WeakPolarHBondContact O-CA 3.5Å; A560-G598 PolarHBondContact O-N 2.95Å; A560-F599 PolarHBondContact O-N 2.91Å | |||
| 561 | N | 35.9 | Very low | 35.3 | Very low | 108.5 Ų | 108.5 | 124.7 Ų | 124.7 | 58% | 0.58 | 72% | 0.715 | S | S | * | * | trans | 122.9 | 152.2 | 157 | -86.6 | 15.5 | 0 | 0 | 0 | 117.4 | G598 F599 | N561-G598 VanDerWaalsContact OD1-C 3.27Å; N561-G598 WeakPolarHBondContact OD1-CA 3.5Å; N561-G598 PolarHBondContact OD1-N 3.49Å; N561-F599 HydrophobicContact CB-CB 4.41Å; N561-F599 HydrophobicContact CB-CD1 3.91Å; N561-F599 HydrophobicContact CB-CD2 3.62Å; N561-F599 HydrophobicContact CB-CE1 3.99Å; N561-F599 HydrophobicContact CB-CE2 3.67Å; N561-F599 HydrophobicContact CB-CG 3.69Å; N561-F599 HydrophobicContact CB-CZ 3.85Å; N561-F599 VanDerWaalsContact CG-CG 3.49Å; N561-F599 WeakPolarHBondContact ND2-CD2 3.32Å; N561-F599 WeakPolarHBondContact ND2-CE2 3.44Å; N561-F599 PolarHBondContact OD1-N 3.38Å | ||
| 562 | S | 34.9 | Very low | 35.6 | Very low | 89 Ų | 89 | 123.6 Ų | 123.6 | 62% | 0.622 | 72% | 0.717 | S | S | * | * | cis | -166.2 | 160.6 | -16.4 | 43.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 563 | V | 38.2 | Very low | 35.8 | Very low | 122 Ų | 122 | 124.4 Ų | 124.4 | 74% | 0.739 | 72% | 0.719 | S | S | * | * | 133.4 | 121 | 77.3 | 176.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 564 | S | 33.7 | Very low | 35.9 | Very low | 104.5 Ų | 104.5 | 123.8 Ų | 123.8 | 73% | 0.731 | 72% | 0.721 | S | S | * | * | 77.5 | 154.4 | 81 | -115.9 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 565 | P | 40 | Very low | 35.7 | Very low | 116.5 Ų | 116.5 | 121.5 Ų | 121.5 | 76% | 0.756 | 72% | 0.715 | S | S | * | * | -141.2 | -162.9 | -62.7 | 44.4 | -23.7 | 0 | 0 | 0 | 116.3 | |||||
| 566 | R | 36.5 | Very low | 35.6 | Very low | 229 Ų | 229 | 121.9 Ų | 121.9 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | trans | -62.8 | -152.5 | -141.1 | -127.3 | -166 | 170.5 | -151.3 | -1.6 | 118.1 | ||||
| 567 | P | 41.7 | Very low | 35.3 | Very low | 96 Ų | 96 | 122.9 Ų | 122.9 | 62% | 0.623 | 72% | 0.716 | S | S | * | * | -137.8 | -168 | -98.6 | 41.6 | -20.6 | 0 | 0 | 0 | 116.6 | |||||
| 568 | V | 31.6 | Very low | 35.3 | Very low | 129.5 Ų | 129.5 | 123.6 Ų | 123.6 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | trans | 149.2 | -168.9 | 158.4 | 163.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 569 | L | 34.6 | Very low | 35 | Very low | 148.5 Ų | 148.5 | 122.8 Ų | 122.8 | 78% | 0.777 | 71% | 0.714 | S | S | * | * | trans | 151.6 | 153.3 | -172.3 | -58.5 | 172.9 | 0 | 0 | 0 | 114.8 | ||||
| 570 | S | 32.2 | Very low | 34.9 | Very low | 101 Ų | 101 | 119.6 Ų | 119.6 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | cis | 147.3 | 157.7 | 0.5 | -75.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 571 | P | 41.8 | Very low | 34.7 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 84% | 0.838 | 73% | 0.725 | S | S | * | * | -118.5 | 169.4 | -95.9 | 38.3 | -27.9 | 0 | 0 | 0 | 116.5 | |||||
| 572 | G | 38.2 | Very low | 34.5 | Very low | 62 Ų | 62 | 122.5 Ų | 122.5 | 64% | 0.639 | 73% | 0.733 | S | S | * | * | trans | 166 | 123.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 573 | I | 34 | Very low | 34.5 | Very low | 156.5 Ų | 156.5 | 123.5 Ų | 123.5 | 80% | 0.803 | 74% | 0.737 | S | S | * | * | 68.2 | 112.4 | 65 | -62 | 168.9 | 0 | 0 | 0 | 109.3 | |||||
| 574 | D | 35.8 | Very low | 34.1 | Very low | 138 Ų | 138 | 125.2 Ų | 125.2 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | cis | -168.5 | 175.6 | 24.5 | -119.7 | 5.6 | 0 | 0 | 0 | 109.4 | ||||
| 575 | C | 31.4 | Very low | 34 | Very low | 91.5 Ų | 91.5 | 123.8 Ų | 123.8 | 62% | 0.618 | 74% | 0.743 | S | S | * | * | cis | -163.8 | -177.5 | -9.9 | -149.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 576 | I | 34.2 | Very low | 33.5 | Very low | 148.5 Ų | 148.5 | 125 Ų | 125 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | trans | 69.5 | 124.5 | 152 | -72.8 | 159.1 | 0 | 0 | 0 | 118.6 | ||||
| 577 | N | 29.6 | Very low | 33.2 | Very low | 131.5 Ų | 131.5 | 120.4 Ų | 120.4 | 70% | 0.703 | 74% | 0.74 | S | S | * | * | cis | 133.9 | 155.9 | 27.5 | -140.8 | -1 | 0 | 0 | 0 | 112.2 | ||||
| 578 | I | 32 | Very low | 32.8 | Very low | 137 Ų | 137 | 120.9 Ų | 120.9 | 70% | 0.703 | 74% | 0.741 | S | S | * | * | 126.8 | 144.9 | 86.5 | 8 | 171.9 | 0 | 0 | 0 | 116.3 | |||||
| 579 | S | 29.6 | Very low | 32.7 | Very low | 98.5 Ų | 98.5 | 126.1 Ų | 126.1 | 69% | 0.689 | 75% | 0.746 | S | S | * | * | 120.5 | 154.7 | 71.8 | 50.7 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 580 | S | 29 | Very low | 32.7 | Very low | 110.5 Ų | 110.5 | 126 Ų | 126 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | 126.8 | 164.8 | -117.7 | 68.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 581 | V | 34.6 | Very low | 32.6 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 78% | 0.782 | 75% | 0.748 | S | S | * | * | cis | -131.2 | 141.6 | 3.9 | -159.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 582 | S | 31 | Very low | 32.1 | Very low | 105.5 Ų | 105.5 | 125.1 Ų | 125.1 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | -18.1 | 146.9 | 127.2 | -74.3 | 0 | 0 | 0 | 0 | 115 | |||||
| 583 | P | 33.9 | Very low | 31.8 | Very low | 109.5 Ų | 109.5 | 127.3 Ų | 127.3 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | -113.7 | 170.3 | -108.5 | 35.9 | -24.8 | 0 | 0 | 0 | 113.3 | |||||
| 584 | L | 30.1 | Very low | 31.6 | Very low | 158 Ų | 158 | 125 Ų | 125 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | trans | 126.5 | 107.8 | 147.1 | -104.3 | 142.7 | 0 | 0 | 0 | 117 | L586 | L584-L586 HydrophobicContact CD2-CB 4.1Å; L584-L586 HydrophobicContact CD2-CD1 3.77Å; L584-L586 HydrophobicContact CD2-CG 4.45Å; L584-L586 HydrophobicContact CG-CD1 4.04Å | ||
| 585 | G | 31.6 | Very low | 31.4 | Very low | 73.5 Ų | 73.5 | 127.8 Ų | 127.8 | 76% | 0.758 | 75% | 0.752 | S | S | * | * | 7.2 | 110.4 | 125.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 586 | L | 30.9 | Very low | 31.3 | Very low | 143 Ų | 143 | 128.6 Ų | 128.6 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | trans | -116 | 100.2 | 163 | -100.5 | 168.7 | 0 | 0 | 0 | 111.4 | L584 V588 | L584-L586 HydrophobicContact CD2-CB 4.1Å; L584-L586 HydrophobicContact CD2-CD1 3.77Å; L584-L586 HydrophobicContact CD2-CG 4.45Å; L584-L586 HydrophobicContact CG-CD1 4.04Å; L586-V588 HydrophobicContact CD2-CG2 3.48Å; L586-V588 VanDerWaalsContact CD2-CG2 3.48Å; L586-V588 PolarHBondContact O-N 3.45Å | ||
| 587 | T | 30.4 | Very low | 31.2 | Very low | 132.5 Ų | 132.5 | 126.9 Ų | 126.9 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | -14.2 | 109.3 | 153 | 54.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 588 | V | 31.8 | Very low | 31.2 | Very low | 106.5 Ų | 106.5 | 122.9 Ų | 122.9 | 65% | 0.645 | 74% | 0.735 | S | S | * | * | -145.4 | 110.6 | 110.9 | 176.6 | 0 | 0 | 0 | 0 | 112.5 | L586 | L586-V588 HydrophobicContact CD2-CG2 3.48Å; L586-V588 VanDerWaalsContact CD2-CG2 3.48Å; L586-V588 PolarHBondContact O-N 3.45Å | |||
| 589 | R | 30.4 | Very low | 31.2 | Very low | 238 Ų | 238 | 124.8 Ų | 124.8 | 90% | 0.898 | 74% | 0.739 | S | S | * | * | trans | 137.3 | 100 | 142.2 | -68.2 | -174.2 | -172.9 | 176.1 | 3.9 | 116.5 | ||||
| 590 | N | 33.6 | Very low | 31.3 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | trans | 148.4 | 156.5 | 152.7 | -87.6 | -2.5 | 0 | 0 | 0 | 113.5 | ||||
| 591 | S | 30.7 | Very low | 31.4 | Very low | 106.5 Ų | 106.5 | 123.5 Ų | 123.5 | 75% | 0.745 | 74% | 0.74 | S | S | * | * | 143 | 112.6 | -100.3 | -81.9 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 592 | S | 30.8 | Very low | 31.3 | Very low | 106 Ų | 106 | 124.9 Ų | 124.9 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | trans | 107.1 | 125.5 | 143.3 | 60.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 593 | S | 32.8 | Very low | 31.4 | Very low | 107.5 Ų | 107.5 | 126.6 Ų | 126.6 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | 137.3 | 135.8 | 57 | 61.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 594 | S | 30.1 | Very low | 31.6 | Very low | 108.5 Ų | 108.5 | 126.6 Ų | 126.6 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | cis | 122 | 117.3 | 29.3 | -80.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 595 | K | 30.7 | Very low | 31.8 | Very low | 196 Ų | 196 | 124.1 Ų | 124.1 | 85% | 0.852 | 74% | 0.735 | S | S | * | * | trans | 69.7 | 144.2 | 146.1 | -75 | 177.4 | 179 | 177.6 | 0 | 120.1 | ||||
| 596 | T | 30 | Very low | 31.7 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | trans | 106.3 | 98.7 | 132.3 | -53.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 597 | I | 31.4 | Very low | 31.8 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 57% | 0.574 | 73% | 0.729 | S | S | * | * | trans | 75.5 | 135.2 | 135.7 | -66.6 | 169.3 | 0 | 0 | 0 | 120.1 | ||||
| 598 | G | 30.3 | Very low | 31.9 | Very low | 47 Ų | 47 | 125.8 Ų | 125.8 | 49% | 0.485 | 72% | 0.72 | S | S | . | * | trans | 157.7 | 94.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | F559 A560 N561 | F559-G598 WeakPolarHBondContact CB-O 3.41Å; A560-G598 CarbonylContact O-C 3.43Å; A560-G598 VanDerWaalsContact O-CA 3.29Å; A560-G598 WeakPolarHBondContact O-CA 3.5Å; A560-G598 PolarHBondContact O-N 2.95Å; N561-G598 VanDerWaalsContact OD1-C 3.27Å; N561-G598 WeakPolarHBondContact OD1-CA 3.5Å; N561-G598 PolarHBondContact OD1-N 3.49Å | ||
| 599 | F | 31.3 | Very low | 32.2 | Very low | 178 Ų | 178 | 130.2 Ų | 130.2 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | trans | -49.6 | 141 | 177.8 | -86.4 | -60.1 | 0 | 0 | 0 | 117.9 | A560 N561 | A560-F599 PolarHBondContact O-N 2.91Å; N561-F599 HydrophobicContact CB-CB 4.41Å; N561-F599 HydrophobicContact CB-CD1 3.91Å; N561-F599 HydrophobicContact CB-CD2 3.62Å; N561-F599 HydrophobicContact CB-CE1 3.99Å; N561-F599 HydrophobicContact CB-CE2 3.67Å; N561-F599 HydrophobicContact CB-CG 3.69Å; N561-F599 HydrophobicContact CB-CZ 3.85Å; N561-F599 VanDerWaalsContact CG-CG 3.49Å; N561-F599 WeakPolarHBondContact ND2-CD2 3.32Å; N561-F599 WeakPolarHBondContact ND2-CE2 3.44Å; N561-F599 PolarHBondContact OD1-N 3.38Å | ||
| 600 | S | 31.3 | Very low | 32.6 | Very low | 118.5 Ų | 118.5 | 124.7 Ų | 124.7 | 83% | 0.829 | 73% | 0.725 | S | S | * | * | 78.1 | 135.4 | 107.7 | -171 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 601 | G | 30.8 | Very low | 32.5 | Very low | 62.6667 Ų | 62.6667 | 127 Ų | 127 | 65% | 0.646 | 73% | 0.729 | S | S | * | * | trans | 143 | 79.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 602 | N | 32.4 | Very low | 32.7 | Very low | 159.333 Ų | 159.333 | 132.7 Ų | 132.7 | 85% | 0.852 | 73% | 0.734 | S | S | * | * | trans | 54.7 | 126.7 | 144.5 | -54.1 | -11.4 | 0 | 0 | 0 | 122.4 | ||||
| 603 | D | 33.9 | Very low | 32.8 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | trans | -37.4 | 166.8 | 145.1 | -79.1 | -53.6 | 0 | 0 | 0 | 116.2 | ||||
| 604 | P | 39 | Very low | 32.9 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 71% | 0.714 | 74% | 0.74 | S | S | * | * | cis | -135.9 | 147.4 | 35.6 | 32.5 | -13.8 | 0 | 0 | 0 | 116.9 | ||||
| 605 | T | 32.4 | Very low | 33 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 64% | 0.638 | 75% | 0.75 | S | S | * | * | trans | 31.2 | 143.7 | 136.7 | 65.7 | 0 | 0 | 0 | 0 | 122 | A427 | A427-T605 HydrophobicContact CB-CG2 3.42Å; A427-T605 VanDerWaalsContact CB-CG2 3.42Å | ||
| 606 | T | 30.9 | Very low | 33 | Very low | 101 Ų | 101 | 135.1 Ų | 135.1 | 62% | 0.62 | 75% | 0.747 | S | S | * | * | 158.4 | 148.1 | 89.3 | -39.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 607 | Y | 31.9 | Very low | 33.3 | Very low | 195 Ų | 195 | 140.9 Ų | 140.9 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | 156.4 | 136 | 128.4 | -72.8 | -99.9 | 0 | 0 | 0 | 117.2 | T425 S426 | T425-Y607 HydrophobicContact CG2-CD1 3.95Å; T425-Y607 HydrophobicContact CG2-CG 4.35Å; T425-Y607 WeakPolarHBondContact OG1-CD1 3.15Å; T425-Y607 WeakPolarHBondContact OG1-CE1 3.38Å; S426-Y607 PolarHBondContact OG-N 3.45Å | |||
| 608 | S | 34.1 | Very low | 33.3 | Very low | 88.6667 Ų | 88.6667 | 144.3 Ų | 144.3 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | 155.1 | 145.9 | 64.5 | 46 | 0 | 0 | 0 | 0 | 118.5 | S424 T425 | S424-S608 WeakPolarHBondContact OG-CB 3.27Å; S424-S608 PolarHBondContact OG-OG 2.87Å; S424-S608 VanDerWaalsContact OG-OG 3.09Å; T425-S608 VanDerWaalsContact CG2-CA 3.44Å; T425-S608 WeakPolarHBondContact CG2-OG 3.47Å | |||
| 609 | K | 36.8 | Very low | 33.6 | Very low | 200.333 Ų | 200.333 | 147.6 Ų | 147.6 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | trans | -19.1 | 163.2 | 149.7 | -63.9 | 176.7 | -179.6 | 174.5 | 0 | 117.6 | ||||
| 610 | P | 38.4 | Very low | 33.8 | Very low | 121 Ų | 121 | 145 Ų | 145 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | cis | -134.2 | -176.7 | -18.7 | 30.9 | -11.5 | 0 | 0 | 0 | 113.9 | ||||
| 611 | K | 33 | Very low | 33.9 | Very low | 195.333 Ų | 195.333 | 142.8 Ų | 142.8 | 85% | 0.849 | 78% | 0.783 | S | S | * | * | trans | -161.7 | 142.3 | 177.1 | -175.6 | 177.6 | -178 | 178.2 | 0 | 113.8 | ||||
| 612 | R | 34.9 | Very low | 34.3 | Very low | 225 Ų | 225 | 149.4 Ų | 149.4 | 85% | 0.849 | 79% | 0.794 | S | S | * | * | trans | -150.3 | 151.3 | 163.3 | -104.6 | 177.5 | 169.6 | 174.8 | -3.1 | 117 | ||||
| 613 | N | 32.6 | Very low | 34.6 | Very low | 157.667 Ų | 157.667 | 150.6 Ų | 150.6 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -175.8 | 142.1 | 156 | -63.9 | -21.5 | 0 | 0 | 0 | 113.9 | ||||
| 614 | G | 34.4 | Very low | 34.8 | Very low | 76 Ų | 76 | 155.1 Ų | 155.1 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | -179 | 122.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 615 | R | 31.5 | Very low | 34.7 | Very low | 259.667 Ų | 259.667 | 153.7 Ų | 153.7 | 98% | 0.98 | 81% | 0.806 | S | S | * | * | trans | -40.1 | 142.3 | 171.6 | -64 | 176.1 | 171.3 | -171.8 | -3.2 | 114.5 | ||||
| 616 | G | 32.2 | Very low | 34.7 | Very low | 76 Ų | 76 | 152.6 Ų | 152.6 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | trans | -164.5 | 126.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 617 | R | 35 | Very low | 35 | Very low | 230.333 Ų | 230.333 | 151.2 Ų | 151.2 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | trans | -106.5 | 128.2 | 140.9 | -78.5 | -170.2 | 177.1 | -144.4 | 0.2 | 116 | ||||
| 618 | F | 31 | Very low | 35.4 | Very low | 183 Ų | 183 | 154.1 Ų | 154.1 | 80% | 0.803 | 83% | 0.831 | S | S | * | * | trans | 15.9 | 129.8 | 153.6 | -52.6 | -77.1 | 0 | 0 | 0 | 120.5 | ||||
| 619 | S | 37.6 | Very low | 36 | Very low | 117.667 Ų | 117.667 | 161.1 Ų | 161.1 | 82% | 0.823 | 84% | 0.844 | S | S | * | * | -174 | 152.7 | 104.3 | -85.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 620 | S | 34.9 | Very low | 36.4 | Very low | 122.667 Ų | 122.667 | 163 Ų | 163 | 86% | 0.858 | 85% | 0.845 | S | S | * | * | trans | -46.8 | 135.1 | 173.4 | 52.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 621 | G | 34.5 | Very low | 37 | Very low | 72 Ų | 72 | 163.3 Ų | 163.3 | 74% | 0.742 | 83% | 0.831 | S | S | * | * | trans | -163.6 | 151.4 | 150.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 622 | K | 37.9 | Very low | 38.4 | Very low | 202.667 Ų | 202.667 | 158 Ų | 158 | 88% | 0.881 | 82% | 0.815 | S | S | * | * | trans | -86.2 | 145 | -175.3 | -65.2 | 178.8 | 177.8 | 177.2 | 0 | 113.4 | ||||
| 623 | H | 39 | Very low | 39.2 | Very low | 182.667 Ų | 182.667 | 155 Ų | 155 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -96 | 138.6 | -169.8 | -87.2 | -74 | 0 | 0 | 0 | 112.7 | ||||
| 624 | R | 39 | Very low | 39.9 | Very low | 236.667 Ų | 236.667 | 153.3 Ų | 153.3 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | -99.6 | 144.8 | 163.8 | -85.3 | -176.6 | 165.7 | -167 | -4.2 | 110.5 | H1132 | R624-H1132 PolarHBondContact NH2-O 3.48Š| ||
| 625 | G | 35.6 | Very low | 41 | Very low | 80 Ų | 80 | 154.5 Ų | 154.5 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | 114.9 | 93.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G627 | G625-G627 PolarHBondContact O-N 3.38Å; G625-G627 VanDerWaalsContact O-N 3.08Å | ||
| 626 | G | 33.1 | Very low | 42 | Very low | 81.6667 Ų | 81.6667 | 146.7 Ų | 146.7 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | trans | -100 | 129.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 627 | G | 36.5 | Very low | 42.8 | Very low | 71.3333 Ų | 71.3333 | 147.3 Ų | 147.3 | 74% | 0.735 | 75% | 0.745 | S | S | * | * | trans | -67.2 | 141.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G625 R629 | G625-G627 PolarHBondContact O-N 3.38Å; G625-G627 VanDerWaalsContact O-N 3.08Å; G627-R629 VanDerWaalsContact C-N 3.3Å; G627-R629 PolarHBondContact O-N 3.15Å; G627-R629 VanDerWaalsContact O-N 3.08Å | ||
| 628 | R | 40.8 | Very low | 43.6 | Very low | 255 Ų | 255 | 144.8 Ų | 144.8 | 96% | 0.962 | 74% | 0.741 | S | S | * | * | trans | -64.3 | 94.6 | 174.3 | -74.4 | -178.1 | 173.8 | -178.8 | -2.1 | 110.7 | R630 | R628-R630 PolarHBondContact O-N 3.29Š| ||
| 629 | R | 46 | Very low | 44.6 | Very low | 236.333 Ų | 236.333 | 143.9 Ų | 143.9 | 89% | 0.892 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 135.4 | 160.7 | -74.5 | -174 | 172 | -168.4 | -2.8 | 108.5 | G627 R631 | G627-R629 VanDerWaalsContact C-N 3.3Å; G627-R629 PolarHBondContact O-N 3.15Å; G627-R629 VanDerWaalsContact O-N 3.08Å; R629-R631 PolarHBondContact O-N 3.03Å |
| 630 | R | 46.6 | Very low | 44.7 | Very low | 239.333 Ų | 239.333 | 147.9 Ų | 147.9 | 90% | 0.903 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 133.6 | 164.3 | -68.2 | 178.8 | 175.5 | 150 | -2.3 | 107.4 | R628 | R628-R630 PolarHBondContact O-N 3.29Š|
| 631 | R | 50.2 | Low | 45 | Very low | 127.667 Ų | 127.667 | 147 Ų | 147 | 48% | 0.482 | 72% | 0.723 | S | S | . | * | P | Polyproline II helix | trans | -68.5 | 149.3 | 171.9 | -75.6 | -169.5 | 176.6 | 114.2 | 8 | 109.5 | R629 E635 E636 | R629-R631 PolarHBondContact O-N 3.03Å; R631-E635 HydrophobicContact CB-CB 4.28Å; R631-E635 HydrophobicContact CG-CB 4.42Å; R631-E635 WeakPolarHBondContact CG-OE2 3.38Å; R631-E635 IonicContact NE-OE2 3.26Å; R631-E636 HydrophobicContact CB-CG 3.94Å; R631-E636 WeakPolarHBondContact CD-OE1 3.36Å; R631-E636 HydrophobicContact CG-CG 4.46Å; R631-E636 IonicContact CZ-OE1 3.53Å; R631-E636 IonicContact NE-OE1 2.69Å; R631-E636 IonicContact NH1-OE1 2.96Å; R631-E636 PolarHBondContact NH1-OE1 2.87Å |
| 632 | T | 62.6 | Low | 45.1 | Very low | 85 Ų | 85 | 148.4 Ų | 148.4 | 52% | 0.521 | 72% | 0.717 | S | S | . | * | P | Polyproline II helix | trans | -84.6 | 150.8 | 164.9 | 57.1 | 0 | 0 | 0 | 0 | 108.9 | L634 E635 E636 | T632-L634 PolarHBondContact O-N 3.12Å; T632-L634 VanDerWaalsContact O-N 3.08Å; T632-E635 PolarHBondContact N-OE2 3.48Å; T632-E635 WeakPolarHBondContact O-CB 3.47Å; T632-E635 PolarHBondContact O-N 3.36Å; T632-E636 PolarHBondContact O-N 3.02Å; T632-E636 VanDerWaalsContact O-N 3.11Å |
| 633 | E | 51.3 | Low | 45 | Very low | 162.667 Ų | 162.667 | 145.4 Ų | 145.4 | 76% | 0.76 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -52.6 | -31.9 | 178.2 | -59.8 | 173.5 | 157.5 | 0 | 0 | 111.9 | E635 E636 L637 | E633-E635 VanDerWaalsContact C-N 3.34Å; E633-E635 PolarHBondContact O-N 3.09Å; E633-E636 PolarHBondContact O-N 3.39Å; E633-L637 WeakPolarHBondContact O-CB 3.35Å; E633-L637 VanDerWaalsContact O-CG 3.32Å; E633-L637 WeakPolarHBondContact O-CG 3.36Å; E633-L637 PolarHBondContact O-N 3.15Å |
| 634 | L | 48.7 | Very low | 44.6 | Very low | 121.333 Ų | 121.333 | 143.9 Ų | 143.9 | 64% | 0.635 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -63.4 | -35.9 | 175.7 | -155.5 | 79.8 | 0 | 0 | 0 | 113.6 | T632 K638 | T632-L634 PolarHBondContact O-N 3.12Å; T632-L634 VanDerWaalsContact O-N 3.08Å; L634-K638 WeakPolarHBondContact O-CB 3.38Å; L634-K638 PolarHBondContact O-N 3.09Å; L634-K638 VanDerWaalsContact O-N 3.14Å |
| 635 | E | 56.2 | Low | 44.4 | Very low | 101 Ų | 101 | 141 Ų | 141 | 47% | 0.472 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -76.4 | -29.1 | 174.8 | -74.8 | -168 | 119.8 | 0 | 0 | 112.6 | R631 T632 E633 K638 R639 | R631-E635 HydrophobicContact CB-CB 4.28Å; R631-E635 HydrophobicContact CG-CB 4.42Å; R631-E635 WeakPolarHBondContact CG-OE2 3.38Å; R631-E635 IonicContact NE-OE2 3.26Å; T632-E635 PolarHBondContact N-OE2 3.48Å; T632-E635 WeakPolarHBondContact O-CB 3.47Å; T632-E635 PolarHBondContact O-N 3.36Å; E633-E635 VanDerWaalsContact C-N 3.34Å; E633-E635 PolarHBondContact O-N 3.09Å; E635-K638 PolarHBondContact O-N 3.22Å; E635-R639 WeakPolarHBondContact O-CD 3.13Å; E635-R639 WeakPolarHBondContact O-CG 3.43Å; E635-R639 PolarHBondContact O-N 3.17Å |
| 636 | E | 53 | Low | 44.2 | Very low | 94.6667 Ų | 94.6667 | 141.6 Ų | 141.6 | 44% | 0.442 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -74.5 | -46.9 | 175.7 | -58.7 | -159 | 148.4 | 0 | 0 | 110 | R631 T632 E633 K638 R639 W640 | R631-E636 HydrophobicContact CB-CG 3.94Å; R631-E636 WeakPolarHBondContact CD-OE1 3.36Å; R631-E636 HydrophobicContact CG-CG 4.46Å; R631-E636 IonicContact CZ-OE1 3.53Å; R631-E636 IonicContact NE-OE1 2.69Å; R631-E636 IonicContact NH1-OE1 2.96Å; R631-E636 PolarHBondContact NH1-OE1 2.87Å; T632-E636 PolarHBondContact O-N 3.02Å; T632-E636 VanDerWaalsContact O-N 3.11Å; E633-E636 PolarHBondContact O-N 3.39Å; E636-K638 VanDerWaalsContact C-N 3.25Å; E636-K638 PolarHBondContact O-N 3.32Å; E636-K638 VanDerWaalsContact O-N 3.13Å; E636-R639 CarbonylContact O-C 3.45Å; E636-R639 WeakPolarHBondContact O-CA 3.31Å; E636-R639 WeakPolarHBondContact O-CB 3.42Å; E636-R639 PolarHBondContact O-N 3.11Å; E636-W640 PolarHBondContact O-N 3.02Å |
| 637 | L | 49.9 | Very low | 44.2 | Very low | 89 Ų | 89 | 145 Ų | 145 | 47% | 0.466 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -55.7 | -31.6 | 171.1 | -74.8 | 166.3 | 0 | 0 | 0 | 113.1 | E633 R639 W640 S641 F708 | E633-L637 WeakPolarHBondContact O-CB 3.35Å; E633-L637 VanDerWaalsContact O-CG 3.32Å; E633-L637 WeakPolarHBondContact O-CG 3.36Å; E633-L637 PolarHBondContact O-N 3.15Å; L637-R639 VanDerWaalsContact C-N 3.31Å; L637-R639 PolarHBondContact O-N 3.04Å; L637-W640 PolarHBondContact O-N 2.71Å; L637-S641 WeakPolarHBondContact O-CB 3.34Å; L637-S641 PolarHBondContact O-N 3.18Å; L637-S641 VanDerWaalsContact O-N 3.12Å; L637-F708 HydrophobicContact CD1-CD2 4.1Å; L637-F708 HydrophobicContact CD1-CE2 3.89Å; L637-F708 HydrophobicContact CD2-CE2 3.88Å |
| 638 | K | 51.3 | Low | 44 | Very low | 178.333 Ų | 178.333 | 147.4 Ų | 147.4 | 78% | 0.775 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -9.1 | 174 | -128.6 | -179.4 | -178.5 | -175.7 | 0 | 114.4 | L634 E635 E636 V642 | L634-K638 WeakPolarHBondContact O-CB 3.38Å; L634-K638 PolarHBondContact O-N 3.09Å; L634-K638 VanDerWaalsContact O-N 3.14Å; E635-K638 PolarHBondContact O-N 3.22Å; E636-K638 VanDerWaalsContact C-N 3.25Å; E636-K638 PolarHBondContact O-N 3.32Å; E636-K638 VanDerWaalsContact O-N 3.13Å; K638-V642 WeakPolarHBondContact O-CG2 3.32Å |
| 639 | R | 52.2 | Low | 43.6 | Very low | 164.667 Ų | 164.667 | 138.5 Ų | 138.5 | 62% | 0.621 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -18.7 | 173.9 | -72.9 | 176 | 175.1 | -102.7 | -7.7 | 113.4 | E635 E636 L637 S641 V642 | E635-R639 WeakPolarHBondContact O-CD 3.13Å; E635-R639 WeakPolarHBondContact O-CG 3.43Å; E635-R639 PolarHBondContact O-N 3.17Å; E636-R639 CarbonylContact O-C 3.45Å; E636-R639 WeakPolarHBondContact O-CA 3.31Å; E636-R639 WeakPolarHBondContact O-CB 3.42Å; E636-R639 PolarHBondContact O-N 3.11Å; L637-R639 VanDerWaalsContact C-N 3.31Å; L637-R639 PolarHBondContact O-N 3.04Å; R639-S641 PolarHBondContact O-N 3.12Å; R639-V642 PolarHBondContact O-N 3.31Å |
| 640 | W | 39.9 | Very low | 43.1 | Very low | 201 Ų | 201 | 135.2 Ų | 135.2 | 76% | 0.761 | 69% | 0.69 | S | S | * | * | trans | -71.6 | 42.7 | 171.9 | -73.3 | 95.9 | 0 | 0 | 0 | 111.9 | E636 L637 V642 | E636-W640 PolarHBondContact O-N 3.02Å; L637-W640 PolarHBondContact O-N 2.71Å; W640-V642 VanDerWaalsContact C-N 3.28Å; W640-V642 HydrophobicContact CE3-CG2 4.26Å; W640-V642 PolarHBondContact O-N 3Å | ||
| 641 | S | 39.4 | Very low | 42.5 | Very low | 104.333 Ų | 104.333 | 132.6 Ų | 132.6 | 73% | 0.73 | 69% | 0.688 | S | S | * | * | trans | -86.2 | 62.9 | 165.1 | 152.8 | 0 | 0 | 0 | 0 | 110.5 | L637 R639 | L637-S641 WeakPolarHBondContact O-CB 3.34Å; L637-S641 PolarHBondContact O-N 3.18Å; L637-S641 VanDerWaalsContact O-N 3.12Å; R639-S641 PolarHBondContact O-N 3.12Å | ||
| 642 | V | 38.3 | Very low | 41.7 | Very low | 101.667 Ų | 101.667 | 134.6 Ų | 134.6 | 62% | 0.616 | 70% | 0.703 | S | S | * | * | trans | -111 | 111.3 | -179.8 | -171.9 | 0 | 0 | 0 | 0 | 109.7 | K638 R639 W640 D644 | K638-V642 WeakPolarHBondContact O-CG2 3.32Å; R639-V642 PolarHBondContact O-N 3.31Å; W640-V642 VanDerWaalsContact C-N 3.28Å; W640-V642 HydrophobicContact CE3-CG2 4.26Å; W640-V642 PolarHBondContact O-N 3Å; V642-D644 VanDerWaalsContact C-N 3.33Å; V642-D644 PolarHBondContact O-N 3.31Å | ||
| 643 | L | 35.1 | Very low | 40.3 | Very low | 140 Ų | 140 | 140 Ų | 140 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | trans | -93.7 | 82.4 | -174.4 | -104.7 | 64 | 0 | 0 | 0 | 112.8 | H645 | L643-H645 HydrophobicContact CB-CB 4.35Å; L643-H645 PolarHBondContact O-N 2.99Å | ||
| 644 | D | 31.5 | Very low | 39.3 | Very low | 150.333 Ų | 150.333 | 138.9 Ų | 138.9 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | trans | -96.6 | 52.3 | 168.3 | -85 | -38 | 0 | 0 | 0 | 111.3 | V642 A646 | V642-D644 VanDerWaalsContact C-N 3.33Å; V642-D644 PolarHBondContact O-N 3.31Å; D644-A646 PolarHBondContact O-N 3.23Å | ||
| 645 | H | 33 | Very low | 38.6 | Very low | 174.667 Ų | 174.667 | 139.6 Ų | 139.6 | 81% | 0.809 | 73% | 0.728 | S | S | * | * | trans | -115.1 | 89.4 | 174 | -69.7 | -37.9 | 0 | 0 | 0 | 111.1 | L643 N647 | L643-H645 HydrophobicContact CB-CB 4.35Å; L643-H645 PolarHBondContact O-N 2.99Å; H645-N647 PolarHBondContact O-N 3.48Å | ||
| 646 | A | 33.2 | Very low | 37.5 | Very low | 94 Ų | 94 | 141.6 Ų | 141.6 | 78% | 0.777 | 74% | 0.742 | S | S | * | * | trans | -131.8 | 92.9 | -165 | 0 | 0 | 0 | 0 | 0 | 110.4 | D644 P648 | D644-A646 PolarHBondContact O-N 3.23Å; A646-P648 WeakPolarHBondContact O-CD 3.39Å | ||
| 647 | N | 31.6 | Very low | 36.5 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | -141 | 106.8 | 170.4 | -143 | 19.9 | 0 | 0 | 0 | 114.5 | H645 G649 | H645-N647 PolarHBondContact O-N 3.48Å; N647-G649 PolarHBondContact O-N 3.46Å | ||
| 648 | P | 33.6 | Very low | 35.6 | Very low | 122.333 Ų | 122.333 | 145.3 Ų | 145.3 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -81.8 | 120.1 | 171.6 | 32.8 | -31.9 | 0 | 0 | 0 | 111.2 | A646 | A646-P648 WeakPolarHBondContact O-CD 3.39Š| ||
| 649 | G | 32.7 | Very low | 34.6 | Very low | 68 Ų | 68 | 143.5 Ų | 143.5 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | -77.6 | 130 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | N647 | N647-G649 PolarHBondContact O-N 3.46Š| ||
| 650 | L | 35.3 | Very low | 33.7 | Very low | 166.333 Ų | 166.333 | 141.7 Ų | 141.7 | 87% | 0.871 | 77% | 0.773 | S | S | * | * | trans | -90.4 | 115.8 | 162.2 | -115.8 | 155 | 0 | 0 | 0 | 110.5 | ||||
| 651 | E | 32.9 | Very low | 33.1 | Very low | 186 Ų | 186 | 140.8 Ų | 140.8 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -94.3 | 131.8 | 167.5 | -86.3 | -130.6 | 128.4 | 0 | 0 | 109.9 | ||||
| 652 | Q | 33.3 | Very low | 32.9 | Very low | 170 Ų | 170 | 146 Ų | 146 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -128.8 | 111.1 | 175.3 | -167.2 | 150.4 | 13.8 | 0 | 0 | 109.5 | ||||
| 653 | K | 32.9 | Very low | 32.5 | Very low | 196.667 Ų | 196.667 | 145.9 Ų | 145.9 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -127.3 | 114.5 | 175.2 | -157.2 | 170.5 | -174.9 | 174.5 | 0 | 111 | ||||
| 654 | N | 30.9 | Very low | 32.5 | Very low | 141 Ų | 141 | 145 Ų | 145 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | -47.6 | 123.9 | 178.9 | -51.8 | -42.2 | 0 | 0 | 0 | 114.8 | ||||
| 655 | V | 34.6 | Very low | 32.7 | Very low | 136.333 Ų | 136.333 | 145.8 Ų | 145.8 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -146.6 | 119.2 | 134.8 | 178.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 656 | D | 32.8 | Very low | 32.5 | Very low | 142.333 Ų | 142.333 | 144.6 Ų | 144.6 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | trans | 29.9 | 139.1 | 141.1 | -85.5 | -22.2 | 0 | 0 | 0 | 118.1 | ||||
| 657 | L | 32.2 | Very low | 32.5 | Very low | 148.667 Ų | 148.667 | 145.9 Ų | 145.9 | 78% | 0.778 | 78% | 0.784 | S | S | * | * | 157.4 | 153.9 | 97.7 | -97.7 | 169 | 0 | 0 | 0 | 115.3 | |||||
| 658 | C | 31.2 | Very low | 32.4 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | 60.1 | 100.3 | 152.7 | -64.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 659 | E | 29.2 | Very low | 32.3 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 66% | 0.659 | 78% | 0.778 | S | S | * | * | 70.4 | 134.6 | 50.3 | -165.5 | -174.8 | -165.1 | 0 | 0 | 114.8 | R661 | E659-R661 HydrophobicContact CG-CG 4.25Å; E659-R661 IonicContact OE1-CZ 2.76Å; E659-R661 IonicContact OE1-NE 3.63Å; E659-R661 PolarHBondContact OE1-NE 3.15Å; E659-R661 IonicContact OE1-NH2 3.79Å; E659-R661 PolarHBondContact OE1-NH2 3.18Å | |||
| 660 | V | 33.5 | Very low | 32.2 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | trans | -162.9 | 114.6 | 145 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 661 | R | 28.6 | Very low | 32.2 | Very low | 182.333 Ų | 182.333 | 151.1 Ų | 151.1 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | trans | -77.2 | 147.9 | 158.6 | -53.2 | 179.6 | -165.9 | -174.3 | 3.7 | 114.1 | E659 | E659-R661 HydrophobicContact CG-CG 4.25Å; E659-R661 IonicContact OE1-CZ 2.76Å; E659-R661 IonicContact OE1-NE 3.63Å; E659-R661 PolarHBondContact OE1-NE 3.15Å; E659-R661 IonicContact OE1-NH2 3.79Å; E659-R661 PolarHBondContact OE1-NH2 3.18Å | ||
| 662 | Y | 33.4 | Very low | 32.1 | Very low | 215 Ų | 215 | 149.2 Ų | 149.2 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | -135.4 | 139.5 | 110.9 | -88.4 | -79.1 | 0 | 0 | 0 | 111.8 | |||||
| 663 | S | 29.9 | Very low | 32.4 | Very low | 99.6667 Ų | 99.6667 | 147 Ų | 147 | 70% | 0.697 | 78% | 0.775 | S | S | * | * | trans | -132.4 | 164.7 | 170.1 | -49.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 664 | P | 36.7 | Very low | 32.3 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | -113.8 | 155.1 | 159.6 | 22.9 | -9.2 | 0 | 0 | 0 | 111.8 | ||||
| 665 | L | 34.1 | Very low | 32.5 | Very low | 165.667 Ų | 165.667 | 140.5 Ų | 140.5 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | 152.5 | 130.2 | 112.8 | -146.5 | 80.7 | 0 | 0 | 0 | 112.7 | |||||
| 666 | N | 28.8 | Very low | 32.3 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | trans | -80.6 | 171.3 | 166.1 | -77.7 | -36.6 | 0 | 0 | 0 | 109.6 | ||||
| 667 | P | 34.6 | Very low | 32.3 | Very low | 121.333 Ų | 121.333 | 142.1 Ų | 142.1 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | -147.7 | 166.4 | 72.1 | 39.9 | -22.2 | 0 | 0 | 0 | 116.8 | |||||
| 668 | A | 30 | Very low | 32.3 | Very low | 87 Ų | 87 | 139 Ų | 139 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | trans | 28.5 | 142.8 | 146.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 669 | T | 31.2 | Very low | 32.4 | Very low | 123.667 Ų | 123.667 | 141.4 Ų | 141.4 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | 151.7 | 125 | 109.7 | -77.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 670 | Y | 30.9 | Very low | 32.5 | Very low | 200 Ų | 200 | 139.3 Ų | 139.3 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | trans | 96.8 | 146.5 | 143.4 | -96.1 | -127.8 | 0 | 0 | 0 | 119.7 | ||||
| 671 | R | 33.7 | Very low | 32.5 | Very low | 205.667 Ų | 205.667 | 142 Ų | 142 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | -139.3 | 136.8 | 129.5 | -62.1 | 179.9 | -172 | -170.4 | 2.1 | 118.6 | |||||
| 672 | D | 30.9 | Very low | 32.7 | Very low | 146.667 Ų | 146.667 | 137.8 Ų | 137.8 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | 17 | 157.8 | 118.2 | -108.4 | -8.4 | 0 | 0 | 0 | 118.4 | G674 | D672-G674 PolarHBondContact OD1-N 3.24Š| |||
| 673 | P | 39.9 | Very low | 32.6 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | cis | -136.7 | 169.8 | 9.1 | 42 | -24.8 | 0 | 0 | 0 | 116.7 | ||||
| 674 | G | 32.2 | Very low | 32.7 | Very low | 60.6667 Ų | 60.6667 | 134.1 Ų | 134.1 | 63% | 0.625 | 78% | 0.776 | S | S | * | * | trans | -160 | 139.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | D672 | D672-G674 PolarHBondContact OD1-N 3.24Š| ||
| 675 | T | 34.4 | Very low | 32.3 | Very low | 138.667 Ų | 138.667 | 135.7 Ų | 135.7 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | 91.4 | 113 | 150.9 | -28.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 676 | T | 30.8 | Very low | 32.1 | Very low | 113.667 Ų | 113.667 | 134.1 Ų | 134.1 | 70% | 0.697 | 77% | 0.77 | S | S | * | * | -98.8 | 132.5 | 118 | -67.3 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 677 | F | 32.2 | Very low | 32 | Very low | 200 Ų | 200 | 132 Ų | 132 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | 100.7 | 140.5 | 155.7 | -70.7 | -90.2 | 0 | 0 | 0 | 115.7 | ||||
| 678 | A | 31.9 | Very low | 31.9 | Very low | 83 Ų | 83 | 133.6 Ų | 133.6 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | cis | -148.2 | 152.3 | -18.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 679 | I | 33.2 | Very low | 32 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | -155.3 | 158.1 | 130.1 | -88.3 | 172.9 | 0 | 0 | 0 | 112.2 | ||||
| 680 | S | 31.8 | Very low | 32.1 | Very low | 97.3333 Ų | 97.3333 | 137.8 Ų | 137.8 | 68% | 0.681 | 77% | 0.767 | S | S | * | * | trans | -110.8 | 153.5 | -165.7 | -70.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 681 | E | 33.2 | Very low | 32.1 | Very low | 181.667 Ų | 181.667 | 136.3 Ų | 136.3 | 85% | 0.849 | 77% | 0.765 | S | S | * | * | cis | -160.4 | 149.4 | 39.5 | -96.4 | 167.1 | -163.6 | 0 | 0 | 108.6 | ||||
| 682 | A | 34 | Very low | 32.1 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | cis | 178.1 | 138.7 | 4.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V684 | A682-V684 PolarHBondContact O-N 3.41Š| ||
| 683 | S | 30.3 | Very low | 32.3 | Very low | 99.6667 Ų | 99.6667 | 132.6 Ų | 132.6 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | trans | -125.3 | 149.6 | -176.9 | 100.7 | 0 | 0 | 0 | 0 | 109.8 | Q685 | S683-Q685 PolarHBondContact O-N 3.47Å; S683-Q685 WeakPolarHBondContact OG-CG 3.47Å; S683-Q685 PolarHBondContact OG-N 3.43Å; S683-Q685 PolarHBondContact OG-NE2 3.04Å | ||
| 684 | V | 32.1 | Very low | 31.9 | Very low | 136.667 Ų | 136.667 | 131.2 Ų | 131.2 | 83% | 0.828 | 75% | 0.752 | S | S | * | * | trans | -116.8 | 116.8 | 139.9 | 179.5 | 0 | 0 | 0 | 0 | 110 | A682 T686 | A682-V684 PolarHBondContact O-N 3.41Å; V684-T686 PolarHBondContact O-N 3.47Å | ||
| 685 | Q | 28.1 | Very low | 31.8 | Very low | 155.667 Ų | 155.667 | 135.1 Ų | 135.1 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -106.9 | 128.5 | 171.8 | -76.3 | 175.1 | 25 | 0 | 0 | 110.3 | S683 T687 | S683-Q685 PolarHBondContact O-N 3.47Å; S683-Q685 WeakPolarHBondContact OG-CG 3.47Å; S683-Q685 PolarHBondContact OG-N 3.43Å; S683-Q685 PolarHBondContact OG-NE2 3.04Å; Q685-T687 HydrophobicContact CB-CG2 4.32Å; Q685-T687 PolarHBondContact O-N 2.89Å | ||
| 686 | T | 30.2 | Very low | 31.8 | Very low | 131.333 Ų | 131.333 | 135.9 Ų | 135.9 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | trans | -122.6 | 118.1 | 149.8 | -18.9 | 0 | 0 | 0 | 0 | 107.9 | V684 I688 | V684-T686 PolarHBondContact O-N 3.47Å; T686-I688 HydrophobicContact CG2-CG1 3.95Å; T686-I688 PolarHBondContact O-N 2.88Å | ||
| 687 | T | 27.5 | Very low | 31.7 | Very low | 107.667 Ų | 107.667 | 137 Ų | 137 | 66% | 0.661 | 76% | 0.758 | S | S | * | * | trans | -115.3 | 114.8 | 176.3 | 62.6 | 0 | 0 | 0 | 0 | 113.2 | Q685 S689 | Q685-T687 HydrophobicContact CB-CG2 4.32Å; Q685-T687 PolarHBondContact O-N 2.89Å; T687-S689 PolarHBondContact O-N 3.13Å; T687-S689 VanDerWaalsContact O-N 3.11Å | ||
| 688 | I | 31.7 | Very low | 31.6 | Very low | 153.667 Ų | 153.667 | 137 Ų | 137 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | trans | -71.2 | 136.3 | 164.4 | -60.8 | 173.1 | 0 | 0 | 0 | 109.6 | T686 K690 I693 | T686-I688 HydrophobicContact CG2-CG1 3.95Å; T686-I688 PolarHBondContact O-N 2.88Å; I688-K690 PolarHBondContact O-N 3.45Å; I688-I693 HydrophobicContact CG2-CD1 3.98Å | ||
| 689 | S | 32 | Very low | 31.6 | Very low | 98.6667 Ų | 98.6667 | 137.3 Ų | 137.3 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | trans | -87.8 | 156.1 | 179.4 | -170.4 | 0 | 0 | 0 | 0 | 113.4 | T687 K691 | T687-S689 PolarHBondContact O-N 3.13Å; T687-S689 VanDerWaalsContact O-N 3.11Å; S689-K691 PolarHBondContact O-N 3.19Å; S689-K691 WeakPolarHBondContact OG-CB 3.33Å | ||
| 690 | K | 32.5 | Very low | 31.7 | Very low | 201.333 Ų | 201.333 | 135 Ų | 135 | 88% | 0.875 | 75% | 0.745 | S | S | * | * | trans | -84.4 | 134.3 | 174.7 | -65.2 | 178.7 | 177.5 | 176.6 | 0 | 111.7 | I688 | I688-K690 PolarHBondContact O-N 3.45Š| ||
| 691 | K | 32.4 | Very low | 31.9 | Very low | 169 Ų | 169 | 136.3 Ų | 136.3 | 74% | 0.735 | 75% | 0.748 | S | S | * | * | trans | -176 | 143.8 | 157.7 | -148.7 | 178.6 | 172.4 | -163 | 0 | 113.9 | S689 S694 | S689-K691 PolarHBondContact O-N 3.19Å; S689-K691 WeakPolarHBondContact OG-CB 3.33Å; K691-S694 PolarHBondContact O-OG 3.32Å | ||
| 692 | D | 33.8 | Very low | 31.9 | Very low | 126.667 Ų | 126.667 | 132.7 Ų | 132.7 | 68% | 0.677 | 74% | 0.742 | S | S | * | * | trans | -120.7 | 167.8 | 154 | -75 | -41.4 | 0 | 0 | 0 | 115.7 | ||||
| 693 | I | 33.6 | Very low | 32 | Very low | 146.333 Ų | 146.333 | 134.4 Ų | 134.4 | 75% | 0.75 | 74% | 0.738 | S | S | * | * | trans | -117.7 | 122.3 | -169.9 | -66.5 | 171 | 0 | 0 | 0 | 111.4 | I688 | I688-I693 HydrophobicContact CG2-CD1 3.98Š| ||
| 694 | S | 32 | Very low | 32.7 | Very low | 96.3333 Ų | 96.3333 | 137.4 Ų | 137.4 | 67% | 0.674 | 74% | 0.741 | S | S | * | * | trans | -134.9 | 75.8 | 168.8 | 55.2 | 0 | 0 | 0 | 0 | 116.1 | K691 | K691-S694 PolarHBondContact O-OG 3.32Š| ||
| 695 | N | 30.1 | Very low | 32.9 | Very low | 143.333 Ų | 143.333 | 139.4 Ų | 139.4 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | trans | -126.8 | 77.3 | 156.2 | -64.6 | -16.2 | 0 | 0 | 0 | 115.2 | ||||
| 696 | L | 33.5 | Very low | 33.6 | Very low | 155.667 Ų | 155.667 | 134.2 Ų | 134.2 | 82% | 0.815 | 72% | 0.723 | S | S | * | * | trans | -129.5 | 131.3 | 151.3 | -86.7 | 171 | 0 | 0 | 0 | 111.1 | F698 | L696-F698 WeakPolarHBondContact O-CD2 3.29Å; L696-F698 PolarHBondContact O-N 3.03Å | ||
| 697 | N | 29.7 | Very low | 34.3 | Very low | 135.667 Ų | 135.667 | 130 Ų | 130 | 73% | 0.725 | 71% | 0.707 | S | S | * | * | trans | -79.3 | 140.9 | -178.3 | -71.5 | -40.8 | 0 | 0 | 0 | 111.8 | S699 D700 | N697-S699 VanDerWaalsContact C-N 3.27Å; N697-S699 PolarHBondContact O-N 2.94Å; N697-D700 WeakPolarHBondContact CB-OD2 3.47Å | ||
| 698 | F | 31.1 | Very low | 34.9 | Very low | 200 Ų | 200 | 131 Ų | 131 | 88% | 0.877 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 76.7 | 160.2 | -112.4 | -93.2 | 0 | 0 | 0 | 112.1 | L696 | L696-F698 WeakPolarHBondContact O-CD2 3.29Å; L696-F698 PolarHBondContact O-N 3.03Å |
| 699 | S | 31.9 | Very low | 36.1 | Very low | 89 Ų | 89 | 126.9 Ų | 126.9 | 62% | 0.622 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.7 | -35.6 | -173.1 | -135.7 | 0 | 0 | 0 | 0 | 114.6 | N697 V701 N703 | N697-S699 VanDerWaalsContact C-N 3.27Å; N697-S699 PolarHBondContact O-N 2.94Å; S699-V701 PolarHBondContact O-N 3.11Å; S699-N703 PolarHBondContact O-ND2 3.11Å |
| 700 | D | 33.4 | Very low | 37.6 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 62% | 0.62 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -14.3 | -174.3 | -72.4 | -47.9 | 0 | 0 | 0 | 116.1 | N697 C702 | N697-D700 WeakPolarHBondContact CB-OD2 3.47Å; D700-C702 VanDerWaalsContact C-N 3.29Å; D700-C702 PolarHBondContact O-N 3.16Å |
| 701 | V | 37.8 | Very low | 39.2 | Very low | 124.667 Ų | 124.667 | 121.4 Ų | 121.4 | 76% | 0.756 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -43.6 | -1.7 | -177.2 | -167.5 | 0 | 0 | 0 | 0 | 114.2 | S699 N703 | S699-V701 PolarHBondContact O-N 3.11Å; V701-N703 PolarHBondContact O-N 3.22Å |
| 702 | C | 33.3 | Very low | 41 | Very low | 105.333 Ų | 105.333 | 117.1 Ų | 117.1 | 71% | 0.712 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -99.1 | 5.8 | 175.5 | -94.8 | 0 | 0 | 0 | 0 | 114.4 | D700 Q704 | D700-C702 VanDerWaalsContact C-N 3.29Å; D700-C702 PolarHBondContact O-N 3.16Å; C702-Q704 PolarHBondContact O-N 2.96Å |
| 703 | N | 36 | Very low | 43.1 | Very low | 130 Ų | 130 | 115.3 Ų | 115.3 | 70% | 0.695 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -98.9 | 15 | -168.2 | -77.4 | -41.4 | 0 | 0 | 0 | 114.8 | S699 V701 | S699-N703 PolarHBondContact O-ND2 3.11Å; V701-N703 PolarHBondContact O-N 3.22Å |
| 704 | Q | 43.7 | Very low | 45 | Very low | 163.333 Ų | 163.333 | 111.9 Ų | 111.9 | 76% | 0.763 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -120.7 | 14.6 | -179.6 | -109.3 | 166.4 | 37.8 | 0 | 0 | 114 | C702 | C702-Q704 PolarHBondContact O-N 2.96Š|
| 705 | Y | 36.9 | Very low | 47 | Very low | 177 Ų | 177 | 113.5 Ų | 113.5 | 69% | 0.694 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -94.3 | 48.5 | -179 | -64.8 | -81 | 0 | 0 | 0 | 115.6 | T709 | Y705-T709 PolarHBondContact O-OG1 3.03Å; Y705-T709 VanDerWaalsContact O-OG1 3.12Å |
| 706 | G | 41.6 | Very low | 49.3 | Very low | 46.6667 Ų | 46.6667 | 110.6 Ų | 110.6 | 48% | 0.481 | 60% | 0.596 | S | S | . | * | trans | -85.3 | -32.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | F708 T709 E710 | G706-F708 VanDerWaalsContact C-N 3.32Å; G706-F708 PolarHBondContact O-N 3.32Å; G706-F708 VanDerWaalsContact O-N 3.09Å; G706-T709 PolarHBondContact O-N 3.24Å; G706-T709 PolarHBondContact O-OG1 3.11Å; G706-E710 PolarHBondContact O-N 2.98Å | ||
| 707 | G | 44.8 | Very low | 51.7 | Low | 44.6667 Ų | 44.6667 | 109.1 Ų | 109.1 | 46% | 0.46 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.1 | -15.1 | -164.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | T709 A711 | G707-T709 VanDerWaalsContact C-N 3.32Å; G707-A711 WeakPolarHBondContact O-CB 3.17Å; G707-A711 PolarHBondContact O-N 3.13Å; G707-A711 VanDerWaalsContact O-N 3.1Å |
| 708 | F | 40.4 | Very low | 54.1 | Low | 127 Ų | 127 | 109.5 Ų | 109.5 | 56% | 0.557 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71.9 | -42.6 | 171.6 | -172.4 | -90 | 0 | 0 | 0 | 111.6 | L637 G706 E710 A711 L712 | L637-F708 HydrophobicContact CD1-CD2 4.1Å; L637-F708 HydrophobicContact CD1-CE2 3.89Å; L637-F708 HydrophobicContact CD2-CE2 3.88Å; G706-F708 VanDerWaalsContact C-N 3.32Å; G706-F708 PolarHBondContact O-N 3.32Å; G706-F708 VanDerWaalsContact O-N 3.09Å; F708-E710 VanDerWaalsContact C-N 3.33Å; F708-A711 PolarHBondContact O-N 3.46Å; F708-L712 HydrophobicContact CE1-CD2 4.34Å; F708-L712 VanDerWaalsContact O-CB 3.27Å; F708-L712 WeakPolarHBondContact O-CB 3.34Å; F708-L712 PolarHBondContact O-N 3.01Å; F708-L712 VanDerWaalsContact O-N 3.07Å |
| 709 | T | 58.6 | Low | 56.2 | Low | 68 Ų | 68 | 107.1 Ų | 107.1 | 42% | 0.417 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.8 | -44.4 | 175.2 | 43.8 | 0 | 0 | 0 | 0 | 111.2 | Y705 G706 G707 A711 L712 V713 | Y705-T709 PolarHBondContact O-OG1 3.03Å; Y705-T709 VanDerWaalsContact O-OG1 3.12Å; G706-T709 PolarHBondContact O-N 3.24Å; G706-T709 PolarHBondContact O-OG1 3.11Å; G707-T709 VanDerWaalsContact C-N 3.32Å; T709-A711 VanDerWaalsContact C-N 3.34Å; T709-A711 PolarHBondContact O-N 2.89Å; T709-L712 CarbonylContact O-C 2.92Å; T709-L712 PolarHBondContact O-N 3.05Å; T709-V713 WeakPolarHBondContact O-CB 3.38Å; T709-V713 VanDerWaalsContact O-CG2 3.27Å; T709-V713 WeakPolarHBondContact O-CG2 3.37Å; T709-V713 PolarHBondContact O-N 3.1Å |
| 710 | E | 62.6 | Low | 58.4 | Low | 139 Ų | 139 | 111 Ų | 111 | 65% | 0.65 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.1 | -49.4 | 176.8 | -172.9 | 178.4 | -159.7 | 0 | 0 | 111.6 | G706 F708 L712 V713 E714 | G706-E710 PolarHBondContact O-N 2.98Å; F708-E710 VanDerWaalsContact C-N 3.33Å; E710-L712 VanDerWaalsContact C-N 3.27Å; E710-L712 PolarHBondContact O-N 3.33Å; E710-V713 PolarHBondContact O-N 3.05Å; E710-V713 VanDerWaalsContact O-N 3.14Å; E710-E714 VanDerWaalsContact O-CB 3.29Å; E710-E714 WeakPolarHBondContact O-CB 3.3Å; E710-E714 PolarHBondContact O-N 3.14Å |
| 711 | A | 66.8 | Low | 60.6 | Low | 45.3333 Ų | 45.3333 | 110.4 Ų | 110.4 | 38% | 0.375 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.8 | -30.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G707 F708 T709 R715 | G707-A711 WeakPolarHBondContact O-CB 3.17Å; G707-A711 PolarHBondContact O-N 3.13Å; G707-A711 VanDerWaalsContact O-N 3.1Å; F708-A711 PolarHBondContact O-N 3.46Å; T709-A711 VanDerWaalsContact C-N 3.34Å; T709-A711 PolarHBondContact O-N 2.89Å; A711-R715 VanDerWaalsContact O-CB 3.24Å; A711-R715 WeakPolarHBondContact O-CB 3.27Å; A711-R715 PolarHBondContact O-N 2.91Å |
| 712 | L | 69.7 | Low | 62.6 | Low | 79.3333 Ų | 79.3333 | 109.7 Ų | 109.7 | 42% | 0.415 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72.6 | -45.3 | 173.3 | -171.7 | 66.7 | 0 | 0 | 0 | 111.4 | F708 T709 E710 E714 R715 V716 | F708-L712 HydrophobicContact CE1-CD2 4.34Å; F708-L712 VanDerWaalsContact O-CB 3.27Å; F708-L712 WeakPolarHBondContact O-CB 3.34Å; F708-L712 PolarHBondContact O-N 3.01Å; F708-L712 VanDerWaalsContact O-N 3.07Å; T709-L712 CarbonylContact O-C 2.92Å; T709-L712 PolarHBondContact O-N 3.05Å; E710-L712 VanDerWaalsContact C-N 3.27Å; E710-L712 PolarHBondContact O-N 3.33Å; L712-E714 VanDerWaalsContact C-N 3.33Å; L712-E714 PolarHBondContact O-N 3.06Å; L712-R715 CarbonylContact O-C 3.6Å; L712-R715 WeakPolarHBondContact O-CA 3.24Å; L712-R715 WeakPolarHBondContact O-CB 3.03Å; L712-R715 PolarHBondContact O-N 3.22Å; L712-R715 VanDerWaalsContact O-N 3.12Å; L712-V716 WeakPolarHBondContact O-CG2 3.41Å; L712-V716 PolarHBondContact O-N 3.14Å |
| 713 | V | 77.8 | Confident | 64.4 | Low | 89.6667 Ų | 89.6667 | 113.3 Ų | 113.3 | 54% | 0.543 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 175.8 | 168.8 | 0 | 0 | 0 | 0 | 110.9 | T709 E710 R715 V716 K717 L1242 | T709-V713 WeakPolarHBondContact O-CB 3.38Å; T709-V713 VanDerWaalsContact O-CG2 3.27Å; T709-V713 WeakPolarHBondContact O-CG2 3.37Å; T709-V713 PolarHBondContact O-N 3.1Å; E710-V713 PolarHBondContact O-N 3.05Å; E710-V713 VanDerWaalsContact O-N 3.14Å; V713-R715 PolarHBondContact O-N 2.87Å; V713-V716 PolarHBondContact O-N 3.12Å; V713-K717 VanDerWaalsContact O-CB 3.25Å; V713-K717 WeakPolarHBondContact O-CB 3.44Å; V713-K717 PolarHBondContact O-N 3.31Å; V713-L1242 HydrophobicContact CG2-CD2 4.45Å |
| 714 | E | 72.8 | Confident | 66.3 | Low | 73.3333 Ų | 73.3333 | 111.1 Ų | 111.1 | 34% | 0.343 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 173.5 | -126.1 | -104.8 | -140.2 | 0 | 0 | 111.7 | E710 L712 V716 K717 R718 | E710-E714 VanDerWaalsContact O-CB 3.29Å; E710-E714 WeakPolarHBondContact O-CB 3.3Å; E710-E714 PolarHBondContact O-N 3.14Å; L712-E714 VanDerWaalsContact C-N 3.33Å; L712-E714 PolarHBondContact O-N 3.06Å; E714-V716 VanDerWaalsContact C-N 3.32Å; E714-V716 PolarHBondContact O-N 3.29Å; E714-K717 WeakPolarHBondContact O-CB 3.24Å; E714-K717 PolarHBondContact O-N 3.15Å; E714-K717 VanDerWaalsContact O-N 3.14Å; E714-R718 VanDerWaalsContact CD-CZ 3.43Å; E714-R718 VanDerWaalsContact CD-NE 3.27Å; E714-R718 VanDerWaalsContact CD-NH2 3.31Å; E714-R718 WeakPolarHBondContact O-CB 3.47Å; E714-R718 VanDerWaalsContact O-CG 3.23Å; E714-R718 WeakPolarHBondContact O-CG 3.34Å; E714-R718 PolarHBondContact O-N 3.17Å; E714-R718 IonicContact OE1-CZ 3.1Å; E714-R718 IonicContact OE1-NE 2.76Å; E714-R718 PolarHBondContact OE1-NE 2.88Å; E714-R718 IonicContact OE1-NH1 3.54Å; E714-R718 PolarHBondContact OE1-NH1 3.09Å; E714-R718 IonicContact OE1-NH2 2.98Å; E714-R718 PolarHBondContact OE1-NH2 3.06Å; E714-R718 WeakPolarHBondContact OE2-CG 3.37Å; E714-R718 IonicContact OE2-CZ 2.99Å; E714-R718 IonicContact OE2-NE 3.72Å; E714-R718 PolarHBondContact OE2-NE 3.04Å; E714-R718 IonicContact OE2-NH1 2.68Å; E714-R718 PolarHBondContact OE2-NH1 2.83Å; E714-R718 IonicContact OE2-NH2 2.79Å; E714-R718 PolarHBondContact OE2-NH2 3.41Å |
| 715 | R | 74.6 | Confident | 67.5 | Low | 130.667 Ų | 130.667 | 109.4 Ų | 109.4 | 49% | 0.493 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 175.8 | -175.6 | 179.7 | -77.5 | 125.5 | -8.8 | 112.3 | A711 L712 V713 R719 | A711-R715 VanDerWaalsContact O-CB 3.24Å; A711-R715 WeakPolarHBondContact O-CB 3.27Å; A711-R715 PolarHBondContact O-N 2.91Å; L712-R715 CarbonylContact O-C 3.6Å; L712-R715 WeakPolarHBondContact O-CA 3.24Å; L712-R715 WeakPolarHBondContact O-CB 3.03Å; L712-R715 PolarHBondContact O-N 3.22Å; L712-R715 VanDerWaalsContact O-N 3.12Å; V713-R715 PolarHBondContact O-N 2.87Å; R715-R719 WeakPolarHBondContact O-CG 3.16Å; R715-R719 PolarHBondContact O-N 3.17Å; R715-R719 VanDerWaalsContact O-N 3.15Å |
| 716 | V | 78.1 | Confident | 69.1 | Low | 82 Ų | 82 | 105.4 Ų | 105.4 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.4 | -44.1 | 174.2 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | L712 V713 E714 R718 R719 R720 | L712-V716 WeakPolarHBondContact O-CG2 3.41Å; L712-V716 PolarHBondContact O-N 3.14Å; V713-V716 PolarHBondContact O-N 3.12Å; E714-V716 VanDerWaalsContact C-N 3.32Å; E714-V716 PolarHBondContact O-N 3.29Å; V716-R718 PolarHBondContact O-N 3.34Å; V716-R719 PolarHBondContact O-N 3.08Å; V716-R719 VanDerWaalsContact O-N 3.17Å; V716-R720 WeakPolarHBondContact O-CB 3.33Å; V716-R720 PolarHBondContact O-N 3.18Å |
| 717 | K | 83.3 | Confident | 70.2 | Confident | 125 Ų | 125 | 105.9 Ų | 105.9 | 54% | 0.543 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 176.8 | -174.5 | 179.4 | 179.8 | -177.3 | 0 | 111.7 | V713 E714 R720 Q721 | V713-K717 VanDerWaalsContact O-CB 3.25Å; V713-K717 WeakPolarHBondContact O-CB 3.44Å; V713-K717 PolarHBondContact O-N 3.31Å; E714-K717 WeakPolarHBondContact O-CB 3.24Å; E714-K717 PolarHBondContact O-N 3.15Å; E714-K717 VanDerWaalsContact O-N 3.14Å; K717-R720 PolarHBondContact O-N 3.23Å; K717-Q721 WeakPolarHBondContact O-CB 3.48Å; K717-Q721 WeakPolarHBondContact O-CG 3.34Å; K717-Q721 PolarHBondContact O-N 3.19Å |
| 718 | R | 80.1 | Confident | 70.9 | Confident | 144.333 Ų | 144.333 | 109.8 Ų | 109.8 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 173.6 | -71.3 | 178.3 | -168.4 | 156.8 | 3.5 | 111.9 | E714 V716 R720 Q721 Q722 | E714-R718 VanDerWaalsContact CD-CZ 3.43Å; E714-R718 VanDerWaalsContact CD-NE 3.27Å; E714-R718 VanDerWaalsContact CD-NH2 3.31Å; E714-R718 WeakPolarHBondContact O-CB 3.47Å; E714-R718 VanDerWaalsContact O-CG 3.23Å; E714-R718 WeakPolarHBondContact O-CG 3.34Å; E714-R718 PolarHBondContact O-N 3.17Å; E714-R718 IonicContact OE1-CZ 3.1Å; E714-R718 IonicContact OE1-NE 2.76Å; E714-R718 PolarHBondContact OE1-NE 2.88Å; E714-R718 IonicContact OE1-NH1 3.54Å; E714-R718 PolarHBondContact OE1-NH1 3.09Å; E714-R718 IonicContact OE1-NH2 2.98Å; E714-R718 PolarHBondContact OE1-NH2 3.06Å; E714-R718 WeakPolarHBondContact OE2-CG 3.37Å; E714-R718 IonicContact OE2-CZ 2.99Å; E714-R718 IonicContact OE2-NE 3.72Å; E714-R718 PolarHBondContact OE2-NE 3.04Å; E714-R718 IonicContact OE2-NH1 2.68Å; E714-R718 PolarHBondContact OE2-NH1 2.83Å; E714-R718 IonicContact OE2-NH2 2.79Å; E714-R718 PolarHBondContact OE2-NH2 3.41Å; V716-R718 PolarHBondContact O-N 3.34Å; R718-R720 VanDerWaalsContact C-N 3.29Å; R718-R720 PolarHBondContact O-N 3.05Å; R718-Q721 PolarHBondContact O-N 3.1Å; R718-Q722 VanDerWaalsContact O-CB 3.28Å; R718-Q722 WeakPolarHBondContact O-CB 3.35Å; R718-Q722 PolarHBondContact O-N 3.05Å |
| 719 | R | 75.1 | Confident | 71.5 | Confident | 148.333 Ų | 148.333 | 108.9 Ų | 108.9 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.5 | -34.8 | 175.2 | -80.3 | -179.5 | 168.6 | 178 | -5.1 | 112.8 | R715 V716 Q722 R723 | R715-R719 WeakPolarHBondContact O-CG 3.16Å; R715-R719 PolarHBondContact O-N 3.17Å; R715-R719 VanDerWaalsContact O-N 3.15Å; V716-R719 PolarHBondContact O-N 3.08Å; V716-R719 VanDerWaalsContact O-N 3.17Å; R719-Q722 PolarHBondContact O-N 3.35Å; R719-R723 WeakPolarHBondContact O-CG 3.42Å; R719-R723 PolarHBondContact O-N 3.15Å |
| 720 | R | 79.4 | Confident | 70.9 | Confident | 171 Ų | 171 | 114.6 Ų | 114.6 | 65% | 0.645 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.7 | -47.1 | 175.2 | -162.8 | 173.6 | -170.1 | 148.8 | 3.2 | 111.4 | V716 K717 R718 Q722 R723 E724 | V716-R720 WeakPolarHBondContact O-CB 3.33Å; V716-R720 PolarHBondContact O-N 3.18Å; K717-R720 PolarHBondContact O-N 3.23Å; R718-R720 VanDerWaalsContact C-N 3.29Å; R718-R720 PolarHBondContact O-N 3.05Å; R720-Q722 VanDerWaalsContact C-N 3.29Å; R720-Q722 PolarHBondContact O-N 3.05Å; R720-R723 PolarHBondContact O-N 3.08Å; R720-E724 WeakPolarHBondContact CG-OE1 3.44Å; R720-E724 IonicContact NE-OE1 3.65Å; R720-E724 PolarHBondContact NE-OE1 2.63Å; R720-E724 WeakPolarHBondContact O-CB 3.4Å; R720-E724 WeakPolarHBondContact O-CG 3.23Å; R720-E724 PolarHBondContact O-N 2.96Å |
| 721 | Q | 79.3 | Confident | 70 | Confident | 103.667 Ų | 103.667 | 116.8 Ų | 116.8 | 48% | 0.484 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61 | -36.7 | 173.6 | -74.2 | -177.6 | -37 | 0 | 0 | 112.6 | K717 R718 E724 M725 | K717-Q721 WeakPolarHBondContact O-CB 3.48Å; K717-Q721 WeakPolarHBondContact O-CG 3.34Å; K717-Q721 PolarHBondContact O-N 3.19Å; R718-Q721 PolarHBondContact O-N 3.1Å; Q721-E724 CarbonylContact O-C 3.39Å; Q721-E724 WeakPolarHBondContact O-CB 3.34Å; Q721-E724 PolarHBondContact O-N 3.09Å; Q721-M725 WeakPolarHBondContact O-CB 3.42Å; Q721-M725 VanDerWaalsContact O-CG 3.27Å; Q721-M725 WeakPolarHBondContact O-CG 3.3Å; Q721-M725 PolarHBondContact O-N 2.87Å |
| 722 | Q | 78.7 | Confident | 68.6 | Low | 109.667 Ų | 109.667 | 118.5 Ų | 118.5 | 51% | 0.512 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.8 | -49 | 176.5 | -179.4 | 172.4 | -7 | 0 | 0 | 111.5 | R718 R719 R720 E724 M725 E726 | R718-Q722 VanDerWaalsContact O-CB 3.28Å; R718-Q722 WeakPolarHBondContact O-CB 3.35Å; R718-Q722 PolarHBondContact O-N 3.05Å; R719-Q722 PolarHBondContact O-N 3.35Å; R720-Q722 VanDerWaalsContact C-N 3.29Å; R720-Q722 PolarHBondContact O-N 3.05Å; Q722-E724 VanDerWaalsContact C-N 3.28Å; Q722-E724 PolarHBondContact O-N 3.25Å; Q722-M725 WeakPolarHBondContact O-CB 3.43Å; Q722-M725 PolarHBondContact O-N 3.15Å; Q722-M725 VanDerWaalsContact O-N 3.12Å; Q722-E726 HydrophobicContact CG-CG 4.48Å; Q722-E726 VanDerWaalsContact CG-OE1 3.26Å; Q722-E726 WeakPolarHBondContact CG-OE1 3.34Å; Q722-E726 PolarHBondContact NE2-OE1 3.28Å; Q722-E726 WeakPolarHBondContact O-CB 3.4Å; Q722-E726 WeakPolarHBondContact O-CG 3.42Å; Q722-E726 PolarHBondContact O-N 3.22Å |
| 723 | R | 72.3 | Confident | 66.8 | Low | 181.333 Ų | 181.333 | 120.1 Ų | 120.1 | 68% | 0.684 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.4 | -34.7 | 172.6 | -72.9 | -170.1 | -148.8 | -174.6 | 0.5 | 112.4 | R719 R720 M725 S727 | R719-R723 WeakPolarHBondContact O-CG 3.42Å; R719-R723 PolarHBondContact O-N 3.15Å; R720-R723 PolarHBondContact O-N 3.08Å; R723-M725 VanDerWaalsContact C-N 3.35Å; R723-S727 VanDerWaalsContact O-CB 3.28Å; R723-S727 WeakPolarHBondContact O-CB 3.44Å; R723-S727 PolarHBondContact O-N 3.15Å; R723-S727 PolarHBondContact O-OG 3.03Å |
| 724 | E | 76.3 | Confident | 64.7 | Low | 84 Ų | 84 | 121.1 Ų | 121.1 | 39% | 0.393 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.8 | -37.6 | 172.5 | -81.5 | -175.7 | -138.9 | 0 | 0 | 112.9 | R720 Q721 Q722 S727 K728 | R720-E724 WeakPolarHBondContact CG-OE1 3.44Å; R720-E724 IonicContact NE-OE1 3.65Å; R720-E724 PolarHBondContact NE-OE1 2.63Å; R720-E724 WeakPolarHBondContact O-CB 3.4Å; R720-E724 WeakPolarHBondContact O-CG 3.23Å; R720-E724 PolarHBondContact O-N 2.96Å; Q721-E724 CarbonylContact O-C 3.39Å; Q721-E724 WeakPolarHBondContact O-CB 3.34Å; Q721-E724 PolarHBondContact O-N 3.09Å; Q722-E724 VanDerWaalsContact C-N 3.28Å; Q722-E724 PolarHBondContact O-N 3.25Å; E724-S727 PolarHBondContact O-N 2.98Å; E724-S727 PolarHBondContact O-OG 3.36Å; E724-K728 WeakPolarHBondContact O-CB 3.34Å; E724-K728 VanDerWaalsContact O-CD 3.29Å; E724-K728 WeakPolarHBondContact O-CD 3.33Å; E724-K728 WeakPolarHBondContact O-CE 3.38Å; E724-K728 WeakPolarHBondContact O-CG 3.33Å; E724-K728 PolarHBondContact O-N 3.18Å; E724-K728 VanDerWaalsContact O-N 3.07Å; E724-K728 IonicContact OE2-NZ 3.64Å; E724-K728 PolarHBondContact OE2-NZ 3.47Å |
| 725 | M | 69.2 | Low | 62.9 | Low | 128.333 Ų | 128.333 | 124.8 Ų | 124.8 | 63% | 0.632 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67 | -49.4 | 173.5 | -70.1 | -114.7 | -131.4 | 0 | 0 | 110.8 | Q721 Q722 R723 S727 K728 V729 | Q721-M725 WeakPolarHBondContact O-CB 3.42Å; Q721-M725 VanDerWaalsContact O-CG 3.27Å; Q721-M725 WeakPolarHBondContact O-CG 3.3Å; Q721-M725 PolarHBondContact O-N 2.87Å; Q722-M725 WeakPolarHBondContact O-CB 3.43Å; Q722-M725 PolarHBondContact O-N 3.15Å; Q722-M725 VanDerWaalsContact O-N 3.12Å; R723-M725 VanDerWaalsContact C-N 3.35Å; M725-S727 VanDerWaalsContact C-N 3.33Å; M725-S727 PolarHBondContact O-N 3.27Å; M725-K728 WeakPolarHBondContact O-CA 3.38Å; M725-K728 WeakPolarHBondContact O-CB 3.42Å; M725-K728 PolarHBondContact O-N 2.82Å; M725-K728 VanDerWaalsContact O-N 3.09Å; M725-V729 WeakPolarHBondContact O-CG2 3.34Å; M725-V729 PolarHBondContact O-N 2.78Å |
| 726 | E | 70.3 | Confident | 61.1 | Low | 92.3333 Ų | 92.3333 | 127.2 Ų | 127.2 | 43% | 0.431 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -57 | -45.1 | 177.4 | -70.1 | 160.4 | 179.7 | 0 | 0 | 111 | Q722 K728 V729 F730 | Q722-E726 HydrophobicContact CG-CG 4.48Å; Q722-E726 VanDerWaalsContact CG-OE1 3.26Å; Q722-E726 WeakPolarHBondContact CG-OE1 3.34Å; Q722-E726 PolarHBondContact NE2-OE1 3.28Å; Q722-E726 WeakPolarHBondContact O-CB 3.4Å; Q722-E726 WeakPolarHBondContact O-CG 3.42Å; Q722-E726 PolarHBondContact O-N 3.22Å; E726-K728 VanDerWaalsContact C-N 3.28Å; E726-K728 PolarHBondContact O-N 3.23Å; E726-V729 PolarHBondContact O-N 3.12Å; E726-F730 WeakPolarHBondContact O-CD2 3.49Å; E726-F730 PolarHBondContact O-N 3.21Å; E726-F730 VanDerWaalsContact O-N 3.13Å |
| 727 | S | 64.9 | Low | 59.1 | Low | 57.6667 Ų | 57.6667 | 130.3 Ų | 130.3 | 40% | 0.403 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -69.7 | -18.6 | 176.2 | 73.7 | 0 | 0 | 0 | 0 | 114.9 | R723 E724 M725 K731 | R723-S727 VanDerWaalsContact O-CB 3.28Å; R723-S727 WeakPolarHBondContact O-CB 3.44Å; R723-S727 PolarHBondContact O-N 3.15Å; R723-S727 PolarHBondContact O-OG 3.03Å; E724-S727 PolarHBondContact O-N 2.98Å; E724-S727 PolarHBondContact O-OG 3.36Å; M725-S727 VanDerWaalsContact C-N 3.33Å; M725-S727 PolarHBondContact O-N 3.27Å; S727-K731 WeakPolarHBondContact O-CB 3.39Å; S727-K731 WeakPolarHBondContact O-CD 3.39Å; S727-K731 VanDerWaalsContact O-CG 3.29Å; S727-K731 WeakPolarHBondContact O-CG 3.41Å |
| 728 | K | 59.3 | Low | 56.8 | Low | 125.333 Ų | 125.333 | 129.9 Ų | 129.9 | 55% | 0.545 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -86.1 | -38.8 | 173.2 | -73.2 | 164.4 | -166.2 | 166.3 | 0 | 110.9 | E724 M725 E726 F730 K731 A732 | E724-K728 WeakPolarHBondContact O-CB 3.34Å; E724-K728 VanDerWaalsContact O-CD 3.29Å; E724-K728 WeakPolarHBondContact O-CD 3.33Å; E724-K728 WeakPolarHBondContact O-CE 3.38Å; E724-K728 WeakPolarHBondContact O-CG 3.33Å; E724-K728 PolarHBondContact O-N 3.18Å; E724-K728 VanDerWaalsContact O-N 3.07Å; E724-K728 IonicContact OE2-NZ 3.64Å; E724-K728 PolarHBondContact OE2-NZ 3.47Å; M725-K728 WeakPolarHBondContact O-CA 3.38Å; M725-K728 WeakPolarHBondContact O-CB 3.42Å; M725-K728 PolarHBondContact O-N 2.82Å; M725-K728 VanDerWaalsContact O-N 3.09Å; E726-K728 VanDerWaalsContact C-N 3.28Å; E726-K728 PolarHBondContact O-N 3.23Å; K728-F730 VanDerWaalsContact C-N 3.3Å; K728-F730 PolarHBondContact O-N 3.02Å; K728-K731 CarbonylContact O-C 3.59Å; K728-K731 PolarHBondContact O-N 3.18Å; K728-K731 VanDerWaalsContact O-N 3.11Å; K728-A732 WeakPolarHBondContact O-CB 3.42Å; K728-A732 PolarHBondContact O-N 2.86Å |
| 729 | V | 52.8 | Low | 54.5 | Low | 108 Ų | 108 | 130.9 Ų | 130.9 | 66% | 0.655 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -61.9 | -42 | 173.4 | 172 | 0 | 0 | 0 | 0 | 111.1 | M725 E726 K731 A732 | M725-V729 WeakPolarHBondContact O-CG2 3.34Å; M725-V729 PolarHBondContact O-N 2.78Å; E726-V729 PolarHBondContact O-N 3.12Å; V729-K731 VanDerWaalsContact C-N 3.33Å; V729-K731 PolarHBondContact O-N 3.17Å; V729-K731 VanDerWaalsContact O-N 3.09Å; V729-A732 PolarHBondContact O-N 2.98Å; V729-A732 VanDerWaalsContact O-N 3.16Å |
| 730 | F | 45.5 | Very low | 52.5 | Low | 189 Ų | 189 | 133.7 Ų | 133.7 | 83% | 0.829 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -4.2 | 173.9 | -88.8 | -80.8 | 0 | 0 | 0 | 115.2 | E726 K728 A732 | E726-F730 WeakPolarHBondContact O-CD2 3.49Å; E726-F730 PolarHBondContact O-N 3.21Å; E726-F730 VanDerWaalsContact O-N 3.13Å; K728-F730 VanDerWaalsContact C-N 3.3Å; K728-F730 PolarHBondContact O-N 3.02Å; F730-A732 PolarHBondContact O-N 3.11Å |
| 731 | K | 43.2 | Very low | 50.1 | Low | 183.667 Ų | 183.667 | 130 Ų | 130 | 80% | 0.799 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | 21.3 | 176 | -77.4 | -178.5 | 176.2 | -178.1 | 0 | 113.3 | S727 K728 V729 | S727-K731 WeakPolarHBondContact O-CB 3.39Å; S727-K731 WeakPolarHBondContact O-CD 3.39Å; S727-K731 VanDerWaalsContact O-CG 3.29Å; S727-K731 WeakPolarHBondContact O-CG 3.41Å; K728-K731 CarbonylContact O-C 3.59Å; K728-K731 PolarHBondContact O-N 3.18Å; K728-K731 VanDerWaalsContact O-N 3.11Å; V729-K731 VanDerWaalsContact C-N 3.33Å; V729-K731 PolarHBondContact O-N 3.17Å; V729-K731 VanDerWaalsContact O-N 3.09Å |
| 732 | A | 37.3 | Very low | 47.9 | Very low | 82.3333 Ų | 82.3333 | 129 Ų | 129 | 68% | 0.68 | 67% | 0.669 | S | S | * | * | trans | -122.1 | 29.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K728 V729 F730 | K728-A732 WeakPolarHBondContact O-CB 3.42Å; K728-A732 PolarHBondContact O-N 2.86Å; V729-A732 PolarHBondContact O-N 2.98Å; V729-A732 VanDerWaalsContact O-N 3.16Å; F730-A732 PolarHBondContact O-N 3.11Å | ||
| 733 | S | 32.4 | Very low | 45.7 | Very low | 112.333 Ų | 112.333 | 129.3 Ų | 129.3 | 79% | 0.786 | 68% | 0.682 | S | S | * | * | trans | -147.9 | 112.5 | 168.7 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 734 | P | 34.6 | Very low | 43.8 | Very low | 111.333 Ų | 111.333 | 128.5 Ų | 128.5 | 72% | 0.723 | 69% | 0.686 | S | S | * | * | trans | -108.8 | 141.4 | 176.3 | 36 | -28 | 0 | 0 | 0 | 113 | ||||
| 735 | N | 34.4 | Very low | 41.9 | Very low | 150.333 Ų | 150.333 | 129.9 Ų | 129.9 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | -58 | 128.3 | 168.3 | -69.5 | -50 | 0 | 0 | 0 | 114.5 | ||||
| 736 | K | 36.1 | Very low | 40.2 | Very low | 182 Ų | 182 | 129 Ų | 129 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | trans | 89.4 | 134.1 | 130.1 | -73 | -179.3 | 173.6 | -173.1 | 0 | 116.3 | ||||
| 737 | D | 35.8 | Very low | 38.7 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | -135.7 | 134.2 | 106.2 | -82.1 | -38.2 | 0 | 0 | 0 | 114.8 | |||||
| 738 | T | 34.7 | Very low | 37.4 | Very low | 116.333 Ų | 116.333 | 135.4 Ų | 135.4 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | trans | -128.9 | 122.2 | 165.6 | -59.6 | 0 | 0 | 0 | 0 | 115.1 | R740 | T738-R740 PolarHBondContact O-N 2.89Š| ||
| 739 | L | 33.2 | Very low | 36.2 | Very low | 166.667 Ų | 166.667 | 133.9 Ų | 133.9 | 87% | 0.873 | 75% | 0.75 | S | S | * | * | trans | 38.4 | 117.6 | 154.4 | -63.2 | 171.1 | 0 | 0 | 0 | 119.7 | ||||
| 740 | R | 32 | Very low | 35.5 | Very low | 205.333 Ų | 205.333 | 135.1 Ų | 135.1 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | -177.2 | 105.2 | 133.4 | -153.1 | 173.2 | -170.4 | -130.9 | 2.8 | 115.7 | T738 H767 | T738-R740 PolarHBondContact O-N 2.89Å; R740-H767 PolarHBondContact NE-CE1 3.21Å; R740-H767 VanDerWaalsContact NE-CE1 3.25Å; R740-H767 PolarHBondContact NE-NE2 3.22Å; R740-H767 PolarHBondContact NH2-CE1 3.39Å; R740-H767 VanDerWaalsContact NH2-CE1 3.34Å; R740-H767 PolarHBondContact NH2-NE2 2.82Å | ||
| 741 | S | 29.6 | Very low | 35.2 | Very low | 93.6667 Ų | 93.6667 | 131.7 Ų | 131.7 | 66% | 0.655 | 76% | 0.755 | S | S | * | * | trans | -34 | 135 | 147.2 | -175.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 742 | S | 33.5 | Very low | 34.9 | Very low | 84.3333 Ų | 84.3333 | 128.5 Ų | 128.5 | 59% | 0.59 | 76% | 0.755 | S | S | * | * | trans | 149.3 | 132.6 | 136.7 | -72.4 | 0 | 0 | 0 | 0 | 114.1 | L773 | S742-L773 WeakPolarHBondContact OG-CD2 3.49Š| ||
| 743 | C | 31.7 | Very low | 35.1 | Very low | 114.333 Ų | 114.333 | 130.8 Ų | 130.8 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -51.5 | 145 | 155.3 | -54.5 | 0 | 0 | 0 | 0 | 115.4 | S771 | C743-S771 WeakPolarHBondContact O-CB 3.2Å; C743-S771 PolarHBondContact O-OG 3.2Å | ||
| 744 | E | 32.6 | Very low | 35.4 | Very low | 164.667 Ų | 164.667 | 129.2 Ų | 129.2 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | 153.9 | 136.5 | 145.8 | -89.9 | -176.9 | -164.1 | 0 | 0 | 114.4 | A770 S771 | E744-A770 WeakPolarHBondContact OE2-CA 3.36Å; E744-A770 PolarHBondContact OE2-N 3.33Å; E744-S771 PolarHBondContact OE2-N 3.19Å | ||
| 745 | V | 36.3 | Very low | 35.5 | Very low | 113.333 Ų | 113.333 | 132.8 Ų | 132.8 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | 81.9 | 130.7 | 112.7 | -178.2 | 0 | 0 | 0 | 0 | 116 | S769 | V745-S769 WeakPolarHBondContact CG1-OG 3.27Š| |||
| 746 | S | 33.9 | Very low | 35.7 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -101.5 | 149.1 | 162.5 | -54.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 747 | P | 39.8 | Very low | 35.9 | Very low | 124 Ų | 124 | 128 Ų | 128 | 81% | 0.805 | 76% | 0.757 | S | S | * | * | trans | -105.8 | 129.4 | 148.7 | 23.8 | -12.6 | 0 | 0 | 0 | 111.5 | ||||
| 748 | L | 36 | Very low | 36 | Very low | 160.333 Ų | 160.333 | 127.1 Ų | 127.1 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | trans | -72.3 | 140.5 | 143.3 | -165.4 | 74.2 | 0 | 0 | 0 | 110.4 | ||||
| 749 | S | 35.5 | Very low | 36.1 | Very low | 93.3333 Ų | 93.3333 | 128.4 Ų | 128.4 | 65% | 0.653 | 75% | 0.748 | S | S | * | * | 174.5 | 139.7 | 114.9 | -60.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 750 | T | 38.1 | Very low | 36.2 | Very low | 134.667 Ų | 134.667 | 126.2 Ų | 126.2 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | trans | 105.1 | 142.5 | 133.8 | 51.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 751 | P | 39.6 | Very low | 36.6 | Very low | 116.333 Ų | 116.333 | 121.4 Ų | 121.4 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | -133.6 | 171.2 | -122.9 | 41.8 | -27.5 | 0 | 0 | 0 | 115.8 | |||||
| 752 | S | 36.2 | Very low | 36.9 | Very low | 116.667 Ų | 116.667 | 121.9 Ų | 121.9 | 82% | 0.816 | 74% | 0.738 | S | S | * | * | trans | -58.3 | 161.8 | 151 | -62.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 753 | P | 40.8 | Very low | 37.3 | Very low | 131.333 Ų | 131.333 | 123.5 Ų | 123.5 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | trans | -138.4 | 171.5 | -151.7 | 37.6 | -21.2 | 0 | 0 | 0 | 116.3 | ||||
| 754 | G | 39 | Very low | 37.5 | Very low | 79 Ų | 79 | 124.5 Ų | 124.5 | 81% | 0.814 | 75% | 0.749 | S | S | * | * | trans | 175.8 | 125.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 755 | Q | 37.1 | Very low | 37.6 | Very low | 187 Ų | 187 | 126.7 Ų | 126.7 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | -71.9 | 161.4 | 179 | -69.8 | 166.2 | -15.6 | 0 | 0 | 114 | ||||
| 756 | S | 38.2 | Very low | 37.6 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | cis | -171.1 | 166.2 | 17.7 | 46.2 | 0 | 0 | 0 | 0 | 113 | N777 K778 | S756-N777 CarbonylContact C-O 3.52Å; S756-N777 CarbonylContact O-C 2.96Å; S756-K778 PolarHBondContact O-N 2.92Å; S756-K778 VanDerWaalsContact O-N 3.08Å | ||
| 757 | H | 39.9 | Very low | 37.7 | Very low | 137.333 Ų | 137.333 | 130.2 Ų | 130.2 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | -164.3 | 142.8 | 167.3 | -87 | -54.7 | 0 | 0 | 0 | 117.5 | E776 N777 K778 | H757-E776 HydrophobicContact CB-CB 3.69Å; H757-E776 HydrophobicContact CB-CG 4.14Å; H757-E776 WeakPolarHBondContact ND1-CB 3.46Å; H757-N777 CarbonylContact C-O 3.57Å; H757-N777 WeakPolarHBondContact CA-O 3.34Å; H757-K778 VanDerWaalsContact O-CB 3.27Å; H757-K778 WeakPolarHBondContact O-CB 3.42Å; H757-K778 PolarHBondContact O-N 3.27Å | ||
| 758 | L | 38.1 | Very low | 37.4 | Very low | 127.333 Ų | 127.333 | 133.4 Ų | 133.4 | 67% | 0.667 | 75% | 0.75 | S | S | * | * | trans | 98.7 | 141.1 | 137.5 | -68 | 173.1 | 0 | 0 | 0 | 119 | E776 N777 K778 | L758-E776 VanDerWaalsContact C-OE1 3.27Å; L758-E776 VanDerWaalsContact CA-CG 3.46Å; L758-E776 WeakPolarHBondContact CA-OE1 3.23Å; L758-N777 VanDerWaalsContact N-N 3.19Å; L758-N777 PolarHBondContact O-ND2 3.23Å; L758-K778 HydrophobicContact CB-CB 3.92Å; L758-K778 HydrophobicContact CB-CD 3.49Å; L758-K778 VanDerWaalsContact CB-CD 3.49Å; L758-K778 HydrophobicContact CB-CG 4.33Å | ||
| 759 | K | 37 | Very low | 37.2 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 63% | 0.626 | 74% | 0.742 | S | S | * | * | cis | -127.5 | 142.9 | -22.1 | -130.8 | 149.4 | 173.1 | -178.5 | 0 | 112 | R775 E776 K778 | K759-R775 HydrophobicContact CD-CG 4.02Å; K759-R775 VanDerWaalsContact CE-CZ 3.48Å; K759-R775 HydrophobicContact CG-CG 4.42Å; K759-E776 HydrophobicContact CD-CG 4.09Å; K759-E776 WeakPolarHBondContact CD-OE1 3.35Å; K759-E776 WeakPolarHBondContact CD-OE2 3.35Å; K759-E776 WeakPolarHBondContact CE-OE2 3.31Å; K759-E776 PolarHBondContact N-OE1 2.99Å; K759-E776 IonicContact NZ-OE1 3.17Å; K759-E776 IonicContact NZ-OE2 3.79Å; K759-E776 PolarHBondContact NZ-OE2 3.48Å; K759-K778 PolarHBondContact O-NZ 3.46Å | ||
| 760 | V | 36.1 | Very low | 37.1 | Very low | 119.667 Ų | 119.667 | 130 Ų | 130 | 73% | 0.725 | 74% | 0.744 | S | S | * | * | 91.9 | 144.5 | 99.8 | 166.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 761 | T | 39.1 | Very low | 36.8 | Very low | 106 Ų | 106 | 127 Ų | 127 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | cis | -177.4 | 179.8 | 24 | -2.5 | 0 | 0 | 0 | 0 | 113.3 | R775 | T761-R775 VanDerWaalsContact CG2-NH2 3.29Å; T761-R775 PolarHBondContact OG1-NH2 3.38Å | ||
| 762 | S | 36.3 | Very low | 36.5 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | cis | -153.9 | 172 | -40.8 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 763 | P | 40.9 | Very low | 36.3 | Very low | 117.333 Ų | 117.333 | 129.4 Ų | 129.4 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | trans | -119.4 | -178.3 | -155.5 | 41.6 | -28.4 | 0 | 0 | 0 | 116.2 | ||||
| 764 | V | 37.3 | Very low | 35.9 | Very low | 135.667 Ų | 135.667 | 131 Ų | 131 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | trans | 170.6 | 150.1 | 167 | 166.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 765 | R | 34.3 | Very low | 35.7 | Very low | 209.667 Ų | 209.667 | 136 Ų | 136 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | cis | -171.8 | 156.8 | -32.5 | -172.9 | 172.5 | -83.1 | -174.5 | -4.3 | 109.5 | ||||
| 766 | M | 36.8 | Very low | 35.6 | Very low | 150.667 Ų | 150.667 | 132.7 Ų | 132.7 | 74% | 0.742 | 69% | 0.69 | S | S | * | * | trans | 62.2 | 141.2 | 164.4 | -50.2 | -68.3 | -134.1 | 0 | 0 | 117.2 | ||||
| 767 | H | 35.2 | Very low | 35.4 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 68% | 0.676 | 69% | 0.688 | S | S | * | * | cis | 173.3 | 153.2 | -1.9 | -80.5 | -68.3 | 0 | 0 | 0 | 110.8 | R740 | R740-H767 PolarHBondContact NE-CE1 3.21Å; R740-H767 VanDerWaalsContact NE-CE1 3.25Å; R740-H767 PolarHBondContact NE-NE2 3.22Å; R740-H767 PolarHBondContact NH2-CE1 3.39Å; R740-H767 VanDerWaalsContact NH2-CE1 3.34Å; R740-H767 PolarHBondContact NH2-NE2 2.82Å | ||
| 768 | K | 34.3 | Very low | 35.3 | Very low | 193 Ų | 193 | 134.7 Ų | 134.7 | 84% | 0.839 | 69% | 0.691 | S | S | * | * | cis | -175.6 | 159.4 | 37.8 | -124 | 174.6 | -177.5 | 179.7 | 0 | 111.9 | ||||
| 769 | S | 31.1 | Very low | 35.2 | Very low | 97.6667 Ų | 97.6667 | 138.3 Ų | 138.3 | 68% | 0.683 | 70% | 0.701 | S | S | * | * | trans | -81.8 | 151 | -165.6 | -52.2 | 0 | 0 | 0 | 0 | 115.7 | V745 | V745-S769 WeakPolarHBondContact CG1-OG 3.27Š| ||
| 770 | A | 34 | Very low | 35.1 | Very low | 83 Ų | 83 | 134.8 Ų | 134.8 | 69% | 0.686 | 71% | 0.706 | S | S | * | * | 131.9 | 121.2 | 116.2 | 0 | 0 | 0 | 0 | 0 | 116 | E744 | E744-A770 WeakPolarHBondContact OE2-CA 3.36Å; E744-A770 PolarHBondContact OE2-N 3.33Å | |||
| 771 | S | 31.8 | Very low | 35.1 | Very low | 72 Ų | 72 | 134.9 Ų | 134.9 | 50% | 0.503 | 71% | 0.707 | S | S | . | * | 46.4 | 135 | 104.5 | 66.9 | 0 | 0 | 0 | 0 | 119.1 | C743 E744 | C743-S771 WeakPolarHBondContact O-CB 3.2Å; C743-S771 PolarHBondContact O-OG 3.2Å; E744-S771 PolarHBondContact OE2-N 3.19Å | |||
| 772 | F | 32.1 | Very low | 34.9 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 76% | 0.763 | 71% | 0.711 | S | S | * | * | 153.6 | 138 | 120.3 | -92.3 | -71.8 | 0 | 0 | 0 | 115.9 | |||||
| 773 | L | 31.9 | Very low | 34.8 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 58% | 0.576 | 71% | 0.713 | S | S | * | * | trans | -41.8 | 133.5 | 146.7 | -74.4 | 162.6 | 0 | 0 | 0 | 116.7 | S742 | S742-L773 WeakPolarHBondContact OG-CD2 3.49Š| ||
| 774 | K | 33.7 | Very low | 34.6 | Very low | 165.333 Ų | 165.333 | 141.8 Ų | 141.8 | 72% | 0.719 | 71% | 0.709 | S | S | * | * | 80.9 | 126 | 101.8 | -143.9 | -178.2 | -177.3 | 169.5 | 0 | 113.1 | |||||
| 775 | R | 34.7 | Very low | 34.5 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 69% | 0.691 | 70% | 0.699 | S | S | * | * | -178.8 | 151.2 | 102.9 | -138.9 | 159.5 | -177.4 | 178.8 | 0.1 | 109.5 | K759 T761 | K759-R775 HydrophobicContact CD-CG 4.02Å; K759-R775 VanDerWaalsContact CE-CZ 3.48Å; K759-R775 HydrophobicContact CG-CG 4.42Å; T761-R775 VanDerWaalsContact CG2-NH2 3.29Å; T761-R775 PolarHBondContact OG1-NH2 3.38Å | |||
| 776 | E | 34.2 | Very low | 34.5 | Very low | 118.333 Ų | 118.333 | 139 Ų | 139 | 55% | 0.553 | 70% | 0.7 | S | S | * | * | trans | -179.4 | 158.5 | 137.6 | -73.6 | 158.5 | 107.2 | 0 | 0 | 113.8 | H757 L758 K759 | H757-E776 HydrophobicContact CB-CB 3.69Å; H757-E776 HydrophobicContact CB-CG 4.14Å; H757-E776 WeakPolarHBondContact ND1-CB 3.46Å; L758-E776 VanDerWaalsContact C-OE1 3.27Å; L758-E776 VanDerWaalsContact CA-CG 3.46Å; L758-E776 WeakPolarHBondContact CA-OE1 3.23Å; K759-E776 HydrophobicContact CD-CG 4.09Å; K759-E776 WeakPolarHBondContact CD-OE1 3.35Å; K759-E776 WeakPolarHBondContact CD-OE2 3.35Å; K759-E776 WeakPolarHBondContact CE-OE2 3.31Å; K759-E776 PolarHBondContact N-OE1 2.99Å; K759-E776 IonicContact NZ-OE1 3.17Å; K759-E776 IonicContact NZ-OE2 3.79Å; K759-E776 PolarHBondContact NZ-OE2 3.48Å | ||
| 777 | N | 34.9 | Very low | 34.4 | Very low | 115.333 Ų | 115.333 | 140.1 Ų | 140.1 | 62% | 0.617 | 70% | 0.701 | S | S | * | * | trans | -164.6 | 156.4 | 133.4 | -85.7 | -61.9 | 0 | 0 | 0 | 113 | S756 H757 L758 | S756-N777 CarbonylContact C-O 3.52Å; S756-N777 CarbonylContact O-C 2.96Å; H757-N777 CarbonylContact C-O 3.57Å; H757-N777 WeakPolarHBondContact CA-O 3.34Å; L758-N777 VanDerWaalsContact N-N 3.19Å; L758-N777 PolarHBondContact O-ND2 3.23Å | ||
| 778 | K | 38.3 | Very low | 34.3 | Very low | 157.667 Ų | 157.667 | 138.5 Ų | 138.5 | 69% | 0.686 | 70% | 0.702 | S | S | * | * | 171.2 | 112.6 | 97 | -108 | 164.3 | -174.3 | 160.3 | 0 | 119 | S756 H757 L758 K759 | S756-K778 PolarHBondContact O-N 2.92Å; S756-K778 VanDerWaalsContact O-N 3.08Å; H757-K778 VanDerWaalsContact O-CB 3.27Å; H757-K778 WeakPolarHBondContact O-CB 3.42Å; H757-K778 PolarHBondContact O-N 3.27Å; L758-K778 HydrophobicContact CB-CB 3.92Å; L758-K778 HydrophobicContact CB-CD 3.49Å; L758-K778 VanDerWaalsContact CB-CD 3.49Å; L758-K778 HydrophobicContact CB-CG 4.33Å; K759-K778 PolarHBondContact O-NZ 3.46Å | |||
| 779 | K | 36 | Very low | 34.2 | Very low | 201.333 Ų | 201.333 | 136.4 Ų | 136.4 | 88% | 0.875 | 70% | 0.695 | S | S | * | * | trans | 65.6 | 141.3 | 155.7 | -56.6 | 170.8 | 176.3 | -174.8 | 0 | 117.8 | ||||
| 780 | G | 34.1 | Very low | 34.3 | Very low | 71.3333 Ų | 71.3333 | 141.5 Ų | 141.5 | 74% | 0.735 | 70% | 0.699 | S | S | * | * | trans | 162.6 | 161.1 | 139.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 781 | T | 35.5 | Very low | 34 | Very low | 121.667 Ų | 121.667 | 144.6 Ų | 144.6 | 75% | 0.746 | 70% | 0.699 | S | S | * | * | 113.2 | 138.4 | 79.9 | -58.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 782 | Q | 36.3 | Very low | 34.1 | Very low | 155.667 Ų | 155.667 | 146.1 Ų | 146.1 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | trans | 67.5 | 145 | 161.8 | -63.1 | -174.5 | 55.8 | 0 | 0 | 117.1 | ||||
| 783 | R | 34.3 | Very low | 34.1 | Very low | 206 Ų | 206 | 146.5 Ų | 146.5 | 78% | 0.777 | 71% | 0.714 | S | S | * | * | cis | 164.4 | 159.7 | 31.4 | -113.2 | -178.9 | 172.5 | 169.4 | -8.7 | 109.5 | ||||
| 784 | T | 36 | Very low | 34.1 | Very low | 111.333 Ų | 111.333 | 145 Ų | 145 | 68% | 0.683 | 73% | 0.725 | S | S | * | * | cis | 171.6 | 161.3 | 32.1 | 17.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 785 | T | 34.6 | Very low | 34.1 | Very low | 99 Ų | 99 | 145.9 Ų | 145.9 | 61% | 0.607 | 73% | 0.729 | S | S | * | * | cis | -145.6 | 157.7 | -34.2 | 32.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 786 | F | 35.3 | Very low | 34 | Very low | 187.333 Ų | 187.333 | 145.4 Ų | 145.4 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | trans | 104.5 | 151.1 | 149 | -70.8 | -52.2 | 0 | 0 | 0 | 115.7 | ||||
| 787 | K | 35 | Very low | 34 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | cis | -139.5 | 127.9 | -23.3 | -136.7 | -172.8 | 175.7 | -172.6 | 0 | 107 | ||||
| 788 | T | 33.2 | Very low | 33.8 | Very low | 113.333 Ų | 113.333 | 143.5 Ų | 143.5 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | 115.7 | 125.7 | 112.2 | -58.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 789 | E | 31.3 | Very low | 33.5 | Very low | 147.667 Ų | 147.667 | 143.6 Ų | 143.6 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | -153.8 | 148.5 | 128.6 | -148.5 | 170.9 | -172.3 | 0 | 0 | 116.3 | |||||
| 790 | R | 33 | Very low | 33.1 | Very low | 205.333 Ų | 205.333 | 139.1 Ų | 139.1 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | trans | 68 | 148.8 | 149.9 | -83.7 | 177.4 | -159.2 | 151 | 11.2 | 118.9 | ||||
| 791 | E | 28.7 | Very low | 32.8 | Very low | 147.667 Ų | 147.667 | 140.2 Ų | 140.2 | 69% | 0.69 | 76% | 0.758 | S | S | * | * | cis | -160.9 | 163.6 | -30.4 | -118.8 | 163.1 | -166.2 | 0 | 0 | 109.2 | ||||
| 792 | S | 34 | Very low | 32.6 | Very low | 104.333 Ų | 104.333 | 139 Ų | 139 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | trans | 170.4 | 139.1 | 150.9 | 38.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 793 | Q | 31.3 | Very low | 32.2 | Very low | 182.667 Ų | 182.667 | 137.6 Ų | 137.6 | 85% | 0.854 | 76% | 0.762 | S | S | * | * | trans | 10.6 | 132.8 | 160.3 | -63.4 | 175.8 | -17.1 | 0 | 0 | 119 | ||||
| 794 | G | 32.4 | Very low | 32.1 | Very low | 77.3333 Ų | 77.3333 | 135 Ų | 135 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | 166 | 90 | 154.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 795 | K | 34.1 | Very low | 31.9 | Very low | 184 Ų | 184 | 136 Ų | 136 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | -73.1 | 151.1 | 168 | -88.4 | 170.4 | 162.3 | -107.8 | 0 | 114.9 | ||||
| 796 | E | 30.8 | Very low | 31.7 | Very low | 172.667 Ų | 172.667 | 137.4 Ų | 137.4 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | trans | -89.5 | 140.4 | 147.8 | -78.6 | 157.6 | 148.6 | 0 | 0 | 114.3 | ||||
| 797 | G | 34.6 | Very low | 31.5 | Very low | 76.6667 Ų | 76.6667 | 133.4 Ų | 133.4 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | 151.2 | 127.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I799 | G797-I799 PolarHBondContact O-N 2.94Š| ||
| 798 | S | 31.7 | Very low | 31.3 | Very low | 116.667 Ų | 116.667 | 133.2 Ų | 133.2 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | trans | -123.1 | 145.9 | -160.7 | 172.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 799 | I | 31.5 | Very low | 31.1 | Very low | 159.667 Ų | 159.667 | 133.4 Ų | 133.4 | 82% | 0.819 | 76% | 0.763 | S | S | * | * | trans | 103.2 | 127.4 | 160.5 | -59.7 | 172.9 | 0 | 0 | 0 | 114.3 | G797 | G797-I799 PolarHBondContact O-N 2.94Š| ||
| 800 | S | 27.2 | Very low | 31.1 | Very low | 107.667 Ų | 107.667 | 133.2 Ų | 133.2 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | -100.8 | 167.7 | 177.3 | 60.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 801 | A | 28.4 | Very low | 31.1 | Very low | 94.5 Ų | 94.5 | 130.9 Ų | 130.9 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | 68.5 | 125.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V803 | A801-V803 PolarHBondContact O-N 2.98Š| ||
| 802 | A | 30.1 | Very low | 31.1 | Very low | 97.25 Ų | 97.25 | 128.5 Ų | 128.5 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -101.6 | 122.1 | 153.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | N804 | A802-N804 PolarHBondContact O-N 2.87Š| ||
| 803 | V | 29.5 | Very low | 30.9 | Very low | 124.75 Ų | 124.75 | 129.6 Ų | 129.6 | 76% | 0.756 | 77% | 0.765 | S | S | * | * | trans | -66.6 | 119.9 | 148.6 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | A801 | A801-V803 PolarHBondContact O-N 2.98Š| ||
| 804 | N | 32.2 | Very low | 31 | Very low | 151.75 Ų | 151.75 | 127.5 Ų | 127.5 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | trans | -160.5 | 134.2 | 154.6 | -95.4 | -6.9 | 0 | 0 | 0 | 113.9 | A802 C806 | A802-N804 PolarHBondContact O-N 2.87Å; N804-C806 PolarHBondContact O-N 3.06Å; N804-C806 VanDerWaalsContact O-N 3.1Å | ||
| 805 | D | 31 | Very low | 30.9 | Very low | 133.25 Ų | 133.25 | 128.6 Ų | 128.6 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | -45.9 | 135.5 | 172.6 | -61.5 | -51.6 | 0 | 0 | 0 | 115.4 | T807 | D805-T807 HydrophobicContact CB-CG2 4.29Š| ||
| 806 | C | 31.5 | Very low | 30.9 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 86% | 0.858 | 76% | 0.755 | S | S | * | * | trans | -145.8 | 90.5 | 148.8 | -95.5 | 0 | 0 | 0 | 0 | 109.8 | N804 K808 | N804-C806 PolarHBondContact O-N 3.06Å; N804-C806 VanDerWaalsContact O-N 3.1Å; C806-K808 PolarHBondContact O-N 3.43Å | ||
| 807 | T | 29.4 | Very low | 30.9 | Very low | 104 Ų | 104 | 124.1 Ų | 124.1 | 64% | 0.638 | 75% | 0.753 | S | S | * | * | trans | -74 | 132 | 152.8 | 51.4 | 0 | 0 | 0 | 0 | 112 | D805 | D805-T807 HydrophobicContact CB-CG2 4.29Š| ||
| 808 | K | 31.3 | Very low | 30.6 | Very low | 168 Ų | 168 | 125.6 Ų | 125.6 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | trans | 115.1 | 133.9 | 156.9 | -77 | 169 | 179.9 | 178.8 | 0 | 112.7 | C806 I810 D1262 | C806-K808 PolarHBondContact O-N 3.43Å; K808-I810 PolarHBondContact O-N 3.32Å; K808-D1262 WeakPolarHBondContact CD-OD1 3.28Å; K808-D1262 VanDerWaalsContact CE-OD1 3.31Å; K808-D1262 WeakPolarHBondContact CE-OD1 3.46Å; K808-D1262 IonicContact NZ-OD1 2.67Å; K808-D1262 PolarHBondContact NZ-OD1 2.89Å | ||
| 809 | L | 29.2 | Very low | 30.6 | Very low | 118 Ų | 118 | 127.8 Ų | 127.8 | 62% | 0.618 | 75% | 0.753 | S | S | * | * | 38 | 118.3 | 117.7 | -83.9 | 149 | 0 | 0 | 0 | 113.3 | H811 N1038 D1262 | L809-H811 HydrophobicContact CD2-CB 4.19Å; L809-H811 VanDerWaalsContact CD2-NE2 3.26Å; L809-H811 WeakPolarHBondContact CD2-NE2 3.48Å; L809-N1038 WeakPolarHBondContact CD2-OD1 3.29Å; L809-N1038 WeakPolarHBondContact CG-OD1 3.15Å; L809-D1262 HydrophobicContact CD2-CB 4.12Å; L809-D1262 WeakPolarHBondContact CD2-OD2 3.47Å; L809-D1262 HydrophobicContact CG-CB 4.42Å | |||
| 810 | I | 31.5 | Very low | 30.4 | Very low | 144.75 Ų | 144.75 | 125.4 Ų | 125.4 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | -127.4 | 128 | 129.6 | -61.8 | 150.9 | 0 | 0 | 0 | 110.9 | K808 S812 | K808-I810 PolarHBondContact O-N 3.32Å; I810-S812 PolarHBondContact O-N 3.49Å | |||
| 811 | H | 32.8 | Very low | 30.8 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -105.3 | 125 | 156.2 | -85.1 | -71.4 | 0 | 0 | 0 | 114 | L809 T813 | L809-H811 HydrophobicContact CD2-CB 4.19Å; L809-H811 VanDerWaalsContact CD2-NE2 3.26Å; L809-H811 WeakPolarHBondContact CD2-NE2 3.48Å; H811-T813 PolarHBondContact O-N 3.45Å | ||
| 812 | S | 29.7 | Very low | 30.8 | Very low | 96.75 Ų | 96.75 | 128.3 Ų | 128.3 | 68% | 0.677 | 76% | 0.757 | S | S | * | * | trans | 1.3 | 137.1 | 136.8 | -33.9 | 0 | 0 | 0 | 0 | 114.3 | I810 D814 | I810-S812 PolarHBondContact O-N 3.49Å; S812-D814 VanDerWaalsContact C-N 3.33Å; S812-D814 PolarHBondContact O-N 2.86Å | ||
| 813 | T | 29.4 | Very low | 30.8 | Very low | 127.25 Ų | 127.25 | 128.6 Ų | 128.6 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | trans | 48.2 | 138.9 | 161.8 | 75.9 | 0 | 0 | 0 | 0 | 111 | H811 S815 | H811-T813 PolarHBondContact O-N 3.45Å; T813-S815 PolarHBondContact O-N 3.26Å | ||
| 814 | D | 33.8 | Very low | 30.8 | Very low | 139.25 Ų | 139.25 | 128.5 Ų | 128.5 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | cis | -106.7 | 145.6 | 24.7 | -69.1 | -48.7 | 0 | 0 | 0 | 111.5 | S812 D816 | S812-D814 VanDerWaalsContact C-N 3.33Å; S812-D814 PolarHBondContact O-N 2.86Å; D814-D816 VanDerWaalsContact C-N 3.27Å; D814-D816 PolarHBondContact O-N 3.43Å | ||
| 815 | S | 30.2 | Very low | 30.5 | Very low | 99.5 Ų | 99.5 | 128.4 Ų | 128.4 | 70% | 0.696 | 75% | 0.751 | S | S | * | * | trans | -75.2 | 146.7 | 143.3 | 75.2 | 0 | 0 | 0 | 0 | 110.2 | T813 C817 | T813-S815 PolarHBondContact O-N 3.26Å; S815-C817 PolarHBondContact O-N 2.8Å; S815-C817 VanDerWaalsContact O-N 3.07Å | ||
| 816 | D | 33.4 | Very low | 30.4 | Very low | 148 Ų | 148 | 129.7 Ų | 129.7 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | -131.8 | 147.7 | 148.8 | -97.9 | -25.8 | 0 | 0 | 0 | 113.7 | D814 S818 | D814-D816 VanDerWaalsContact C-N 3.27Å; D814-D816 PolarHBondContact O-N 3.43Å; D816-S818 PolarHBondContact O-N 2.52Å | ||
| 817 | C | 30.4 | Very low | 30.3 | Very low | 113.75 Ų | 113.75 | 128.4 Ų | 128.4 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | -140.5 | 116.1 | -171.5 | -83 | 0 | 0 | 0 | 0 | 111.6 | S815 L819 | S815-C817 PolarHBondContact O-N 2.8Å; S815-C817 VanDerWaalsContact O-N 3.07Å; C817-L819 PolarHBondContact O-N 3.1Å | ||
| 818 | S | 29.3 | Very low | 30.3 | Very low | 108.5 Ų | 108.5 | 128 Ų | 128 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | trans | -44 | 142.3 | 165.5 | 61.7 | 0 | 0 | 0 | 0 | 113.7 | D816 S820 | D816-S818 PolarHBondContact O-N 2.52Å; S818-S820 PolarHBondContact O-N 3.08Å | ||
| 819 | L | 31.1 | Very low | 30.3 | Very low | 163 Ų | 163 | 125.9 Ų | 125.9 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | trans | -130 | 127.6 | 153 | -73.9 | 172.3 | 0 | 0 | 0 | 111.6 | C817 P821 | C817-L819 PolarHBondContact O-N 3.1Å; L819-P821 WeakPolarHBondContact O-CD 3.45Å | ||
| 820 | S | 26.2 | Very low | 30.2 | Very low | 110.5 Ų | 110.5 | 127.1 Ų | 127.1 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | -72.5 | 141.5 | 151.1 | -38.1 | 0 | 0 | 0 | 0 | 111.5 | S818 | S818-S820 PolarHBondContact O-N 3.08Š| ||
| 821 | P | 35.9 | Very low | 30.2 | Very low | 124.25 Ų | 124.25 | 125.3 Ų | 125.3 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | trans | -102.1 | 143.5 | 173.7 | 35.1 | -30.7 | 0 | 0 | 0 | 112.9 | L819 S823 | L819-P821 WeakPolarHBondContact O-CD 3.45Å; P821-S823 PolarHBondContact O-N 2.93Å | ||
| 822 | T | 29.2 | Very low | 30.1 | Very low | 138.25 Ų | 138.25 | 125.9 Ų | 125.9 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | -109.8 | 137.1 | 167.9 | 40.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 823 | S | 29.1 | Very low | 30.1 | Very low | 103.75 Ų | 103.75 | 126.6 Ų | 126.6 | 73% | 0.726 | 76% | 0.762 | S | S | * | * | trans | -85 | 135.3 | 168.3 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | P821 | P821-S823 PolarHBondContact O-N 2.93Š| ||
| 824 | T | 29.4 | Very low | 30.2 | Very low | 122.5 Ų | 122.5 | 126.3 Ų | 126.3 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | -179.2 | 110.3 | 132.7 | -63.2 | 0 | 0 | 0 | 0 | 112.1 | L826 | T824-L826 PolarHBondContact O-N 3.18Š| ||
| 825 | I | 27.2 | Very low | 30 | Very low | 149 Ų | 149 | 124.9 Ų | 124.9 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | 32.2 | 109.9 | 124.7 | -56.8 | 173.9 | 0 | 0 | 0 | 116.7 | |||||
| 826 | L | 28.9 | Very low | 30.1 | Very low | 160 Ų | 160 | 128.1 Ų | 128.1 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | 140.7 | 138 | 145.5 | -91.5 | 143.7 | 0 | 0 | 0 | 115.5 | T824 | T824-L826 PolarHBondContact O-N 3.18Š| ||
| 827 | S | 29.6 | Very low | 30 | Very low | 100 Ų | 100 | 125.9 Ų | 125.9 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | 42.8 | 146.8 | 161.9 | 59.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 828 | S | 28.5 | Very low | 29.9 | Very low | 95 Ų | 95 | 125.3 Ų | 125.3 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | 0.6 | 136.5 | 88.5 | 56.8 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 829 | V | 30.9 | Very low | 30.2 | Very low | 124.5 Ų | 124.5 | 125.8 Ų | 125.8 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | 156 | 126.3 | 135 | -179.8 | 0 | 0 | 0 | 0 | 114.3 | S831 | V829-S831 PolarHBondContact O-N 3.32Š| ||
| 830 | Q | 28.2 | Very low | 30.5 | Very low | 144.5 Ų | 144.5 | 123 Ų | 123 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | trans | 154.6 | 110.4 | 171.4 | -155.5 | 172.7 | -9.5 | 0 | 0 | 112.9 | H832 | Q830-H832 PolarHBondContact NE2-CD2 2.98Å; Q830-H832 VanDerWaalsContact NE2-CD2 3.35Å; Q830-H832 PolarHBondContact NE2-NE2 3.19Å | ||
| 831 | S | 30.3 | Very low | 30.8 | Very low | 105.25 Ų | 105.25 | 122.8 Ų | 122.8 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | -161.1 | 119.3 | 146.8 | 59.7 | 0 | 0 | 0 | 0 | 111.1 | V829 | V829-S831 PolarHBondContact O-N 3.32Š| ||
| 832 | H | 30.3 | Very low | 30.6 | Very low | 169.5 Ų | 169.5 | 124.5 Ų | 124.5 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | -112.2 | 141.3 | 172.5 | -80.3 | -74.2 | 0 | 0 | 0 | 110.2 | Q830 P834 | Q830-H832 PolarHBondContact NE2-CD2 2.98Å; Q830-H832 VanDerWaalsContact NE2-CD2 3.35Å; Q830-H832 PolarHBondContact NE2-NE2 3.19Å; H832-P834 WeakPolarHBondContact O-CD 3.33Å | ||
| 833 | S | 29.8 | Very low | 30.6 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | -95.1 | 146.6 | 159.7 | 50.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 834 | P | 32.9 | Very low | 30.7 | Very low | 120.75 Ų | 120.75 | 125.5 Ų | 125.5 | 78% | 0.784 | 75% | 0.747 | S | S | * | * | trans | -118.9 | 162.3 | 131.7 | 35.3 | -22 | 0 | 0 | 0 | 113.5 | H832 I836 | H832-P834 WeakPolarHBondContact O-CD 3.33Å; P834-I836 PolarHBondContact O-N 3.34Å | ||
| 835 | S | 29 | Very low | 30.7 | Very low | 110.5 Ų | 110.5 | 126.6 Ų | 126.6 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | -106.8 | 134.7 | 169.1 | 34.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 836 | I | 31.5 | Very low | 30.9 | Very low | 165.75 Ų | 165.75 | 127.1 Ų | 127.1 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | trans | -128.8 | 126.7 | 153 | -72.6 | 167.8 | 0 | 0 | 0 | 110.3 | P834 | P834-I836 PolarHBondContact O-N 3.34Š| ||
| 837 | S | 31.3 | Very low | 31.1 | Very low | 101.75 Ų | 101.75 | 124.5 Ų | 124.5 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | trans | -141.1 | 127.4 | 170.8 | 160.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 838 | S | 30.2 | Very low | 31.1 | Very low | 101.5 Ų | 101.5 | 124.3 Ų | 124.3 | 71% | 0.71 | 74% | 0.739 | S | S | * | * | trans | -136.7 | 110.6 | 159.3 | 48.5 | 0 | 0 | 0 | 0 | 112.8 | R1123 | S838-R1123 PolarHBondContact OG-NH2 3.3Š| ||
| 839 | V | 35.2 | Very low | 31.2 | Very low | 120.25 Ų | 120.25 | 125.3 Ų | 125.3 | 73% | 0.729 | 74% | 0.743 | S | S | * | * | trans | -44.2 | 139.3 | 132.8 | -170.1 | 0 | 0 | 0 | 0 | 112.1 | P841 | V839-P841 WeakPolarHBondContact O-CD 3.32Š| ||
| 840 | P | 36 | Very low | 31.3 | Very low | 103 Ų | 103 | 125.1 Ų | 125.1 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | trans | -122 | 154.6 | 149.1 | 36.7 | -26.5 | 0 | 0 | 0 | 113.6 | ||||
| 841 | P | 32.4 | Very low | 31.4 | Very low | 107 Ų | 107 | 124.5 Ų | 124.5 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | trans | -104.5 | 145.7 | 164.1 | 36.4 | -28.8 | 0 | 0 | 0 | 111.8 | V839 | V839-P841 WeakPolarHBondContact O-CD 3.32Š| ||
| 842 | I | 33.1 | Very low | 31.3 | Very low | 159.25 Ų | 159.25 | 126.5 Ų | 126.5 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | trans | -146.5 | 121.7 | 143.2 | -63.9 | 176.3 | 0 | 0 | 0 | 110 | ||||
| 843 | N | 29.8 | Very low | 31.2 | Very low | 138.5 Ų | 138.5 | 123.5 Ų | 123.5 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | trans | -26.7 | 144.4 | 166.8 | -69.6 | -19.3 | 0 | 0 | 0 | 114.8 | L845 | N843-L845 HydrophobicContact CB-CD1 4.13Š| ||
| 844 | T | 30.3 | Very low | 31.2 | Very low | 125.25 Ų | 125.25 | 128.9 Ų | 128.9 | 77% | 0.768 | 75% | 0.754 | S | S | * | * | -166.7 | 140.2 | 91.6 | -32.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 845 | L | 29.8 | Very low | 30.9 | Very low | 146.25 Ų | 146.25 | 131.6 Ų | 131.6 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | trans | -55.8 | 142.1 | 175.4 | -72.4 | 75 | 0 | 0 | 0 | 115.7 | N843 | N843-L845 HydrophobicContact CB-CD1 4.13Š| ||
| 846 | Q | 31.1 | Very low | 31 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | -140.1 | 136.3 | 128 | -130.6 | -173.3 | -54.9 | 0 | 0 | 112.7 | F470 N472 | F470-Q846 HydrophobicContact CD1-CB 4.22Å; F470-Q846 HydrophobicContact CD1-CG 3.98Å; F470-Q846 HydrophobicContact CE1-CB 3.59Å; F470-Q846 HydrophobicContact CE1-CG 3.3Å; F470-Q846 HydrophobicContact CZ-CB 4.34Å; F470-Q846 HydrophobicContact CZ-CG 3.63Å; N472-Q846 PolarHBondContact ND2-O 3.24Å | |||
| 847 | P | 32.1 | Very low | 30.8 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | trans | -107.2 | 162.1 | 171.1 | 34.8 | -27.1 | 0 | 0 | 0 | 113.6 | ||||
| 848 | S | 29.6 | Very low | 30.8 | Very low | 97.75 Ų | 97.75 | 134.2 Ų | 134.2 | 68% | 0.684 | 75% | 0.746 | S | S | * | * | trans | 4.9 | 145.9 | 156.5 | 38.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 849 | P | 31.5 | Very low | 30.8 | Very low | 115.5 Ų | 115.5 | 133.9 Ų | 133.9 | 75% | 0.75 | 74% | 0.744 | S | S | * | * | trans | -106 | 160.5 | 145 | 33.3 | -25.2 | 0 | 0 | 0 | 114 | ||||
| 850 | P | 33 | Very low | 30.5 | Very low | 119.5 Ų | 119.5 | 134.5 Ų | 134.5 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | -91.8 | 160.7 | 180 | 36.4 | -34 | 0 | 0 | 0 | 113.4 | L852 | P850-L852 PolarHBondContact O-N 3.26Å; P850-L852 VanDerWaalsContact O-N 3.08Å | ||
| 851 | V | 30 | Very low | 30.4 | Very low | 132.25 Ų | 132.25 | 134.9 Ų | 134.9 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | trans | -108.6 | 127.8 | 167.9 | 165.3 | 0 | 0 | 0 | 0 | 112.9 | S853 | V851-S853 PolarHBondContact O-N 2.86Š| ||
| 852 | L | 28.9 | Very low | 30.2 | Very low | 146.5 Ų | 146.5 | 136.7 Ų | 136.7 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | trans | -16.1 | 137.1 | 153.4 | -78.9 | 166.2 | 0 | 0 | 0 | 116.3 | P850 Y854 | P850-L852 PolarHBondContact O-N 3.26Å; P850-L852 VanDerWaalsContact O-N 3.08Å; L852-Y854 PolarHBondContact O-N 3.34Å | ||
| 853 | S | 27.3 | Very low | 30 | Very low | 107.25 Ų | 107.25 | 134 Ų | 134 | 75% | 0.75 | 75% | 0.751 | S | S | * | * | trans | -82.8 | 136.4 | 158.7 | 49.2 | 0 | 0 | 0 | 0 | 112.5 | V851 Q855 | V851-S853 PolarHBondContact O-N 2.86Å; S853-Q855 PolarHBondContact O-N 3.28Å; S853-Q855 VanDerWaalsContact O-N 3.09Å | ||
| 854 | Y | 29.2 | Very low | 30.1 | Very low | 224.75 Ų | 224.75 | 135.1 Ų | 135.1 | 88% | 0.881 | 75% | 0.752 | S | S | * | * | trans | -103 | 133.4 | 162.4 | -85.6 | -88.6 | 0 | 0 | 0 | 110.6 | L852 | L852-Y854 PolarHBondContact O-N 3.34Š| ||
| 855 | Q | 28.5 | Very low | 30.1 | Very low | 178.25 Ų | 178.25 | 133.5 Ų | 133.5 | 83% | 0.833 | 75% | 0.745 | S | S | * | * | trans | -116.3 | 133.9 | 165.2 | -170 | 173.2 | 13.1 | 0 | 0 | 110 | S853 I857 | S853-Q855 PolarHBondContact O-N 3.28Å; S853-Q855 VanDerWaalsContact O-N 3.09Å; Q855-I857 HydrophobicContact CG-CD1 4Å; Q855-I857 HydrophobicContact CG-CG1 4.31Å; Q855-I857 PolarHBondContact O-N 3.42Å; Q855-I857 VanDerWaalsContact O-N 3.08Å | ||
| 856 | K | 29.2 | Very low | 30.2 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | trans | -116.4 | 117.2 | 173.7 | -169.2 | 176.2 | -177.9 | -166.3 | 0 | 109 | D858 | K856-D858 WeakPolarHBondContact CE-OD1 3.25Å; K856-D858 WeakPolarHBondContact CE-OD2 3.45Å; K856-D858 IonicContact NZ-OD1 3.53Å; K856-D858 IonicContact NZ-OD2 3.24Å; K856-D858 PolarHBondContact NZ-OD2 3.24Å; K856-D858 PolarHBondContact O-N 3.23Å | ||
| 857 | I | 29.3 | Very low | 30.1 | Very low | 137.5 Ų | 137.5 | 133.1 Ų | 133.1 | 71% | 0.705 | 74% | 0.744 | S | S | * | * | 97.5 | 101.1 | 108.3 | -66.4 | 165.5 | 0 | 0 | 0 | 109.7 | Q855 S859 | Q855-I857 HydrophobicContact CG-CD1 4Å; Q855-I857 HydrophobicContact CG-CG1 4.31Å; Q855-I857 PolarHBondContact O-N 3.42Å; Q855-I857 VanDerWaalsContact O-N 3.08Å; I857-S859 PolarHBondContact O-N 2.78Å; I857-S859 VanDerWaalsContact O-N 3.15Å | |||
| 858 | D | 29.7 | Very low | 30 | Very low | 122.75 Ų | 122.75 | 133.9 Ų | 133.9 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | trans | -128.4 | 135.6 | 150.9 | -74 | -55 | 0 | 0 | 0 | 109.5 | K856 | K856-D858 WeakPolarHBondContact CE-OD1 3.25Å; K856-D858 WeakPolarHBondContact CE-OD2 3.45Å; K856-D858 IonicContact NZ-OD1 3.53Å; K856-D858 IonicContact NZ-OD2 3.24Å; K856-D858 PolarHBondContact NZ-OD2 3.24Å; K856-D858 PolarHBondContact O-N 3.23Å | ||
| 859 | S | 30.3 | Very low | 30.1 | Very low | 94.75 Ų | 94.75 | 134.7 Ų | 134.7 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | -178.4 | 118.4 | 123.4 | -58.2 | 0 | 0 | 0 | 0 | 110.2 | I857 S861 | I857-S859 PolarHBondContact O-N 2.78Å; I857-S859 VanDerWaalsContact O-N 3.15Å; S859-S861 PolarHBondContact O-N 2.8Å | |||
| 860 | T | 29.5 | Very low | 30 | Very low | 134.25 Ų | 134.25 | 134.8 Ų | 134.8 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | 77.5 | 109.4 | 109.6 | 48.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 861 | S | 32.8 | Very low | 29.9 | Very low | 110.5 Ų | 110.5 | 139.1 Ų | 139.1 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | -174.9 | 118.1 | 146.6 | 54.9 | 0 | 0 | 0 | 0 | 108.9 | S859 C863 | S859-S861 PolarHBondContact O-N 2.8Å; S861-C863 PolarHBondContact O-N 3.41Å | ||
| 862 | N | 28.3 | Very low | 29.8 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | 53.7 | 129.7 | 62.9 | -130.8 | 10.5 | 0 | 0 | 0 | 112.5 | |||||
| 863 | C | 30.1 | Very low | 29.8 | Very low | 104.25 Ų | 104.25 | 141.7 Ų | 141.7 | 70% | 0.704 | 74% | 0.743 | S | S | * | * | -149.5 | 135 | 94.1 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | S861 S865 | S861-C863 PolarHBondContact O-N 3.41Å; C863-S865 VanDerWaalsContact C-N 3.32Å; C863-S865 PolarHBondContact O-N 3.09Å | |||
| 864 | H | 31.3 | Very low | 30 | Very low | 161.25 Ų | 161.25 | 141.2 Ų | 141.2 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | 48.5 | 116.5 | 96.9 | -79.3 | -17.7 | 0 | 0 | 0 | 116.6 | H866 | H864-H866 PolarHBondContact O-N 3.19Š| |||
| 865 | S | 30.9 | Very low | 30 | Very low | 91.25 Ų | 91.25 | 135.7 Ų | 135.7 | 64% | 0.638 | 73% | 0.733 | S | S | * | * | trans | -160.3 | 125 | 150.8 | 36.3 | 0 | 0 | 0 | 0 | 108 | C863 D867 | C863-S865 VanDerWaalsContact C-N 3.32Å; C863-S865 PolarHBondContact O-N 3.09Å; S865-D867 PolarHBondContact O-N 3.06Å; S865-D867 VanDerWaalsContact O-N 3.1Å | ||
| 866 | H | 31.7 | Very low | 29.9 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 69% | 0.694 | 74% | 0.736 | S | S | * | * | 60.1 | 113.9 | 113 | -66.6 | -57.4 | 0 | 0 | 0 | 113.8 | H864 T868 | H864-H866 PolarHBondContact O-N 3.19Å; H866-T868 PolarHBondContact O-N 3.4Å | |||
| 867 | D | 29.3 | Very low | 30 | Very low | 146.5 Ų | 146.5 | 135.3 Ų | 135.3 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | trans | -108.2 | 138 | 145.5 | -71.4 | -56 | 0 | 0 | 0 | 111.3 | S865 T869 | S865-D867 PolarHBondContact O-N 3.06Å; S865-D867 VanDerWaalsContact O-N 3.1Å; D867-T869 HydrophobicContact CB-CG2 4.42Å; D867-T869 PolarHBondContact O-N 3.48Å | ||
| 868 | T | 30.4 | Very low | 29.9 | Very low | 120.75 Ų | 120.75 | 138.7 Ų | 138.7 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | 135.3 | 89.3 | 94.8 | -27.2 | 0 | 0 | 0 | 0 | 111.6 | H866 V870 | H866-T868 PolarHBondContact O-N 3.4Å; T868-V870 PolarHBondContact O-N 3.47Å; T868-V870 VanDerWaalsContact O-N 3.1Å | |||
| 869 | T | 31.2 | Very low | 29.9 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | -115.5 | 126.8 | 129.1 | 46.8 | 0 | 0 | 0 | 0 | 113.3 | D867 Y871 | D867-T869 HydrophobicContact CB-CG2 4.42Å; D867-T869 PolarHBondContact O-N 3.48Å; T869-Y871 VanDerWaalsContact C-N 3.29Å; T869-Y871 PolarHBondContact O-N 3.08Å | |||
| 870 | V | 29.2 | Very low | 29.8 | Very low | 117.75 Ų | 117.75 | 139.2 Ų | 139.2 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | 48.2 | 103.8 | 120.5 | 177.8 | 0 | 0 | 0 | 0 | 114.8 | T868 D872 | T868-V870 PolarHBondContact O-N 3.47Å; T868-V870 VanDerWaalsContact O-N 3.1Å; V870-D872 PolarHBondContact O-N 2.72Å | |||
| 871 | Y | 31 | Very low | 29.7 | Very low | 210.5 Ų | 210.5 | 138.6 Ų | 138.6 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | -152.2 | 121.7 | 126.7 | -106.7 | -76.5 | 0 | 0 | 0 | 108.3 | T869 R873 | T869-Y871 VanDerWaalsContact C-N 3.29Å; T869-Y871 PolarHBondContact O-N 3.08Å; Y871-R873 PolarHBondContact O-N 3.33Å | |||
| 872 | D | 26.7 | Very low | 29.3 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 64% | 0.642 | 75% | 0.747 | S | S | * | * | -9.1 | 121.7 | 122.4 | -162.9 | 26.8 | 0 | 0 | 0 | 110.5 | V870 S874 | V870-D872 PolarHBondContact O-N 2.72Å; D872-S874 PolarHBondContact OD1-N 3.36Å; D872-S874 PolarHBondContact OD1-OG 3.36Å | |||
| 873 | R | 29.9 | Very low | 29.4 | Very low | 214 Ų | 214 | 138.8 Ų | 138.8 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | -145.2 | 127.6 | 88.4 | -156.4 | 174.3 | -117.4 | -179.2 | 1.9 | 111.8 | Y871 S875 | Y871-R873 PolarHBondContact O-N 3.33Å; R873-S875 PolarHBondContact O-N 3.45Å | |||
| 874 | S | 31.1 | Very low | 29.3 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | trans | -68.3 | 124.4 | 157.8 | -14.3 | 0 | 0 | 0 | 0 | 116.1 | D872 R876 | D872-S874 PolarHBondContact OD1-N 3.36Å; D872-S874 PolarHBondContact OD1-OG 3.36Å; S874-R876 PolarHBondContact O-N 3.13Å; S874-R876 VanDerWaalsContact O-N 3.09Å | ||
| 875 | S | 28.8 | Very low | 29.2 | Very low | 108.25 Ų | 108.25 | 139.9 Ų | 139.9 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | trans | 20.9 | 115.2 | 155.4 | 55.8 | 0 | 0 | 0 | 0 | 115.9 | R873 | R873-S875 PolarHBondContact O-N 3.45Š| ||
| 876 | R | 28.3 | Very low | 29.4 | Very low | 234.5 Ų | 234.5 | 141.1 Ų | 141.1 | 89% | 0.885 | 76% | 0.755 | S | S | * | * | 179.5 | 140.1 | 119.7 | -92.7 | 179.1 | -177.4 | -146.3 | 0.2 | 111.8 | S874 | S874-R876 PolarHBondContact O-N 3.13Å; S874-R876 VanDerWaalsContact O-N 3.09Å | |||
| 877 | P | 29.7 | Very low | 29.2 | Very low | 107.5 Ų | 107.5 | 140.5 Ų | 140.5 | 70% | 0.698 | 76% | 0.756 | S | S | * | * | trans | -96.9 | 159.9 | -155 | 35.9 | -31.8 | 0 | 0 | 0 | 112.2 | V879 | P877-V879 HydrophobicContact CG-CG2 3.74Å; P877-V879 PolarHBondContact O-N 3.26Å | ||
| 878 | F | 27.1 | Very low | 29.3 | Very low | 208 Ų | 208 | 140.5 Ų | 140.5 | 91% | 0.912 | 76% | 0.757 | S | S | * | * | trans | -89.7 | 132.9 | 162.9 | -98.4 | -82.4 | 0 | 0 | 0 | 109.7 | P880 | F878-P880 WeakPolarHBondContact O-CD 3.32Š| ||
| 879 | V | 29.6 | Very low | 29.2 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | trans | -110.8 | 129.5 | 163.1 | 162.5 | 0 | 0 | 0 | 0 | 107.1 | P877 C881 | P877-V879 HydrophobicContact CG-CG2 3.74Å; P877-V879 PolarHBondContact O-N 3.26Å; V879-C881 PolarHBondContact O-N 3.34Å | ||
| 880 | P | 28.3 | Very low | 29.1 | Very low | 111.75 Ų | 111.75 | 142.5 Ų | 142.5 | 73% | 0.726 | 76% | 0.763 | S | S | * | * | trans | -80.4 | 141 | 178.6 | 23.3 | -20.6 | 0 | 0 | 0 | 111.8 | F878 N882 | F878-P880 WeakPolarHBondContact O-CD 3.32Å; P880-N882 PolarHBondContact O-N 3.33Å | ||
| 881 | C | 27.6 | Very low | 29.1 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -84 | 129 | 176.2 | -72.4 | 0 | 0 | 0 | 0 | 112.3 | V879 V883 | V879-C881 PolarHBondContact O-N 3.34Å; C881-V883 VanDerWaalsContact C-N 3.33Å; C881-V883 PolarHBondContact O-N 3.3Å | ||
| 882 | N | 25.7 | Very low | 28.8 | Very low | 138.25 Ų | 138.25 | 138 Ų | 138 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | trans | -126.1 | 128.6 | 178.9 | -147.3 | -14.8 | 0 | 0 | 0 | 108.4 | P880 K884 | P880-N882 PolarHBondContact O-N 3.33Å; N882-K884 HydrophobicContact CB-CB 4.29Å; N882-K884 PolarHBondContact O-N 3.18Å; N882-K884 WeakPolarHBondContact OD1-CD 3.33Å; N882-K884 PolarHBondContact OD1-NZ 3.14Å | ||
| 883 | V | 29.5 | Very low | 28.9 | Very low | 120.75 Ų | 120.75 | 139.3 Ų | 139.3 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | trans | 0.9 | 103.8 | 163.3 | -159.6 | 0 | 0 | 0 | 0 | 112.4 | C881 S885 | C881-V883 VanDerWaalsContact C-N 3.33Å; C881-V883 PolarHBondContact O-N 3.3Å; V883-S885 PolarHBondContact O-N 3.47Å; V883-S885 PolarHBondContact O-OG 3.39Å | ||
| 884 | K | 27.4 | Very low | 28.8 | Very low | 186 Ų | 186 | 133.6 Ų | 133.6 | 81% | 0.809 | 76% | 0.758 | S | S | * | * | trans | 69.3 | 114.2 | 140.6 | -84 | 168.5 | -175.4 | 168.2 | 0 | 113.3 | N882 | N882-K884 HydrophobicContact CB-CB 4.29Å; N882-K884 PolarHBondContact O-N 3.18Å; N882-K884 WeakPolarHBondContact OD1-CD 3.33Å; N882-K884 PolarHBondContact OD1-NZ 3.14Å | ||
| 885 | S | 30.2 | Very low | 28.6 | Very low | 102.75 Ų | 102.75 | 136.2 Ų | 136.2 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | trans | -100 | 157.1 | 156.7 | -96.7 | 0 | 0 | 0 | 0 | 108.6 | V883 N887 | V883-S885 PolarHBondContact O-N 3.47Å; V883-S885 PolarHBondContact O-OG 3.39Å; S885-N887 PolarHBondContact O-N 3.28Å | ||
| 886 | P | 34.1 | Very low | 28.5 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | trans | -97.5 | 145.7 | 135.5 | 34.2 | -27.7 | 0 | 0 | 0 | 111.5 | N888 | P886-N888 PolarHBondContact O-N 3.46Š| ||
| 887 | N | 28.9 | Very low | 28.5 | Very low | 137 Ų | 137 | 130.7 Ų | 130.7 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | -0.4 | 121.7 | 144 | -63.8 | -4.8 | 0 | 0 | 0 | 114.9 | S885 | S885-N887 PolarHBondContact O-N 3.28Š| ||
| 888 | N | 31.3 | Very low | 28.4 | Very low | 147.25 Ų | 147.25 | 133.9 Ų | 133.9 | 79% | 0.787 | 76% | 0.762 | S | S | * | * | trans | 172.2 | 131.9 | 130.8 | -87.3 | 1.6 | 0 | 0 | 0 | 111.7 | P886 V890 | P886-N888 PolarHBondContact O-N 3.46Å; N888-V890 PolarHBondContact O-N 3.29Å | ||
| 889 | D | 28.5 | Very low | 28.5 | Very low | 141 Ų | 141 | 129.9 Ų | 129.9 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | -71.6 | 136.1 | 173 | -72.1 | -46.6 | 0 | 0 | 0 | 112.4 | ||||
| 890 | V | 28.1 | Very low | 28.4 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | 121.3 | 101.5 | 106.4 | -179.4 | 0 | 0 | 0 | 0 | 112 | N888 L892 | N888-V890 PolarHBondContact O-N 3.29Å; V890-L892 PolarHBondContact O-N 3.1Å | |||
| 891 | A | 28.9 | Very low | 28.5 | Very low | 81.75 Ų | 81.75 | 131.8 Ų | 131.8 | 68% | 0.676 | 75% | 0.754 | S | S | * | * | trans | -81.5 | 143.7 | 152.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I893 | A891-I893 VanDerWaalsContact C-N 3.3Å; A891-I893 HydrophobicContact CB-CG1 4.49Å; A891-I893 PolarHBondContact O-N 3.34Å | ||
| 892 | L | 26.1 | Very low | 28.7 | Very low | 153.25 Ų | 153.25 | 133.7 Ų | 133.7 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | 175.2 | 116 | 63.5 | -123.3 | 168.6 | 0 | 0 | 0 | 108.6 | V890 S894 | V890-L892 PolarHBondContact O-N 3.1Å; L892-S894 PolarHBondContact O-N 2.85Å | |||
| 893 | I | 29 | Very low | 28.9 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | 38.3 | 116.4 | 148.9 | -61.3 | 174.2 | 0 | 0 | 0 | 110.6 | A891 L895 | A891-I893 VanDerWaalsContact C-N 3.3Å; A891-I893 HydrophobicContact CB-CG1 4.49Å; A891-I893 PolarHBondContact O-N 3.34Å; I893-L895 HydrophobicContact CG2-CD1 3.9Å; I893-L895 HydrophobicContact CG2-CG 4.24Å; I893-L895 PolarHBondContact O-N 3.3Å | ||
| 894 | S | 26.9 | Very low | 29 | Very low | 93.75 Ų | 93.75 | 132.4 Ų | 132.4 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | cis | -161.5 | 132.8 | 46.9 | -82.5 | 0 | 0 | 0 | 0 | 113.7 | L892 S896 | L892-S894 PolarHBondContact O-N 2.85Å; S894-S896 VanDerWaalsContact C-N 3.3Å; S894-S896 PolarHBondContact O-N 3.07Å | ||
| 895 | L | 27.1 | Very low | 29.2 | Very low | 152.75 Ų | 152.75 | 129.6 Ų | 129.6 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | trans | -54.2 | 122.8 | 156.6 | -82 | 82.5 | 0 | 0 | 0 | 113.4 | I893 T897 | I893-L895 HydrophobicContact CG2-CD1 3.9Å; I893-L895 HydrophobicContact CG2-CG 4.24Å; I893-L895 PolarHBondContact O-N 3.3Å; L895-T897 PolarHBondContact O-N 2.88Å | ||
| 896 | S | 26.9 | Very low | 29.2 | Very low | 99.5 Ų | 99.5 | 133.7 Ų | 133.7 | 70% | 0.696 | 75% | 0.746 | S | S | * | * | 53.2 | 133.9 | 111 | 40.5 | 0 | 0 | 0 | 0 | 113.4 | S894 Q898 | S894-S896 VanDerWaalsContact C-N 3.3Å; S894-S896 PolarHBondContact O-N 3.07Å; S896-Q898 PolarHBondContact O-N 3.01Å; S896-Q898 VanDerWaalsContact O-N 3.11Å | |||
| 897 | T | 26.7 | Very low | 29 | Very low | 127.75 Ų | 127.75 | 132.5 Ų | 132.5 | 78% | 0.784 | 74% | 0.74 | S | S | * | * | 32.2 | 118.2 | 72.8 | -4.3 | 0 | 0 | 0 | 0 | 112.2 | L895 | L895-T897 PolarHBondContact O-N 2.88Š| |||
| 898 | Q | 28.1 | Very low | 29.1 | Very low | 174.75 Ų | 174.75 | 131.7 Ų | 131.7 | 82% | 0.817 | 74% | 0.736 | S | S | * | * | -119 | 148.3 | 115.8 | -118.5 | 178.8 | 13.9 | 0 | 0 | 113.3 | S896 N900 | S896-Q898 PolarHBondContact O-N 3.01Å; S896-Q898 VanDerWaalsContact O-N 3.11Å; Q898-N900 PolarHBondContact O-N 3.48Å | |||
| 899 | V | 29.3 | Very low | 29.2 | Very low | 123.25 Ų | 123.25 | 129.9 Ų | 129.9 | 75% | 0.747 | 73% | 0.731 | S | S | * | * | 25.2 | 139.6 | 128.5 | -170.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 900 | N | 28.5 | Very low | 29.3 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | -171.4 | 154.4 | 108.1 | -143.1 | 50.5 | 0 | 0 | 0 | 111.5 | Q898 | Q898-N900 PolarHBondContact O-N 3.48Š| |||
| 901 | D | 30.3 | Very low | 29.4 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | trans | 56.3 | 144.9 | 154.5 | -63 | -28.6 | 0 | 0 | 0 | 115 | ||||
| 902 | Q | 30.9 | Very low | 29.4 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | 160.5 | 136.9 | -57.8 | -96 | -124 | 51 | 0 | 0 | 109.3 | |||||
| 903 | D | 30.8 | Very low | 29.6 | Very low | 136.5 Ų | 136.5 | 134 Ų | 134 | 73% | 0.73 | 73% | 0.725 | S | S | * | * | trans | 55.3 | 136.9 | 135.8 | -59.5 | -39.9 | 0 | 0 | 0 | 116.2 | ||||
| 904 | S | 30.4 | Very low | 29.7 | Very low | 95.25 Ų | 95.25 | 130.9 Ų | 130.9 | 67% | 0.666 | 72% | 0.722 | S | S | * | * | cis | 175.4 | 134.1 | 13.3 | 43.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 905 | D | 32.5 | Very low | 29.8 | Very low | 126.75 Ų | 126.75 | 135.8 Ų | 135.8 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | trans | 51.7 | 137.2 | 141.4 | -74.5 | -26.2 | 0 | 0 | 0 | 119.6 | S288 | S288-D905 VanDerWaalsContact CB-OD1 3.23Å; S288-D905 WeakPolarHBondContact CB-OD1 3.49Å; S288-D905 WeakPolarHBondContact OG-CA 3.39Å; S288-D905 PolarHBondContact OG-N 3.42Å; S288-D905 PolarHBondContact OG-OD1 3.28Å | ||
| 906 | F | 29.6 | Very low | 30 | Very low | 188.25 Ų | 188.25 | 133.9 Ų | 133.9 | 83% | 0.826 | 73% | 0.731 | S | S | * | * | trans | 70.6 | 128.2 | 137 | -86.9 | -99.2 | 0 | 0 | 0 | 119.1 | ||||
| 907 | S | 30.5 | Very low | 30.1 | Very low | 91 Ų | 91 | 138 Ų | 138 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | trans | 125.3 | 157.5 | 133.5 | 63.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 908 | D | 31.1 | Very low | 30.2 | Very low | 121 Ų | 121 | 139 Ų | 139 | 65% | 0.647 | 74% | 0.736 | S | S | * | * | trans | 65 | 140.9 | 144.5 | -97.8 | 11.5 | 0 | 0 | 0 | 119.9 | K910 | D908-K910 IonicContact OD2-NZ 2.72Å; D908-K910 PolarHBondContact OD2-NZ 2.9Å | ||
| 909 | V | 32.8 | Very low | 30.2 | Very low | 110.25 Ų | 110.25 | 138.6 Ų | 138.6 | 67% | 0.668 | 73% | 0.732 | S | S | * | * | 139 | 126.4 | 117.8 | 155.3 | 0 | 0 | 0 | 0 | 114.1 | V1033 | V909-V1033 HydrophobicContact CG2-CG1 3.9Š| |||
| 910 | K | 30 | Very low | 30.2 | Very low | 164.75 Ų | 164.75 | 138.8 Ų | 138.8 | 72% | 0.716 | 73% | 0.728 | S | S | * | * | trans | 85.3 | 137.8 | 160.2 | -78.7 | 165.7 | -170.3 | 155.1 | 0 | 114 | D908 | D908-K910 IonicContact OD2-NZ 2.72Å; D908-K910 PolarHBondContact OD2-NZ 2.9Å | ||
| 911 | Q | 29.9 | Very low | 30.3 | Very low | 171.25 Ų | 171.25 | 138.8 Ų | 138.8 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | 92.2 | 120.8 | 112.7 | -134 | 174.2 | -2.4 | 0 | 0 | 116.5 | |||||
| 912 | S | 29.4 | Very low | 30.1 | Very low | 94.5 Ų | 94.5 | 142.5 Ų | 142.5 | 66% | 0.661 | 74% | 0.744 | S | S | * | * | trans | -152.5 | 136.7 | 143.5 | 48.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 913 | H | 31 | Very low | 30.1 | Very low | 164.75 Ų | 164.75 | 140.2 Ų | 140.2 | 76% | 0.763 | 75% | 0.745 | S | S | * | * | trans | 42.6 | 150.7 | 130.7 | -59.4 | -61.4 | 0 | 0 | 0 | 115 | E1597 | H913-E1597 IonicContact CE1-OE2 3.43Å; H913-E1597 PolarHBondContact CE1-OE2 2.75Å; H913-E1597 IonicContact ND1-OE2 3.99Å | ||
| 914 | A | 31.3 | Very low | 29.9 | Very low | 82 Ų | 82 | 138.8 Ų | 138.8 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | trans | -128 | 136.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 915 | K | 29 | Very low | 29.8 | Very low | 197 Ų | 197 | 141.8 Ų | 141.8 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | 37.6 | 125.4 | 102.8 | -76.6 | -178.1 | 177.5 | 176.6 | 0 | 114.9 | |||||
| 916 | S | 31.6 | Very low | 29.5 | Very low | 113.25 Ų | 113.25 | 141.5 Ų | 141.5 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | 74.4 | 146.7 | 152.4 | 80.4 | 0 | 0 | 0 | 0 | 114.9 | L918 | S916-L918 PolarHBondContact O-N 3.34Š| ||
| 917 | K | 28.4 | Very low | 29.5 | Very low | 184.5 Ų | 184.5 | 137.7 Ų | 137.7 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | cis | -146.4 | 151 | -5 | -119 | 180 | 174.2 | -179.6 | 0 | 108.8 | ||||
| 918 | L | 27.8 | Very low | 29.4 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | 61.7 | 145.2 | 163.8 | -102.7 | 55.1 | 0 | 0 | 0 | 113.3 | S916 | S916-L918 PolarHBondContact O-N 3.34Š| ||
| 919 | K | 28.7 | Very low | 29.3 | Very low | 166.25 Ų | 166.25 | 145 Ų | 145 | 72% | 0.723 | 77% | 0.771 | S | S | * | * | cis | -176.7 | 146.8 | -22.3 | -156.9 | -171.4 | 170.3 | -154.8 | 0 | 108.6 | T921 | K919-T921 PolarHBondContact O-N 2.9Å; K919-T921 VanDerWaalsContact O-N 3.1Å | ||
| 920 | D | 29.1 | Very low | 29.1 | Very low | 125.5 Ų | 125.5 | 150 Ų | 150 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | 40.4 | 130.2 | 167.9 | -56.3 | -44.8 | 0 | 0 | 0 | 115.4 | ||||
| 921 | T | 30.6 | Very low | 29.1 | Very low | 138.5 Ų | 138.5 | 148.7 Ų | 148.7 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | -147.4 | 132.6 | 125.8 | 33.2 | 0 | 0 | 0 | 0 | 114 | K919 S923 | K919-T921 PolarHBondContact O-N 2.9Å; K919-T921 VanDerWaalsContact O-N 3.1Å; T921-S923 PolarHBondContact O-N 3.35Å | |||
| 922 | K | 27 | Very low | 29.2 | Very low | 209.75 Ų | 209.75 | 145.5 Ų | 145.5 | 91% | 0.912 | 77% | 0.773 | S | S | * | * | trans | -64.1 | 123.7 | 167 | -61 | 167.8 | -179.7 | 174 | 0 | 111.6 | ||||
| 923 | S | 29.8 | Very low | 29 | Very low | 112.25 Ų | 112.25 | 147.1 Ų | 147.1 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -143.4 | 131.2 | 146.7 | 46.8 | 0 | 0 | 0 | 0 | 109.3 | T921 L925 | T921-S923 PolarHBondContact O-N 3.35Å; S923-L925 PolarHBondContact O-N 3.34Å | ||
| 924 | S | 26.7 | Very low | 28.9 | Very low | 108.75 Ų | 108.75 | 145.2 Ų | 145.2 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -73.1 | 119.5 | 158.7 | 58.7 | 0 | 0 | 0 | 0 | 111.3 | T926 | S924-T926 PolarHBondContact O-N 3.43Š| ||
| 925 | L | 29.4 | Very low | 28.7 | Very low | 157.25 Ų | 157.25 | 147.1 Ų | 147.1 | 82% | 0.823 | 78% | 0.781 | S | S | * | * | trans | -116.6 | 113.7 | 160.8 | -93.9 | 117.3 | 0 | 0 | 0 | 111.3 | S923 S927 | S923-L925 PolarHBondContact O-N 3.34Å; L925-S927 PolarHBondContact O-N 3.49Å | ||
| 926 | T | 26.8 | Very low | 28.7 | Very low | 119.75 Ų | 119.75 | 145.9 Ų | 145.9 | 74% | 0.735 | 78% | 0.779 | S | S | * | * | trans | -20.3 | 117.4 | 138.5 | 55 | 0 | 0 | 0 | 0 | 114 | S924 | S924-T926 PolarHBondContact O-N 3.43Š| ||
| 927 | S | 29.3 | Very low | 28.5 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -142.8 | 128.1 | 140.6 | 38.1 | 0 | 0 | 0 | 0 | 110.2 | L925 Y929 | L925-S927 PolarHBondContact O-N 3.49Å; S927-Y929 PolarHBondContact O-N 3.37Å | ||
| 928 | N | 27 | Very low | 28.5 | Very low | 148 Ų | 148 | 145.8 Ų | 145.8 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -24.1 | 120.7 | 149.3 | -61.3 | -34 | 0 | 0 | 0 | 113.2 | R930 | N928-R930 PolarHBondContact O-N 2.92Š| ||
| 929 | Y | 30.1 | Very low | 28.4 | Very low | 216.5 Ų | 216.5 | 149.3 Ų | 149.3 | 85% | 0.849 | 78% | 0.779 | S | S | * | * | trans | -96.9 | 130.3 | 138.5 | -113.5 | -99.7 | 0 | 0 | 0 | 110.6 | S927 | S927-Y929 PolarHBondContact O-N 3.37Š| ||
| 930 | R | 28.9 | Very low | 28.3 | Very low | 216.5 Ų | 216.5 | 146.7 Ų | 146.7 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | -141.9 | 118 | 174.1 | -149.9 | -165.5 | -165.2 | -176.6 | 4.2 | 109.9 | N928 | N928-R930 PolarHBondContact O-N 2.92Š| ||
| 931 | D | 29.9 | Very low | 28.2 | Very low | 136.75 Ų | 136.75 | 152 Ų | 152 | 73% | 0.731 | 79% | 0.793 | S | S | * | * | trans | -37.4 | 153.9 | 161.4 | -71.4 | -48.8 | 0 | 0 | 0 | 113.1 | ||||
| 932 | P | 30.5 | Very low | 28 | Very low | 104.5 Ų | 104.5 | 150.4 Ų | 150.4 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | -125 | 148.6 | 83.1 | 38.3 | -27.1 | 0 | 0 | 0 | 114.7 | T934 | P932-T934 PolarHBondContact O-N 3.38Å; P932-T934 PolarHBondContact O-OG1 3.32Å | |||
| 933 | V | 25.8 | Very low | 28.1 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -45.4 | 123.3 | 158.5 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | V935 | V933-V935 HydrophobicContact CG1-CG2 4.18Å; V933-V935 PolarHBondContact O-N 3.25Å | ||
| 934 | T | 29 | Very low | 27.9 | Very low | 124.75 Ų | 124.75 | 151.3 Ų | 151.3 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | trans | -107.9 | 120.8 | 161.9 | -54.3 | 0 | 0 | 0 | 0 | 112.6 | P932 Q936 | P932-T934 PolarHBondContact O-N 3.38Å; P932-T934 PolarHBondContact O-OG1 3.32Å; T934-Q936 PolarHBondContact O-N 2.76Å | ||
| 935 | V | 27.5 | Very low | 28 | Very low | 122 Ų | 122 | 149.6 Ų | 149.6 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | trans | -109 | 121.9 | 163.1 | 170.6 | 0 | 0 | 0 | 0 | 109.6 | V933 S937 | V933-V935 HydrophobicContact CG1-CG2 4.18Å; V933-V935 PolarHBondContact O-N 3.25Å; V935-S937 PolarHBondContact O-N 3.14Å; V935-S937 VanDerWaalsContact O-N 3.13Å | ||
| 936 | Q | 28.1 | Very low | 28 | Very low | 172.25 Ų | 172.25 | 147.5 Ų | 147.5 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | trans | -77.4 | 122.3 | 165.1 | -79.8 | 174.4 | 2 | 0 | 0 | 113.5 | T934 F938 | T934-Q936 PolarHBondContact O-N 2.76Å; Q936-F938 PolarHBondContact O-N 3.09Å | ||
| 937 | S | 27.1 | Very low | 27.9 | Very low | 97.5 Ų | 97.5 | 147.7 Ų | 147.7 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | trans | -2.7 | 116.1 | 145 | 130.2 | 0 | 0 | 0 | 0 | 113.6 | V935 R939 | V935-S937 PolarHBondContact O-N 3.14Å; V935-S937 VanDerWaalsContact O-N 3.13Å; S937-R939 PolarHBondContact O-N 2.92Å | ||
| 938 | F | 28.2 | Very low | 27.9 | Very low | 197.25 Ų | 197.25 | 146.8 Ų | 146.8 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | trans | -97.1 | 113.2 | 141.7 | -89.9 | -85.4 | 0 | 0 | 0 | 112.1 | Q936 S940 | Q936-F938 PolarHBondContact O-N 3.09Å; F938-S940 PolarHBondContact O-N 3.24Å | ||
| 939 | R | 27.1 | Very low | 28 | Very low | 224.25 Ų | 224.25 | 151.4 Ų | 151.4 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -62.4 | 108.7 | 170.6 | -146.2 | 179.1 | -171.3 | 172.9 | 2.9 | 112.2 | S937 R941 | S937-R939 PolarHBondContact O-N 2.92Å; R939-R941 PolarHBondContact O-N 2.71Å | ||
| 940 | S | 26.1 | Very low | 28 | Very low | 111.75 Ų | 111.75 | 145.7 Ų | 145.7 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | -56.7 | 130.8 | 159 | -53.4 | 0 | 0 | 0 | 0 | 112.9 | F938 S942 | F938-S940 PolarHBondContact O-N 3.24Å; S940-S942 PolarHBondContact O-N 3.34Å | ||
| 941 | R | 27.3 | Very low | 28.1 | Very low | 236.25 Ų | 236.25 | 142.3 Ų | 142.3 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | trans | -99.4 | 131.8 | 170.1 | -79.3 | 173 | -174.7 | -154.1 | -1.5 | 112 | R939 I943 | R939-R941 PolarHBondContact O-N 2.71Å; R941-I943 PolarHBondContact O-N 3.41Å | ||
| 942 | S | 26.8 | Very low | 28.1 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -49.3 | 140.4 | 144.2 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | S940 | S940-S942 PolarHBondContact O-N 3.34Š| ||
| 943 | I | 28.1 | Very low | 28.1 | Very low | 154.25 Ų | 154.25 | 143.6 Ų | 143.6 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -161.4 | 109.2 | 157.9 | -67.5 | 169.8 | 0 | 0 | 0 | 109.8 | R941 G945 | R941-I943 PolarHBondContact O-N 3.41Å; I943-G945 PolarHBondContact O-N 3.29Å | ||
| 944 | H | 26.4 | Very low | 28.2 | Very low | 187.75 Ų | 187.75 | 143 Ų | 143 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | -12.5 | 126.7 | 150.1 | -116.6 | -97.1 | 0 | 0 | 0 | 115.8 | ||||
| 945 | G | 29.5 | Very low | 28.3 | Very low | 73 Ų | 73 | 144.2 Ų | 144.2 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -173.7 | 106.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | I943 | I943-G945 PolarHBondContact O-N 3.29Š| ||
| 946 | S | 27.6 | Very low | 28.4 | Very low | 113.5 Ų | 113.5 | 144.7 Ų | 144.7 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -86.6 | 158 | -177.1 | -165.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 947 | C | 25.2 | Very low | 28.5 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | 74.2 | 123.2 | 163.5 | -71.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 948 | A | 29.3 | Very low | 28.7 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | -168.4 | 138.9 | 107.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S950 | A948-S950 PolarHBondContact O-N 3.32Š| |||
| 949 | R | 28.6 | Very low | 28.8 | Very low | 242.75 Ų | 242.75 | 136.6 Ų | 136.6 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | trans | -1 | 122.9 | 174 | -126.7 | 176.5 | 156 | 170.6 | -1.7 | 113.7 | ||||
| 950 | S | 31.4 | Very low | 28.8 | Very low | 98.5 Ų | 98.5 | 132.4 Ų | 132.4 | 69% | 0.689 | 76% | 0.757 | S | S | * | * | -141.4 | 136.3 | 89.2 | 51.4 | 0 | 0 | 0 | 0 | 111.3 | A948 N952 | A948-S950 PolarHBondContact O-N 3.32Å; S950-N952 PolarHBondContact O-N 3.15Å | |||
| 951 | N | 31.1 | Very low | 29.1 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | trans | -48.1 | 131.6 | 164.1 | -71 | -6.8 | 0 | 0 | 0 | 114.3 | S953 | N951-S953 PolarHBondContact O-N 3.16Š| ||
| 952 | N | 29.9 | Very low | 29.2 | Very low | 155 Ų | 155 | 126.8 Ų | 126.8 | 83% | 0.829 | 74% | 0.74 | S | S | * | * | trans | -95.7 | 115.7 | 166.9 | -70 | -14.1 | 0 | 0 | 0 | 113.3 | S950 S954 | S950-N952 PolarHBondContact O-N 3.15Å; N952-S954 PolarHBondContact O-N 3Å | ||
| 953 | S | 30.5 | Very low | 29.2 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | trans | -139.6 | 119.9 | 153.8 | 58.1 | 0 | 0 | 0 | 0 | 110.5 | N951 L955 | N951-S953 PolarHBondContact O-N 3.16Å; S953-L955 PolarHBondContact O-N 2.79Å | ||
| 954 | S | 28.5 | Very low | 29.2 | Very low | 115.25 Ų | 115.25 | 127.8 Ų | 127.8 | 81% | 0.806 | 74% | 0.738 | S | S | * | * | trans | -81.9 | 121.1 | -180 | 35 | 0 | 0 | 0 | 0 | 115.3 | N952 | N952-S954 PolarHBondContact O-N 3Š| ||
| 955 | L | 29.8 | Very low | 29.3 | Very low | 148.5 Ų | 148.5 | 126.7 Ų | 126.7 | 78% | 0.777 | 74% | 0.738 | S | S | * | * | trans | -107 | 139 | 158.4 | -75.6 | 166 | 0 | 0 | 0 | 113.4 | S953 | S953-L955 PolarHBondContact O-N 2.79Š| ||
| 956 | H | 29.4 | Very low | 29.1 | Very low | 133.5 Ų | 133.5 | 128.6 Ų | 128.6 | 62% | 0.618 | 74% | 0.738 | S | S | * | * | trans | -105.5 | 127.3 | -175.3 | -165.2 | -73.1 | 0 | 0 | 0 | 113.9 | V1198 | H956-V1198 HydrophobicContact CB-CB 3.69Å; H956-V1198 HydrophobicContact CB-CG1 3.67Å; H956-V1198 HydrophobicContact CB-CG2 3.97Å; H956-V1198 PolarHBondContact CE1-O 3.1Å; H956-V1198 PolarHBondContact ND1-O 2.84Å; H956-V1198 WeakPolarHBondContact O-CG1 3.29Å | ||
| 957 | L | 30 | Very low | 29 | Very low | 126.5 Ų | 126.5 | 128.6 Ų | 128.6 | 66% | 0.662 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 152.4 | 165.1 | -99.9 | 83.7 | 0 | 0 | 0 | 113.3 | F1518 | L957-F1518 HydrophobicContact CD1-CE2 4.22Å; L957-F1518 HydrophobicContact CD1-CZ 4.1Å |
| 958 | P | 31.1 | Very low | 29.1 | Very low | 84.25 Ų | 84.25 | 128.2 Ų | 128.2 | 55% | 0.547 | 74% | 0.737 | S | S | . | * | P | Polyproline II helix | trans | -92.4 | 171 | -163.8 | 36.5 | -33.9 | 0 | 0 | 0 | 112.7 | L960 I1201 L1202 | P958-L960 PolarHBondContact O-N 3.42Å; P958-I1201 HydrophobicContact CB-CB 3.77Å; P958-I1201 HydrophobicContact CG-CB 3.65Å; P958-I1201 HydrophobicContact CG-CG2 4.08Å; P958-L1202 HydrophobicContact CB-CB 4.07Å; P958-L1202 HydrophobicContact CB-CG 4.36Å; P958-L1202 HydrophobicContact CG-CB 3.85Å; P958-L1202 HydrophobicContact CG-CD1 3.72Å; P958-L1202 HydrophobicContact CG-CG 3.57Å |
| 959 | P | 31.5 | Very low | 29 | Very low | 86 Ų | 86 | 128.6 Ų | 128.6 | 56% | 0.558 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 147 | -167.4 | 25.4 | -18.3 | 0 | 0 | 0 | 113.8 | L961 A1199 L1202 | P959-L961 HydrophobicContact CB-CD1 4.29Å; P959-L961 HydrophobicContact CB-CG 3.97Å; P959-L961 HydrophobicContact CG-CD1 3.74Å; P959-L961 HydrophobicContact CG-CG 3.96Å; P959-L961 PolarHBondContact O-N 2.86Å; P959-A1199 WeakPolarHBondContact CD-O 3.47Å; P959-L1202 CarbonylContact O-C 3.56Å; P959-L1202 WeakPolarHBondContact O-CB 3.38Å |
| 960 | L | 27.3 | Very low | 29.1 | Very low | 136 Ų | 136 | 124 Ų | 124 | 71% | 0.712 | 73% | 0.727 | S | S | * | * | trans | -91.1 | 121 | 167.3 | -72 | 172.5 | 0 | 0 | 0 | 111.3 | P958 L1202 | P958-L960 PolarHBondContact O-N 3.42Å; L960-L1202 HydrophobicContact CD1-CD1 4.49Å; L960-L1202 HydrophobicContact CD2-CB 4.13Å; L960-L1202 HydrophobicContact CD2-CD1 3.72Å; L960-L1202 HydrophobicContact CD2-CD2 3.94Å; L960-L1202 HydrophobicContact CD2-CG 4.13Å; L960-L1202 HydrophobicContact CG-CB 4.46Å; L960-L1202 HydrophobicContact CG-CD1 3.68Å | ||
| 961 | L | 31 | Very low | 28.9 | Very low | 131.25 Ų | 131.25 | 126.2 Ų | 126.2 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | trans | -100.3 | 144.2 | 172.4 | -77.1 | 171.8 | 0 | 0 | 0 | 111.3 | P959 | P959-L961 HydrophobicContact CB-CD1 4.29Å; P959-L961 HydrophobicContact CB-CG 3.97Å; P959-L961 HydrophobicContact CG-CD1 3.74Å; P959-L961 HydrophobicContact CG-CG 3.96Å; P959-L961 PolarHBondContact O-N 2.86Å | ||
| 962 | P | 29.6 | Very low | 28.9 | Very low | 99.5 Ų | 99.5 | 127.3 Ų | 127.3 | 65% | 0.646 | 73% | 0.73 | S | S | * | * | trans | -74.9 | 144.1 | 172.7 | 20.4 | -19.2 | 0 | 0 | 0 | 111.4 | N964 | P962-N964 PolarHBondContact O-N 2.99Š| ||
| 963 | L | 28.5 | Very low | 28.8 | Very low | 147.75 Ų | 147.75 | 128.5 Ų | 128.5 | 77% | 0.774 | 73% | 0.728 | S | S | * | * | trans | -92.1 | 119.3 | 177.5 | -71.5 | 170.1 | 0 | 0 | 0 | 111.8 | L965 R1471 | L963-L965 PolarHBondContact O-N 3.29Å; L963-R1471 PolarHBondContact O-NH1 3.32Å; L963-R1471 PolarHBondContact O-NH2 3.47Å | ||
| 964 | N | 27.2 | Very low | 28.9 | Very low | 132.25 Ų | 132.25 | 128.8 Ų | 128.8 | 71% | 0.707 | 73% | 0.727 | S | S | * | * | trans | -97.7 | 113 | 168.7 | -113.3 | 6.1 | 0 | 0 | 0 | 112.6 | P962 | P962-N964 PolarHBondContact O-N 2.99Š| ||
| 965 | L | 27.9 | Very low | 28.9 | Very low | 163.75 Ų | 163.75 | 131.1 Ų | 131.1 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | trans | -155 | 118.1 | 149.9 | -76.9 | 117.9 | 0 | 0 | 0 | 111.1 | L963 | L963-L965 PolarHBondContact O-N 3.29Š| ||
| 966 | C | 26.3 | Very low | 28.7 | Very low | 113.75 Ų | 113.75 | 128.9 Ų | 128.9 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | trans | 148.5 | 116.7 | 132.5 | -126 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 967 | S | 25.2 | Very low | 28.7 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | trans | 72.8 | 119.2 | 172.4 | -9.1 | 0 | 0 | 0 | 0 | 114 | S969 | S967-S969 PolarHBondContact O-N 2.88Š| ||
| 968 | S | 27 | Very low | 28.6 | Very low | 111.75 Ų | 111.75 | 129.4 Ų | 129.4 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | trans | -117.2 | 131.7 | 166.3 | -69.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 969 | S | 27.2 | Very low | 28.5 | Very low | 103 Ų | 103 | 131.3 Ų | 131.3 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | trans | 144.2 | 129.9 | 150.9 | 62.8 | 0 | 0 | 0 | 0 | 114.2 | S967 | S967-S969 PolarHBondContact O-N 2.88Š| ||
| 970 | L | 30 | Very low | 28.3 | Very low | 145.25 Ų | 145.25 | 134.5 Ų | 134.5 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | trans | 105.7 | 105.2 | 157.4 | -68.6 | 174.1 | 0 | 0 | 0 | 115.8 | H972 | L970-H972 PolarHBondContact O-N 3.42Š| ||
| 971 | L | 28.2 | Very low | 28.4 | Very low | 145.75 Ų | 145.75 | 136.2 Ų | 136.2 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | trans | -107.9 | 125 | 146.2 | -102.2 | 168.2 | 0 | 0 | 0 | 113.2 | ||||
| 972 | H | 30 | Very low | 28.3 | Very low | 166.25 Ų | 166.25 | 135 Ų | 135 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | -129 | 135.1 | 152.1 | -99.8 | -66.2 | 0 | 0 | 0 | 114.9 | L970 | L970-H972 PolarHBondContact O-N 3.42Š| ||
| 973 | K | 28.6 | Very low | 28.4 | Very low | 181.75 Ų | 181.75 | 134.7 Ų | 134.7 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -110.1 | 154.4 | 146.6 | -100.2 | 178.1 | 177.8 | 179.3 | 0 | 111 | L975 | K973-L975 PolarHBondContact O-N 3.06Š| ||
| 974 | P | 31.8 | Very low | 28.4 | Very low | 118.75 Ų | 118.75 | 136.8 Ų | 136.8 | 77% | 0.771 | 78% | 0.776 | S | S | * | * | trans | -95.5 | 156.8 | 180 | 36.5 | -29.5 | 0 | 0 | 0 | 112.4 | ||||
| 975 | L | 28.6 | Very low | 28.5 | Very low | 163.25 Ų | 163.25 | 136.2 Ų | 136.2 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | -124.8 | 136.3 | 160.7 | -84.3 | 131.6 | 0 | 0 | 0 | 108.1 | K973 V977 | K973-L975 PolarHBondContact O-N 3.06Å; L975-V977 PolarHBondContact O-N 3.4Å | ||
| 976 | S | 26.9 | Very low | 28.5 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | 8.3 | 122.6 | 118.5 | -60.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 977 | V | 29.1 | Very low | 28.7 | Very low | 124 Ų | 124 | 136 Ų | 136 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | -150.4 | 127.5 | 104.2 | 157 | 0 | 0 | 0 | 0 | 108.3 | L975 V979 | L975-V977 PolarHBondContact O-N 3.4Å; V977-V979 PolarHBondContact O-N 2.96Å; V977-V979 VanDerWaalsContact O-N 3.15Å | |||
| 978 | D | 27.5 | Very low | 29 | Very low | 148 Ų | 148 | 137.7 Ų | 137.7 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -74.9 | 140.6 | 164.2 | -72.8 | -40.6 | 0 | 0 | 0 | 112.4 | L980 | D978-L980 PolarHBondContact O-N 3.33Å; D978-L980 VanDerWaalsContact O-N 3.16Å | ||
| 979 | V | 29.4 | Very low | 29.1 | Very low | 122.75 Ų | 122.75 | 138.7 Ų | 138.7 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | -139.7 | 135.5 | -121.8 | 150.1 | 0 | 0 | 0 | 0 | 108.6 | V977 E981 | V977-V979 PolarHBondContact O-N 2.96Å; V977-V979 VanDerWaalsContact O-N 3.15Å; V979-E981 PolarHBondContact O-N 3.44Å | |||
| 980 | L | 28.1 | Very low | 29.1 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 80% | 0.801 | 77% | 0.77 | S | S | * | * | trans | -1.1 | 135.6 | 173.8 | -145.5 | 64.6 | 0 | 0 | 0 | 113.4 | D978 | D978-L980 PolarHBondContact O-N 3.33Å; D978-L980 VanDerWaalsContact O-N 3.16Å | ||
| 981 | E | 28.8 | Very low | 28.9 | Very low | 171.75 Ų | 171.75 | 140.7 Ų | 140.7 | 80% | 0.803 | 77% | 0.77 | S | S | * | * | -130.5 | 160 | 79.5 | -165.8 | 159.5 | -156.8 | 0 | 0 | 111.5 | V979 | V979-E981 PolarHBondContact O-N 3.44Š| |||
| 982 | S | 28.4 | Very low | 28.8 | Very low | 107.25 Ų | 107.25 | 138.8 Ų | 138.8 | 75% | 0.75 | 77% | 0.769 | S | S | * | * | trans | 176.9 | 147.5 | 179.1 | -10.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 983 | A | 31.6 | Very low | 28.9 | Very low | 92.25 Ų | 92.25 | 137.7 Ų | 137.7 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | 170.2 | 132.2 | 133.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C985 | A983-C985 PolarHBondContact O-N 2.82Š| ||
| 984 | K | 28.8 | Very low | 29 | Very low | 192.25 Ų | 192.25 | 137.5 Ų | 137.5 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | 40.4 | 129.5 | 117.6 | -94.9 | -179.3 | 175.2 | -178.4 | 0 | 114 | |||||
| 985 | C | 29 | Very low | 29 | Very low | 118.75 Ų | 118.75 | 138.4 Ų | 138.4 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | 145.5 | 139.8 | 124.1 | -72.5 | 0 | 0 | 0 | 0 | 111.9 | A983 | A983-C985 PolarHBondContact O-N 2.82Š| |||
| 986 | Q | 28.2 | Very low | 29.1 | Very low | 138.75 Ų | 138.75 | 138.3 Ų | 138.3 | 65% | 0.648 | 76% | 0.761 | S | S | * | * | -166.9 | 136.9 | -107.3 | -177.7 | 114.6 | 10.6 | 0 | 0 | 109.5 | H988 | Q986-H988 PolarHBondContact NE2-NE2 3.39Š| |||
| 987 | D | 31 | Very low | 29.3 | Very low | 134.75 Ų | 134.75 | 141 Ų | 141 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | trans | -179.7 | 131.6 | 157.9 | -82.1 | -29.2 | 0 | 0 | 0 | 112.9 | V989 | D987-V989 PolarHBondContact O-N 3.1Š| ||
| 988 | H | 29.7 | Very low | 29.3 | Very low | 151.25 Ų | 151.25 | 140.1 Ų | 140.1 | 70% | 0.7 | 77% | 0.766 | S | S | * | * | trans | -130.1 | 138.5 | 166 | -84.9 | -77.1 | 0 | 0 | 0 | 111.5 | Q986 | Q986-H988 PolarHBondContact NE2-NE2 3.39Š| ||
| 989 | V | 29.8 | Very low | 29.6 | Very low | 132.75 Ų | 132.75 | 138.6 Ų | 138.6 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | trans | 156.8 | 121.7 | 142.8 | 178.4 | 0 | 0 | 0 | 0 | 112.1 | D987 C991 | D987-V989 PolarHBondContact O-N 3.1Å; V989-C991 PolarHBondContact O-N 3.47Å | ||
| 990 | E | 26.6 | Very low | 29.6 | Very low | 177.5 Ų | 177.5 | 141.7 Ų | 141.7 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | trans | -134.9 | 147.4 | 168 | -166 | 176.1 | 175.2 | 0 | 0 | 110.1 | S992 | E990-S992 PolarHBondContact O-N 2.88Š| ||
| 991 | C | 27.1 | Very low | 29.7 | Very low | 111.75 Ų | 111.75 | 139.8 Ų | 139.8 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -138.8 | 125.7 | 172.2 | -100.1 | 0 | 0 | 0 | 0 | 111.8 | V989 I993 | V989-C991 PolarHBondContact O-N 3.47Å; C991-I993 PolarHBondContact O-N 2.9Å | ||
| 992 | S | 25.9 | Very low | 29.7 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | -133.2 | 140.7 | 169.7 | -172.7 | 0 | 0 | 0 | 0 | 111.6 | E990 K994 | E990-S992 PolarHBondContact O-N 2.88Å; S992-K994 PolarHBondContact O-N 3.31Å | ||
| 993 | I | 32 | Very low | 29.9 | Very low | 143.75 Ų | 143.75 | 138 Ų | 138 | 74% | 0.737 | 77% | 0.77 | S | S | * | * | trans | -149.5 | 115.6 | 152 | -68 | 176.9 | 0 | 0 | 0 | 111.1 | C991 | C991-I993 PolarHBondContact O-N 2.9Š| ||
| 994 | K | 30.5 | Very low | 30.1 | Very low | 177.25 Ų | 177.25 | 139 Ų | 139 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | trans | 132.1 | 143.2 | 155.7 | -87.1 | 167.4 | 177.3 | -178 | 0 | 116 | S992 | S992-K994 PolarHBondContact O-N 3.31Š| ||
| 995 | D | 32.1 | Very low | 30.2 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | -145.7 | 145.6 | 55.6 | -80.3 | -33.9 | 0 | 0 | 0 | 114.4 | |||||
| 996 | M | 30.2 | Very low | 30.5 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 79% | 0.793 | 76% | 0.763 | S | S | * | * | trans | -133.8 | 145 | 154.1 | -84 | -91.1 | 83.6 | 0 | 0 | 112.1 | ||||
| 997 | L | 32 | Very low | 30.5 | Very low | 160.25 Ų | 160.25 | 137 Ų | 137 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | trans | -126 | 154.7 | 153 | -85.5 | 135.7 | 0 | 0 | 0 | 115.5 | ||||
| 998 | S | 28.8 | Very low | 30.4 | Very low | 103.75 Ų | 103.75 | 141 Ų | 141 | 73% | 0.726 | 77% | 0.774 | S | S | * | * | trans | -137.2 | 141.5 | 173.3 | -169.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 999 | P | 32.8 | Very low | 30.4 | Very low | 116.5 Ų | 116.5 | 140.8 Ų | 140.8 | 76% | 0.756 | 78% | 0.777 | S | S | * | * | trans | -100.9 | 152.7 | -171.2 | 35.5 | -29.7 | 0 | 0 | 0 | 113.2 | ||||
| 1000 | Q | 29.7 | Very low | 30.3 | Very low | 188.75 Ų | 188.75 | 141.3 Ų | 141.3 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | trans | -139.8 | 139.2 | 159.1 | -130.3 | -169.6 | 11.1 | 0 | 0 | 112.9 | ||||
| 1001 | P | 30.5 | Very low | 30.5 | Very low | 112.6 Ų | 112.6 | 138.2 Ų | 138.2 | 73% | 0.731 | 77% | 0.769 | S | S | * | * | trans | -111.9 | 161 | -167.8 | 39.1 | -31.7 | 0 | 0 | 0 | 115.4 | ||||
| 1002 | C | 28.3 | Very low | 30.6 | Very low | 122.2 Ų | 122.2 | 141.9 Ų | 141.9 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -108.3 | 162.6 | 168.9 | -69.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1003 | P | 33.8 | Very low | 30.8 | Very low | 118.4 Ų | 118.4 | 143 Ų | 143 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -116.2 | 171.2 | 167 | 21.2 | -1.2 | 0 | 0 | 0 | 115.4 | ||||
| 1004 | P | 35.4 | Very low | 30.8 | Very low | 112.8 Ų | 112.8 | 142 Ų | 142 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | trans | -104.7 | 163.9 | -168.6 | 39.3 | -33.1 | 0 | 0 | 0 | 115.2 | ||||
| 1005 | H | 31.1 | Very low | 30.9 | Very low | 179.2 Ų | 179.2 | 142.5 Ų | 142.5 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | trans | 175.2 | 153.6 | 164.8 | -91.7 | -63.7 | 0 | 0 | 0 | 114.6 | ||||
| 1006 | P | 33.9 | Very low | 30.7 | Very low | 106.2 Ų | 106.2 | 143.2 Ų | 143.2 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | -117.5 | 164.7 | -99.8 | 36.9 | -25.3 | 0 | 0 | 0 | 114.4 | |||||
| 1007 | T | 29.8 | Very low | 30.9 | Very low | 122.6 Ų | 122.6 | 141 Ų | 141 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -94.2 | 127.3 | 159.7 | -27.4 | 0 | 0 | 0 | 0 | 115.9 | L1009 | T1007-L1009 PolarHBondContact O-N 3.32Š| ||
| 1008 | Y | 28.8 | Very low | 30.7 | Very low | 220.4 Ų | 220.4 | 139.7 Ų | 139.7 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -89.3 | 145.7 | 146.7 | -94.2 | -91.5 | 0 | 0 | 0 | 113.6 | ||||
| 1009 | L | 28.9 | Very low | 30.7 | Very low | 145.4 Ų | 145.4 | 140.6 Ų | 140.6 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | trans | -147.5 | 133.8 | 166.4 | -96.3 | 163.2 | 0 | 0 | 0 | 113.3 | T1007 T1011 | T1007-L1009 PolarHBondContact O-N 3.32Å; L1009-T1011 HydrophobicContact CD2-CG2 4.17Å | ||
| 1010 | N | 27.9 | Very low | 30.4 | Very low | 143.4 Ų | 143.4 | 140.1 Ų | 140.1 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | trans | -154.3 | 126.9 | 156.7 | -147.8 | -1.8 | 0 | 0 | 0 | 111.6 | K1012 | N1010-K1012 PolarHBondContact O-N 3.5Š| ||
| 1011 | T | 30.2 | Very low | 30.4 | Very low | 113.6 Ų | 113.6 | 138.2 Ų | 138.2 | 70% | 0.697 | 77% | 0.773 | S | S | * | * | trans | -153.4 | 126.9 | 153.9 | 48.3 | 0 | 0 | 0 | 0 | 113.9 | L1009 | L1009-T1011 HydrophobicContact CD2-CG2 4.17Š| ||
| 1012 | K | 29.7 | Very low | 30.2 | Very low | 188.8 Ų | 188.8 | 138.5 Ų | 138.5 | 82% | 0.821 | 77% | 0.772 | S | S | * | * | trans | -128.7 | 134.8 | 155.3 | -85.4 | 168.4 | -179.7 | 177.4 | 0 | 112.5 | N1010 | N1010-K1012 PolarHBondContact O-N 3.5Š| ||
| 1013 | T | 30.4 | Very low | 30.2 | Very low | 129.4 Ų | 129.4 | 139.2 Ų | 139.2 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | 134.5 | 134.3 | 146.3 | 46.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1014 | T | 32.2 | Very low | 30 | Very low | 122.4 Ų | 122.4 | 141.4 Ų | 141.4 | 75% | 0.751 | 77% | 0.773 | S | S | * | * | -151.2 | 132.3 | 56.5 | 25.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1015 | K | 31.8 | Very low | 29.6 | Very low | 188.6 Ų | 188.6 | 140.2 Ų | 140.2 | 82% | 0.82 | 77% | 0.767 | S | S | * | * | trans | 51.9 | 116.1 | 135.7 | -69.1 | 178.8 | 178.3 | -177.7 | 0 | 117.4 | ||||
| 1016 | N | 29 | Very low | 29.4 | Very low | 150.4 Ų | 150.4 | 140.6 Ų | 140.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 47.6 | 155.4 | 140.3 | -68.4 | 4.3 | 0 | 0 | 0 | 116 | ||||
| 1017 | P | 33.4 | Very low | 29.1 | Very low | 115.2 Ų | 115.2 | 141.8 Ų | 141.8 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | cis | -116.6 | 164.1 | 4.3 | 30.1 | -16.9 | 0 | 0 | 0 | 113.7 | V1019 | P1017-V1019 PolarHBondContact O-N 3.37Š| ||
| 1018 | V | 29.2 | Very low | 29.1 | Very low | 132.8 Ų | 132.8 | 142.7 Ų | 142.7 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | trans | 45 | 118.5 | 146.5 | 179.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 1019 | V | 28.1 | Very low | 28.9 | Very low | 123.6 Ų | 123.6 | 140.9 Ų | 140.9 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | -103.1 | 123.4 | 139.9 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | P1017 L1021 | P1017-V1019 PolarHBondContact O-N 3.37Å; V1019-L1021 HydrophobicContact CG1-CB 4.14Å; V1019-L1021 HydrophobicContact CG1-CD1 4.22Å; V1019-L1021 PolarHBondContact O-N 2.99Å | ||
| 1020 | S | 27.3 | Very low | 28.8 | Very low | 105.8 Ų | 105.8 | 138.9 Ų | 138.9 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | trans | -133.5 | 122 | 160.3 | 50.5 | 0 | 0 | 0 | 0 | 109.2 | T1022 | S1020-T1022 VanDerWaalsContact C-N 3.26Å; S1020-T1022 PolarHBondContact O-N 2.8Å | ||
| 1021 | L | 27.8 | Very low | 28.7 | Very low | 148 Ų | 148 | 138 Ų | 138 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | 165.8 | 114.8 | 124.2 | -120.9 | 146.4 | 0 | 0 | 0 | 109.8 | V1019 D1023 | V1019-L1021 HydrophobicContact CG1-CB 4.14Å; V1019-L1021 HydrophobicContact CG1-CD1 4.22Å; V1019-L1021 PolarHBondContact O-N 2.99Å; L1021-D1023 WeakPolarHBondContact CD2-OD2 3.39Å; L1021-D1023 PolarHBondContact O-N 3.31Å | |||
| 1022 | T | 27.9 | Very low | 28.5 | Very low | 118.6 Ų | 118.6 | 139 Ų | 139 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | trans | -89.1 | 117.5 | 163.8 | 57.4 | 0 | 0 | 0 | 0 | 112.1 | S1020 | S1020-T1022 VanDerWaalsContact C-N 3.26Å; S1020-T1022 PolarHBondContact O-N 2.8Å | ||
| 1023 | D | 28.2 | Very low | 28.4 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | 175.8 | 129.6 | 157.8 | -74.4 | -39 | 0 | 0 | 0 | 115.2 | L1021 | L1021-D1023 WeakPolarHBondContact CD2-OD2 3.39Å; L1021-D1023 PolarHBondContact O-N 3.31Å | ||
| 1024 | L | 29.6 | Very low | 28.2 | Very low | 164.4 Ų | 164.4 | 134.4 Ų | 134.4 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | trans | 165.7 | 117.5 | 132.4 | -86.6 | 170.8 | 0 | 0 | 0 | 112.7 | F1026 | L1024-F1026 HydrophobicContact CB-CD2 4.43Å; L1024-F1026 HydrophobicContact CB-CE2 4.12Å | ||
| 1025 | S | 26.4 | Very low | 28.1 | Very low | 87.6 Ų | 87.6 | 133.7 Ų | 133.7 | 61% | 0.613 | 75% | 0.746 | S | S | * | * | trans | -98.9 | 156.1 | 162.9 | 151.2 | 0 | 0 | 0 | 0 | 113.7 | D1027 | S1025-D1027 VanDerWaalsContact C-N 3.29Å; S1025-D1027 WeakPolarHBondContact CB-OD2 3.39Å | ||
| 1026 | F | 27.7 | Very low | 27.9 | Very low | 186.4 Ų | 186.4 | 132.3 Ų | 132.3 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | 177.4 | 119 | 158 | -81.8 | -78.6 | 0 | 0 | 0 | 113.4 | L1024 | L1024-F1026 HydrophobicContact CB-CD2 4.43Å; L1024-F1026 HydrophobicContact CB-CE2 4.12Å | ||
| 1027 | D | 27.6 | Very low | 27.8 | Very low | 131.4 Ų | 131.4 | 129.4 Ų | 129.4 | 70% | 0.703 | 74% | 0.739 | S | S | * | * | trans | -106.2 | 150.6 | -174.5 | -89 | -44 | 0 | 0 | 0 | 112.7 | S1025 | S1025-D1027 VanDerWaalsContact C-N 3.29Å; S1025-D1027 WeakPolarHBondContact CB-OD2 3.39Å | ||
| 1028 | H | 28.1 | Very low | 27.6 | Very low | 143.4 Ų | 143.4 | 130.2 Ų | 130.2 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | 112.9 | 103.3 | 109.7 | -123.6 | -76.7 | 0 | 0 | 0 | 114.3 | T1030 | H1028-T1030 PolarHBondContact CE1-OG1 3.19Š| |||
| 1029 | F | 25.8 | Very low | 27.5 | Very low | 182.4 Ų | 182.4 | 130.7 Ų | 130.7 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | trans | -160.8 | 102.6 | 139.8 | -98.5 | -83.8 | 0 | 0 | 0 | 112.7 | V1031 | F1029-V1031 PolarHBondContact O-N 2.97Š| ||
| 1030 | T | 25.5 | Very low | 27.4 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 63% | 0.626 | 74% | 0.736 | S | S | * | * | trans | -95.6 | 137 | 162.2 | 36.8 | 0 | 0 | 0 | 0 | 109.5 | H1028 D1032 | H1028-T1030 PolarHBondContact CE1-OG1 3.19Å; T1030-D1032 PolarHBondContact OG1-OD2 3.27Å; T1030-D1032 VanDerWaalsContact OG1-OD2 3.06Å | ||
| 1031 | V | 27.7 | Very low | 27.3 | Very low | 125.4 Ų | 125.4 | 130.6 Ų | 130.6 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | trans | -119.6 | 102.9 | 150.3 | -179 | 0 | 0 | 0 | 0 | 108.8 | F1029 V1033 | F1029-V1031 PolarHBondContact O-N 2.97Å; V1031-V1033 HydrophobicContact CG1-CG2 4Å; V1031-V1033 PolarHBondContact O-N 3.33Å; V1031-V1033 VanDerWaalsContact O-N 3.1Å | ||
| 1032 | D | 24.9 | Very low | 27.3 | Very low | 135.4 Ų | 135.4 | 128.6 Ų | 128.6 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | trans | -70.9 | 133.7 | 151 | -82.4 | -45.7 | 0 | 0 | 0 | 114.5 | T1030 S1034 | T1030-D1032 PolarHBondContact OG1-OD2 3.27Å; T1030-D1032 VanDerWaalsContact OG1-OD2 3.06Å; D1032-S1034 PolarHBondContact O-N 2.6Å; D1032-S1034 VanDerWaalsContact O-N 3.15Å | ||
| 1033 | V | 28 | Very low | 27.2 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 71% | 0.709 | 74% | 0.741 | S | S | * | * | trans | -68.1 | 112.8 | 150.4 | 177.3 | 0 | 0 | 0 | 0 | 112.6 | V909 V1031 S1035 | V909-V1033 HydrophobicContact CG2-CG1 3.9Å; V1031-V1033 HydrophobicContact CG1-CG2 4Å; V1031-V1033 PolarHBondContact O-N 3.33Å; V1031-V1033 VanDerWaalsContact O-N 3.1Å; V1033-S1035 PolarHBondContact O-N 3.46Å | ||
| 1034 | S | 26.9 | Very low | 27.4 | Very low | 103.8 Ų | 103.8 | 130.2 Ų | 130.2 | 73% | 0.726 | 74% | 0.74 | S | S | * | * | trans | -76.5 | 140.1 | 170.8 | -23.6 | 0 | 0 | 0 | 0 | 114.3 | D1032 N1036 | D1032-S1034 PolarHBondContact O-N 2.6Å; D1032-S1034 VanDerWaalsContact O-N 3.15Å; S1034-N1036 PolarHBondContact O-N 3.34Å | ||
| 1035 | S | 28.6 | Very low | 27.3 | Very low | 107.8 Ų | 107.8 | 127.2 Ų | 127.2 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | trans | -87.6 | 137.7 | 152.9 | 14.6 | 0 | 0 | 0 | 0 | 112.5 | V1033 S1037 | V1033-S1035 PolarHBondContact O-N 3.46Å; S1035-S1037 PolarHBondContact O-N 3.18Å | ||
| 1036 | N | 28.3 | Very low | 27.3 | Very low | 158.2 Ų | 158.2 | 133 Ų | 133 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | trans | -110.6 | 131.9 | 156.2 | -90.1 | -21.4 | 0 | 0 | 0 | 111.4 | S1034 N1038 | S1034-N1036 PolarHBondContact O-N 3.34Å; N1036-N1038 PolarHBondContact O-N 3.19Å; N1036-N1038 VanDerWaalsContact O-N 3.14Å | ||
| 1037 | S | 26.6 | Very low | 27.3 | Very low | 91.2 Ų | 91.2 | 129.1 Ų | 129.1 | 64% | 0.638 | 74% | 0.738 | S | S | * | * | trans | -109.1 | 125.1 | 160 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | S1035 | S1035-S1037 PolarHBondContact O-N 3.18Š| ||
| 1038 | N | 28.8 | Very low | 27.3 | Very low | 131.2 Ų | 131.2 | 128.5 Ų | 128.5 | 70% | 0.702 | 74% | 0.739 | S | S | * | * | trans | -178.7 | 126.6 | 149.3 | -69.7 | -22.3 | 0 | 0 | 0 | 113.1 | L809 N1036 C1040 | L809-N1038 WeakPolarHBondContact CD2-OD1 3.29Å; L809-N1038 WeakPolarHBondContact CG-OD1 3.15Å; N1036-N1038 PolarHBondContact O-N 3.19Å; N1036-N1038 VanDerWaalsContact O-N 3.14Å; N1038-C1040 PolarHBondContact O-N 3Å | ||
| 1039 | I | 27.4 | Very low | 27.4 | Very low | 143.6 Ų | 143.6 | 128.8 Ų | 128.8 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | 69.4 | 104.3 | 118.7 | -61.3 | 163.5 | 0 | 0 | 0 | 113 | |||||
| 1040 | C | 25.8 | Very low | 27.5 | Very low | 119.2 Ų | 119.2 | 125.6 Ų | 125.6 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | trans | -60.1 | 117.2 | 152.3 | -112.9 | 0 | 0 | 0 | 0 | 112.5 | N1038 S1042 | N1038-C1040 PolarHBondContact O-N 3Å; C1040-S1042 PolarHBondContact O-N 3.14Å | ||
| 1041 | S | 25.8 | Very low | 27.7 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | -117.9 | 127.9 | 128 | 11.7 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 1042 | S | 27.8 | Very low | 27.8 | Very low | 107.6 Ų | 107.6 | 129.7 Ų | 129.7 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | trans | -164.7 | 124.8 | 154.2 | 59 | 0 | 0 | 0 | 0 | 112.4 | C1040 P1044 | C1040-S1042 PolarHBondContact O-N 3.14Å; S1042-P1044 VanDerWaalsContact O-CD 3.31Å; S1042-P1044 WeakPolarHBondContact O-CD 3.18Å | ||
| 1043 | E | 26.2 | Very low | 28 | Very low | 178.8 Ų | 178.8 | 127.7 Ų | 127.7 | 84% | 0.836 | 74% | 0.736 | S | S | * | * | trans | -85.5 | 143.5 | 153.8 | -79.9 | -176.8 | 150.8 | 0 | 0 | 111.7 | K1894 | E1043-K1894 IonicContact OE2-NZ 3.61Å; E1043-K1894 PolarHBondContact OE2-NZ 3.39Å | ||
| 1044 | P | 32.3 | Very low | 28.1 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | trans | -111.8 | 137.1 | 160.8 | 30.1 | -17.4 | 0 | 0 | 0 | 111.9 | S1042 Y1046 | S1042-P1044 VanDerWaalsContact O-CD 3.31Å; S1042-P1044 WeakPolarHBondContact O-CD 3.18Å; P1044-Y1046 PolarHBondContact O-N 2.96Å | ||
| 1045 | S | 27.1 | Very low | 28.2 | Very low | 101.4 Ų | 101.4 | 131.1 Ų | 131.1 | 71% | 0.709 | 75% | 0.748 | S | S | * | * | trans | -139.5 | 126.1 | 140.6 | -24.4 | 0 | 0 | 0 | 0 | 109.3 | S1047 K1894 | S1045-S1047 VanDerWaalsContact C-N 3.29Å; S1045-S1047 PolarHBondContact O-N 3.37Å; S1045-K1894 PolarHBondContact OG-NZ 3.04Å | ||
| 1046 | Y | 26.3 | Very low | 28.2 | Very low | 208.4 Ų | 208.4 | 135 Ų | 135 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | trans | -39.9 | 122.6 | 138.9 | -99.6 | -84.2 | 0 | 0 | 0 | 112.9 | P1044 V1048 A1271 | P1044-Y1046 PolarHBondContact O-N 2.96Å; Y1046-V1048 HydrophobicContact CD1-CG2 4.07Å; Y1046-A1271 HydrophobicContact CE1-CB 4.23Å | ||
| 1047 | S | 27.8 | Very low | 28.3 | Very low | 104.6 Ų | 104.6 | 132.4 Ų | 132.4 | 73% | 0.731 | 74% | 0.743 | S | S | * | * | trans | -158.9 | 124.1 | 165.3 | 49.8 | 0 | 0 | 0 | 0 | 109.7 | S1045 I1049 | S1045-S1047 VanDerWaalsContact C-N 3.29Å; S1045-S1047 PolarHBondContact O-N 3.37Å; S1047-I1049 PolarHBondContact O-N 3.47Å | ||
| 1048 | V | 28.2 | Very low | 28.4 | Very low | 118.4 Ų | 118.4 | 135.9 Ų | 135.9 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | -41.9 | 124.2 | 75.7 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | Y1046 | Y1046-V1048 HydrophobicContact CD1-CG2 4.07Š| |||
| 1049 | I | 29.8 | Very low | 28.4 | Very low | 150.4 Ų | 150.4 | 135.5 Ų | 135.5 | 77% | 0.771 | 75% | 0.752 | S | S | * | * | trans | -115.8 | 129.9 | 144.5 | -64.1 | 168.2 | 0 | 0 | 0 | 110.7 | S1047 K1051 | S1047-I1049 PolarHBondContact O-N 3.47Å; I1049-K1051 PolarHBondContact O-N 3.49Å; I1049-K1051 VanDerWaalsContact O-N 3.13Å | ||
| 1050 | D | 28.5 | Very low | 28.4 | Very low | 115.2 Ų | 115.2 | 136.9 Ų | 136.9 | 62% | 0.616 | 76% | 0.757 | S | S | * | * | -93.2 | 151.5 | 124.2 | -100.9 | -27 | 0 | 0 | 0 | 113.8 | I1052 | D1050-I1052 HydrophobicContact CB-CD1 4.04Å; D1050-I1052 HydrophobicContact CB-CG1 4.42Å; D1050-I1052 PolarHBondContact O-N 2.89Å | |||
| 1051 | K | 28.4 | Very low | 28.5 | Very low | 164.2 Ų | 164.2 | 138.1 Ų | 138.1 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | trans | -107.6 | 124.2 | 152.8 | -73.6 | -177.8 | -175.5 | 138.5 | 0 | 111.2 | I1049 S1053 | I1049-K1051 PolarHBondContact O-N 3.49Å; I1049-K1051 VanDerWaalsContact O-N 3.13Å; K1051-S1053 PolarHBondContact O-N 2.85Å | ||
| 1052 | I | 29.8 | Very low | 28.6 | Very low | 148.4 Ų | 148.4 | 138.2 Ų | 138.2 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | 123.2 | 119.9 | 125 | -73 | 161 | 0 | 0 | 0 | 110.3 | D1050 N1054 | D1050-I1052 HydrophobicContact CB-CD1 4.04Å; D1050-I1052 HydrophobicContact CB-CG1 4.42Å; D1050-I1052 PolarHBondContact O-N 2.89Å; I1052-N1054 PolarHBondContact O-N 3.1Å | |||
| 1053 | S | 30.6 | Very low | 28.7 | Very low | 93.6 Ų | 93.6 | 141.4 Ų | 141.4 | 66% | 0.655 | 76% | 0.759 | S | S | * | * | -55 | 132.5 | 124 | 55.9 | 0 | 0 | 0 | 0 | 115.3 | K1051 T1055 | K1051-S1053 PolarHBondContact O-N 2.85Å; S1053-T1055 PolarHBondContact O-N 3.49Å; S1053-T1055 PolarHBondContact O-OG1 2.84Å | |||
| 1054 | N | 28.1 | Very low | 28.8 | Very low | 157.4 Ų | 157.4 | 140 Ų | 140 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | -48.4 | 109.2 | 120.5 | -73.9 | -35.9 | 0 | 0 | 0 | 114.5 | I1052 | I1052-N1054 PolarHBondContact O-N 3.1Š| |||
| 1055 | T | 31.1 | Very low | 28.5 | Very low | 135.2 Ų | 135.2 | 140.4 Ų | 140.4 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | -128.8 | 139.6 | 134.3 | 25.3 | 0 | 0 | 0 | 0 | 109.8 | S1053 P1057 | S1053-T1055 PolarHBondContact O-N 3.49Å; S1053-T1055 PolarHBondContact O-OG1 2.84Å; T1055-P1057 VanDerWaalsContact O-N 3.16Å | ||
| 1056 | K | 27.8 | Very low | 28.6 | Very low | 190.2 Ų | 190.2 | 143.7 Ų | 143.7 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | -90.3 | 160.7 | 163.8 | -109.1 | -174.4 | 175.8 | -173.8 | 0 | 110 | E1058 | K1056-E1058 PolarHBondContact O-N 2.59Š| ||
| 1057 | P | 30.9 | Very low | 28.8 | Very low | 103.6 Ų | 103.6 | 141 Ų | 141 | 67% | 0.673 | 76% | 0.757 | S | S | * | * | cis | -114.3 | 163.6 | 21.9 | 37.7 | -26.9 | 0 | 0 | 0 | 113.9 | T1055 T1059 | T1055-P1057 VanDerWaalsContact O-N 3.16Å; P1057-T1059 PolarHBondContact O-N 2.92Å | ||
| 1058 | E | 28.4 | Very low | 28.9 | Very low | 164.6 Ų | 164.6 | 146 Ų | 146 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | 4.6 | 117.7 | 147.1 | -85.1 | 153 | -156.1 | 0 | 0 | 115.6 | K1056 M1060 | K1056-E1058 PolarHBondContact O-N 2.59Å; E1058-M1060 PolarHBondContact O-N 3.14Å | ||
| 1059 | T | 27.6 | Very low | 28.9 | Very low | 122.8 Ų | 122.8 | 146.5 Ų | 146.5 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | 15.7 | 124.5 | 129.5 | 52.3 | 0 | 0 | 0 | 0 | 114.3 | P1057 N1061 | P1057-T1059 PolarHBondContact O-N 2.92Å; T1059-N1061 VanDerWaalsContact C-N 3.31Å; T1059-N1061 PolarHBondContact O-N 3.31Å; T1059-N1061 VanDerWaalsContact O-N 3.11Å | |||
| 1060 | M | 29 | Very low | 28.9 | Very low | 173.8 Ų | 173.8 | 146.3 Ų | 146.3 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | trans | -133.3 | 116.5 | 159.7 | -93.2 | -69.5 | 143.1 | 0 | 0 | 110 | E1058 S1062 | E1058-M1060 PolarHBondContact O-N 3.14Å; M1060-S1062 PolarHBondContact O-N 2.94Å | ||
| 1061 | N | 26.6 | Very low | 28.9 | Very low | 143.4 Ų | 143.4 | 150.6 Ų | 150.6 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | trans | -76.8 | 120.9 | 158.8 | -74.9 | -36.4 | 0 | 0 | 0 | 109.7 | T1059 H1063 | T1059-N1061 VanDerWaalsContact C-N 3.31Å; T1059-N1061 PolarHBondContact O-N 3.31Å; T1059-N1061 VanDerWaalsContact O-N 3.11Å; N1061-H1063 VanDerWaalsContact C-N 3.28Å; N1061-H1063 PolarHBondContact O-N 2.93Å | ||
| 1062 | S | 29.3 | Very low | 29.1 | Very low | 109.6 Ų | 109.6 | 148.5 Ų | 148.5 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | trans | -146.8 | 127.6 | 148.5 | 60.7 | 0 | 0 | 0 | 0 | 109.8 | M1060 L1064 | M1060-S1062 PolarHBondContact O-N 2.94Å; S1062-L1064 PolarHBondContact O-N 3.45Å | ||
| 1063 | H | 28.6 | Very low | 29.1 | Very low | 174.4 Ų | 174.4 | 146.9 Ų | 146.9 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | trans | -73.3 | 140.7 | 149.8 | -70 | -87.6 | 0 | 0 | 0 | 110.4 | N1061 C1065 | N1061-H1063 VanDerWaalsContact C-N 3.28Å; N1061-H1063 PolarHBondContact O-N 2.93Å; H1063-C1065 PolarHBondContact O-N 3.43Å | ||
| 1064 | L | 27.6 | Very low | 29.1 | Very low | 150 Ų | 150 | 151.1 Ų | 151.1 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -142.4 | 113.9 | 148 | -135.3 | 65.2 | 0 | 0 | 0 | 110.7 | S1062 K1066 | S1062-L1064 PolarHBondContact O-N 3.45Å; L1064-K1066 HydrophobicContact CB-CB 4.43Å; L1064-K1066 HydrophobicContact CD1-CD 4.17Å; L1064-K1066 HydrophobicContact CD1-CG 4.29Å; L1064-K1066 HydrophobicContact CD2-CB 4.39Å; L1064-K1066 HydrophobicContact CD2-CD 3.75Å; L1064-K1066 HydrophobicContact CD2-CG 4.3Å; L1064-K1066 HydrophobicContact CG-CB 3.92Å; L1064-K1066 HydrophobicContact CG-CD 3.74Å; L1064-K1066 HydrophobicContact CG-CG 3.77Å; L1064-K1066 PolarHBondContact O-N 3.36Å | ||
| 1065 | C | 26.6 | Very low | 29.3 | Very low | 118.2 Ų | 118.2 | 149.5 Ų | 149.5 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -94.1 | 126.9 | 144.1 | -162.3 | 0 | 0 | 0 | 0 | 110.2 | H1063 Q1067 | H1063-C1065 PolarHBondContact O-N 3.43Å; C1065-Q1067 PolarHBondContact O-N 3.41Å; C1065-Q1067 VanDerWaalsContact O-N 3.13Å | ||
| 1066 | K | 29.6 | Very low | 29.4 | Very low | 171.8 Ų | 171.8 | 150.7 Ų | 150.7 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | trans | -119.1 | 122.7 | 170.8 | -73.9 | -179.2 | -178.6 | 176.9 | 0 | 108.8 | L1064 Y1068 | L1064-K1066 HydrophobicContact CB-CB 4.43Å; L1064-K1066 HydrophobicContact CD1-CD 4.17Å; L1064-K1066 HydrophobicContact CD1-CG 4.29Å; L1064-K1066 HydrophobicContact CD2-CB 4.39Å; L1064-K1066 HydrophobicContact CD2-CD 3.75Å; L1064-K1066 HydrophobicContact CD2-CG 4.3Å; L1064-K1066 HydrophobicContact CG-CB 3.92Å; L1064-K1066 HydrophobicContact CG-CD 3.74Å; L1064-K1066 HydrophobicContact CG-CG 3.77Å; L1064-K1066 PolarHBondContact O-N 3.36Å; K1066-Y1068 PolarHBondContact O-N 3.48Å | ||
| 1067 | Q | 29.8 | Very low | 29.6 | Very low | 151.8 Ų | 151.8 | 148.9 Ų | 148.9 | 71% | 0.709 | 77% | 0.769 | S | S | * | * | 41 | 118.9 | 124.6 | -157.8 | 168.7 | -14.6 | 0 | 0 | 111.3 | C1065 D1069 | C1065-Q1067 PolarHBondContact O-N 3.41Å; C1065-Q1067 VanDerWaalsContact O-N 3.13Å; Q1067-D1069 HydrophobicContact CB-CB 4.49Å; Q1067-D1069 HydrophobicContact CG-CB 3.96Å; Q1067-D1069 VanDerWaalsContact CG-CB 3.48Å; Q1067-D1069 WeakPolarHBondContact CG-OD2 3.2Å; Q1067-D1069 PolarHBondContact NE2-OD2 3.36Å; Q1067-D1069 PolarHBondContact O-N 3.01Å | |||
| 1068 | Y | 30.1 | Very low | 29.6 | Very low | 208 Ų | 208 | 146.6 Ų | 146.6 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | trans | -101 | 127.7 | 158.7 | -76.2 | -83.9 | 0 | 0 | 0 | 109.5 | K1066 I1070 | K1066-Y1068 PolarHBondContact O-N 3.48Å; Y1068-I1070 HydrophobicContact CD1-CD1 4.25Å; Y1068-I1070 HydrophobicContact CD1-CG1 3.62Å; Y1068-I1070 HydrophobicContact CE1-CG1 4.32Å; Y1068-I1070 HydrophobicContact CG-CG1 4.18Å; Y1068-I1070 PolarHBondContact O-N 3.22Å | ||
| 1069 | D | 27.9 | Very low | 29.9 | Very low | 129.6 Ų | 129.6 | 147.6 Ų | 147.6 | 69% | 0.693 | 77% | 0.769 | S | S | * | * | cis | -149.1 | 136.1 | -0.5 | -132.7 | -22.1 | 0 | 0 | 0 | 111.1 | Q1067 R1071 | Q1067-D1069 HydrophobicContact CB-CB 4.49Å; Q1067-D1069 HydrophobicContact CG-CB 3.96Å; Q1067-D1069 VanDerWaalsContact CG-CB 3.48Å; Q1067-D1069 WeakPolarHBondContact CG-OD2 3.2Å; Q1067-D1069 PolarHBondContact NE2-OD2 3.36Å; Q1067-D1069 PolarHBondContact O-N 3.01Å; D1069-R1071 PolarHBondContact O-N 3.31Å; D1069-R1071 WeakPolarHBondContact OD1-CB 3.22Å | ||
| 1070 | I | 30.9 | Very low | 30.1 | Very low | 146.6 Ų | 146.6 | 150.5 Ų | 150.5 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -113.4 | 95.9 | 170.8 | -56.5 | 175.7 | 0 | 0 | 0 | 110.9 | Y1068 P1072 | Y1068-I1070 HydrophobicContact CD1-CD1 4.25Å; Y1068-I1070 HydrophobicContact CD1-CG1 3.62Å; Y1068-I1070 HydrophobicContact CE1-CG1 4.32Å; Y1068-I1070 HydrophobicContact CG-CG1 4.18Å; Y1068-I1070 PolarHBondContact O-N 3.22Å; I1070-P1072 WeakPolarHBondContact O-CD 3.16Å | ||
| 1071 | R | 27.3 | Very low | 30.2 | Very low | 205.4 Ų | 205.4 | 148.5 Ų | 148.5 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | -6.7 | 134.1 | 147.5 | -116.4 | 179.2 | 178.6 | -177.4 | 0.7 | 115.5 | D1069 T1073 | D1069-R1071 PolarHBondContact O-N 3.31Å; D1069-R1071 WeakPolarHBondContact OD1-CB 3.22Å; R1071-T1073 VanDerWaalsContact CD-OG1 3.31Å; R1071-T1073 WeakPolarHBondContact CD-OG1 3.5Å; R1071-T1073 PolarHBondContact NE-OG1 2.82Å; R1071-T1073 PolarHBondContact O-N 2.82Å; R1071-T1073 PolarHBondContact O-OG1 3.38Å | ||
| 1072 | P | 34.2 | Very low | 30.7 | Very low | 121 Ų | 121 | 146.9 Ų | 146.9 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | trans | -97.2 | 148.4 | 158.7 | 34.2 | -32.1 | 0 | 0 | 0 | 111.9 | I1070 Q1074 | I1070-P1072 WeakPolarHBondContact O-CD 3.16Å; P1072-Q1074 VanDerWaalsContact C-N 3.33Å; P1072-Q1074 PolarHBondContact O-N 3.32Å | ||
| 1073 | T | 29.7 | Very low | 30.6 | Very low | 113.2 Ų | 113.2 | 146.3 Ų | 146.3 | 69% | 0.694 | 76% | 0.762 | S | S | * | * | trans | -115.3 | 116.4 | 177.5 | -45.9 | 0 | 0 | 0 | 0 | 110.2 | R1071 V1075 | R1071-T1073 VanDerWaalsContact CD-OG1 3.31Å; R1071-T1073 WeakPolarHBondContact CD-OG1 3.5Å; R1071-T1073 PolarHBondContact NE-OG1 2.82Å; R1071-T1073 PolarHBondContact O-N 2.82Å; R1071-T1073 PolarHBondContact O-OG1 3.38Å; T1073-V1075 HydrophobicContact CG2-CG2 4Å; T1073-V1075 PolarHBondContact O-N 3.03Å; T1073-V1075 VanDerWaalsContact O-N 3.14Å | ||
| 1074 | Q | 30.7 | Very low | 30.6 | Very low | 181.6 Ų | 181.6 | 144.8 Ų | 144.8 | 85% | 0.849 | 76% | 0.76 | S | S | * | * | trans | -39 | 133.1 | 143 | -71.6 | 177.7 | 16.4 | 0 | 0 | 113.2 | P1072 M1076 | P1072-Q1074 VanDerWaalsContact C-N 3.33Å; P1072-Q1074 PolarHBondContact O-N 3.32Å; Q1074-M1076 PolarHBondContact O-N 2.64Å | ||
| 1075 | V | 32.4 | Very low | 30.7 | Very low | 125.4 Ų | 125.4 | 146.1 Ų | 146.1 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | trans | -141 | 136.1 | 144.5 | 159.2 | 0 | 0 | 0 | 0 | 109.4 | T1073 | T1073-V1075 HydrophobicContact CG2-CG2 4Å; T1073-V1075 PolarHBondContact O-N 3.03Å; T1073-V1075 VanDerWaalsContact O-N 3.14Å | ||
| 1076 | M | 33.2 | Very low | 30.9 | Very low | 160.4 Ų | 160.4 | 145.4 Ų | 145.4 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | 16.7 | 148.6 | 170.6 | -65.4 | -127.8 | 79.3 | 0 | 0 | 118.2 | Q1074 | Q1074-M1076 PolarHBondContact O-N 2.64Š| ||
| 1077 | D | 30.6 | Very low | 30.8 | Very low | 150.8 Ų | 150.8 | 145.5 Ų | 145.5 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | trans | -130.1 | 156.1 | 139.9 | -119.9 | -19.6 | 0 | 0 | 0 | 114.5 | ||||
| 1078 | G | 31.6 | Very low | 31.1 | Very low | 56.6 Ų | 56.6 | 146.7 Ų | 146.7 | 58% | 0.584 | 77% | 0.767 | S | S | * | * | trans | 111 | 129.8 | 142.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1079 | H | 35.5 | Very low | 31 | Very low | 184.6 Ų | 184.6 | 145.8 Ų | 145.8 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | 173.9 | 134.1 | 111 | -81.2 | -75.8 | 0 | 0 | 0 | 114.6 | |||||
| 1080 | K | 30.5 | Very low | 31.2 | Very low | 183.6 Ų | 183.6 | 146.5 Ų | 146.5 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | 70.7 | 117.9 | 110.1 | -100.9 | -176.1 | 178 | -178.1 | 0 | 116.2 | |||||
| 1081 | V | 32.3 | Very low | 31.2 | Very low | 133 Ų | 133 | 144 Ų | 144 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | 87.6 | 146.8 | 127.7 | 170.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1082 | P | 35.7 | Very low | 31.3 | Very low | 109.2 Ų | 109.2 | 142.5 Ų | 142.5 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | -132.5 | -179.5 | -70.8 | 41.5 | -25.8 | 0 | 0 | 0 | 116 | |||||
| 1083 | S | 27.8 | Very low | 31.1 | Very low | 96.8 Ų | 96.8 | 144.9 Ų | 144.9 | 68% | 0.677 | 77% | 0.769 | S | S | * | * | trans | 46.1 | 139.6 | 156.4 | 97.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 1084 | N | 28.7 | Very low | 31.1 | Very low | 143.2 Ų | 143.2 | 144.6 Ų | 144.6 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | trans | 167.8 | 134.9 | 138.6 | -69.4 | -26.5 | 0 | 0 | 0 | 115.1 | S1086 | N1084-S1086 PolarHBondContact O-N 3.48Š| ||
| 1085 | Q | 30.3 | Very low | 31 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | 76.7 | 138.6 | 113.9 | -72.3 | -171.6 | 8 | 0 | 0 | 116.8 | |||||
| 1086 | S | 30.4 | Very low | 30.9 | Very low | 104 Ų | 104 | 144 Ų | 144 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 63.1 | 119.5 | 168.4 | 58.1 | 0 | 0 | 0 | 0 | 117 | N1084 H1088 | N1084-S1086 PolarHBondContact O-N 3.48Å; S1086-H1088 PolarHBondContact O-N 3.06Å | ||
| 1087 | E | 28 | Very low | 30.7 | Very low | 174.2 Ų | 174.2 | 142 Ų | 142 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | 78.2 | 136 | 116 | -74.8 | 179.4 | 159.7 | 0 | 0 | 115.2 | |||||
| 1088 | H | 34.5 | Very low | 30.6 | Very low | 176.6 Ų | 176.6 | 140 Ų | 140 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | 165.9 | 122.1 | 148.2 | -84.4 | -70.7 | 0 | 0 | 0 | 113.3 | S1086 | S1086-H1088 PolarHBondContact O-N 3.06Š| ||
| 1089 | K | 28.9 | Very low | 30.5 | Very low | 189.8 Ų | 189.8 | 142.3 Ų | 142.3 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -100.3 | 125.9 | 143.7 | -152.5 | -170.8 | 176.9 | -178.5 | 0 | 111.7 | ||||
| 1090 | I | 32 | Very low | 30.1 | Very low | 144.4 Ų | 144.4 | 138.7 Ų | 138.7 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | -163.3 | 134.3 | 141.3 | -68.5 | 168.2 | 0 | 0 | 0 | 112.2 | E1092 | I1090-E1092 HydrophobicContact CG2-CG 4.39Š| ||
| 1091 | S | 31 | Very low | 30.1 | Very low | 94.2 Ų | 94.2 | 137.7 Ų | 137.7 | 66% | 0.659 | 78% | 0.777 | S | S | * | * | trans | 38.7 | 137.4 | 158.6 | -63.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1092 | E | 29 | Very low | 29.9 | Very low | 172.4 Ų | 172.4 | 135.5 Ų | 135.5 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | -159.2 | 144.2 | 73.8 | -92.5 | 156.2 | 160.1 | 0 | 0 | 113.9 | I1090 | I1090-E1092 HydrophobicContact CG2-CG 4.39Š| |||
| 1093 | M | 30.5 | Very low | 29.5 | Very low | 171.8 Ų | 171.8 | 135.9 Ų | 135.9 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -61.4 | 111.2 | 159 | -91.5 | 160.8 | 67.6 | 0 | 0 | 114.9 | ||||
| 1094 | S | 29.2 | Very low | 29.6 | Very low | 107.6 Ų | 107.6 | 137 Ų | 137 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -116.9 | 133.6 | 149.6 | 26.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1095 | E | 29.6 | Very low | 29.6 | Very low | 186.6 Ų | 186.6 | 134.7 Ų | 134.7 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | -135.6 | 133.4 | 161.1 | -69.6 | -178.1 | 165.8 | 0 | 0 | 111.4 | ||||
| 1096 | S | 29.8 | Very low | 29.7 | Very low | 106.2 Ų | 106.2 | 132.4 Ų | 132.4 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -151.1 | 126.2 | 138.5 | 70 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1097 | S | 29.5 | Very low | 29.6 | Very low | 119.6 Ų | 119.6 | 137.4 Ų | 137.4 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -166.2 | 125.7 | 151.6 | -20.9 | 0 | 0 | 0 | 0 | 113.7 | S1099 | S1097-S1099 PolarHBondContact O-N 3.24Š| ||
| 1098 | S | 28.3 | Very low | 29.7 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -21.9 | 136 | 148.3 | 67 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1099 | S | 29.1 | Very low | 29.4 | Very low | 103.6 Ų | 103.6 | 138.3 Ų | 138.3 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | trans | 158 | 136.8 | 166.8 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | S1097 I1101 | S1097-S1099 PolarHBondContact O-N 3.24Å; S1099-I1101 PolarHBondContact O-N 3.43Å | ||
| 1100 | S | 27.7 | Very low | 29.3 | Very low | 109.2 Ų | 109.2 | 134.2 Ų | 134.2 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | 68.5 | 143.4 | 117 | -54.9 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1101 | I | 29.2 | Very low | 29.3 | Very low | 163.4 Ų | 163.4 | 130.7 Ų | 130.7 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | 66.8 | 114.3 | 162.1 | -52 | 170 | 0 | 0 | 0 | 115.3 | S1099 | S1099-I1101 PolarHBondContact O-N 3.43Š| ||
| 1102 | A | 29.2 | Very low | 29.4 | Very low | 87.6 Ų | 87.6 | 133.3 Ų | 133.3 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | trans | 47 | 131.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | S1104 | A1102-S1104 PolarHBondContact O-N 3.49Š| ||
| 1103 | S | 26.8 | Very low | 29.4 | Very low | 116.6 Ų | 116.6 | 131.3 Ų | 131.3 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | 46.3 | 104.4 | 115.9 | 73.4 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1104 | S | 29.2 | Very low | 29.5 | Very low | 119.2 Ų | 119.2 | 129.7 Ų | 129.7 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -156.9 | 144.4 | 148.7 | 12.1 | 0 | 0 | 0 | 0 | 111.8 | A1102 | A1102-S1104 PolarHBondContact O-N 3.49Š| ||
| 1105 | S | 28.6 | Very low | 29.7 | Very low | 94.8 Ų | 94.8 | 129.2 Ų | 129.2 | 66% | 0.663 | 79% | 0.787 | S | S | * | * | trans | -86.3 | 151.9 | 178.3 | -54.1 | 0 | 0 | 0 | 0 | 112 | R1107 | S1105-R1107 VanDerWaalsContact C-N 3.34Å; S1105-R1107 PolarHBondContact O-N 3.07Å | ||
| 1106 | P | 32.5 | Very low | 29.7 | Very low | 130.2 Ų | 130.2 | 126.8 Ų | 126.8 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -76.7 | 106.6 | 161.8 | 30.8 | -31.6 | 0 | 0 | 0 | 109.5 | L1108 | P1106-L1108 PolarHBondContact O-N 3.35Å; P1106-L1108 VanDerWaalsContact O-N 3.08Å | ||
| 1107 | R | 28.8 | Very low | 29.8 | Very low | 209 Ų | 209 | 125.1 Ų | 125.1 | 79% | 0.789 | 79% | 0.789 | S | S | * | * | trans | -81.3 | 126.5 | 153.6 | -78.2 | -170.5 | 174.9 | -173.1 | 0.3 | 109.9 | S1105 F1109 E1529 | S1105-R1107 VanDerWaalsContact C-N 3.34Å; S1105-R1107 PolarHBondContact O-N 3.07Å; R1107-F1109 PolarHBondContact O-N 3.25Å; R1107-E1529 IonicContact CZ-OE1 3.73Å; R1107-E1529 IonicContact NH2-OE1 2.97Å; R1107-E1529 PolarHBondContact NH2-OE1 2.88Å; R1107-E1529 IonicContact NH2-OE2 3.9Å; R1107-E1529 PolarHBondContact NH2-OE2 3.47Å | ||
| 1108 | L | 29.4 | Very low | 30.1 | Very low | 152 Ų | 152 | 124.2 Ų | 124.2 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | trans | 15.5 | 126.2 | 153.5 | -70.1 | 171.2 | 0 | 0 | 0 | 113.8 | P1106 S1110 | P1106-L1108 PolarHBondContact O-N 3.35Å; P1106-L1108 VanDerWaalsContact O-N 3.08Å; L1108-S1110 PolarHBondContact O-N 2.82Å | ||
| 1109 | F | 28.3 | Very low | 30.1 | Very low | 216.2 Ų | 216.2 | 129.8 Ų | 129.8 | 95% | 0.948 | 79% | 0.787 | S | S | * | * | trans | -96.3 | 114.2 | 150.4 | -115.1 | -85.8 | 0 | 0 | 0 | 109.4 | R1107 | R1107-F1109 PolarHBondContact O-N 3.25Š| ||
| 1110 | S | 27.9 | Very low | 30.5 | Very low | 104.8 Ų | 104.8 | 133.1 Ų | 133.1 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | -126.1 | 97.7 | 175.7 | 75 | 0 | 0 | 0 | 0 | 109.9 | L1108 | L1108-S1110 PolarHBondContact O-N 2.82Š| ||
| 1111 | G | 32.3 | Very low | 30.6 | Very low | 71.2 Ų | 71.2 | 138.5 Ų | 138.5 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -124.4 | 100.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1112 | I | 31.8 | Very low | 30.7 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | trans | -113.1 | 124.8 | 146.6 | -75.7 | 171 | 0 | 0 | 0 | 109.8 | T1114 | I1112-T1114 HydrophobicContact CG2-CG2 3.88Å; I1112-T1114 PolarHBondContact O-N 3.12Å; I1112-T1114 VanDerWaalsContact O-N 3.1Å | ||
| 1113 | D | 30 | Very low | 30.9 | Very low | 131.4 Ų | 131.4 | 143.2 Ų | 143.2 | 70% | 0.703 | 80% | 0.801 | S | S | * | * | trans | -70.1 | 129.5 | 146.6 | -79.5 | -42 | 0 | 0 | 0 | 115.6 | S451 A1115 | S451-D1113 WeakPolarHBondContact CB-OD2 3.31Å; S451-D1113 PolarHBondContact OG-OD2 3.07Å; D1113-A1115 PolarHBondContact O-N 3.22Å | ||
| 1114 | T | 33 | Very low | 31.2 | Very low | 136.8 Ų | 136.8 | 143.5 Ų | 143.5 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -169 | 109.7 | 131.2 | 52.1 | 0 | 0 | 0 | 0 | 115 | I1112 | I1112-T1114 HydrophobicContact CG2-CG2 3.88Å; I1112-T1114 PolarHBondContact O-N 3.12Å; I1112-T1114 VanDerWaalsContact O-N 3.1Å | ||
| 1115 | A | 32.1 | Very low | 31.5 | Very low | 97.2 Ų | 97.2 | 143.6 Ų | 143.6 | 80% | 0.803 | 80% | 0.795 | S | S | * | * | trans | -144.7 | 124.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 112 | D1113 | D1113-A1115 PolarHBondContact O-N 3.22Š| ||
| 1116 | C | 30.3 | Very low | 31.7 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 92% | 0.919 | 80% | 0.796 | S | S | * | * | trans | 77.1 | 120 | 149 | -156.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1117 | G | 31.6 | Very low | 31.8 | Very low | 72 Ų | 72 | 143.8 Ų | 143.8 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 176.9 | 76.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | R1119 | G1117-R1119 PolarHBondContact O-N 3.25Š| ||
| 1118 | S | 35.1 | Very low | 32.1 | Very low | 100.4 Ų | 100.4 | 140.6 Ų | 140.6 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | trans | 30.2 | 111.5 | 158.7 | -178.3 | 0 | 0 | 0 | 0 | 119.3 | H1120 | S1118-H1120 PolarHBondContact O-N 2.97Š| ||
| 1119 | R | 29.6 | Very low | 32.2 | Very low | 226.6 Ų | 226.6 | 137.4 Ų | 137.4 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | 35.8 | 112.6 | 146.9 | -59.9 | 171.4 | 176.8 | -178.4 | -1 | 116.7 | G1117 | G1117-R1119 PolarHBondContact O-N 3.25Š| ||
| 1120 | H | 36.7 | Very low | 32.4 | Very low | 171.8 Ų | 171.8 | 137.5 Ų | 137.5 | 80% | 0.795 | 78% | 0.783 | S | S | * | * | -149.5 | 148.8 | 108.5 | -109.4 | -63.4 | 0 | 0 | 0 | 113.1 | S1118 C1122 | S1118-H1120 PolarHBondContact O-N 2.97Å; H1120-C1122 VanDerWaalsContact C-N 3.31Å; H1120-C1122 PolarHBondContact O-N 3.44Å | |||
| 1121 | R | 29.3 | Very low | 32.8 | Very low | 223.8 Ų | 223.8 | 137.5 Ų | 137.5 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -68.8 | 113.1 | 175.7 | -76.9 | 179.7 | -166.2 | -161.9 | -1.3 | 113.3 | R1123 | R1121-R1123 PolarHBondContact O-N 2.87Š| ||
| 1122 | C | 31.7 | Very low | 32.9 | Very low | 127.8 Ų | 127.8 | 142.2 Ų | 142.2 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -103.6 | 111.7 | 154.6 | -73.8 | 0 | 0 | 0 | 0 | 108.8 | H1120 T1124 | H1120-C1122 VanDerWaalsContact C-N 3.31Å; H1120-C1122 PolarHBondContact O-N 3.44Å; C1122-T1124 PolarHBondContact O-N 3.23Å | ||
| 1123 | R | 34.1 | Very low | 32.9 | Very low | 222.4 Ų | 222.4 | 140.3 Ų | 140.3 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | -36.7 | 114.8 | 129.1 | -81.3 | -169.7 | 172.2 | -163.7 | -0.9 | 111.6 | S838 R1121 P1125 | S838-R1123 PolarHBondContact OG-NH2 3.3Å; R1121-R1123 PolarHBondContact O-N 2.87Å; R1123-P1125 WeakPolarHBondContact O-CD 3.13Å; R1123-P1125 WeakPolarHBondContact O-CG 3.39Å | |||
| 1124 | T | 32.7 | Very low | 33.1 | Very low | 122.8 Ų | 122.8 | 139.2 Ų | 139.2 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -49.6 | 128.9 | 157 | 47.9 | 0 | 0 | 0 | 0 | 112.8 | C1122 S1126 | C1122-T1124 PolarHBondContact O-N 3.23Å; T1124-S1126 PolarHBondContact O-N 3.03Å | ||
| 1125 | P | 35.3 | Very low | 33.3 | Very low | 119.8 Ų | 119.8 | 137.3 Ų | 137.3 | 78% | 0.778 | 78% | 0.782 | S | S | * | * | trans | -86.4 | 105.6 | 163.9 | 18.1 | -9.4 | 0 | 0 | 0 | 109.7 | R1123 T1127 | R1123-P1125 WeakPolarHBondContact O-CD 3.13Å; R1123-P1125 WeakPolarHBondContact O-CG 3.39Å; P1125-T1127 PolarHBondContact O-N 3.41Å | ||
| 1126 | S | 32.9 | Very low | 33.7 | Very low | 97.4 Ų | 97.4 | 140.7 Ų | 140.7 | 68% | 0.681 | 78% | 0.783 | S | S | * | * | trans | -84.3 | 98.7 | 165.2 | 41.9 | 0 | 0 | 0 | 0 | 111.8 | T1124 I1128 | T1124-S1126 PolarHBondContact O-N 3.03Å; S1126-I1128 PolarHBondContact O-N 3.13Å | ||
| 1127 | T | 35.1 | Very low | 34.3 | Very low | 132.2 Ų | 132.2 | 142.3 Ų | 142.3 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -81.1 | 112.9 | 171.9 | -34.3 | 0 | 0 | 0 | 0 | 110.9 | P1125 | P1125-T1127 PolarHBondContact O-N 3.41Š| ||
| 1128 | I | 35.3 | Very low | 34.7 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | -113.6 | 135.2 | 163.7 | -72.6 | 169.7 | 0 | 0 | 0 | 108.1 | S1126 Y1130 | S1126-I1128 PolarHBondContact O-N 3.13Å; I1128-Y1130 HydrophobicContact CG2-CD2 4.31Å; I1128-Y1130 PolarHBondContact O-N 2.85Å | ||
| 1129 | A | 31.7 | Very low | 34.9 | Very low | 83.6 Ų | 83.6 | 147.6 Ų | 147.6 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | -66.1 | 127.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1131 | A1129-T1131 PolarHBondContact O-N 3.15Š| ||
| 1130 | Y | 32.8 | Very low | 35.5 | Very low | 219 Ų | 219 | 143.6 Ų | 143.6 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | -101.6 | 123.9 | 167.6 | -106.9 | -89.8 | 0 | 0 | 0 | 110.9 | I1128 | I1128-Y1130 HydrophobicContact CG2-CD2 4.31Å; I1128-Y1130 PolarHBondContact O-N 2.85Å | ||
| 1131 | T | 36.1 | Very low | 35.7 | Very low | 104.4 Ų | 104.4 | 144.2 Ų | 144.2 | 64% | 0.64 | 78% | 0.779 | S | S | * | * | trans | -110.9 | 154 | 178 | 48.8 | 0 | 0 | 0 | 0 | 111.7 | A1129 | A1129-T1131 PolarHBondContact O-N 3.15Š| ||
| 1132 | H | 33.6 | Very low | 36 | Very low | 168.8 Ų | 168.8 | 140.8 Ų | 140.8 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | -36.6 | 118.5 | 175.2 | -55.7 | -83.7 | 0 | 0 | 0 | 113.7 | R624 | R624-H1132 PolarHBondContact NH2-O 3.48Š| ||
| 1133 | S | 31.3 | Very low | 36.3 | Very low | 108.8 Ų | 108.8 | 140.2 Ų | 140.2 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | trans | -125.9 | 127.7 | 132.5 | -66.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1134 | S | 35.4 | Very low | 36.4 | Very low | 109.2 Ų | 109.2 | 134.5 Ų | 134.5 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | 157 | 109.3 | 155.4 | 38.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1135 | A | 36.2 | Very low | 36.4 | Very low | 96.8 Ų | 96.8 | 135.7 Ų | 135.7 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | 173.7 | 135.4 | 116.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1136 | M | 41.7 | Very low | 36.4 | Very low | 168.8 Ų | 168.8 | 136.6 Ų | 136.6 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -135.2 | 134.6 | 154.2 | -87.5 | 174.9 | -144 | 0 | 0 | 108.8 | ||||
| 1137 | E | 41.3 | Very low | 36.4 | Very low | 169.4 Ų | 169.4 | 137.8 Ų | 137.8 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | trans | -111.5 | 142 | 143.1 | -75.4 | 164.1 | 162.2 | 0 | 0 | 109.9 | N1139 | E1137-N1139 PolarHBondContact O-N 2.85Å; E1137-N1139 VanDerWaalsContact O-N 3.09Å | ||
| 1138 | D | 40.4 | Very low | 36.3 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | 2 | 141.1 | 164.9 | -52.6 | -39.8 | 0 | 0 | 0 | 116.8 | D1140 | D1138-D1140 VanDerWaalsContact C-N 3.35Å; D1138-D1140 PolarHBondContact O-N 3.24Å | ||
| 1139 | N | 40.1 | Very low | 36.2 | Very low | 147.6 Ų | 147.6 | 140.6 Ų | 140.6 | 79% | 0.789 | 78% | 0.777 | S | S | * | * | trans | -178 | 114.8 | 149.7 | -87.8 | -71.4 | 0 | 0 | 0 | 110.7 | E1137 E1141 | E1137-N1139 PolarHBondContact O-N 2.85Å; E1137-N1139 VanDerWaalsContact O-N 3.09Å; N1139-E1141 PolarHBondContact O-N 3.4Å; N1139-E1141 VanDerWaalsContact O-N 3.14Å | ||
| 1140 | D | 41.4 | Very low | 36.2 | Very low | 142.6 Ų | 142.6 | 147.2 Ų | 147.2 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | 5.1 | 126.5 | 147.8 | -55.2 | -38.8 | 0 | 0 | 0 | 116.7 | D1138 D1142 | D1138-D1140 VanDerWaalsContact C-N 3.35Å; D1138-D1140 PolarHBondContact O-N 3.24Å; D1140-D1142 PolarHBondContact O-N 3.26Å; D1140-D1142 VanDerWaalsContact O-N 3.13Å | ||
| 1141 | E | 41.4 | Very low | 36.4 | Very low | 183 Ų | 183 | 144.4 Ų | 144.4 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | -173.2 | 139.6 | 125.4 | -85.2 | -99.5 | 146.9 | 0 | 0 | 113.5 | N1139 S1143 | N1139-E1141 PolarHBondContact O-N 3.4Å; N1139-E1141 VanDerWaalsContact O-N 3.14Å; E1141-S1143 VanDerWaalsContact C-N 3.33Å; E1141-S1143 PolarHBondContact O-N 2.89Å | |||
| 1142 | D | 36.4 | Very low | 36.3 | Very low | 152.8 Ų | 152.8 | 145.5 Ų | 145.5 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | trans | -68.2 | 145.6 | 175.5 | -100.9 | -29.3 | 0 | 0 | 0 | 117.1 | D1140 | D1140-D1142 PolarHBondContact O-N 3.26Å; D1140-D1142 VanDerWaalsContact O-N 3.13Å | ||
| 1143 | S | 36.3 | Very low | 36.4 | Very low | 115.2 Ų | 115.2 | 143.5 Ų | 143.5 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | 177 | 142.2 | 144.4 | 51.4 | 0 | 0 | 0 | 0 | 115.1 | E1141 | E1141-S1143 VanDerWaalsContact C-N 3.33Å; E1141-S1143 PolarHBondContact O-N 2.89Å | ||
| 1144 | S | 36.3 | Very low | 36.5 | Very low | 104.2 Ų | 104.2 | 145.1 Ų | 145.1 | 73% | 0.729 | 78% | 0.78 | S | S | * | * | trans | -84 | 155.9 | -170.7 | 59.5 | 0 | 0 | 0 | 0 | 118.2 | V1146 | S1144-V1146 PolarHBondContact O-N 2.91Å; S1144-V1146 VanDerWaalsContact O-N 3.12Å | ||
| 1145 | D | 33.1 | Very low | 36.6 | Very low | 146.6 Ų | 146.6 | 147.3 Ų | 147.3 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | 50.9 | 150.2 | 143.6 | -80.5 | -43.1 | 0 | 0 | 0 | 118.7 | ||||
| 1146 | V | 36.7 | Very low | 36.5 | Very low | 138.2 Ų | 138.2 | 149.6 Ų | 149.6 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | -160.5 | 126 | 118.9 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | S1144 C1148 | S1144-V1146 PolarHBondContact O-N 2.91Å; S1144-V1146 VanDerWaalsContact O-N 3.12Å; V1146-C1148 PolarHBondContact O-N 3.43Å; V1146-C1148 VanDerWaalsContact O-N 3.09Å | |||
| 1147 | N | 32.9 | Very low | 36.3 | Very low | 124.2 Ų | 124.2 | 146.2 Ų | 146.2 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | trans | -95.9 | 134.5 | 178 | -172.2 | 4.6 | 0 | 0 | 0 | 114.4 | R1149 | N1147-R1149 VanDerWaalsContact OD1-CZ 3.24Å; N1147-R1149 PolarHBondContact OD1-NE 3.38Å; N1147-R1149 PolarHBondContact OD1-NH2 2.93Å | ||
| 1148 | C | 32.8 | Very low | 35.9 | Very low | 120.8 Ų | 120.8 | 145.5 Ų | 145.5 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | trans | -164.1 | 130.4 | 158.5 | -86.3 | 0 | 0 | 0 | 0 | 113.2 | V1146 | V1146-C1148 PolarHBondContact O-N 3.43Å; V1146-C1148 VanDerWaalsContact O-N 3.09Å | ||
| 1149 | R | 31.7 | Very low | 35.7 | Very low | 213.4 Ų | 213.4 | 144.2 Ų | 144.2 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | trans | -137.5 | 143.1 | 172.5 | -79.5 | 178.3 | 178.9 | -165.6 | -2.5 | 111.2 | N1147 | N1147-R1149 VanDerWaalsContact OD1-CZ 3.24Å; N1147-R1149 PolarHBondContact OD1-NE 3.38Å; N1147-R1149 PolarHBondContact OD1-NH2 2.93Å | ||
| 1150 | R | 33.3 | Very low | 35.4 | Very low | 222.4 Ų | 222.4 | 144.4 Ų | 144.4 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -155.8 | 144.4 | 142.9 | -83.1 | 176.5 | -160.9 | -177.4 | -0 | 111.1 | ||||
| 1151 | H | 36.7 | Very low | 35.1 | Very low | 159.8 Ų | 159.8 | 143 Ų | 143 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | -177 | 144.7 | 58.5 | -98 | -71.6 | 0 | 0 | 0 | 111.3 | |||||
| 1152 | D | 32.9 | Very low | 34.7 | Very low | 127.2 Ų | 127.2 | 141.6 Ų | 141.6 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | -108.1 | 163.3 | 168.2 | -76.1 | -66.4 | 0 | 0 | 0 | 113.8 | ||||
| 1153 | T | 37.1 | Very low | 34.6 | Very low | 125.8 Ų | 125.8 | 139.6 Ų | 139.6 | 77% | 0.772 | 78% | 0.782 | S | S | * | * | trans | -166 | 137.7 | 150.8 | 39.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1154 | N | 32.4 | Very low | 34.6 | Very low | 142.6 Ų | 142.6 | 139 Ų | 139 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | trans | -85.5 | 147.4 | 156.5 | -67 | -28.8 | 0 | 0 | 0 | 115.6 | ||||
| 1155 | L | 38.4 | Very low | 34.4 | Very low | 156.2 Ų | 156.2 | 142.3 Ų | 142.3 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -176.8 | 134.1 | 132 | -91.3 | 169 | 0 | 0 | 0 | 113.6 | ||||
| 1156 | D | 33.1 | Very low | 34.5 | Very low | 145.6 Ų | 145.6 | 142.4 Ų | 142.4 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | -46.1 | 147.3 | 161.1 | -59.2 | -50.8 | 0 | 0 | 0 | 118.7 | ||||
| 1157 | A | 38.1 | Very low | 34.4 | Very low | 95.8 Ų | 95.8 | 144.7 Ų | 144.7 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | 162.2 | 113.7 | 148.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1158 | N | 32.6 | Very low | 34.3 | Very low | 155.2 Ų | 155.2 | 143.5 Ų | 143.5 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | trans | -71.5 | 149.3 | 159.9 | -60.3 | -36.2 | 0 | 0 | 0 | 114.6 | ||||
| 1159 | S | 36.2 | Very low | 34.2 | Very low | 109.8 Ų | 109.8 | 143.4 Ų | 143.4 | 77% | 0.768 | 78% | 0.78 | S | S | * | * | trans | 165.5 | 117.3 | 138.1 | 3.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1160 | D | 33.1 | Very low | 34.2 | Very low | 150.4 Ų | 150.4 | 139 Ų | 139 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 13.6 | 144.1 | 134.8 | -57.1 | -50.7 | 0 | 0 | 0 | 117.2 | ||||
| 1161 | S | 35.2 | Very low | 34.1 | Very low | 113.8 Ų | 113.8 | 131.9 Ų | 131.9 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | 126.6 | 126 | 151.5 | -69.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1162 | D | 32.9 | Very low | 34 | Very low | 152.8 Ų | 152.8 | 129.4 Ų | 129.4 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | trans | -76.8 | 147.5 | 156.2 | -83.8 | -39.7 | 0 | 0 | 0 | 115.4 | ||||
| 1163 | S | 35.4 | Very low | 33.9 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | 153.6 | 137.4 | 138.3 | 58.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1164 | S | 35.5 | Very low | 33.7 | Very low | 103.6 Ų | 103.6 | 130.1 Ų | 130.1 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | trans | -169.1 | 127.9 | 143.8 | 51.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1165 | E | 33.2 | Very low | 33.9 | Very low | 172.8 Ų | 172.8 | 131.1 Ų | 131.1 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | 107.1 | 147 | 120.6 | -68.3 | -172.4 | 144.3 | 0 | 0 | 116.4 | |||||
| 1166 | I | 34.5 | Very low | 33.6 | Very low | 149.2 Ų | 149.2 | 131.1 Ų | 131.1 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | 77.4 | 107.3 | 136.7 | -52.9 | -180 | 0 | 0 | 0 | 115.2 | ||||
| 1167 | K | 33.7 | Very low | 33.5 | Very low | 186.4 Ų | 186.4 | 128.2 Ų | 128.2 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | 65.8 | 126.2 | 134.7 | -108.4 | 172.9 | 179.9 | 171.1 | 0 | 117.2 | ||||
| 1168 | S | 31.3 | Very low | 33.1 | Very low | 99.8 Ų | 99.8 | 129 Ų | 129 | 70% | 0.698 | 78% | 0.783 | S | S | * | * | -168.7 | 146.9 | 107.4 | -25.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1169 | C | 31.9 | Very low | 33 | Very low | 118.6 Ų | 118.6 | 131.4 Ų | 131.4 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | trans | 59.3 | 138.6 | 153.2 | -63.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1170 | S | 30.7 | Very low | 32.8 | Very low | 119.2 Ų | 119.2 | 130.4 Ų | 130.4 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | cis | 177.8 | 140.8 | -13 | 7.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1171 | G | 31.8 | Very low | 32.7 | Very low | 74 Ų | 74 | 130.2 Ų | 130.2 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | 135.3 | 136.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1172 | S | 33.3 | Very low | 32.5 | Very low | 108.2 Ų | 108.2 | 133.6 Ų | 133.6 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | trans | -134.3 | 149.6 | 178.5 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1173 | T | 31.5 | Very low | 32.3 | Very low | 120.8 Ų | 120.8 | 134.4 Ų | 134.4 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | 156.2 | 143.8 | 151.9 | 41.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1174 | D | 33.3 | Very low | 32 | Very low | 147.2 Ų | 147.2 | 132.2 Ų | 132.2 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | trans | 165 | 131.3 | 158.7 | -73 | -45.4 | 0 | 0 | 0 | 112.4 | D1176 | D1174-D1176 PolarHBondContact O-N 3.35Š| ||
| 1175 | L | 36.5 | Very low | 31.6 | Very low | 162.2 Ų | 162.2 | 132.1 Ų | 132.1 | 85% | 0.849 | 78% | 0.784 | S | S | * | * | trans | 91.2 | 132.1 | 150.7 | -72.8 | 168.5 | 0 | 0 | 0 | 115.4 | A1177 | L1175-A1177 PolarHBondContact O-N 2.66Š| ||
| 1176 | D | 30.7 | Very low | 31.3 | Very low | 156 Ų | 156 | 133.3 Ų | 133.3 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -99.3 | 151.7 | 160.5 | -102.8 | -34 | 0 | 0 | 0 | 115.7 | D1174 S1178 | D1174-D1176 PolarHBondContact O-N 3.35Å; D1176-S1178 PolarHBondContact O-N 3.48Å | ||
| 1177 | A | 31.4 | Very low | 31 | Very low | 85.4 Ų | 85.4 | 131 Ų | 131 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | 36.3 | 106.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | L1175 K1179 | L1175-A1177 PolarHBondContact O-N 2.66Å; A1177-K1179 PolarHBondContact O-N 2.81Å | ||
| 1178 | S | 30.8 | Very low | 30.9 | Very low | 112.2 Ų | 112.2 | 127.7 Ų | 127.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 74.4 | 118.1 | 132.3 | 25.7 | 0 | 0 | 0 | 0 | 119.7 | D1176 A1180 | D1176-S1178 PolarHBondContact O-N 3.48Å; S1178-A1180 PolarHBondContact O-N 3.19Å | ||
| 1179 | K | 30.9 | Very low | 30.7 | Very low | 207 Ų | 207 | 127.6 Ų | 127.6 | 90% | 0.9 | 78% | 0.781 | S | S | * | * | trans | 117 | 123.2 | 143.1 | -88 | 176.7 | 177.2 | 177 | 0 | 115.3 | A1177 | A1177-K1179 PolarHBondContact O-N 2.81Š| ||
| 1180 | A | 31.4 | Very low | 30.6 | Very low | 87 Ų | 87 | 127.2 Ų | 127.2 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | trans | -178.4 | 132.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1178 E1182 | S1178-A1180 PolarHBondContact O-N 3.19Å; A1180-E1182 PolarHBondContact O-N 2.82Å; A1180-E1182 VanDerWaalsContact O-N 3.08Å | ||
| 1181 | N | 29.9 | Very low | 30.5 | Very low | 146.6 Ų | 146.6 | 129.5 Ų | 129.5 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | 48.1 | 107.1 | 145.6 | -65.5 | 0.5 | 0 | 0 | 0 | 118 | L1183 | N1181-L1183 PolarHBondContact O-N 2.89Š| ||
| 1182 | E | 32.1 | Very low | 30.4 | Very low | 185.8 Ų | 185.8 | 131.4 Ų | 131.4 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | -128.2 | 105 | 136.7 | -81.3 | -173.3 | 160.2 | 0 | 0 | 112.7 | A1180 G1184 | A1180-E1182 PolarHBondContact O-N 2.82Å; A1180-E1182 VanDerWaalsContact O-N 3.08Å; E1182-G1184 VanDerWaalsContact C-N 3.32Å; E1182-G1184 PolarHBondContact O-N 3.43Å | ||
| 1183 | L | 28 | Very low | 30.2 | Very low | 170 Ų | 170 | 131.1 Ų | 131.1 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | -53.1 | 105.9 | 157 | -73.5 | 162 | 0 | 0 | 0 | 113.8 | N1181 | N1181-L1183 PolarHBondContact O-N 2.89Š| ||
| 1184 | G | 28.7 | Very low | 30.3 | Very low | 63.2 Ų | 63.2 | 132.6 Ų | 132.6 | 65% | 0.652 | 78% | 0.783 | S | S | * | * | trans | -155.9 | 124.7 | 152.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E1182 F1186 | E1182-G1184 VanDerWaalsContact C-N 3.32Å; E1182-G1184 PolarHBondContact O-N 3.43Å; G1184-F1186 PolarHBondContact O-N 3.38Å; G1184-F1186 VanDerWaalsContact O-N 3.08Å | ||
| 1185 | S | 27.8 | Very low | 30.2 | Very low | 102.8 Ų | 102.8 | 130.9 Ų | 130.9 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | trans | -60.8 | 127.6 | 173.5 | 53 | 0 | 0 | 0 | 0 | 113.3 | S1187 | S1185-S1187 PolarHBondContact O-N 2.87Š| ||
| 1186 | F | 27.9 | Very low | 30 | Very low | 197.6 Ų | 197.6 | 130 Ų | 130 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | trans | -113.8 | 113.7 | 136.4 | -75.2 | -75.6 | 0 | 0 | 0 | 112.5 | G1184 P1188 | G1184-F1186 PolarHBondContact O-N 3.38Å; G1184-F1186 VanDerWaalsContact O-N 3.08Å; F1186-P1188 WeakPolarHBondContact O-CD 3.29Å | ||
| 1187 | S | 27.3 | Very low | 30.1 | Very low | 100.4 Ų | 100.4 | 129.4 Ų | 129.4 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | trans | -104.9 | 146.8 | 168.6 | -64.1 | 0 | 0 | 0 | 0 | 108.7 | S1185 S1189 | S1185-S1187 PolarHBondContact O-N 2.87Å; S1187-S1189 PolarHBondContact O-N 3.2Å | ||
| 1188 | P | 31.7 | Very low | 30.2 | Very low | 118.2 Ų | 118.2 | 130 Ų | 130 | 77% | 0.768 | 77% | 0.766 | S | S | * | * | trans | -99.2 | 133.7 | -144.5 | 35.3 | -29.2 | 0 | 0 | 0 | 111 | F1186 | F1186-P1188 WeakPolarHBondContact O-CD 3.29Š| ||
| 1189 | S | 28 | Very low | 30.2 | Very low | 97.2 Ų | 97.2 | 128.3 Ų | 128.3 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | 168.3 | 83.7 | 170.7 | 13 | 0 | 0 | 0 | 0 | 115.5 | S1187 | S1187-S1189 PolarHBondContact O-N 3.2Š| ||
| 1190 | S | 29.5 | Very low | 30.2 | Very low | 109.2 Ų | 109.2 | 123.6 Ų | 123.6 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | trans | -153.7 | 85.4 | 164.4 | -73.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1191 | L | 28 | Very low | 30.2 | Very low | 169.4 Ų | 169.4 | 126.1 Ų | 126.1 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | trans | -127.2 | 92.6 | 148 | -77.1 | 173.1 | 0 | 0 | 0 | 112.5 | ||||
| 1192 | S | 28.8 | Very low | 30.2 | Very low | 112.4 Ų | 112.4 | 124.6 Ų | 124.6 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | trans | -175.7 | 74.1 | 171.4 | 59.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1193 | S | 31 | Very low | 30 | Very low | 101.6 Ų | 101.6 | 120 Ų | 120 | 71% | 0.71 | 73% | 0.726 | S | S | * | * | trans | -160.8 | 48.2 | 150.3 | 64.9 | 0 | 0 | 0 | 0 | 113.4 | T1195 | S1193-T1195 PolarHBondContact O-N 2.93Š| ||
| 1194 | I | 32.1 | Very low | 30.2 | Very low | 153 Ų | 153 | 117.4 Ų | 117.4 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | trans | -110.6 | 92.4 | 164.1 | -92.5 | 171.5 | 0 | 0 | 0 | 110.8 | V1198 | I1194-V1198 WeakPolarHBondContact O-CG2 3.37Š| ||
| 1195 | T | 32.3 | Very low | 30.4 | Very low | 112.4 Ų | 112.4 | 121.8 Ų | 121.8 | 69% | 0.69 | 72% | 0.717 | S | S | * | * | trans | -135.1 | 106.3 | 135.8 | 45.2 | 0 | 0 | 0 | 0 | 109.4 | S1193 | S1193-T1195 PolarHBondContact O-N 2.93Š| ||
| 1196 | D | 31.8 | Very low | 30.6 | Very low | 143.2 Ų | 143.2 | 124.1 Ų | 124.1 | 77% | 0.766 | 72% | 0.716 | S | S | * | * | trans | -126.8 | 92.2 | 142.4 | -70.3 | -40.7 | 0 | 0 | 0 | 112.5 | V1198 | D1196-V1198 VanDerWaalsContact C-N 3.3Å; D1196-V1198 PolarHBondContact O-N 3.21Å; D1196-V1198 VanDerWaalsContact O-N 3.14Å | ||
| 1197 | D | 33.9 | Very low | 30.7 | Very low | 142.8 Ų | 142.8 | 122.1 Ų | 122.1 | 76% | 0.764 | 71% | 0.71 | S | S | * | * | trans | -134.1 | 87.6 | 175.2 | -93.5 | -35.4 | 0 | 0 | 0 | 112.5 | A1199 T1200 | D1197-A1199 PolarHBondContact O-N 3.02Å; D1197-A1199 VanDerWaalsContact O-N 3.14Å; D1197-T1200 PolarHBondContact O-N 3.36Å; D1197-T1200 PolarHBondContact O-OG1 3.42Å | ||
| 1198 | V | 32.9 | Very low | 30.9 | Very low | 98.4 Ų | 98.4 | 125.4 Ų | 125.4 | 60% | 0.596 | 71% | 0.712 | S | S | * | * | trans | -98.5 | 68.9 | -179.4 | -173.8 | 0 | 0 | 0 | 0 | 112.9 | H956 I1194 D1196 T1200 I1201 | H956-V1198 HydrophobicContact CB-CB 3.69Å; H956-V1198 HydrophobicContact CB-CG1 3.67Å; H956-V1198 HydrophobicContact CB-CG2 3.97Å; H956-V1198 PolarHBondContact CE1-O 3.1Å; H956-V1198 PolarHBondContact ND1-O 2.84Å; H956-V1198 WeakPolarHBondContact O-CG1 3.29Å; I1194-V1198 WeakPolarHBondContact O-CG2 3.37Å; D1196-V1198 VanDerWaalsContact C-N 3.3Å; D1196-V1198 PolarHBondContact O-N 3.21Å; D1196-V1198 VanDerWaalsContact O-N 3.14Å; V1198-T1200 PolarHBondContact O-N 3.07Å; V1198-I1201 HydrophobicContact CB-CD1 4.48Å; V1198-I1201 HydrophobicContact CG1-CD1 4.39Å; V1198-I1201 HydrophobicContact CG2-CD1 4.37Å; V1198-I1201 PolarHBondContact O-N 2.83Å | ||
| 1199 | A | 30.1 | Very low | 30.8 | Very low | 75.6 Ų | 75.6 | 125.4 Ų | 125.4 | 63% | 0.625 | 70% | 0.701 | S | S | * | * | trans | -34.9 | 56.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | P959 D1197 I1201 | P959-A1199 WeakPolarHBondContact CD-O 3.47Å; D1197-A1199 PolarHBondContact O-N 3.02Å; D1197-A1199 VanDerWaalsContact O-N 3.14Å; A1199-I1201 PolarHBondContact O-N 3.03Å | ||
| 1200 | T | 30.6 | Very low | 30.9 | Very low | 109.2 Ų | 109.2 | 128.7 Ų | 128.7 | 67% | 0.67 | 71% | 0.706 | S | S | * | * | trans | -16.1 | 50.2 | 160.9 | 0.1 | 0 | 0 | 0 | 0 | 113.8 | D1197 V1198 L1202 S1203 D1204 | D1197-T1200 PolarHBondContact O-N 3.36Å; D1197-T1200 PolarHBondContact O-OG1 3.42Å; V1198-T1200 PolarHBondContact O-N 3.07Å; T1200-L1202 HydrophobicContact CG2-CD1 4.16Å; T1200-L1202 HydrophobicContact CG2-CG 4.43Å; T1200-L1202 PolarHBondContact O-N 3.15Å; T1200-S1203 PolarHBondContact O-N 3.06Å; T1200-S1203 VanDerWaalsContact O-N 3.08Å; T1200-D1204 PolarHBondContact O-N 3.17Å | ||
| 1201 | I | 31.5 | Very low | 30.9 | Very low | 138.4 Ų | 138.4 | 127.2 Ų | 127.2 | 71% | 0.71 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -96.4 | 32.1 | 157.1 | -63.6 | 167 | 0 | 0 | 0 | 110.5 | P958 V1198 A1199 | P958-I1201 HydrophobicContact CB-CB 3.77Å; P958-I1201 HydrophobicContact CG-CB 3.65Å; P958-I1201 HydrophobicContact CG-CG2 4.08Å; V1198-I1201 HydrophobicContact CB-CD1 4.48Å; V1198-I1201 HydrophobicContact CG1-CD1 4.39Å; V1198-I1201 HydrophobicContact CG2-CD1 4.37Å; V1198-I1201 PolarHBondContact O-N 2.83Å; A1199-I1201 PolarHBondContact O-N 3.03Å |
| 1202 | L | 29.4 | Very low | 31.1 | Very low | 115.6 Ų | 115.6 | 128.6 Ų | 128.6 | 61% | 0.605 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -95.3 | 63.7 | 172.3 | -71.4 | 168.3 | 0 | 0 | 0 | 112.3 | P958 P959 L960 T1200 D1204 | P958-L1202 HydrophobicContact CB-CB 4.07Å; P958-L1202 HydrophobicContact CB-CG 4.36Å; P958-L1202 HydrophobicContact CG-CB 3.85Å; P958-L1202 HydrophobicContact CG-CD1 3.72Å; P958-L1202 HydrophobicContact CG-CG 3.57Å; P959-L1202 CarbonylContact O-C 3.56Å; P959-L1202 WeakPolarHBondContact O-CB 3.38Å; L960-L1202 HydrophobicContact CD1-CD1 4.49Å; L960-L1202 HydrophobicContact CD2-CB 4.13Å; L960-L1202 HydrophobicContact CD2-CD1 3.72Å; L960-L1202 HydrophobicContact CD2-CD2 3.94Å; L960-L1202 HydrophobicContact CD2-CG 4.13Å; L960-L1202 HydrophobicContact CG-CB 4.46Å; L960-L1202 HydrophobicContact CG-CD1 3.68Å; T1200-L1202 HydrophobicContact CG2-CD1 4.16Å; T1200-L1202 HydrophobicContact CG2-CG 4.43Å; T1200-L1202 PolarHBondContact O-N 3.15Å; L1202-D1204 VanDerWaalsContact C-N 3.34Å; L1202-D1204 PolarHBondContact O-N 3.1Å |
| 1203 | S | 29.8 | Very low | 31.2 | Very low | 88.6 Ų | 88.6 | 131.9 Ų | 131.9 | 62% | 0.62 | 69% | 0.692 | S | S | * | * | trans | -146.6 | 56.6 | 171.6 | -64.4 | 0 | 0 | 0 | 0 | 111.8 | T1200 E1205 | T1200-S1203 PolarHBondContact O-N 3.06Å; T1200-S1203 VanDerWaalsContact O-N 3.08Å; S1203-E1205 PolarHBondContact O-N 3.26Å | ||
| 1204 | D | 30.7 | Very low | 31.3 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 63% | 0.626 | 69% | 0.687 | S | S | * | * | trans | -140.6 | 73 | 164.1 | -92.4 | -34.2 | 0 | 0 | 0 | 112.3 | T1200 L1202 H1206 E1207 | T1200-D1204 PolarHBondContact O-N 3.17Å; L1202-D1204 VanDerWaalsContact C-N 3.34Å; L1202-D1204 PolarHBondContact O-N 3.1Å; D1204-H1206 PolarHBondContact O-N 2.83Å; D1204-H1206 VanDerWaalsContact O-N 3.13Å; D1204-E1207 HydrophobicContact CB-CB 4.16Å; D1204-E1207 HydrophobicContact CB-CG 4.46Å; D1204-E1207 PolarHBondContact OD1-N 3.18Å | ||
| 1205 | E | 32.9 | Very low | 31.5 | Very low | 154.8 Ų | 154.8 | 130.8 Ų | 130.8 | 72% | 0.723 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -85.3 | 19 | 158.9 | -66 | -155 | 131.7 | 0 | 0 | 111.8 | S1203 R1301 F1302 | S1203-E1205 PolarHBondContact O-N 3.26Å; E1205-R1301 VanDerWaalsContact CD-NH2 3.32Å; E1205-R1301 IonicContact OE1-CZ 3.27Å; E1205-R1301 IonicContact OE1-NH1 3.39Å; E1205-R1301 IonicContact OE1-NH2 3.38Å; E1205-R1301 PolarHBondContact OE1-NH2 2.86Å; E1205-R1301 IonicContact OE2-CZ 2.77Å; E1205-R1301 IonicContact OE2-NH1 3.47Å; E1205-R1301 PolarHBondContact OE2-NH1 3.11Å; E1205-R1301 IonicContact OE2-NH2 2.94Å; E1205-R1301 PolarHBondContact OE2-NH2 2.89Å; E1205-F1302 WeakPolarHBondContact OE1-CE1 3.48Å; E1205-F1302 WeakPolarHBondContact OE1-CZ 3.33Å |
| 1206 | H | 31.7 | Very low | 31.9 | Very low | 150.4 Ų | 150.4 | 129.8 Ų | 129.8 | 70% | 0.696 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -113.1 | -5.9 | 172.1 | -94.4 | -67.9 | 0 | 0 | 0 | 114.9 | D1204 F1208 E1209 | D1204-H1206 PolarHBondContact O-N 2.83Å; D1204-H1206 VanDerWaalsContact O-N 3.13Å; H1206-F1208 PolarHBondContact O-N 3.09Å; H1206-E1209 IonicContact CE1-OE2 3.26Å; H1206-E1209 PolarHBondContact CE1-OE2 3.22Å; H1206-E1209 VanDerWaalsContact CE1-OE2 3.29Å; H1206-E1209 IonicContact ND1-OE2 3.18Å; H1206-E1209 PolarHBondContact ND1-OE2 3.12Å; H1206-E1209 VanDerWaalsContact O-CA 3.27Å; H1206-E1209 WeakPolarHBondContact O-CA 3.19Å; H1206-E1209 WeakPolarHBondContact O-CB 3.31Å; H1206-E1209 PolarHBondContact O-N 3.16Å |
| 1207 | E | 31.2 | Very low | 33.4 | Very low | 156.6 Ų | 156.6 | 125.8 Ų | 125.8 | 73% | 0.732 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -91.3 | 0.3 | 165.8 | -85.3 | -146.4 | 141.8 | 0 | 0 | 112.6 | D1204 E1209 H1210 S1211 | D1204-E1207 HydrophobicContact CB-CB 4.16Å; D1204-E1207 HydrophobicContact CB-CG 4.46Å; D1204-E1207 PolarHBondContact OD1-N 3.18Å; E1207-E1209 VanDerWaalsContact C-N 3.28Å; E1207-E1209 PolarHBondContact O-N 3.23Å; E1207-E1209 VanDerWaalsContact O-N 3.11Å; E1207-H1210 PolarHBondContact O-N 3.4Å; E1207-S1211 PolarHBondContact O-N 3.01Å |
| 1208 | F | 31.1 | Very low | 35.1 | Very low | 170 Ų | 170 | 122.4 Ų | 122.4 | 75% | 0.746 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 6 | 175.7 | -124.3 | -80.8 | 0 | 0 | 0 | 113.3 | H1206 H1210 S1211 | H1206-F1208 PolarHBondContact O-N 3.09Å; F1208-H1210 PolarHBondContact O-N 3.32Å; F1208-S1211 PolarHBondContact O-N 3.02Å; F1208-S1211 PolarHBondContact O-OG 2.9Å |
| 1209 | E | 30.1 | Very low | 37.3 | Very low | 118.2 Ų | 118.2 | 121.4 Ų | 121.4 | 55% | 0.552 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -13.4 | 172.8 | -111.5 | -179.8 | 160.8 | 0 | 0 | 112.6 | H1206 E1207 S1211 R1212 | H1206-E1209 IonicContact CE1-OE2 3.26Å; H1206-E1209 PolarHBondContact CE1-OE2 3.22Å; H1206-E1209 VanDerWaalsContact CE1-OE2 3.29Å; H1206-E1209 IonicContact ND1-OE2 3.18Å; H1206-E1209 PolarHBondContact ND1-OE2 3.12Å; H1206-E1209 VanDerWaalsContact O-CA 3.27Å; H1206-E1209 WeakPolarHBondContact O-CA 3.19Å; H1206-E1209 WeakPolarHBondContact O-CB 3.31Å; H1206-E1209 PolarHBondContact O-N 3.16Å; E1207-E1209 VanDerWaalsContact C-N 3.28Å; E1207-E1209 PolarHBondContact O-N 3.23Å; E1207-E1209 VanDerWaalsContact O-N 3.11Å; E1209-S1211 VanDerWaalsContact C-N 3.34Å; E1209-S1211 PolarHBondContact O-N 2.89Å; E1209-R1212 VanDerWaalsContact CD-NH1 3.32Å; E1209-R1212 VanDerWaalsContact O-CB 3.3Å; E1209-R1212 WeakPolarHBondContact O-CB 3.43Å; E1209-R1212 VanDerWaalsContact O-CG 3.29Å; E1209-R1212 WeakPolarHBondContact O-CG 3.43Å; E1209-R1212 PolarHBondContact O-N 2.73Å; E1209-R1212 IonicContact OE1-CZ 3.45Å; E1209-R1212 VanDerWaalsContact OE1-CZ 3.26Å; E1209-R1212 IonicContact OE1-NE 2.69Å; E1209-R1212 PolarHBondContact OE1-NE 2.84Å; E1209-R1212 IonicContact OE1-NH1 2.71Å; E1209-R1212 PolarHBondContact OE1-NH1 2.79Å; E1209-R1212 IonicContact OE1-NH2 3.14Å; E1209-R1212 PolarHBondContact OE1-NH2 3.34Å |
| 1210 | H | 29.3 | Very low | 40 | Very low | 165.4 Ų | 165.4 | 120.7 Ų | 120.7 | 77% | 0.766 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 11.5 | 173.7 | -74.4 | -56.7 | 0 | 0 | 0 | 115 | E1207 F1208 R1212 | E1207-H1210 PolarHBondContact O-N 3.4Å; F1208-H1210 PolarHBondContact O-N 3.32Å; H1210-R1212 VanDerWaalsContact C-N 3.25Å; H1210-R1212 PolarHBondContact O-N 3.07Å |
| 1211 | S | 30.3 | Very low | 42.6 | Very low | 77.6 Ų | 77.6 | 116.2 Ų | 116.2 | 54% | 0.543 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.1 | 20.2 | 164.8 | -53.2 | 0 | 0 | 0 | 0 | 113.3 | E1207 F1208 E1209 Q1213 S1214 | E1207-S1211 PolarHBondContact O-N 3.01Å; F1208-S1211 PolarHBondContact O-N 3.02Å; F1208-S1211 PolarHBondContact O-OG 2.9Å; E1209-S1211 VanDerWaalsContact C-N 3.34Å; E1209-S1211 PolarHBondContact O-N 2.89Å; S1211-Q1213 PolarHBondContact O-N 3.1Å; S1211-S1214 PolarHBondContact O-N 3.07Å; S1211-S1214 PolarHBondContact O-OG 3.16Å |
| 1212 | R | 32 | Very low | 45.2 | Very low | 198.4 Ų | 198.4 | 111.2 Ų | 111.2 | 75% | 0.749 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -79.7 | 24.4 | 171.4 | -75.9 | -175.1 | 173.9 | 177.7 | 4.9 | 113.5 | E1209 H1210 S1214 | E1209-R1212 VanDerWaalsContact CD-NH1 3.32Å; E1209-R1212 VanDerWaalsContact O-CB 3.3Å; E1209-R1212 WeakPolarHBondContact O-CB 3.43Å; E1209-R1212 VanDerWaalsContact O-CG 3.29Å; E1209-R1212 WeakPolarHBondContact O-CG 3.43Å; E1209-R1212 PolarHBondContact O-N 2.73Å; E1209-R1212 IonicContact OE1-CZ 3.45Å; E1209-R1212 VanDerWaalsContact OE1-CZ 3.26Å; E1209-R1212 IonicContact OE1-NE 2.69Å; E1209-R1212 PolarHBondContact OE1-NE 2.84Å; E1209-R1212 IonicContact OE1-NH1 2.71Å; E1209-R1212 PolarHBondContact OE1-NH1 2.79Å; E1209-R1212 IonicContact OE1-NH2 3.14Å; E1209-R1212 PolarHBondContact OE1-NH2 3.34Å; H1210-R1212 VanDerWaalsContact C-N 3.25Å; H1210-R1212 PolarHBondContact O-N 3.07Å; R1212-S1214 PolarHBondContact O-N 3.2Å |
| 1213 | Q | 30.9 | Very low | 48 | Very low | 183.6 Ų | 183.6 | 111.1 Ų | 111.1 | 86% | 0.858 | 58% | 0.577 | S | S | * | * | trans | -107.1 | 37.2 | -178.5 | -91.8 | 167.7 | -26.9 | 0 | 0 | 113.6 | S1211 D1215 | S1211-Q1213 PolarHBondContact O-N 3.1Å; Q1213-D1215 VanDerWaalsContact C-N 3.31Å; Q1213-D1215 PolarHBondContact O-N 2.85Å | ||
| 1214 | S | 32.7 | Very low | 50.8 | Low | 87.8 Ų | 87.8 | 111 Ų | 111 | 61% | 0.614 | 57% | 0.567 | S | S | * | * | trans | -98.7 | 53.6 | 170.1 | 63.4 | 0 | 0 | 0 | 0 | 112.2 | S1211 R1212 C1216 S1217 | S1211-S1214 PolarHBondContact O-N 3.07Å; S1211-S1214 PolarHBondContact O-OG 3.16Å; R1212-S1214 PolarHBondContact O-N 3.2Å; S1214-C1216 PolarHBondContact O-N 3.07Å; S1214-C1216 VanDerWaalsContact O-N 3.1Å; S1214-S1217 WeakPolarHBondContact O-CB 3.46Å; S1214-S1217 PolarHBondContact O-N 2.8Å; S1214-S1217 PolarHBondContact O-OG 3.16Å | ||
| 1215 | D | 37.1 | Very low | 53.6 | Low | 142 Ų | 142 | 105.4 Ų | 105.4 | 76% | 0.759 | 54% | 0.537 | S | S | * | . | trans | -63.4 | 84.7 | -179.4 | -69.2 | -33.6 | 0 | 0 | 0 | 111.8 | Q1213 S1217 T1218 P1219 | Q1213-D1215 VanDerWaalsContact C-N 3.31Å; Q1213-D1215 PolarHBondContact O-N 2.85Å; D1215-S1217 VanDerWaalsContact C-N 3.3Å; D1215-S1217 PolarHBondContact O-N 3.34Å; D1215-T1218 PolarHBondContact O-OG1 3.03Å; D1215-P1219 WeakPolarHBondContact O-CD 3.19Å | ||
| 1216 | C | 40.7 | Very low | 56.3 | Low | 91.6 Ų | 91.6 | 99.4 Ų | 99.4 | 62% | 0.619 | 51% | 0.511 | S | S | * | . | trans | -74 | 81.8 | 169.3 | -167.7 | 0 | 0 | 0 | 0 | 109.7 | S1214 T1218 T1220 | S1214-C1216 PolarHBondContact O-N 3.07Å; S1214-C1216 VanDerWaalsContact O-N 3.1Å; C1216-T1218 PolarHBondContact O-N 3.15Å; C1216-T1220 PolarHBondContact O-OG1 3.15Å | ||
| 1217 | S | 61.5 | Low | 59.1 | Low | 59.2 Ų | 59.2 | 95.9 Ų | 95.9 | 41% | 0.414 | 50% | 0.498 | S | S | . | . | trans | -61 | 121.9 | -171.6 | 70.3 | 0 | 0 | 0 | 0 | 111.6 | S1214 D1215 P1219 T1220 V1221 | S1214-S1217 WeakPolarHBondContact O-CB 3.46Å; S1214-S1217 PolarHBondContact O-N 2.8Å; S1214-S1217 PolarHBondContact O-OG 3.16Å; D1215-S1217 VanDerWaalsContact C-N 3.3Å; D1215-S1217 PolarHBondContact O-N 3.34Å; S1217-P1219 VanDerWaalsContact C-N 3.31Å; S1217-P1219 VanDerWaalsContact O-N 3.09Å; S1217-P1219 WeakPolarHBondContact OG-CG 3.21Å; S1217-T1220 WeakPolarHBondContact O-CA 3.37Å; S1217-T1220 VanDerWaalsContact O-CB 3.28Å; S1217-T1220 WeakPolarHBondContact O-CB 3.39Å; S1217-T1220 PolarHBondContact O-N 3.32Å; S1217-T1220 PolarHBondContact O-OG1 3.19Å; S1217-T1220 WeakPolarHBondContact OG-CG2 3.4Å; S1217-T1220 PolarHBondContact OG-OG1 3.2Å; S1217-V1221 WeakPolarHBondContact O-CG2 3.33Å; S1217-V1221 PolarHBondContact O-N 3.11Å; S1217-V1221 VanDerWaalsContact O-N 3.07Å | ||
| 1218 | T | 70.3 | Confident | 61.8 | Low | 71.4 Ų | 71.4 | 93 Ų | 93 | 44% | 0.438 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -48.5 | -39.2 | 179.7 | 50.8 | 0 | 0 | 0 | 0 | 114.8 | D1215 C1216 T1220 V1221 L1222 A1303 | D1215-T1218 PolarHBondContact O-OG1 3.03Å; C1216-T1218 PolarHBondContact O-N 3.15Å; T1218-T1220 VanDerWaalsContact C-N 3.31Å; T1218-T1220 PolarHBondContact O-N 3.29Å; T1218-V1221 PolarHBondContact O-N 3.15Å; T1218-L1222 WeakPolarHBondContact O-CB 3.45Å; T1218-L1222 PolarHBondContact O-N 3.16Å; T1218-L1222 VanDerWaalsContact O-N 3.09Å; T1218-A1303 HydrophobicContact CG2-CB 3.73Å |
| 1219 | P | 80.2 | Confident | 64.7 | Low | 79 Ų | 79 | 84.9 Ų | 84.9 | 51% | 0.513 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64 | -31.3 | 174.1 | 23.8 | -35.4 | 0 | 0 | 0 | 114 | D1215 S1217 V1221 L1222 H1223 | D1215-P1219 WeakPolarHBondContact O-CD 3.19Å; S1217-P1219 VanDerWaalsContact C-N 3.31Å; S1217-P1219 VanDerWaalsContact O-N 3.09Å; S1217-P1219 WeakPolarHBondContact OG-CG 3.21Å; P1219-V1221 PolarHBondContact O-N 3.18Å; P1219-L1222 PolarHBondContact O-N 3.26Å; P1219-H1223 VanDerWaalsContact O-CB 3.28Å; P1219-H1223 WeakPolarHBondContact O-CB 3.29Å; P1219-H1223 PolarHBondContact O-N 3.26Å |
| 1220 | T | 85.2 | Confident | 67.5 | Low | 60.2 Ų | 60.2 | 80.4 Ų | 80.4 | 37% | 0.369 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 177.9 | -11.6 | 0 | 0 | 0 | 0 | 111.5 | C1216 S1217 T1218 L1222 H1223 Q1224 | C1216-T1220 PolarHBondContact O-OG1 3.15Å; S1217-T1220 WeakPolarHBondContact O-CA 3.37Å; S1217-T1220 VanDerWaalsContact O-CB 3.28Å; S1217-T1220 WeakPolarHBondContact O-CB 3.39Å; S1217-T1220 PolarHBondContact O-N 3.32Å; S1217-T1220 PolarHBondContact O-OG1 3.19Å; S1217-T1220 WeakPolarHBondContact OG-CG2 3.4Å; S1217-T1220 PolarHBondContact OG-OG1 3.2Å; T1218-T1220 VanDerWaalsContact C-N 3.31Å; T1218-T1220 PolarHBondContact O-N 3.29Å; T1220-L1222 VanDerWaalsContact C-N 3.34Å; T1220-H1223 PolarHBondContact O-N 3.01Å; T1220-Q1224 WeakPolarHBondContact O-CB 3.37Å; T1220-Q1224 VanDerWaalsContact O-CG 3.28Å; T1220-Q1224 WeakPolarHBondContact O-CG 3.31Å; T1220-Q1224 PolarHBondContact O-N 2.99Å |
| 1221 | V | 85.5 | Confident | 70.4 | Confident | 14 Ų | 14 | 79.1 Ų | 79.1 | 9% | 0.085 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 177 | -178 | 0 | 0 | 0 | 0 | 110.7 | S1217 T1218 P1219 H1223 Q1224 F1225 D1296 K1299 I1300 | S1217-V1221 WeakPolarHBondContact O-CG2 3.33Å; S1217-V1221 PolarHBondContact O-N 3.11Å; S1217-V1221 VanDerWaalsContact O-N 3.07Å; T1218-V1221 PolarHBondContact O-N 3.15Å; P1219-V1221 PolarHBondContact O-N 3.18Å; V1221-H1223 VanDerWaalsContact C-N 3.34Å; V1221-H1223 PolarHBondContact O-N 3.27Å; V1221-Q1224 PolarHBondContact O-N 3.14Å; V1221-F1225 WeakPolarHBondContact O-CB 3.38Å; V1221-F1225 PolarHBondContact O-N 3.11Å; V1221-D1296 HydrophobicContact CG1-CB 4.24Å; V1221-K1299 HydrophobicContact CG1-CB 3.93Å; V1221-K1299 HydrophobicContact CG1-CD 3.85Å; V1221-K1299 HydrophobicContact CG2-CD 4.27Å; V1221-I1300 HydrophobicContact CG1-CD1 4.37Å; V1221-I1300 HydrophobicContact CG1-CG1 4.14Å |
| 1222 | L | 87.2 | Confident | 73.2 | Confident | 32.8 Ų | 32.8 | 75.6 Ų | 75.6 | 17% | 0.172 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 176 | -175.3 | 118.9 | 0 | 0 | 0 | 112.1 | T1218 P1219 T1220 F1225 T1226 I1300 S1305 T1308 I1309 | T1218-L1222 WeakPolarHBondContact O-CB 3.45Å; T1218-L1222 PolarHBondContact O-N 3.16Å; T1218-L1222 VanDerWaalsContact O-N 3.09Å; P1219-L1222 PolarHBondContact O-N 3.26Å; T1220-L1222 VanDerWaalsContact C-N 3.34Å; L1222-F1225 PolarHBondContact O-N 3.32Å; L1222-T1226 VanDerWaalsContact O-CB 3.28Å; L1222-T1226 WeakPolarHBondContact O-CB 3.3Å; L1222-T1226 PolarHBondContact O-N 3.27Å; L1222-T1226 PolarHBondContact O-OG1 3.17Å; L1222-I1300 HydrophobicContact CB-CG1 4.49Å; L1222-I1300 HydrophobicContact CD1-CD1 4.2Å; L1222-I1300 HydrophobicContact CD1-CG1 4.4Å; L1222-I1300 HydrophobicContact CD1-CG2 4.18Å; L1222-S1305 VanDerWaalsContact CD1-CB 3.46Å; L1222-S1305 WeakPolarHBondContact CD1-O 3.32Å; L1222-T1308 WeakPolarHBondContact CD1-OG1 3.34Å; L1222-I1309 HydrophobicContact CD1-CD1 4.13Å; L1222-I1309 HydrophobicContact CD1-CG1 4.19Å |
| 1223 | H | 87.3 | Confident | 75.9 | Confident | 115 Ų | 115 | 67 Ų | 67 | 53% | 0.532 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 176.6 | -173.4 | 72.4 | 0 | 0 | 0 | 111.5 | P1219 T1220 V1221 F1225 T1226 N1227 | P1219-H1223 VanDerWaalsContact O-CB 3.28Å; P1219-H1223 WeakPolarHBondContact O-CB 3.29Å; P1219-H1223 PolarHBondContact O-N 3.26Å; T1220-H1223 PolarHBondContact O-N 3.01Å; V1221-H1223 VanDerWaalsContact C-N 3.34Å; V1221-H1223 PolarHBondContact O-N 3.27Å; H1223-F1225 PolarHBondContact O-N 3.41Å; H1223-T1226 PolarHBondContact O-N 3.15Å; H1223-N1227 PolarHBondContact CD2-ND2 3.04Å; H1223-N1227 VanDerWaalsContact CD2-ND2 3.31Å; H1223-N1227 PolarHBondContact CE1-ND2 3.34Å; H1223-N1227 PolarHBondContact NE2-ND2 3.03Å; H1223-N1227 WeakPolarHBondContact O-CB 3.31Å; H1223-N1227 VanDerWaalsContact O-CG 3.23Å; H1223-N1227 PolarHBondContact O-N 3.07Å; H1223-N1227 PolarHBondContact O-ND2 3.07Å; H1223-N1227 PolarHBondContact O-OD1 3.32Å |
| 1224 | Q | 88.7 | Confident | 78.6 | Confident | 86 Ų | 86 | 66.5 Ų | 66.5 | 40% | 0.402 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 175 | -74 | 179.1 | 19.9 | 0 | 0 | 112.1 | T1220 V1221 T1226 N1227 R1228 | T1220-Q1224 WeakPolarHBondContact O-CB 3.37Å; T1220-Q1224 VanDerWaalsContact O-CG 3.28Å; T1220-Q1224 WeakPolarHBondContact O-CG 3.31Å; T1220-Q1224 PolarHBondContact O-N 2.99Å; V1221-Q1224 PolarHBondContact O-N 3.14Å; Q1224-T1226 PolarHBondContact O-N 3.2Å; Q1224-N1227 PolarHBondContact O-N 3.29Å; Q1224-R1228 WeakPolarHBondContact O-CB 3.23Å; Q1224-R1228 VanDerWaalsContact O-CG 3.31Å; Q1224-R1228 WeakPolarHBondContact O-CG 3.37Å; Q1224-R1228 PolarHBondContact O-N 3.16Å |
| 1225 | F | 89.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 175.9 | 179.8 | -100.7 | 0 | 0 | 0 | 111.9 | V1221 L1222 H1223 N1227 R1228 L1229 L1293 D1296 I1300 M1306 I1309 F1317 I1396 | V1221-F1225 WeakPolarHBondContact O-CB 3.38Å; V1221-F1225 PolarHBondContact O-N 3.11Å; L1222-F1225 PolarHBondContact O-N 3.32Å; H1223-F1225 PolarHBondContact O-N 3.41Å; F1225-N1227 VanDerWaalsContact C-N 3.3Å; F1225-N1227 PolarHBondContact O-N 2.97Å; F1225-R1228 PolarHBondContact O-N 3.14Å; F1225-L1229 HydrophobicContact CE1-CD2 4.28Å; F1225-L1229 WeakPolarHBondContact O-CB 3.32Å; F1225-L1229 PolarHBondContact O-N 3.07Å; F1225-L1293 HydrophobicContact CD2-CD2 3.9Å; F1225-L1293 HydrophobicContact CE2-CB 4.43Å; F1225-L1293 HydrophobicContact CE2-CD2 3.73Å; F1225-D1296 HydrophobicContact CB-CB 4.12Å; F1225-D1296 HydrophobicContact CD2-CB 3.87Å; F1225-D1296 HydrophobicContact CG-CB 4.38Å; F1225-I1300 HydrophobicContact CB-CD1 3.26Å; F1225-I1300 HydrophobicContact CD1-CD1 3.65Å; F1225-I1300 HydrophobicContact CD2-CD1 4.11Å; F1225-I1300 HydrophobicContact CE1-CD1 4.41Å; F1225-I1300 HydrophobicContact CG-CD1 3.41Å; F1225-I1300 VanDerWaalsContact CG-CD1 3.47Å; F1225-M1306 HydrophobicContact CE1-SD 4.31Å; F1225-I1309 HydrophobicContact CD1-CD1 3.65Å; F1225-I1309 HydrophobicContact CE1-CD1 3.62Å; F1225-F1317 HydrophobicContact CZ-CE1 4.37Å; F1225-I1396 HydrophobicContact CZ-CD1 4.46Å |
| 1226 | T | 90.2 | Very high | 83.5 | Confident | 29 Ų | 29 | 60 Ų | 60 | 18% | 0.178 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 179.4 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | L1222 H1223 Q1224 L1229 S1230 | L1222-T1226 VanDerWaalsContact O-CB 3.28Å; L1222-T1226 WeakPolarHBondContact O-CB 3.3Å; L1222-T1226 PolarHBondContact O-N 3.27Å; L1222-T1226 PolarHBondContact O-OG1 3.17Å; H1223-T1226 PolarHBondContact O-N 3.15Å; Q1224-T1226 PolarHBondContact O-N 3.2Å; T1226-L1229 PolarHBondContact O-N 3.49Å; T1226-S1230 VanDerWaalsContact O-CB 3.3Å; T1226-S1230 WeakPolarHBondContact O-CB 3.44Å; T1226-S1230 PolarHBondContact O-N 3.19Å; T1226-S1230 PolarHBondContact O-OG 3.16Å; T1226-S1230 VanDerWaalsContact O-OG 3.11Å |
| 1227 | N | 89.7 | Confident | 85.5 | Confident | 76.8 Ų | 76.8 | 60.7 Ų | 60.7 | 41% | 0.411 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.7 | -42.3 | 175.6 | -69.8 | -13.1 | 0 | 0 | 0 | 112.1 | H1223 Q1224 F1225 S1230 K1231 | H1223-N1227 PolarHBondContact CD2-ND2 3.04Å; H1223-N1227 VanDerWaalsContact CD2-ND2 3.31Å; H1223-N1227 PolarHBondContact CE1-ND2 3.34Å; H1223-N1227 PolarHBondContact NE2-ND2 3.03Å; H1223-N1227 WeakPolarHBondContact O-CB 3.31Å; H1223-N1227 VanDerWaalsContact O-CG 3.23Å; H1223-N1227 PolarHBondContact O-N 3.07Å; H1223-N1227 PolarHBondContact O-ND2 3.07Å; H1223-N1227 PolarHBondContact O-OD1 3.32Å; Q1224-N1227 PolarHBondContact O-N 3.29Å; F1225-N1227 VanDerWaalsContact C-N 3.3Å; F1225-N1227 PolarHBondContact O-N 2.97Å; N1227-S1230 WeakPolarHBondContact CA-OG 3.48Å; N1227-S1230 WeakPolarHBondContact O-CB 3.45Å; N1227-S1230 PolarHBondContact O-N 3.37Å; N1227-S1230 PolarHBondContact O-OG 3.14Å; N1227-K1231 WeakPolarHBondContact O-CB 3.42Å; N1227-K1231 PolarHBondContact O-N 3.22Å; N1227-K1231 VanDerWaalsContact O-N 3.1Å |
| 1228 | R | 88.9 | Confident | 86.4 | Confident | 94.8 Ų | 94.8 | 66.7 Ų | 66.7 | 36% | 0.358 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60 | -48.4 | 172.3 | -71 | 174.2 | -173.2 | -114.5 | -7.8 | 110.9 | Q1224 F1225 S1230 K1231 I1232 S1292 L1293 D1296 | Q1224-R1228 WeakPolarHBondContact O-CB 3.23Å; Q1224-R1228 VanDerWaalsContact O-CG 3.31Å; Q1224-R1228 WeakPolarHBondContact O-CG 3.37Å; Q1224-R1228 PolarHBondContact O-N 3.16Å; F1225-R1228 PolarHBondContact O-N 3.14Å; R1228-S1230 VanDerWaalsContact C-N 3.31Å; R1228-S1230 PolarHBondContact O-N 2.98Å; R1228-K1231 WeakPolarHBondContact O-CB 3.3Å; R1228-K1231 PolarHBondContact O-N 3.25Å; R1228-K1231 VanDerWaalsContact O-N 3.14Å; R1228-I1232 WeakPolarHBondContact O-CD1 3.35Å; R1228-I1232 VanDerWaalsContact O-CG1 3.3Å; R1228-I1232 WeakPolarHBondContact O-CG1 3.35Å; R1228-I1232 PolarHBondContact O-N 3.07Å; R1228-S1292 WeakPolarHBondContact CD-OG 3.41Å; R1228-S1292 VanDerWaalsContact NH1-CB 3.34Å; R1228-S1292 PolarHBondContact NH1-OG 3.08Å; R1228-L1293 HydrophobicContact CB-CD2 4.14Å; R1228-D1296 IonicContact CZ-OD2 3.29Å; R1228-D1296 IonicContact NE-OD2 2.7Å; R1228-D1296 PolarHBondContact NE-OD2 3.09Å; R1228-D1296 VanDerWaalsContact NE-OD2 3.16Å; R1228-D1296 IonicContact NH1-OD1 3.93Å; R1228-D1296 IonicContact NH1-OD2 3.07Å; R1228-D1296 PolarHBondContact NH1-OD2 3.33Å |
| 1229 | L | 90.9 | Very high | 86.9 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.6 | -45.6 | 175.4 | 176.4 | 62.4 | 0 | 0 | 0 | 111.5 | F1225 T1226 K1231 I1232 L1233 I1309 L1314 F1317 | F1225-L1229 HydrophobicContact CE1-CD2 4.28Å; F1225-L1229 WeakPolarHBondContact O-CB 3.32Å; F1225-L1229 PolarHBondContact O-N 3.07Å; T1226-L1229 PolarHBondContact O-N 3.49Å; L1229-K1231 PolarHBondContact O-N 3.08Å; L1229-I1232 PolarHBondContact O-N 3.03Å; L1229-L1233 HydrophobicContact CD1-CD1 3.83Å; L1229-L1233 HydrophobicContact CD1-CG 4.03Å; L1229-L1233 HydrophobicContact CG-CD1 3.96Å; L1229-L1233 HydrophobicContact CG-CG 4.43Å; L1229-L1233 VanDerWaalsContact O-CB 3.32Å; L1229-L1233 WeakPolarHBondContact O-CB 3.29Å; L1229-L1233 VanDerWaalsContact O-CG 3.31Å; L1229-L1233 WeakPolarHBondContact O-CG 3.36Å; L1229-L1233 PolarHBondContact O-N 3.19Å; L1229-I1309 HydrophobicContact CD2-CG2 3.99Å; L1229-L1314 HydrophobicContact CD2-CD2 4.45Å; L1229-F1317 HydrophobicContact CD1-CB 3.59Å; L1229-F1317 HydrophobicContact CD1-CD1 3.79Å; L1229-F1317 HydrophobicContact CD1-CD2 3.51Å; L1229-F1317 HydrophobicContact CD1-CE1 4.33Å; L1229-F1317 HydrophobicContact CD1-CE2 4.11Å; L1229-F1317 HydrophobicContact CD1-CG 3.33Å; L1229-F1317 HydrophobicContact CD1-CZ 4.33Å |
| 1230 | S | 89.1 | Confident | 87.1 | Confident | 23.2 Ų | 23.2 | 65.4 Ų | 65.4 | 16% | 0.162 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 177.9 | -21.7 | 0 | 0 | 0 | 0 | 112.5 | T1226 N1227 R1228 I1232 L1233 R1234 R1313 | T1226-S1230 VanDerWaalsContact O-CB 3.3Å; T1226-S1230 WeakPolarHBondContact O-CB 3.44Å; T1226-S1230 PolarHBondContact O-N 3.19Å; T1226-S1230 PolarHBondContact O-OG 3.16Å; T1226-S1230 VanDerWaalsContact O-OG 3.11Å; N1227-S1230 WeakPolarHBondContact CA-OG 3.48Å; N1227-S1230 WeakPolarHBondContact O-CB 3.45Å; N1227-S1230 PolarHBondContact O-N 3.37Å; N1227-S1230 PolarHBondContact O-OG 3.14Å; R1228-S1230 VanDerWaalsContact C-N 3.31Å; R1228-S1230 PolarHBondContact O-N 2.98Å; S1230-I1232 VanDerWaalsContact C-N 3.33Å; S1230-I1232 PolarHBondContact O-N 3.35Å; S1230-L1233 PolarHBondContact O-N 2.99Å; S1230-R1234 WeakPolarHBondContact O-CB 3.42Å; S1230-R1234 VanDerWaalsContact O-CG 3.3Å; S1230-R1234 WeakPolarHBondContact O-CG 3.34Å; S1230-R1234 PolarHBondContact O-N 3.04Å; S1230-R1234 VanDerWaalsContact O-N 3.11Å; S1230-R1234 PolarHBondContact OG-NH1 3.37Å; S1230-R1234 VanDerWaalsContact OG-NH1 3.17Å; S1230-R1313 PolarHBondContact OG-NH2 3.21Å |
| 1231 | K | 89.7 | Confident | 87 | Confident | 138 Ų | 138 | 62.9 Ų | 62.9 | 60% | 0.6 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.7 | -42.5 | 175 | -173.7 | -179.5 | -180 | -176.4 | 0 | 111.7 | N1227 R1228 L1229 R1235 | N1227-K1231 WeakPolarHBondContact O-CB 3.42Å; N1227-K1231 PolarHBondContact O-N 3.22Å; N1227-K1231 VanDerWaalsContact O-N 3.1Å; R1228-K1231 WeakPolarHBondContact O-CB 3.3Å; R1228-K1231 PolarHBondContact O-N 3.25Å; R1228-K1231 VanDerWaalsContact O-N 3.14Å; L1229-K1231 PolarHBondContact O-N 3.08Å; K1231-R1235 WeakPolarHBondContact O-CG 3.38Å; K1231-R1235 PolarHBondContact O-N 2.87Å |
| 1232 | I | 89.4 | Confident | 86.7 | Confident | 3.2 Ų | 3.2 | 67.2 Ų | 67.2 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.7 | -47.4 | 179.1 | -66.8 | 163.9 | 0 | 0 | 0 | 110.9 | R1228 L1229 S1230 R1234 R1235 V1236 L1285 E1289 L1293 F1317 L1320 | R1228-I1232 WeakPolarHBondContact O-CD1 3.35Å; R1228-I1232 VanDerWaalsContact O-CG1 3.3Å; R1228-I1232 WeakPolarHBondContact O-CG1 3.35Å; R1228-I1232 PolarHBondContact O-N 3.07Å; L1229-I1232 PolarHBondContact O-N 3.03Å; S1230-I1232 VanDerWaalsContact C-N 3.33Å; S1230-I1232 PolarHBondContact O-N 3.35Å; I1232-R1234 VanDerWaalsContact C-N 3.31Å; I1232-R1234 PolarHBondContact O-N 3.25Å; I1232-R1235 WeakPolarHBondContact O-CB 3.29Å; I1232-R1235 PolarHBondContact O-N 3.25Å; I1232-R1235 VanDerWaalsContact O-N 3.12Å; I1232-V1236 WeakPolarHBondContact O-CG2 3.32Å; I1232-V1236 PolarHBondContact O-N 2.95Å; I1232-V1236 VanDerWaalsContact O-N 3.16Å; I1232-L1285 HydrophobicContact CD1-CD2 4.29Å; I1232-L1285 HydrophobicContact CG2-CD2 4.02Å; I1232-E1289 HydrophobicContact CD1-CB 4.25Å; I1232-E1289 HydrophobicContact CD1-CG 4.37Å; I1232-L1293 HydrophobicContact CD1-CD1 3.53Å; I1232-L1293 VanDerWaalsContact CD1-CD1 3.44Å; I1232-L1293 HydrophobicContact CD1-CD2 4.26Å; I1232-L1293 HydrophobicContact CD1-CG 4.33Å; I1232-F1317 HydrophobicContact CD1-CE2 4.32Å; I1232-F1317 HydrophobicContact CG2-CD2 4.44Å; I1232-F1317 HydrophobicContact CG2-CE2 4.42Å; I1232-L1320 HydrophobicContact CG2-CD2 3.42Å; I1232-L1320 VanDerWaalsContact CG2-CD2 3.43Å |
| 1233 | L | 89.1 | Confident | 86.4 | Confident | 18.2 Ų | 18.2 | 71.1 Ų | 71.1 | 10% | 0.095 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63 | -34 | -179.9 | -71.7 | 176.5 | 0 | 0 | 0 | 112.7 | L1229 S1230 R1235 V1236 E1237 R1313 R1316 F1317 | L1229-L1233 HydrophobicContact CD1-CD1 3.83Å; L1229-L1233 HydrophobicContact CD1-CG 4.03Å; L1229-L1233 HydrophobicContact CG-CD1 3.96Å; L1229-L1233 HydrophobicContact CG-CG 4.43Å; L1229-L1233 VanDerWaalsContact O-CB 3.32Å; L1229-L1233 WeakPolarHBondContact O-CB 3.29Å; L1229-L1233 VanDerWaalsContact O-CG 3.31Å; L1229-L1233 WeakPolarHBondContact O-CG 3.36Å; L1229-L1233 PolarHBondContact O-N 3.19Å; S1230-L1233 PolarHBondContact O-N 2.99Å; L1233-R1235 PolarHBondContact O-N 3.13Å; L1233-V1236 CarbonylContact O-C 3.55Å; L1233-V1236 PolarHBondContact O-N 3.29Å; L1233-V1236 VanDerWaalsContact O-N 3.12Å; L1233-E1237 WeakPolarHBondContact O-CA 3.26Å; L1233-E1237 PolarHBondContact O-N 3.22Å; L1233-R1313 HydrophobicContact CD1-CB 3.97Å; L1233-R1313 HydrophobicContact CD1-CG 4.28Å; L1233-R1316 HydrophobicContact CD2-CB 4.09Å; L1233-R1316 HydrophobicContact CD2-CG 3.93Å; L1233-F1317 HydrophobicContact CD2-CB 4.27Å |
| 1234 | R | 87.6 | Confident | 86 | Confident | 174.2 Ų | 174.2 | 66.7 Ų | 66.7 | 66% | 0.657 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.6 | -41.7 | 172.7 | -76.8 | 175.3 | -178.7 | 157.5 | -1.2 | 112.7 | S1230 I1232 V1236 E1237 | S1230-R1234 WeakPolarHBondContact O-CB 3.42Å; S1230-R1234 VanDerWaalsContact O-CG 3.3Å; S1230-R1234 WeakPolarHBondContact O-CG 3.34Å; S1230-R1234 PolarHBondContact O-N 3.04Å; S1230-R1234 VanDerWaalsContact O-N 3.11Å; S1230-R1234 PolarHBondContact OG-NH1 3.37Å; S1230-R1234 VanDerWaalsContact OG-NH1 3.17Å; I1232-R1234 VanDerWaalsContact C-N 3.31Å; I1232-R1234 PolarHBondContact O-N 3.25Å; R1234-V1236 VanDerWaalsContact C-N 3.26Å; R1234-V1236 PolarHBondContact O-N 3.18Å; R1234-V1236 VanDerWaalsContact O-N 3.12Å; R1234-E1237 WeakPolarHBondContact O-CB 3.39Å; R1234-E1237 PolarHBondContact O-N 3.02Å |
| 1235 | R | 86.7 | Confident | 85.5 | Confident | 91 Ų | 91 | 63 Ų | 63 | 34% | 0.343 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.7 | -27.1 | 175.6 | -68.8 | -167.1 | -58.7 | -168.4 | -0.3 | 113.2 | K1231 I1232 L1233 S1282 R1284 E1289 | K1231-R1235 WeakPolarHBondContact O-CG 3.38Å; K1231-R1235 PolarHBondContact O-N 2.87Å; I1232-R1235 WeakPolarHBondContact O-CB 3.29Å; I1232-R1235 PolarHBondContact O-N 3.25Å; I1232-R1235 VanDerWaalsContact O-N 3.12Å; L1233-R1235 PolarHBondContact O-N 3.13Å; R1235-S1282 PolarHBondContact NE-O 3.17Å; R1235-S1282 WeakPolarHBondContact O-CB 3.43Å; R1235-R1284 PolarHBondContact NH2-O 3.45Å; R1235-E1289 IonicContact CZ-OE1 3.49Å; R1235-E1289 VanDerWaalsContact CZ-OE1 3.3Å; R1235-E1289 IonicContact CZ-OE2 3.59Å; R1235-E1289 IonicContact NE-OE1 2.71Å; R1235-E1289 IonicContact NH1-OE1 3.06Å; R1235-E1289 PolarHBondContact NH1-OE1 3.02Å; R1235-E1289 IonicContact NH1-OE2 3.14Å; R1235-E1289 PolarHBondContact NH1-OE2 3.18Å; R1235-E1289 IonicContact NH2-OE1 3.05Å; R1235-E1289 PolarHBondContact NH2-OE1 3.14Å; R1235-E1289 VanDerWaalsContact NH2-OE1 3.15Å; R1235-E1289 IonicContact NH2-OE2 3.44Å; R1235-E1289 PolarHBondContact NH2-OE2 3.27Å |
| 1236 | V | 85.9 | Confident | 85.1 | Confident | 0.4 Ų | 0.4 | 65.4 Ų | 65.4 | 0% | 0.002 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 4.8 | -173.8 | -179.6 | 0 | 0 | 0 | 0 | 111 | I1232 L1233 R1234 E1238 L1239 L1241 S1282 A1283 R1316 L1320 | I1232-V1236 WeakPolarHBondContact O-CG2 3.32Å; I1232-V1236 PolarHBondContact O-N 2.95Å; I1232-V1236 VanDerWaalsContact O-N 3.16Å; L1233-V1236 CarbonylContact O-C 3.55Å; L1233-V1236 PolarHBondContact O-N 3.29Å; L1233-V1236 VanDerWaalsContact O-N 3.12Å; R1234-V1236 VanDerWaalsContact C-N 3.26Å; R1234-V1236 PolarHBondContact O-N 3.18Å; R1234-V1236 VanDerWaalsContact O-N 3.12Å; V1236-E1238 VanDerWaalsContact C-N 3.31Å; V1236-E1238 PolarHBondContact O-N 3.17Å; V1236-L1239 HydrophobicContact CG1-CB 4.21Å; V1236-L1239 HydrophobicContact CG1-CD1 4.24Å; V1236-L1239 HydrophobicContact CG1-CG 4.42Å; V1236-L1239 PolarHBondContact O-N 3.15Å; V1236-L1239 VanDerWaalsContact O-N 3.11Å; V1236-L1241 HydrophobicContact CG1-CD1 3.69Å; V1236-L1241 HydrophobicContact CG1-CD2 3.57Å; V1236-L1241 VanDerWaalsContact CG1-CD2 3.47Å; V1236-L1241 HydrophobicContact CG1-CG 3.76Å; V1236-S1282 VanDerWaalsContact CG2-O 3.26Å; V1236-S1282 WeakPolarHBondContact CG2-O 3.34Å; V1236-A1283 HydrophobicContact CG2-CB 4.49Å; V1236-R1316 PolarHBondContact O-NH2 3.18Å; V1236-L1320 HydrophobicContact CG1-CD1 4.23Å; V1236-L1320 HydrophobicContact CG2-CD1 4.18Å; V1236-L1320 HydrophobicContact CG2-CD2 4.08Å |
| 1237 | E | 83.4 | Confident | 84.5 | Confident | 107.2 Ų | 107.2 | 66.7 Ų | 66.7 | 50% | 0.501 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -33.9 | -170 | -170 | 158.7 | -171.3 | 0 | 0 | 112.9 | L1233 R1234 L1239 R1316 | L1233-E1237 WeakPolarHBondContact O-CA 3.26Å; L1233-E1237 PolarHBondContact O-N 3.22Å; R1234-E1237 WeakPolarHBondContact O-CB 3.39Å; R1234-E1237 PolarHBondContact O-N 3.02Å; E1237-L1239 VanDerWaalsContact C-N 3.34Å; E1237-R1316 VanDerWaalsContact C-NH2 3.32Å; E1237-R1316 VanDerWaalsContact CA-NH2 3.26Å; E1237-R1316 PolarHBondContact O-NH1 3.15Å; E1237-R1316 PolarHBondContact O-NH2 3.17Å |
| 1238 | E | 80.7 | Confident | 83.9 | Confident | 185.2 Ų | 185.2 | 63.1 Ų | 63.1 | 87% | 0.865 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -13.1 | 178.5 | -59.4 | -178.3 | 171.1 | 0 | 0 | 113.8 | V1236 | V1236-E1238 VanDerWaalsContact C-N 3.31Å; V1236-E1238 PolarHBondContact O-N 3.17Å |
| 1239 | L | 80.2 | Confident | 83.2 | Confident | 44 Ų | 44 | 63.9 Ų | 63.9 | 23% | 0.23 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -89.8 | 130 | -177 | -65.7 | 177.9 | 0 | 0 | 0 | 112.1 | V1236 E1237 L1241 P1280 S1282 A1283 R1316 | V1236-L1239 HydrophobicContact CG1-CB 4.21Å; V1236-L1239 HydrophobicContact CG1-CD1 4.24Å; V1236-L1239 HydrophobicContact CG1-CG 4.42Å; V1236-L1239 PolarHBondContact O-N 3.15Å; V1236-L1239 VanDerWaalsContact O-N 3.11Å; E1237-L1239 VanDerWaalsContact C-N 3.34Å; L1239-L1241 PolarHBondContact O-N 2.96Å; L1239-L1241 VanDerWaalsContact O-N 3.14Å; L1239-P1280 HydrophobicContact CD1-CB 4.4Å; L1239-P1280 HydrophobicContact CD1-CG 3.92Å; L1239-P1280 HydrophobicContact CD2-CB 4.47Å; L1239-P1280 HydrophobicContact CD2-CG 4.07Å; L1239-S1282 VanDerWaalsContact CD1-OG 3.27Å; L1239-S1282 WeakPolarHBondContact CD1-OG 3.29Å; L1239-A1283 HydrophobicContact CD1-CB 3.86Å; L1239-R1316 PolarHBondContact O-NH2 3.26Å |
| 1240 | D | 83.8 | Confident | 82.4 | Confident | 78.8 Ų | 78.8 | 67.3 Ų | 67.3 | 42% | 0.421 | 33% | 0.334 | S | S | . | . | trans | -77.1 | 93.9 | 162.8 | -170.9 | -18.9 | 0 | 0 | 0 | 109.7 | L1242 Q1243 L1244 | D1240-L1242 VanDerWaalsContact C-N 3.28Å; D1240-L1242 PolarHBondContact O-N 3.06Å; D1240-L1242 WeakPolarHBondContact OD1-CA 3.12Å; D1240-L1242 WeakPolarHBondContact OD1-CB 3.13Å; D1240-L1242 PolarHBondContact OD1-N 3.12Å; D1240-L1242 VanDerWaalsContact OD1-N 3.12Å; D1240-Q1243 HydrophobicContact CB-CB 3.98Å; D1240-Q1243 WeakPolarHBondContact O-CB 3.4Å; D1240-Q1243 PolarHBondContact O-N 3.37Å; D1240-Q1243 PolarHBondContact OD1-N 3.32Å; D1240-Q1243 VanDerWaalsContact OD1-N 3.09Å; D1240-Q1243 WeakPolarHBondContact OD2-CB 3.32Å; D1240-L1244 WeakPolarHBondContact O-CB 3.27Å; D1240-L1244 PolarHBondContact O-N 2.99Å | ||
| 1241 | L | 82.6 | Confident | 81.5 | Confident | 8.2 Ų | 8.2 | 70.1 Ų | 70.1 | 4% | 0.043 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.3 | -25.7 | 179.6 | -70.2 | 173.8 | 0 | 0 | 0 | 113.6 | V1236 L1239 L1244 A1245 R1316 T1319 L1320 | V1236-L1241 HydrophobicContact CG1-CD1 3.69Å; V1236-L1241 HydrophobicContact CG1-CD2 3.57Å; V1236-L1241 VanDerWaalsContact CG1-CD2 3.47Å; V1236-L1241 HydrophobicContact CG1-CG 3.76Å; L1239-L1241 PolarHBondContact O-N 2.96Å; L1239-L1241 VanDerWaalsContact O-N 3.14Å; L1241-L1244 HydrophobicContact CD2-CD2 4.37Å; L1241-A1245 VanDerWaalsContact O-CB 3.29Å; L1241-A1245 WeakPolarHBondContact O-CB 3.37Å; L1241-A1245 PolarHBondContact O-N 3.18Å; L1241-R1316 HydrophobicContact CD1-CG 3.84Å; L1241-R1316 VanDerWaalsContact CD1-O 3.28Å; L1241-R1316 WeakPolarHBondContact CD1-O 3.39Å; L1241-T1319 HydrophobicContact CB-CG2 3.76Å; L1241-L1320 HydrophobicContact CD1-CB 3.95Å; L1241-L1320 HydrophobicContact CD2-CB 4.41Å; L1241-L1320 HydrophobicContact CD2-CD1 3.93Å |
| 1242 | L | 79.9 | Confident | 80.4 | Confident | 103.8 Ų | 103.8 | 64.4 Ų | 64.4 | 54% | 0.543 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -76.2 | -43 | 178.9 | -106.5 | 132.2 | 0 | 0 | 0 | 110.1 | V713 D1240 L1244 A1245 A1246 T1319 | V713-L1242 HydrophobicContact CG2-CD2 4.45Å; D1240-L1242 VanDerWaalsContact C-N 3.28Å; D1240-L1242 PolarHBondContact O-N 3.06Å; D1240-L1242 WeakPolarHBondContact OD1-CA 3.12Å; D1240-L1242 WeakPolarHBondContact OD1-CB 3.13Å; D1240-L1242 PolarHBondContact OD1-N 3.12Å; D1240-L1242 VanDerWaalsContact OD1-N 3.12Å; L1242-L1244 VanDerWaalsContact C-N 3.32Å; L1242-L1244 PolarHBondContact O-N 2.93Å; L1242-A1245 PolarHBondContact O-N 3.16Å; L1242-A1246 WeakPolarHBondContact O-CB 3.39Å; L1242-A1246 PolarHBondContact O-N 3.21Å; L1242-T1319 HydrophobicContact CD2-CG2 4.11Å; L1242-T1319 HydrophobicContact CG-CG2 4.45Å |
| 1243 | Q | 81.2 | Confident | 79.2 | Confident | 115.8 Ų | 115.8 | 66.1 Ų | 66.1 | 54% | 0.541 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 171.1 | -171.3 | 162.5 | 21.6 | 0 | 0 | 111 | D1240 A1246 V1247 | D1240-Q1243 HydrophobicContact CB-CB 3.98Å; D1240-Q1243 WeakPolarHBondContact O-CB 3.4Å; D1240-Q1243 PolarHBondContact O-N 3.37Å; D1240-Q1243 PolarHBondContact OD1-N 3.32Å; D1240-Q1243 VanDerWaalsContact OD1-N 3.09Å; D1240-Q1243 WeakPolarHBondContact OD2-CB 3.32Å; Q1243-A1246 PolarHBondContact O-N 3.07Å; Q1243-V1247 HydrophobicContact CG-CG2 4.45Å; Q1243-V1247 WeakPolarHBondContact O-CB 3.16Å; Q1243-V1247 VanDerWaalsContact O-CG2 3.3Å; Q1243-V1247 WeakPolarHBondContact O-CG2 3.42Å; Q1243-V1247 PolarHBondContact O-N 3.2Å |
| 1244 | L | 79.4 | Confident | 78 | Confident | 22.4 Ų | 22.4 | 69 Ų | 69 | 12% | 0.117 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 178.1 | -175.5 | 59.7 | 0 | 0 | 0 | 112.1 | D1240 L1241 L1242 A1246 V1247 V1248 T1278 L1279 P1280 A1283 V1323 | D1240-L1244 WeakPolarHBondContact O-CB 3.27Å; D1240-L1244 PolarHBondContact O-N 2.99Å; L1241-L1244 HydrophobicContact CD2-CD2 4.37Å; L1242-L1244 VanDerWaalsContact C-N 3.32Å; L1242-L1244 PolarHBondContact O-N 2.93Å; L1244-A1246 VanDerWaalsContact C-N 3.32Å; L1244-A1246 PolarHBondContact O-N 2.98Å; L1244-V1247 PolarHBondContact O-N 3.08Å; L1244-V1247 VanDerWaalsContact O-N 3.15Å; L1244-V1248 HydrophobicContact CD1-CG2 4.32Å; L1244-V1248 VanDerWaalsContact O-CG2 3.3Å; L1244-V1248 WeakPolarHBondContact O-CG2 3.3Å; L1244-V1248 PolarHBondContact O-N 3.12Å; L1244-T1278 WeakPolarHBondContact CD1-O 3.3Å; L1244-L1279 HydrophobicContact CD1-CD1 4.32Å; L1244-L1279 HydrophobicContact CD1-CD2 4.3Å; L1244-L1279 HydrophobicContact CD2-CD1 4.08Å; L1244-L1279 HydrophobicContact CD2-CD2 4.22Å; L1244-L1279 HydrophobicContact CG-CD1 4.35Å; L1244-L1279 HydrophobicContact CG-CD2 4.32Å; L1244-P1280 HydrophobicContact CD2-CG 4.22Å; L1244-A1283 HydrophobicContact CD2-CB 4.14Å; L1244-V1323 HydrophobicContact CD2-CG1 3.88Å; L1244-V1323 HydrophobicContact CD2-CG2 4.42Å; L1244-V1323 HydrophobicContact CG-CG1 4Å; L1244-V1323 HydrophobicContact CG-CG2 4.41Å |
| 1245 | A | 78.5 | Confident | 76.7 | Confident | 8.8 Ų | 8.8 | 63.6 Ų | 63.6 | 7% | 0.073 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.7 | -43 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1241 L1242 V1247 V1248 Q1249 V1323 Q1326 | L1241-A1245 VanDerWaalsContact O-CB 3.29Å; L1241-A1245 WeakPolarHBondContact O-CB 3.37Å; L1241-A1245 PolarHBondContact O-N 3.18Å; L1242-A1245 PolarHBondContact O-N 3.16Å; A1245-V1247 PolarHBondContact O-N 3.27Å; A1245-V1248 PolarHBondContact O-N 2.94Å; A1245-Q1249 VanDerWaalsContact O-CB 3.28Å; A1245-Q1249 WeakPolarHBondContact O-CB 3.37Å; A1245-Q1249 PolarHBondContact O-N 3.22Å; A1245-V1323 HydrophobicContact CB-CG2 3.81Å; A1245-Q1326 PolarHBondContact O-OE1 2.98Å; A1245-Q1326 VanDerWaalsContact O-OE1 3.12Å |
| 1246 | A | 79.8 | Confident | 75.2 | Confident | 49.2 Ų | 49.2 | 64.5 Ų | 64.5 | 41% | 0.407 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1242 Q1243 L1244 Q1249 S1250 | L1242-A1246 WeakPolarHBondContact O-CB 3.39Å; L1242-A1246 PolarHBondContact O-N 3.21Å; Q1243-A1246 PolarHBondContact O-N 3.07Å; L1244-A1246 VanDerWaalsContact C-N 3.32Å; L1244-A1246 PolarHBondContact O-N 2.98Å; A1246-Q1249 PolarHBondContact O-N 3.38Å; A1246-S1250 VanDerWaalsContact O-CB 3.23Å; A1246-S1250 WeakPolarHBondContact O-CB 3.34Å; A1246-S1250 PolarHBondContact O-N 3.04Å; A1246-S1250 PolarHBondContact O-OG 3.12Å |
| 1247 | V | 79 | Confident | 73.3 | Confident | 56.8 Ų | 56.8 | 72.2 Ų | 72.2 | 34% | 0.344 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.2 | -47.1 | 176.2 | 168.5 | 0 | 0 | 0 | 0 | 111.1 | Q1243 L1244 A1245 Q1249 S1250 K1251 | Q1243-V1247 HydrophobicContact CG-CG2 4.45Å; Q1243-V1247 WeakPolarHBondContact O-CB 3.16Å; Q1243-V1247 VanDerWaalsContact O-CG2 3.3Å; Q1243-V1247 WeakPolarHBondContact O-CG2 3.42Å; Q1243-V1247 PolarHBondContact O-N 3.2Å; L1244-V1247 PolarHBondContact O-N 3.08Å; L1244-V1247 VanDerWaalsContact O-N 3.15Å; A1245-V1247 PolarHBondContact O-N 3.27Å; V1247-Q1249 PolarHBondContact O-N 3.04Å; V1247-S1250 PolarHBondContact O-N 3.11Å; V1247-S1250 PolarHBondContact O-OG 3.24Å; V1247-K1251 HydrophobicContact CG1-CD 4.49Å; V1247-K1251 WeakPolarHBondContact O-CG 3.3Å; V1247-K1251 PolarHBondContact O-N 3.27Å; V1247-K1251 VanDerWaalsContact O-N 3.13Å |
| 1248 | V | 76.1 | Confident | 71.3 | Confident | 0.8 Ų | 0.8 | 75.1 Ų | 75.1 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 178.1 | 175.6 | 0 | 0 | 0 | 0 | 110.5 | L1244 A1245 S1250 K1251 L1252 V1275 L1279 V1323 Q1326 | L1244-V1248 HydrophobicContact CD1-CG2 4.32Å; L1244-V1248 VanDerWaalsContact O-CG2 3.3Å; L1244-V1248 WeakPolarHBondContact O-CG2 3.3Å; L1244-V1248 PolarHBondContact O-N 3.12Å; A1245-V1248 PolarHBondContact O-N 2.94Å; V1248-S1250 VanDerWaalsContact C-N 3.33Å; V1248-S1250 PolarHBondContact O-N 3.05Å; V1248-K1251 PolarHBondContact O-N 3.23Å; V1248-L1252 HydrophobicContact CG1-CD1 4.11Å; V1248-L1252 VanDerWaalsContact O-CB 3.31Å; V1248-L1252 WeakPolarHBondContact O-CB 3.33Å; V1248-L1252 PolarHBondContact O-N 3.13Å; V1248-V1275 HydrophobicContact CG1-CG1 3.96Å; V1248-L1279 HydrophobicContact CG2-CD1 3.96Å; V1248-L1279 HydrophobicContact CG2-CD2 4.01Å; V1248-V1323 HydrophobicContact CG2-CG1 4.36Å; V1248-Q1326 HydrophobicContact CG1-CB 3.63Å; V1248-Q1326 VanDerWaalsContact CG1-OE1 3.27Å |
| 1249 | Q | 74.7 | Confident | 69.4 | Low | 111.2 Ų | 111.2 | 70.5 Ų | 70.5 | 52% | 0.52 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 177 | -170.4 | 178.5 | 16 | 0 | 0 | 112.5 | A1245 A1246 V1247 K1251 L1252 G1253 | A1245-Q1249 VanDerWaalsContact O-CB 3.28Å; A1245-Q1249 WeakPolarHBondContact O-CB 3.37Å; A1245-Q1249 PolarHBondContact O-N 3.22Å; A1246-Q1249 PolarHBondContact O-N 3.38Å; V1247-Q1249 PolarHBondContact O-N 3.04Å; Q1249-K1251 VanDerWaalsContact C-N 3.35Å; Q1249-K1251 PolarHBondContact O-N 3.38Å; Q1249-L1252 PolarHBondContact O-N 3.21Å; Q1249-G1253 PolarHBondContact O-N 3.11Å |
| 1250 | S | 73.9 | Confident | 67.5 | Low | 73.8 Ų | 73.8 | 72.8 Ų | 72.8 | 52% | 0.516 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 177.1 | 88.2 | 0 | 0 | 0 | 0 | 112.3 | A1246 V1247 V1248 L1252 G1253 T1254 | A1246-S1250 VanDerWaalsContact O-CB 3.23Å; A1246-S1250 WeakPolarHBondContact O-CB 3.34Å; A1246-S1250 PolarHBondContact O-N 3.04Å; A1246-S1250 PolarHBondContact O-OG 3.12Å; V1247-S1250 PolarHBondContact O-N 3.11Å; V1247-S1250 PolarHBondContact O-OG 3.24Å; V1248-S1250 VanDerWaalsContact C-N 3.33Å; V1248-S1250 PolarHBondContact O-N 3.05Å; S1250-L1252 PolarHBondContact O-N 2.76Å; S1250-G1253 PolarHBondContact O-N 3.22Å; S1250-T1254 WeakPolarHBondContact O-CG2 3.37Å; S1250-T1254 PolarHBondContact O-N 3.13Å; S1250-T1254 VanDerWaalsContact O-N 3.1Å |
| 1251 | K | 70.9 | Confident | 65.2 | Low | 81 Ų | 81 | 72.2 Ų | 72.2 | 35% | 0.352 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.6 | -40.9 | 175.6 | -71.9 | -160.8 | -176 | -175.1 | 0 | 111.8 | V1247 V1248 Q1249 G1253 T1254 V1255 V1275 T1278 | V1247-K1251 HydrophobicContact CG1-CD 4.49Å; V1247-K1251 WeakPolarHBondContact O-CG 3.3Å; V1247-K1251 PolarHBondContact O-N 3.27Å; V1247-K1251 VanDerWaalsContact O-N 3.13Å; V1248-K1251 PolarHBondContact O-N 3.23Å; Q1249-K1251 VanDerWaalsContact C-N 3.35Å; Q1249-K1251 PolarHBondContact O-N 3.38Å; K1251-G1253 VanDerWaalsContact C-N 3.29Å; K1251-G1253 PolarHBondContact O-N 3.16Å; K1251-T1254 WeakPolarHBondContact O-CA 3.43Å; K1251-T1254 PolarHBondContact O-N 3.03Å; K1251-T1254 PolarHBondContact O-OG1 3.17Å; K1251-V1255 WeakPolarHBondContact O-CG2 3.28Å; K1251-V1255 PolarHBondContact O-N 3.33Å; K1251-V1255 VanDerWaalsContact O-N 3.08Å; K1251-V1275 HydrophobicContact CB-CG2 4.31Å; K1251-T1278 HydrophobicContact CD-CG2 3.67Å; K1251-T1278 HydrophobicContact CG-CG2 4.4Å |
| 1252 | L | 66.2 | Low | 63 | Low | 17.6 Ų | 17.6 | 78.4 Ų | 78.4 | 9% | 0.092 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -58.4 | -42.6 | 174.2 | -159.1 | 63.6 | 0 | 0 | 0 | 111.2 | V1248 Q1249 S1250 T1254 V1255 Y1256 A1329 | V1248-L1252 HydrophobicContact CG1-CD1 4.11Å; V1248-L1252 VanDerWaalsContact O-CB 3.31Å; V1248-L1252 WeakPolarHBondContact O-CB 3.33Å; V1248-L1252 PolarHBondContact O-N 3.13Å; Q1249-L1252 PolarHBondContact O-N 3.21Å; S1250-L1252 PolarHBondContact O-N 2.76Å; L1252-T1254 VanDerWaalsContact C-N 3.32Å; L1252-T1254 PolarHBondContact O-N 3.14Å; L1252-V1255 WeakPolarHBondContact O-CB 3.44Å; L1252-V1255 PolarHBondContact O-N 3.22Å; L1252-V1255 VanDerWaalsContact O-N 3.17Å; L1252-Y1256 HydrophobicContact CD1-CD2 4.13Å; L1252-Y1256 HydrophobicContact CD1-CE2 3.8Å; L1252-Y1256 VanDerWaalsContact CD1-CE2 3.45Å; L1252-Y1256 HydrophobicContact CD2-CE2 4.17Å; L1252-Y1256 HydrophobicContact CG-CD2 3.98Å; L1252-Y1256 HydrophobicContact CG-CE2 3.69Å; L1252-Y1256 VanDerWaalsContact O-CD2 3.29Å; L1252-Y1256 WeakPolarHBondContact O-CD2 3.41Å; L1252-Y1256 PolarHBondContact O-N 3.22Å; L1252-Y1256 VanDerWaalsContact O-N 3.1Å; L1252-A1329 HydrophobicContact CD2-CB 4.21Å |
| 1253 | G | 64.3 | Low | 60.9 | Low | 38.8 Ų | 38.8 | 80.6 Ų | 80.6 | 40% | 0.4 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60 | -35.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q1249 S1250 K1251 K1257 | Q1249-G1253 PolarHBondContact O-N 3.11Å; S1250-G1253 PolarHBondContact O-N 3.22Å; K1251-G1253 VanDerWaalsContact C-N 3.29Å; K1251-G1253 PolarHBondContact O-N 3.16Å; G1253-K1257 VanDerWaalsContact O-CB 3.3Å; G1253-K1257 WeakPolarHBondContact O-CB 3.33Å; G1253-K1257 PolarHBondContact O-N 3.04Å |
| 1254 | T | 64 | Low | 58.6 | Low | 79.8 Ų | 79.8 | 83.6 Ų | 83.6 | 49% | 0.49 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -73 | -30.8 | 175 | 63 | 0 | 0 | 0 | 0 | 113.2 | S1250 K1251 L1252 R1258 | S1250-T1254 WeakPolarHBondContact O-CG2 3.37Å; S1250-T1254 PolarHBondContact O-N 3.13Å; S1250-T1254 VanDerWaalsContact O-N 3.1Å; K1251-T1254 WeakPolarHBondContact O-CA 3.43Å; K1251-T1254 PolarHBondContact O-N 3.03Å; K1251-T1254 PolarHBondContact O-OG1 3.17Å; L1252-T1254 VanDerWaalsContact C-N 3.32Å; L1252-T1254 PolarHBondContact O-N 3.14Å; T1254-R1258 VanDerWaalsContact C-NH1 3.3Å; T1254-R1258 WeakPolarHBondContact O-CG 3.49Å; T1254-R1258 PolarHBondContact O-N 3.16Å; T1254-R1258 PolarHBondContact O-NH1 3.03Å; T1254-R1258 PolarHBondContact OG1-NH1 3.5Å |
| 1255 | V | 60 | Low | 56.5 | Low | 61.6 Ų | 61.6 | 88.4 Ų | 88.4 | 37% | 0.373 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66 | -52.2 | 173.1 | 175.5 | 0 | 0 | 0 | 0 | 109.8 | K1251 L1252 K1257 R1258 S1259 I1273 V1275 | K1251-V1255 WeakPolarHBondContact O-CG2 3.28Å; K1251-V1255 PolarHBondContact O-N 3.33Å; K1251-V1255 VanDerWaalsContact O-N 3.08Å; L1252-V1255 WeakPolarHBondContact O-CB 3.44Å; L1252-V1255 PolarHBondContact O-N 3.22Å; L1252-V1255 VanDerWaalsContact O-N 3.17Å; V1255-K1257 VanDerWaalsContact C-N 3.29Å; V1255-K1257 PolarHBondContact O-N 3.2Å; V1255-R1258 PolarHBondContact O-N 2.95Å; V1255-R1258 VanDerWaalsContact O-N 3.09Å; V1255-S1259 PolarHBondContact O-N 3.1Å; V1255-S1259 VanDerWaalsContact O-N 3.12Å; V1255-S1259 PolarHBondContact O-OG 2.94Å; V1255-I1273 HydrophobicContact CG2-CB 4.12Å; V1255-I1273 HydrophobicContact CG2-CG2 3.88Å; V1255-V1275 HydrophobicContact CG2-CG2 4.44Å |
| 1256 | Y | 54 | Low | 54.5 | Low | 109 Ų | 109 | 92.8 Ų | 92.8 | 43% | 0.427 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.8 | -42.4 | 178.3 | -81.4 | -66.4 | 0 | 0 | 0 | 112.8 | L1252 R1258 S1259 S1260 A1329 | L1252-Y1256 HydrophobicContact CD1-CD2 4.13Å; L1252-Y1256 HydrophobicContact CD1-CE2 3.8Å; L1252-Y1256 VanDerWaalsContact CD1-CE2 3.45Å; L1252-Y1256 HydrophobicContact CD2-CE2 4.17Å; L1252-Y1256 HydrophobicContact CG-CD2 3.98Å; L1252-Y1256 HydrophobicContact CG-CE2 3.69Å; L1252-Y1256 VanDerWaalsContact O-CD2 3.29Å; L1252-Y1256 WeakPolarHBondContact O-CD2 3.41Å; L1252-Y1256 PolarHBondContact O-N 3.22Å; L1252-Y1256 VanDerWaalsContact O-N 3.1Å; Y1256-R1258 VanDerWaalsContact C-N 3.32Å; Y1256-R1258 PolarHBondContact O-N 3.09Å; Y1256-S1259 WeakPolarHBondContact CA-OG 3.44Å; Y1256-S1259 PolarHBondContact O-N 2.94Å; Y1256-S1259 PolarHBondContact O-OG 3.08Å; Y1256-S1260 PolarHBondContact O-N 3.14Å; Y1256-S1260 VanDerWaalsContact O-N 3.12Å; Y1256-S1260 PolarHBondContact O-OG 3.07Å; Y1256-A1329 PolarHBondContact OH-O 3.03Å; Y1256-A1329 VanDerWaalsContact OH-O 3.09Å |
| 1257 | K | 46.9 | Very low | 52.3 | Low | 161.4 Ų | 161.4 | 96.8 Ų | 96.8 | 70% | 0.702 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.6 | -31 | 179.9 | -155 | 174.1 | -179.1 | 179.9 | 0 | 113.4 | G1253 V1255 S1259 S1260 S1261 | G1253-K1257 VanDerWaalsContact O-CB 3.3Å; G1253-K1257 WeakPolarHBondContact O-CB 3.33Å; G1253-K1257 PolarHBondContact O-N 3.04Å; V1255-K1257 VanDerWaalsContact C-N 3.29Å; V1255-K1257 PolarHBondContact O-N 3.2Å; K1257-S1259 VanDerWaalsContact C-N 3.33Å; K1257-S1259 PolarHBondContact O-N 3.28Å; K1257-S1260 PolarHBondContact O-N 3.09Å; K1257-S1260 PolarHBondContact O-OG 3.33Å; K1257-S1261 PolarHBondContact O-N 3.38Å; K1257-S1261 PolarHBondContact O-OG 3.21Å |
| 1258 | R | 40.3 | Very low | 50.3 | Low | 168.8 Ų | 168.8 | 103.9 Ų | 103.9 | 64% | 0.637 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -75.7 | -34.8 | 175.2 | -115.3 | 177.7 | -172.4 | 136.7 | -1.6 | 112.5 | T1254 V1255 Y1256 S1260 S1261 | T1254-R1258 VanDerWaalsContact C-NH1 3.3Å; T1254-R1258 WeakPolarHBondContact O-CG 3.49Å; T1254-R1258 PolarHBondContact O-N 3.16Å; T1254-R1258 PolarHBondContact O-NH1 3.03Å; T1254-R1258 PolarHBondContact OG1-NH1 3.5Å; V1255-R1258 PolarHBondContact O-N 2.95Å; V1255-R1258 VanDerWaalsContact O-N 3.09Å; Y1256-R1258 VanDerWaalsContact C-N 3.32Å; Y1256-R1258 PolarHBondContact O-N 3.09Å; R1258-S1260 PolarHBondContact O-N 3.06Å; R1258-S1261 PolarHBondContact O-N 3.08Å; R1258-S1261 VanDerWaalsContact O-N 3.16Å; R1258-S1261 PolarHBondContact O-OG 3.3Å |
| 1259 | S | 42.3 | Very low | 48.2 | Very low | 89.6 Ų | 89.6 | 108.8 Ų | 108.8 | 63% | 0.627 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.3 | -13.5 | 175.8 | 41.6 | 0 | 0 | 0 | 0 | 114.2 | V1255 Y1256 K1257 | V1255-S1259 PolarHBondContact O-N 3.1Å; V1255-S1259 VanDerWaalsContact O-N 3.12Å; V1255-S1259 PolarHBondContact O-OG 2.94Å; Y1256-S1259 WeakPolarHBondContact CA-OG 3.44Å; Y1256-S1259 PolarHBondContact O-N 2.94Å; Y1256-S1259 PolarHBondContact O-OG 3.08Å; K1257-S1259 VanDerWaalsContact C-N 3.33Å; K1257-S1259 PolarHBondContact O-N 3.28Å |
| 1260 | S | 39.9 | Very low | 46.2 | Very low | 91.4 Ų | 91.4 | 108.3 Ų | 108.3 | 64% | 0.639 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -2 | -179.9 | 67.4 | 0 | 0 | 0 | 0 | 114.7 | Y1256 K1257 R1258 | Y1256-S1260 PolarHBondContact O-N 3.14Å; Y1256-S1260 VanDerWaalsContact O-N 3.12Å; Y1256-S1260 PolarHBondContact O-OG 3.07Å; K1257-S1260 PolarHBondContact O-N 3.09Å; K1257-S1260 PolarHBondContact O-OG 3.33Å; R1258-S1260 PolarHBondContact O-N 3.06Å |
| 1261 | S | 35.8 | Very low | 44.2 | Very low | 66.2 Ų | 66.2 | 108.4 Ų | 108.4 | 46% | 0.463 | 60% | 0.598 | S | S | . | * | trans | -112.1 | 101.4 | 178.3 | 57.8 | 0 | 0 | 0 | 0 | 110.1 | K1257 R1258 Q1263 | K1257-S1261 PolarHBondContact O-N 3.38Å; K1257-S1261 PolarHBondContact O-OG 3.21Å; R1258-S1261 PolarHBondContact O-N 3.08Å; R1258-S1261 VanDerWaalsContact O-N 3.16Å; R1258-S1261 PolarHBondContact O-OG 3.3Å; S1261-Q1263 PolarHBondContact O-N 3.06Å | ||
| 1262 | D | 35.5 | Very low | 42.6 | Very low | 137.8 Ų | 137.8 | 112.7 Ų | 112.7 | 74% | 0.737 | 62% | 0.619 | S | S | * | * | trans | -59.5 | 75.5 | 168.5 | -60.6 | -36.9 | 0 | 0 | 0 | 113.4 | K808 L809 E1264 | K808-D1262 WeakPolarHBondContact CD-OD1 3.28Å; K808-D1262 VanDerWaalsContact CE-OD1 3.31Å; K808-D1262 WeakPolarHBondContact CE-OD1 3.46Å; K808-D1262 IonicContact NZ-OD1 2.67Å; K808-D1262 PolarHBondContact NZ-OD1 2.89Å; L809-D1262 HydrophobicContact CD2-CB 4.12Å; L809-D1262 WeakPolarHBondContact CD2-OD2 3.47Å; L809-D1262 HydrophobicContact CG-CB 4.42Å; D1262-E1264 PolarHBondContact O-N 3.43Å | ||
| 1263 | Q | 35.5 | Very low | 41.5 | Very low | 151.6 Ų | 151.6 | 116.9 Ų | 116.9 | 71% | 0.708 | 64% | 0.64 | S | S | * | * | trans | -103.6 | 93.7 | 171.3 | -157.5 | 79.7 | 39.6 | 0 | 0 | 110 | S1261 D1265 | S1261-Q1263 PolarHBondContact O-N 3.06Å; Q1263-D1265 HydrophobicContact CG-CB 4.36Å; Q1263-D1265 WeakPolarHBondContact CG-OD2 3.01Å; Q1263-D1265 PolarHBondContact NE2-OD2 2.77Å; Q1263-D1265 PolarHBondContact O-N 3.06Å | ||
| 1264 | E | 34.2 | Very low | 40.6 | Very low | 177.8 Ų | 177.8 | 117.6 Ų | 117.6 | 83% | 0.831 | 64% | 0.639 | S | S | * | * | trans | -71.9 | 79.4 | 169.2 | -64.6 | -175.9 | 154.1 | 0 | 0 | 110 | D1262 | D1262-E1264 PolarHBondContact O-N 3.43Š| ||
| 1265 | D | 35.1 | Very low | 40.2 | Very low | 123.4 Ų | 123.4 | 114.4 Ų | 114.4 | 66% | 0.66 | 62% | 0.619 | S | S | * | * | trans | -137.2 | 132.6 | 169.7 | -85.7 | -51.2 | 0 | 0 | 0 | 111 | Q1263 D1267 | Q1263-D1265 HydrophobicContact CG-CB 4.36Å; Q1263-D1265 WeakPolarHBondContact CG-OD2 3.01Å; Q1263-D1265 PolarHBondContact NE2-OD2 2.77Å; Q1263-D1265 PolarHBondContact O-N 3.06Å; D1265-D1267 PolarHBondContact O-N 2.85Å | ||
| 1266 | S | 35.8 | Very low | 40 | Very low | 102.2 Ų | 102.2 | 113.8 Ų | 113.8 | 72% | 0.715 | 62% | 0.618 | S | S | * | * | trans | -10.2 | 112.8 | 174 | 57.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1267 | D | 34.8 | Very low | 40 | Very low | 133 Ų | 133 | 112.9 Ų | 112.9 | 71% | 0.711 | 63% | 0.628 | S | S | * | * | 174 | 112 | 124.4 | -83.7 | -17.8 | 0 | 0 | 0 | 112.8 | D1265 S1269 | D1265-D1267 PolarHBondContact O-N 2.85Å; D1267-S1269 VanDerWaalsContact C-N 3.28Å; D1267-S1269 PolarHBondContact O-N 3.02Å; D1267-S1269 VanDerWaalsContact O-N 3.08Å; D1267-S1269 PolarHBondContact O-OG 3.43Å; D1267-S1269 VanDerWaalsContact O-OG 3.11Å | |||
| 1268 | E | 36.1 | Very low | 40.8 | Very low | 204.2 Ų | 204.2 | 106.4 Ų | 106.4 | 95% | 0.954 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 32.7 | 176.9 | -157.8 | 166.5 | -178.2 | 0 | 0 | 114.5 | ||
| 1269 | S | 32.6 | Very low | 42.3 | Very low | 103.8 Ų | 103.8 | 98.8 Ų | 98.8 | 73% | 0.726 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | 13.6 | -177.1 | 68.3 | 0 | 0 | 0 | 0 | 115.5 | D1267 A1271 | D1267-S1269 VanDerWaalsContact C-N 3.28Å; D1267-S1269 PolarHBondContact O-N 3.02Å; D1267-S1269 VanDerWaalsContact O-N 3.08Å; D1267-S1269 PolarHBondContact O-OG 3.43Å; D1267-S1269 VanDerWaalsContact O-OG 3.11Å; S1269-A1271 PolarHBondContact O-N 2.92Å |
| 1270 | C | 31.8 | Very low | 43.8 | Very low | 100.8 Ų | 100.8 | 96.7 Ų | 96.7 | 68% | 0.681 | 56% | 0.558 | S | S | * | * | trans | -113.3 | 49.2 | 179.3 | -87.3 | 0 | 0 | 0 | 0 | 114.8 | H1272 | C1270-H1272 PolarHBondContact O-N 3.39Š| ||
| 1271 | A | 32.1 | Very low | 45.3 | Very low | 76.2 Ų | 76.2 | 98.1 Ų | 98.1 | 63% | 0.63 | 56% | 0.558 | S | S | * | * | trans | -49.3 | 108.2 | 168 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y1046 S1269 I1273 | Y1046-A1271 HydrophobicContact CE1-CB 4.23Å; S1269-A1271 PolarHBondContact O-N 2.92Å; A1271-I1273 VanDerWaalsContact C-N 3.29Å; A1271-I1273 HydrophobicContact CB-CG1 3.85Å; A1271-I1273 PolarHBondContact O-N 3.39Å | ||
| 1272 | H | 38.5 | Very low | 47.1 | Very low | 172.4 Ų | 172.4 | 97.3 Ų | 97.3 | 80% | 0.798 | 55% | 0.552 | S | S | * | * | trans | -16.5 | 86 | 167.6 | -84.3 | -88.9 | 0 | 0 | 0 | 112.6 | C1270 S1274 | C1270-H1272 PolarHBondContact O-N 3.39Å; H1272-S1274 VanDerWaalsContact C-N 3.28Å; H1272-S1274 PolarHBondContact O-N 3.14Å | ||
| 1273 | I | 41.5 | Very low | 49.3 | Very low | 104.8 Ų | 104.8 | 90.8 Ų | 90.8 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | trans | -71.2 | 82.8 | 162 | -57.5 | 178.5 | 0 | 0 | 0 | 107.2 | V1255 A1271 V1275 | V1255-I1273 HydrophobicContact CG2-CB 4.12Å; V1255-I1273 HydrophobicContact CG2-CG2 3.88Å; A1271-I1273 VanDerWaalsContact C-N 3.29Å; A1271-I1273 HydrophobicContact CB-CG1 3.85Å; A1271-I1273 PolarHBondContact O-N 3.39Å; I1273-V1275 VanDerWaalsContact C-N 3.32Å; I1273-V1275 PolarHBondContact O-N 3.28Å; I1273-V1275 VanDerWaalsContact O-N 3.14Å | ||
| 1274 | S | 47.1 | Very low | 51.5 | Low | 54.2 Ų | 54.2 | 87.7 Ų | 87.7 | 38% | 0.379 | 50% | 0.499 | S | S | . | . | trans | -69.9 | 105.5 | -179 | 76.2 | 0 | 0 | 0 | 0 | 109.6 | H1272 S1276 S1277 | H1272-S1274 VanDerWaalsContact C-N 3.28Å; H1272-S1274 PolarHBondContact O-N 3.14Å; S1274-S1276 WeakPolarHBondContact CB-OG 3.27Å; S1274-S1276 PolarHBondContact O-N 3.39Å; S1274-S1276 VanDerWaalsContact O-N 3.14Å; S1274-S1276 WeakPolarHBondContact OG-CB 3.38Å; S1274-S1276 PolarHBondContact OG-OG 2.92Å; S1274-S1277 VanDerWaalsContact O-CB 3.32Å; S1274-S1277 WeakPolarHBondContact O-CB 3.49Å; S1274-S1277 PolarHBondContact O-N 3.22Å; S1274-S1277 VanDerWaalsContact O-N 3.1Å; S1274-S1277 PolarHBondContact O-OG 3.16Å; S1274-S1277 PolarHBondContact OG-N 3.02Å | ||
| 1275 | V | 55.3 | Low | 54 | Low | 11.8 Ų | 11.8 | 79.5 Ų | 79.5 | 7% | 0.072 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -57.4 | -28.7 | 174.1 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | V1248 K1251 V1255 I1273 S1277 T1278 L1279 S1330 | V1248-V1275 HydrophobicContact CG1-CG1 3.96Å; K1251-V1275 HydrophobicContact CB-CG2 4.31Å; V1255-V1275 HydrophobicContact CG2-CG2 4.44Å; I1273-V1275 VanDerWaalsContact C-N 3.32Å; I1273-V1275 PolarHBondContact O-N 3.28Å; I1273-V1275 VanDerWaalsContact O-N 3.14Å; V1275-S1277 PolarHBondContact O-N 3.19Å; V1275-S1277 VanDerWaalsContact O-N 3.14Å; V1275-T1278 WeakPolarHBondContact O-CB 3.31Å; V1275-T1278 WeakPolarHBondContact O-CG2 3.46Å; V1275-T1278 PolarHBondContact O-N 3.21Å; V1275-T1278 PolarHBondContact O-OG1 3.2Å; V1275-L1279 HydrophobicContact CG1-CD1 4.48Å; V1275-S1330 WeakPolarHBondContact CB-OG 3.21Å |
| 1276 | S | 54.2 | Low | 56.5 | Low | 49.6 Ų | 49.6 | 77 Ų | 77 | 35% | 0.347 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -52.6 | -29.7 | 172.4 | 70 | 0 | 0 | 0 | 0 | 114 | S1274 T1278 L1279 R1284 E1327 | S1274-S1276 WeakPolarHBondContact CB-OG 3.27Å; S1274-S1276 PolarHBondContact O-N 3.39Å; S1274-S1276 VanDerWaalsContact O-N 3.14Å; S1274-S1276 WeakPolarHBondContact OG-CB 3.38Å; S1274-S1276 PolarHBondContact OG-OG 2.92Å; S1276-T1278 PolarHBondContact O-N 3.26Å; S1276-T1278 VanDerWaalsContact O-N 3.09Å; S1276-L1279 PolarHBondContact O-N 3.18Å; S1276-L1279 VanDerWaalsContact O-N 3.12Å; S1276-R1284 PolarHBondContact O-NH2 3.4Å; S1276-R1284 PolarHBondContact OG-NH2 2.99Å; S1276-E1327 WeakPolarHBondContact CA-OE1 3.17Å; S1276-E1327 WeakPolarHBondContact CB-OE1 3.42Å; S1276-E1327 PolarHBondContact OG-OE1 2.93Å |
| 1277 | S | 55.2 | Low | 58.9 | Low | 90.8 Ų | 90.8 | 75.6 Ų | 75.6 | 64% | 0.635 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -68.7 | -6.8 | 175.2 | 69.2 | 0 | 0 | 0 | 0 | 114.6 | S1274 V1275 | S1274-S1277 VanDerWaalsContact O-CB 3.32Å; S1274-S1277 WeakPolarHBondContact O-CB 3.49Å; S1274-S1277 PolarHBondContact O-N 3.22Å; S1274-S1277 VanDerWaalsContact O-N 3.1Å; S1274-S1277 PolarHBondContact O-OG 3.16Å; S1274-S1277 PolarHBondContact OG-N 3.02Å; V1275-S1277 PolarHBondContact O-N 3.19Å; V1275-S1277 VanDerWaalsContact O-N 3.14Å |
| 1278 | T | 63.5 | Low | 61.4 | Low | 24.8 Ų | 24.8 | 76.8 Ų | 76.8 | 15% | 0.152 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -99.4 | -13.7 | -177.4 | 63.9 | 0 | 0 | 0 | 0 | 115 | L1244 K1251 V1275 S1276 P1280 | L1244-T1278 WeakPolarHBondContact CD1-O 3.3Å; K1251-T1278 HydrophobicContact CD-CG2 3.67Å; K1251-T1278 HydrophobicContact CG-CG2 4.4Å; V1275-T1278 WeakPolarHBondContact O-CB 3.31Å; V1275-T1278 WeakPolarHBondContact O-CG2 3.46Å; V1275-T1278 PolarHBondContact O-N 3.21Å; V1275-T1278 PolarHBondContact O-OG1 3.2Å; S1276-T1278 PolarHBondContact O-N 3.26Å; S1276-T1278 VanDerWaalsContact O-N 3.09Å; T1278-P1280 WeakPolarHBondContact O-CD 3.31Å |
| 1279 | L | 71.1 | Confident | 63.9 | Low | 8.4 Ų | 8.4 | 68.6 Ų | 68.6 | 4% | 0.044 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -92.2 | 116.1 | 179.5 | -117.3 | 84.3 | 0 | 0 | 0 | 109.7 | L1244 V1248 V1275 S1276 D1281 A1283 R1284 V1323 E1327 | L1244-L1279 HydrophobicContact CD1-CD1 4.32Å; L1244-L1279 HydrophobicContact CD1-CD2 4.3Å; L1244-L1279 HydrophobicContact CD2-CD1 4.08Å; L1244-L1279 HydrophobicContact CD2-CD2 4.22Å; L1244-L1279 HydrophobicContact CG-CD1 4.35Å; L1244-L1279 HydrophobicContact CG-CD2 4.32Å; V1248-L1279 HydrophobicContact CG2-CD1 3.96Å; V1248-L1279 HydrophobicContact CG2-CD2 4.01Å; V1275-L1279 HydrophobicContact CG1-CD1 4.48Å; S1276-L1279 PolarHBondContact O-N 3.18Å; S1276-L1279 VanDerWaalsContact O-N 3.12Å; L1279-D1281 PolarHBondContact O-N 3.31Å; L1279-A1283 HydrophobicContact CD1-CB 3.7Å; L1279-A1283 HydrophobicContact CD2-CB 4.31Å; L1279-A1283 HydrophobicContact CG-CB 4.39Å; L1279-R1284 HydrophobicContact CB-CG 4.24Å; L1279-R1284 HydrophobicContact CD2-CG 3.97Å; L1279-R1284 HydrophobicContact CG-CG 3.65Å; L1279-R1284 VanDerWaalsContact O-CZ 3.31Å; L1279-R1284 PolarHBondContact O-NH1 3.2Å; L1279-R1284 VanDerWaalsContact O-NH1 3.09Å; L1279-V1323 HydrophobicContact CD1-CG1 3.27Å; L1279-V1323 VanDerWaalsContact CD1-CG1 3.41Å; L1279-V1323 HydrophobicContact CD2-CG1 3.93Å; L1279-V1323 HydrophobicContact CG-CG1 4.02Å; L1279-E1327 HydrophobicContact CD1-CB 3.92Å; L1279-E1327 HydrophobicContact CD1-CG 4.14Å; L1279-E1327 WeakPolarHBondContact CD1-OE2 3.23Å; L1279-E1327 HydrophobicContact CD2-CB 4.43Å; L1279-E1327 WeakPolarHBondContact CD2-OE2 3.33Å |
| 1280 | P | 74.9 | Confident | 66.6 | Low | 44.6 Ų | 44.6 | 63.6 Ų | 63.6 | 29% | 0.29 | 36% | 0.36 | S | S | . | . | trans | -61.9 | 139.7 | 174 | 16.9 | -21.7 | 0 | 0 | 0 | 110.2 | L1239 L1244 T1278 S1282 A1283 R1284 | L1239-P1280 HydrophobicContact CD1-CB 4.4Å; L1239-P1280 HydrophobicContact CD1-CG 3.92Å; L1239-P1280 HydrophobicContact CD2-CB 4.47Å; L1239-P1280 HydrophobicContact CD2-CG 4.07Å; L1244-P1280 HydrophobicContact CD2-CG 4.22Å; T1278-P1280 WeakPolarHBondContact O-CD 3.31Å; P1280-S1282 PolarHBondContact O-N 3.16Å; P1280-A1283 HydrophobicContact CG-CB 4.15Å; P1280-A1283 WeakPolarHBondContact O-CB 3.37Å; P1280-A1283 PolarHBondContact O-N 3.02Å; P1280-R1284 PolarHBondContact O-N 3.27Å | ||
| 1281 | D | 71.9 | Confident | 69.2 | Low | 121 Ų | 121 | 62.3 Ų | 62.3 | 65% | 0.647 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -58.8 | -24.3 | -175.4 | -67.4 | -48.6 | 0 | 0 | 0 | 113.6 | L1279 A1283 R1284 | L1279-D1281 PolarHBondContact O-N 3.31Å; D1281-A1283 VanDerWaalsContact C-N 3.31Å; D1281-A1283 PolarHBondContact O-N 3.06Å; D1281-A1283 VanDerWaalsContact O-N 3.16Å; D1281-R1284 PolarHBondContact O-N 3.16Å; D1281-R1284 VanDerWaalsContact O-N 3.08Å; D1281-R1284 VanDerWaalsContact OD1-CD 3.27Å; D1281-R1284 WeakPolarHBondContact OD1-CD 3.37Å; D1281-R1284 IonicContact OD1-CZ 3.46Å; D1281-R1284 IonicContact OD1-NE 3.24Å; D1281-R1284 IonicContact OD1-NH1 3.38Å; D1281-R1284 PolarHBondContact OD1-NH1 3.13Å |
| 1282 | S | 73.6 | Confident | 71.9 | Confident | 49.6 Ų | 49.6 | 59.6 Ų | 59.6 | 35% | 0.347 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -65.2 | -26.6 | 172.9 | 34.3 | 0 | 0 | 0 | 0 | 114.1 | R1235 V1236 L1239 P1280 | R1235-S1282 PolarHBondContact NE-O 3.17Å; R1235-S1282 WeakPolarHBondContact O-CB 3.43Å; V1236-S1282 VanDerWaalsContact CG2-O 3.26Å; V1236-S1282 WeakPolarHBondContact CG2-O 3.34Å; L1239-S1282 VanDerWaalsContact CD1-OG 3.27Å; L1239-S1282 WeakPolarHBondContact CD1-OG 3.29Å; P1280-S1282 PolarHBondContact O-N 3.16Å |
| 1283 | A | 79.8 | Confident | 74.3 | Confident | 0.8 Ų | 0.8 | 51.4 Ų | 51.4 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -92.2 | -10.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1236 L1239 L1244 L1279 P1280 D1281 L1285 L1320 N1324 | V1236-A1283 HydrophobicContact CG2-CB 4.49Å; L1239-A1283 HydrophobicContact CD1-CB 3.86Å; L1244-A1283 HydrophobicContact CD2-CB 4.14Å; L1279-A1283 HydrophobicContact CD1-CB 3.7Å; L1279-A1283 HydrophobicContact CD2-CB 4.31Å; L1279-A1283 HydrophobicContact CG-CB 4.39Å; P1280-A1283 HydrophobicContact CG-CB 4.15Å; P1280-A1283 WeakPolarHBondContact O-CB 3.37Å; P1280-A1283 PolarHBondContact O-N 3.02Å; D1281-A1283 VanDerWaalsContact C-N 3.31Å; D1281-A1283 PolarHBondContact O-N 3.06Å; D1281-A1283 VanDerWaalsContact O-N 3.16Å; A1283-L1285 PolarHBondContact O-N 3.16Å; A1283-L1320 HydrophobicContact CB-CD1 3.98Å; A1283-L1320 WeakPolarHBondContact O-CD1 3.3Å; A1283-N1324 PolarHBondContact O-ND2 3.14Å; A1283-N1324 PolarHBondContact O-OD1 2.97Å |
| 1284 | R | 83.1 | Confident | 76.6 | Confident | 86.6 Ų | 86.6 | 46.6 Ų | 46.6 | 33% | 0.327 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 125.5 | -179.7 | -66 | 178.3 | 114.5 | 168.5 | 4.5 | 110.3 | R1235 S1276 L1279 P1280 D1281 E1327 | R1235-R1284 PolarHBondContact NH2-O 3.45Å; S1276-R1284 PolarHBondContact O-NH2 3.4Å; S1276-R1284 PolarHBondContact OG-NH2 2.99Å; L1279-R1284 HydrophobicContact CB-CG 4.24Å; L1279-R1284 HydrophobicContact CD2-CG 3.97Å; L1279-R1284 HydrophobicContact CG-CG 3.65Å; L1279-R1284 VanDerWaalsContact O-CZ 3.31Å; L1279-R1284 PolarHBondContact O-NH1 3.2Å; L1279-R1284 VanDerWaalsContact O-NH1 3.09Å; P1280-R1284 PolarHBondContact O-N 3.27Å; D1281-R1284 PolarHBondContact O-N 3.16Å; D1281-R1284 VanDerWaalsContact O-N 3.08Å; D1281-R1284 VanDerWaalsContact OD1-CD 3.27Å; D1281-R1284 WeakPolarHBondContact OD1-CD 3.37Å; D1281-R1284 IonicContact OD1-CZ 3.46Å; D1281-R1284 IonicContact OD1-NE 3.24Å; D1281-R1284 IonicContact OD1-NH1 3.38Å; D1281-R1284 PolarHBondContact OD1-NH1 3.13Å; R1284-E1327 IonicContact CZ-OE1 3.56Å; R1284-E1327 IonicContact NE-OE1 2.66Å; R1284-E1327 IonicContact NH2-OE1 3.54Å; R1284-E1327 PolarHBondContact NH2-OE1 3.38Å |
| 1285 | L | 86.6 | Confident | 78.5 | Confident | 6.6 Ų | 6.6 | 46.6 Ų | 46.6 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 125.8 | 178.6 | -66.7 | 174.5 | 0 | 0 | 0 | 110.8 | I1232 A1283 I1290 L1320 L1321 N1324 I1385 | I1232-L1285 HydrophobicContact CD1-CD2 4.29Å; I1232-L1285 HydrophobicContact CG2-CD2 4.02Å; A1283-L1285 PolarHBondContact O-N 3.16Å; L1285-I1290 HydrophobicContact CD1-CD1 4.32Å; L1285-L1320 HydrophobicContact CD2-CD2 4.23Å; L1285-L1321 HydrophobicContact CD1-CD2 3.68Å; L1285-N1324 HydrophobicContact CD1-CB 4.42Å; L1285-N1324 PolarHBondContact N-OD1 3.07Å; L1285-N1324 VanDerWaalsContact N-OD1 3.12Å; L1285-I1385 HydrophobicContact CB-CG2 4.44Å |
| 1286 | T | 86.5 | Confident | 80.1 | Confident | 70.2 Ų | 70.2 | 46.4 Ų | 46.4 | 43% | 0.431 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 155.2 | 178.9 | 64.5 | 0 | 0 | 0 | 0 | 111.6 | Q1288 E1289 I1290 | T1286-Q1288 VanDerWaalsContact C-N 3.29Å; T1286-Q1288 PolarHBondContact O-N 3.16Å; T1286-E1289 PolarHBondContact N-OE2 3.2Å; T1286-E1289 VanDerWaalsContact N-OE2 3.09Å; T1286-E1289 WeakPolarHBondContact O-CB 3.26Å; T1286-E1289 PolarHBondContact O-N 3.1Å; T1286-E1289 VanDerWaalsContact O-N 3.12Å; T1286-E1289 WeakPolarHBondContact OG1-CB 3.42Å; T1286-E1289 VanDerWaalsContact OG1-CD 3.3Å; T1286-E1289 WeakPolarHBondContact OG1-CG 3.4Å; T1286-E1289 PolarHBondContact OG1-N 3.35Å; T1286-E1289 PolarHBondContact OG1-OE2 3.25Å; T1286-I1290 PolarHBondContact O-N 3.17Å |
| 1287 | K | 87.1 | Confident | 81.8 | Confident | 74.2 Ų | 74.2 | 44 Ų | 44 | 32% | 0.323 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -46.1 | -50.6 | 175.2 | 174.6 | -179.3 | -179.3 | 170.8 | 0 | 112.8 | E1289 I1290 M1291 E1371 W1375 | K1287-E1289 VanDerWaalsContact C-N 3.33Å; K1287-E1289 PolarHBondContact O-N 3.31Å; K1287-I1290 WeakPolarHBondContact O-CG2 3.38Å; K1287-I1290 PolarHBondContact O-N 3.14Å; K1287-M1291 HydrophobicContact CD-SD 4.28Å; K1287-M1291 VanDerWaalsContact CE-SD 3.54Å; K1287-M1291 WeakPolarHBondContact CE-SD 3.4Å; K1287-M1291 HydrophobicContact CG-CG 4.39Å; K1287-M1291 HydrophobicContact CG-SD 3.74Å; K1287-M1291 WeakPolarHBondContact O-CB 3.43Å; K1287-M1291 VanDerWaalsContact O-CG 3.27Å; K1287-M1291 WeakPolarHBondContact O-CG 3.3Å; K1287-M1291 PolarHBondContact O-N 3.3Å; K1287-E1371 IonicContact NZ-OE1 2.67Å; K1287-E1371 IonicContact NZ-OE2 2.73Å; K1287-E1371 PolarHBondContact NZ-OE2 2.76Å; K1287-W1375 HydrophobicContact CB-CD2 4.37Å; K1287-W1375 HydrophobicContact CB-CE3 3.87Å; K1287-W1375 HydrophobicContact CB-CH2 4.16Å; K1287-W1375 HydrophobicContact CB-CZ2 4.44Å; K1287-W1375 HydrophobicContact CB-CZ3 3.73Å; K1287-W1375 HydrophobicContact CD-CB 4.2Å; K1287-W1375 HydrophobicContact CD-CD2 3.46Å; K1287-W1375 VanDerWaalsContact CD-CD2 3.45Å; K1287-W1375 HydrophobicContact CD-CE3 3.77Å; K1287-W1375 HydrophobicContact CD-CG 3.66Å; K1287-W1375 HydrophobicContact CD-CZ2 4.32Å; K1287-W1375 HydrophobicContact CD-CZ3 4.29Å; K1287-W1375 VanDerWaalsContact CE-CD1 3.47Å; K1287-W1375 VanDerWaalsContact CE-NE1 3.28Å; K1287-W1375 HydrophobicContact CG-CD2 3.8Å; K1287-W1375 HydrophobicContact CG-CE3 3.77Å; K1287-W1375 HydrophobicContact CG-CG 4.41Å; K1287-W1375 HydrophobicContact CG-CH2 3.89Å; K1287-W1375 HydrophobicContact CG-CZ2 3.91Å; K1287-W1375 HydrophobicContact CG-CZ3 3.81Å; K1287-W1375 VanDerWaalsContact NZ-CB 3.31Å; K1287-W1375 VanDerWaalsContact NZ-CG 3.33Å; K1287-W1375 VanDerWaalsContact NZ-NE1 3.15Å |
| 1288 | Q | 86.4 | Confident | 83.4 | Confident | 157.6 Ų | 157.6 | 40.6 Ų | 40.6 | 74% | 0.736 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -66.3 | -39 | -176.2 | -133.1 | -178.9 | 5.5 | 0 | 0 | 111.7 | T1286 S1292 | T1286-Q1288 VanDerWaalsContact C-N 3.29Å; T1286-Q1288 PolarHBondContact O-N 3.16Å; Q1288-S1292 VanDerWaalsContact O-CB 3.26Å; Q1288-S1292 WeakPolarHBondContact O-CB 3.37Å; Q1288-S1292 PolarHBondContact O-N 3.17Å; Q1288-S1292 VanDerWaalsContact O-N 3.15Å; Q1288-S1292 PolarHBondContact O-OG 3.14Å; Q1288-S1292 VanDerWaalsContact O-OG 3.11Å |
| 1289 | E | 88.8 | Confident | 84.4 | Confident | 31.6 Ų | 31.6 | 44.4 Ų | 44.4 | 15% | 0.148 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.2 | -53.9 | 176.9 | -71.4 | 169.9 | 151.9 | 0 | 0 | 110.5 | I1232 R1235 T1286 K1287 M1291 S1292 L1293 | I1232-E1289 HydrophobicContact CD1-CB 4.25Å; I1232-E1289 HydrophobicContact CD1-CG 4.37Å; R1235-E1289 IonicContact CZ-OE1 3.49Å; R1235-E1289 VanDerWaalsContact CZ-OE1 3.3Å; R1235-E1289 IonicContact CZ-OE2 3.59Å; R1235-E1289 IonicContact NE-OE1 2.71Å; R1235-E1289 IonicContact NH1-OE1 3.06Å; R1235-E1289 PolarHBondContact NH1-OE1 3.02Å; R1235-E1289 IonicContact NH1-OE2 3.14Å; R1235-E1289 PolarHBondContact NH1-OE2 3.18Å; R1235-E1289 IonicContact NH2-OE1 3.05Å; R1235-E1289 PolarHBondContact NH2-OE1 3.14Å; R1235-E1289 VanDerWaalsContact NH2-OE1 3.15Å; R1235-E1289 IonicContact NH2-OE2 3.44Å; R1235-E1289 PolarHBondContact NH2-OE2 3.27Å; T1286-E1289 PolarHBondContact N-OE2 3.2Å; T1286-E1289 VanDerWaalsContact N-OE2 3.09Å; T1286-E1289 WeakPolarHBondContact O-CB 3.26Å; T1286-E1289 PolarHBondContact O-N 3.1Å; T1286-E1289 VanDerWaalsContact O-N 3.12Å; T1286-E1289 WeakPolarHBondContact OG1-CB 3.42Å; T1286-E1289 VanDerWaalsContact OG1-CD 3.3Å; T1286-E1289 WeakPolarHBondContact OG1-CG 3.4Å; T1286-E1289 PolarHBondContact OG1-N 3.35Å; T1286-E1289 PolarHBondContact OG1-OE2 3.25Å; K1287-E1289 VanDerWaalsContact C-N 3.33Å; K1287-E1289 PolarHBondContact O-N 3.31Å; E1289-M1291 PolarHBondContact O-N 3.15Å; E1289-S1292 PolarHBondContact O-N 3.17Å; E1289-S1292 VanDerWaalsContact O-N 3.14Å; E1289-S1292 PolarHBondContact O-OG 2.93Å; E1289-L1293 HydrophobicContact CB-CD1 4.47Å; E1289-L1293 WeakPolarHBondContact O-CB 3.46Å; E1289-L1293 WeakPolarHBondContact O-CD1 3.34Å; E1289-L1293 VanDerWaalsContact O-CG 3.23Å; E1289-L1293 WeakPolarHBondContact O-CG 3.42Å; E1289-L1293 PolarHBondContact O-N 3.33Å |
| 1290 | I | 89.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.5 | -38.6 | -175.1 | -165.3 | 58.8 | 0 | 0 | 0 | 113.1 | L1285 T1286 K1287 S1292 L1293 C1294 L1321 W1375 I1385 D1388 C1389 | L1285-I1290 HydrophobicContact CD1-CD1 4.32Å; T1286-I1290 PolarHBondContact O-N 3.17Å; K1287-I1290 WeakPolarHBondContact O-CG2 3.38Å; K1287-I1290 PolarHBondContact O-N 3.14Å; I1290-S1292 VanDerWaalsContact C-N 3.32Å; I1290-S1292 PolarHBondContact O-N 3.17Å; I1290-L1293 HydrophobicContact CD1-CD1 4.49Å; I1290-L1293 PolarHBondContact O-N 3.13Å; I1290-C1294 VanDerWaalsContact O-CB 3.28Å; I1290-C1294 WeakPolarHBondContact O-CB 3.34Å; I1290-C1294 PolarHBondContact O-N 3.06Å; I1290-L1321 HydrophobicContact CD1-CD2 4.25Å; I1290-W1375 HydrophobicContact CG2-CH2 4.38Å; I1290-I1385 HydrophobicContact CG2-CG1 4.32Å; I1290-D1388 HydrophobicContact CD1-CB 4.47Å; I1290-D1388 HydrophobicContact CG1-CB 3.68Å; I1290-C1389 HydrophobicContact CD1-CB 4.47Å; I1290-C1389 VanDerWaalsContact CD1-SG 3.6Å |
| 1291 | M | 86.4 | Confident | 85.6 | Confident | 72.4 Ų | 72.4 | 43.3 Ų | 43.3 | 36% | 0.357 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 175.4 | -71.9 | -178.2 | 73.9 | 0 | 0 | 111.7 | K1287 E1289 C1294 S1295 W1375 | K1287-M1291 HydrophobicContact CD-SD 4.28Å; K1287-M1291 VanDerWaalsContact CE-SD 3.54Å; K1287-M1291 WeakPolarHBondContact CE-SD 3.4Å; K1287-M1291 HydrophobicContact CG-CG 4.39Å; K1287-M1291 HydrophobicContact CG-SD 3.74Å; K1287-M1291 WeakPolarHBondContact O-CB 3.43Å; K1287-M1291 VanDerWaalsContact O-CG 3.27Å; K1287-M1291 WeakPolarHBondContact O-CG 3.3Å; K1287-M1291 PolarHBondContact O-N 3.3Å; E1289-M1291 PolarHBondContact O-N 3.15Å; M1291-C1294 PolarHBondContact O-N 3.3Å; M1291-S1295 PolarHBondContact O-N 3.05Å; M1291-S1295 VanDerWaalsContact O-N 3.11Å; M1291-S1295 PolarHBondContact O-OG 3.43Å; M1291-W1375 HydrophobicContact CG-CZ2 4.31Å; M1291-W1375 HydrophobicContact SD-CZ2 4.23Å |
| 1292 | S | 87.9 | Confident | 86 | Confident | 19 Ų | 19 | 41.8 Ų | 41.8 | 13% | 0.133 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.5 | -45.6 | 177.8 | 70.8 | 0 | 0 | 0 | 0 | 111.9 | R1228 Q1288 E1289 I1290 C1294 S1295 D1296 | R1228-S1292 WeakPolarHBondContact CD-OG 3.41Å; R1228-S1292 VanDerWaalsContact NH1-CB 3.34Å; R1228-S1292 PolarHBondContact NH1-OG 3.08Å; Q1288-S1292 VanDerWaalsContact O-CB 3.26Å; Q1288-S1292 WeakPolarHBondContact O-CB 3.37Å; Q1288-S1292 PolarHBondContact O-N 3.17Å; Q1288-S1292 VanDerWaalsContact O-N 3.15Å; Q1288-S1292 PolarHBondContact O-OG 3.14Å; Q1288-S1292 VanDerWaalsContact O-OG 3.11Å; E1289-S1292 PolarHBondContact O-N 3.17Å; E1289-S1292 VanDerWaalsContact O-N 3.14Å; E1289-S1292 PolarHBondContact O-OG 2.93Å; I1290-S1292 VanDerWaalsContact C-N 3.32Å; I1290-S1292 PolarHBondContact O-N 3.17Å; S1292-C1294 VanDerWaalsContact C-N 3.31Å; S1292-C1294 PolarHBondContact O-N 3.4Å; S1292-S1295 PolarHBondContact O-N 3.23Å; S1292-S1295 VanDerWaalsContact O-N 3.1Å; S1292-S1295 PolarHBondContact O-OG 3.09Å; S1292-S1295 VanDerWaalsContact O-OG 3.08Å; S1292-D1296 VanDerWaalsContact O-CB 3.29Å; S1292-D1296 WeakPolarHBondContact O-CB 3.37Å; S1292-D1296 VanDerWaalsContact O-CG 3.29Å; S1292-D1296 PolarHBondContact O-N 3.18Å |
| 1293 | L | 90.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.7 | -39.3 | 176.3 | -69.5 | 164.2 | 0 | 0 | 0 | 112.5 | F1225 R1228 I1232 E1289 I1290 S1295 D1296 S1297 F1317 T1392 | F1225-L1293 HydrophobicContact CD2-CD2 3.9Å; F1225-L1293 HydrophobicContact CE2-CB 4.43Å; F1225-L1293 HydrophobicContact CE2-CD2 3.73Å; R1228-L1293 HydrophobicContact CB-CD2 4.14Å; I1232-L1293 HydrophobicContact CD1-CD1 3.53Å; I1232-L1293 VanDerWaalsContact CD1-CD1 3.44Å; I1232-L1293 HydrophobicContact CD1-CD2 4.26Å; I1232-L1293 HydrophobicContact CD1-CG 4.33Å; E1289-L1293 HydrophobicContact CB-CD1 4.47Å; E1289-L1293 WeakPolarHBondContact O-CB 3.46Å; E1289-L1293 WeakPolarHBondContact O-CD1 3.34Å; E1289-L1293 VanDerWaalsContact O-CG 3.23Å; E1289-L1293 WeakPolarHBondContact O-CG 3.42Å; E1289-L1293 PolarHBondContact O-N 3.33Å; I1290-L1293 HydrophobicContact CD1-CD1 4.49Å; I1290-L1293 PolarHBondContact O-N 3.13Å; L1293-S1295 VanDerWaalsContact C-N 3.35Å; L1293-D1296 PolarHBondContact O-N 2.9Å; L1293-S1297 WeakPolarHBondContact O-CB 3.4Å; L1293-S1297 PolarHBondContact O-N 3.23Å; L1293-S1297 PolarHBondContact O-OG 3.23Å; L1293-F1317 HydrophobicContact CD1-CE2 4.29Å; L1293-F1317 HydrophobicContact CD1-CZ 3.97Å; L1293-F1317 HydrophobicContact CD2-CZ 4.27Å; L1293-T1392 HydrophobicContact CB-CG2 4.34Å |
| 1294 | C | 89.8 | Confident | 86.4 | Confident | 5.8 Ų | 5.8 | 42.3 Ų | 42.3 | 4% | 0.039 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.3 | -41.6 | 177.2 | -173.3 | 0 | 0 | 0 | 0 | 111.5 | I1290 M1291 S1292 S1297 A1298 D1388 R1391 T1392 N1395 | I1290-C1294 VanDerWaalsContact O-CB 3.28Å; I1290-C1294 WeakPolarHBondContact O-CB 3.34Å; I1290-C1294 PolarHBondContact O-N 3.06Å; M1291-C1294 PolarHBondContact O-N 3.3Å; S1292-C1294 VanDerWaalsContact C-N 3.31Å; S1292-C1294 PolarHBondContact O-N 3.4Å; C1294-S1297 PolarHBondContact O-OG 3.08Å; C1294-S1297 VanDerWaalsContact O-OG 3.11Å; C1294-A1298 WeakPolarHBondContact O-CB 3.45Å; C1294-A1298 PolarHBondContact O-N 3.22Å; C1294-D1388 HydrophobicContact CB-CB 4.39Å; C1294-R1391 VanDerWaalsContact SG-CZ 3.52Å; C1294-R1391 PolarHBondContact SG-NH1 3.41Å; C1294-T1392 WeakPolarHBondContact CA-OG1 3.4Å; C1294-T1392 WeakPolarHBondContact CB-OG1 3.38Å; C1294-N1395 PolarHBondContact O-ND2 2.97Å |
| 1295 | S | 87 | Confident | 86.4 | Confident | 54.2 Ų | 54.2 | 39.6 Ų | 39.6 | 38% | 0.379 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -70.7 | -40.8 | 177.1 | 71.5 | 0 | 0 | 0 | 0 | 112.9 | M1291 S1292 L1293 A1298 K1299 | M1291-S1295 PolarHBondContact O-N 3.05Å; M1291-S1295 VanDerWaalsContact O-N 3.11Å; M1291-S1295 PolarHBondContact O-OG 3.43Å; S1292-S1295 PolarHBondContact O-N 3.23Å; S1292-S1295 VanDerWaalsContact O-N 3.1Å; S1292-S1295 PolarHBondContact O-OG 3.09Å; S1292-S1295 VanDerWaalsContact O-OG 3.08Å; L1293-S1295 VanDerWaalsContact C-N 3.35Å; S1295-A1298 PolarHBondContact O-N 3.16Å; S1295-K1299 WeakPolarHBondContact O-CD 3.47Å; S1295-K1299 VanDerWaalsContact O-CE 3.24Å; S1295-K1299 WeakPolarHBondContact O-CE 3.11Å; S1295-K1299 VanDerWaalsContact O-CG 3.29Å; S1295-K1299 WeakPolarHBondContact O-CG 3.35Å; S1295-K1299 PolarHBondContact O-N 3.06Å; S1295-K1299 VanDerWaalsContact O-N 3.14Å; S1295-K1299 PolarHBondContact OG-NZ 2.94Å |
| 1296 | D | 88.9 | Confident | 86.3 | Confident | 5.8 Ų | 5.8 | 39.3 Ų | 39.3 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.5 | -41.9 | -178.4 | -66.1 | -15.9 | 0 | 0 | 0 | 111.1 | V1221 F1225 R1228 S1292 L1293 A1298 K1299 I1300 | V1221-D1296 HydrophobicContact CG1-CB 4.24Å; F1225-D1296 HydrophobicContact CB-CB 4.12Å; F1225-D1296 HydrophobicContact CD2-CB 3.87Å; F1225-D1296 HydrophobicContact CG-CB 4.38Å; R1228-D1296 IonicContact CZ-OD2 3.29Å; R1228-D1296 IonicContact NE-OD2 2.7Å; R1228-D1296 PolarHBondContact NE-OD2 3.09Å; R1228-D1296 VanDerWaalsContact NE-OD2 3.16Å; R1228-D1296 IonicContact NH1-OD1 3.93Å; R1228-D1296 IonicContact NH1-OD2 3.07Å; R1228-D1296 PolarHBondContact NH1-OD2 3.33Å; S1292-D1296 VanDerWaalsContact O-CB 3.29Å; S1292-D1296 WeakPolarHBondContact O-CB 3.37Å; S1292-D1296 VanDerWaalsContact O-CG 3.29Å; S1292-D1296 PolarHBondContact O-N 3.18Å; L1293-D1296 PolarHBondContact O-N 2.9Å; D1296-A1298 VanDerWaalsContact C-N 3.3Å; D1296-A1298 PolarHBondContact O-N 3.17Å; D1296-K1299 WeakPolarHBondContact O-CB 3.15Å; D1296-K1299 PolarHBondContact O-N 3.15Å; D1296-K1299 VanDerWaalsContact O-N 3.09Å; D1296-K1299 IonicContact OD1-NZ 2.77Å; D1296-K1299 PolarHBondContact OD1-NZ 2.98Å; D1296-I1300 HydrophobicContact CB-CD1 4.46Å; D1296-I1300 WeakPolarHBondContact O-CB 3.43Å; D1296-I1300 WeakPolarHBondContact O-CD1 3.3Å; D1296-I1300 VanDerWaalsContact O-CG1 3.25Å; D1296-I1300 WeakPolarHBondContact O-CG1 3.38Å; D1296-I1300 PolarHBondContact O-N 3.16Å |
| 1297 | S | 89.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.8 | -36.7 | 175.7 | 61.1 | 0 | 0 | 0 | 0 | 112.5 | L1293 C1294 I1300 R1301 M1306 N1395 | L1293-S1297 WeakPolarHBondContact O-CB 3.4Å; L1293-S1297 PolarHBondContact O-N 3.23Å; L1293-S1297 PolarHBondContact O-OG 3.23Å; C1294-S1297 PolarHBondContact O-OG 3.08Å; C1294-S1297 VanDerWaalsContact O-OG 3.11Å; S1297-I1300 PolarHBondContact O-N 3.15Å; S1297-R1301 VanDerWaalsContact O-CB 3.3Å; S1297-R1301 WeakPolarHBondContact O-CB 3.45Å; S1297-R1301 PolarHBondContact O-N 3.29Å; S1297-M1306 WeakPolarHBondContact O-CE 3.06Å; S1297-N1395 PolarHBondContact OG-ND2 3.21Å; S1297-N1395 VanDerWaalsContact OG-ND2 3.12Å |
| 1298 | A | 87 | Confident | 86.1 | Confident | 19 Ų | 19 | 39.2 Ų | 39.2 | 16% | 0.157 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.3 | -50.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | C1294 S1295 D1296 I1300 R1301 F1302 N1395 | C1294-A1298 WeakPolarHBondContact O-CB 3.45Å; C1294-A1298 PolarHBondContact O-N 3.22Å; S1295-A1298 PolarHBondContact O-N 3.16Å; D1296-A1298 VanDerWaalsContact C-N 3.3Å; D1296-A1298 PolarHBondContact O-N 3.17Å; A1298-I1300 VanDerWaalsContact C-N 3.32Å; A1298-I1300 PolarHBondContact O-N 3.11Å; A1298-R1301 WeakPolarHBondContact O-CB 3.41Å; A1298-R1301 PolarHBondContact O-N 3.08Å; A1298-F1302 HydrophobicContact CB-CE2 4.24Å; A1298-F1302 WeakPolarHBondContact O-CD2 3.33Å; A1298-F1302 VanDerWaalsContact O-CE2 3.28Å; A1298-F1302 WeakPolarHBondContact O-CE2 3.39Å; A1298-F1302 WeakPolarHBondContact O-CG 3.35Å; A1298-F1302 PolarHBondContact O-N 3.21Å; A1298-F1302 VanDerWaalsContact O-N 3.09Å; A1298-N1395 PolarHBondContact N-ND2 3.17Å |
| 1299 | K | 86.2 | Confident | 86.1 | Confident | 106 Ų | 106 | 32 Ų | 32 | 46% | 0.461 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58 | -43 | 176.7 | -68.1 | 169.7 | -171.4 | 170.7 | 0 | 112.2 | V1221 S1295 D1296 R1301 F1302 A1303 | V1221-K1299 HydrophobicContact CG1-CB 3.93Å; V1221-K1299 HydrophobicContact CG1-CD 3.85Å; V1221-K1299 HydrophobicContact CG2-CD 4.27Å; S1295-K1299 WeakPolarHBondContact O-CD 3.47Å; S1295-K1299 VanDerWaalsContact O-CE 3.24Å; S1295-K1299 WeakPolarHBondContact O-CE 3.11Å; S1295-K1299 VanDerWaalsContact O-CG 3.29Å; S1295-K1299 WeakPolarHBondContact O-CG 3.35Å; S1295-K1299 PolarHBondContact O-N 3.06Å; S1295-K1299 VanDerWaalsContact O-N 3.14Å; S1295-K1299 PolarHBondContact OG-NZ 2.94Å; D1296-K1299 WeakPolarHBondContact O-CB 3.15Å; D1296-K1299 PolarHBondContact O-N 3.15Å; D1296-K1299 VanDerWaalsContact O-N 3.09Å; D1296-K1299 IonicContact OD1-NZ 2.77Å; D1296-K1299 PolarHBondContact OD1-NZ 2.98Å; K1299-R1301 VanDerWaalsContact C-N 3.34Å; K1299-R1301 PolarHBondContact O-N 2.81Å; K1299-F1302 PolarHBondContact O-N 3.11Å; K1299-A1303 VanDerWaalsContact O-CB 3.29Å; K1299-A1303 WeakPolarHBondContact O-CB 3.25Å; K1299-A1303 PolarHBondContact O-N 3.07Å |
| 1300 | I | 86.1 | Confident | 86.1 | Confident | 2.4 Ų | 2.4 | 34.1 Ų | 34.1 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.3 | -35.3 | -179.5 | -66.4 | 162.8 | 0 | 0 | 0 | 111.6 | V1221 L1222 F1225 D1296 S1297 A1298 F1302 A1303 G1304 S1305 M1306 | V1221-I1300 HydrophobicContact CG1-CD1 4.37Å; V1221-I1300 HydrophobicContact CG1-CG1 4.14Å; L1222-I1300 HydrophobicContact CB-CG1 4.49Å; L1222-I1300 HydrophobicContact CD1-CD1 4.2Å; L1222-I1300 HydrophobicContact CD1-CG1 4.4Å; L1222-I1300 HydrophobicContact CD1-CG2 4.18Å; F1225-I1300 HydrophobicContact CB-CD1 3.26Å; F1225-I1300 HydrophobicContact CD1-CD1 3.65Å; F1225-I1300 HydrophobicContact CD2-CD1 4.11Å; F1225-I1300 HydrophobicContact CE1-CD1 4.41Å; F1225-I1300 HydrophobicContact CG-CD1 3.41Å; F1225-I1300 VanDerWaalsContact CG-CD1 3.47Å; D1296-I1300 HydrophobicContact CB-CD1 4.46Å; D1296-I1300 WeakPolarHBondContact O-CB 3.43Å; D1296-I1300 WeakPolarHBondContact O-CD1 3.3Å; D1296-I1300 VanDerWaalsContact O-CG1 3.25Å; D1296-I1300 WeakPolarHBondContact O-CG1 3.38Å; D1296-I1300 PolarHBondContact O-N 3.16Å; S1297-I1300 PolarHBondContact O-N 3.15Å; A1298-I1300 VanDerWaalsContact C-N 3.32Å; A1298-I1300 PolarHBondContact O-N 3.11Å; I1300-F1302 VanDerWaalsContact C-N 3.29Å; I1300-F1302 PolarHBondContact O-N 2.68Å; I1300-A1303 CarbonylContact O-C 3.48Å; I1300-A1303 PolarHBondContact O-N 3Å; I1300-G1304 PolarHBondContact O-N 3.36Å; I1300-S1305 PolarHBondContact O-N 3.01Å; I1300-S1305 VanDerWaalsContact O-N 3.13Å; I1300-M1306 HydrophobicContact CB-CE 3.94Å; I1300-M1306 HydrophobicContact CG2-CB 4.03Å; I1300-M1306 HydrophobicContact CG2-CE 3.67Å; I1300-M1306 HydrophobicContact CG2-SD 4Å |
| 1301 | R | 85.2 | Confident | 86 | Confident | 26.4 Ų | 26.4 | 36.9 Ų | 36.9 | 10% | 0.1 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.2 | -47.6 | 171.2 | -175 | -174.9 | 65.6 | 137.1 | -3.5 | 111 | E1205 S1297 A1298 K1299 A1303 G1304 N1395 V1398 L1465 | E1205-R1301 VanDerWaalsContact CD-NH2 3.32Å; E1205-R1301 IonicContact OE1-CZ 3.27Å; E1205-R1301 IonicContact OE1-NH1 3.39Å; E1205-R1301 IonicContact OE1-NH2 3.38Å; E1205-R1301 PolarHBondContact OE1-NH2 2.86Å; E1205-R1301 IonicContact OE2-CZ 2.77Å; E1205-R1301 IonicContact OE2-NH1 3.47Å; E1205-R1301 PolarHBondContact OE2-NH1 3.11Å; E1205-R1301 IonicContact OE2-NH2 2.94Å; E1205-R1301 PolarHBondContact OE2-NH2 2.89Å; S1297-R1301 VanDerWaalsContact O-CB 3.3Å; S1297-R1301 WeakPolarHBondContact O-CB 3.45Å; S1297-R1301 PolarHBondContact O-N 3.29Å; A1298-R1301 WeakPolarHBondContact O-CB 3.41Å; A1298-R1301 PolarHBondContact O-N 3.08Å; K1299-R1301 VanDerWaalsContact C-N 3.34Å; K1299-R1301 PolarHBondContact O-N 2.81Å; R1301-A1303 VanDerWaalsContact C-N 3.32Å; R1301-A1303 PolarHBondContact O-N 3.11Å; R1301-G1304 WeakPolarHBondContact O-CA 3.35Å; R1301-G1304 PolarHBondContact O-N 3.04Å; R1301-G1304 VanDerWaalsContact O-N 3.14Å; R1301-N1395 WeakPolarHBondContact CB-O 3.42Å; R1301-N1395 VanDerWaalsContact CD-O 3.3Å; R1301-N1395 WeakPolarHBondContact CD-O 3.29Å; R1301-N1395 WeakPolarHBondContact CG-O 3.23Å; R1301-N1395 PolarHBondContact NE-OD1 3.24Å; R1301-N1395 PolarHBondContact NH1-OD1 3.44Å; R1301-V1398 WeakPolarHBondContact CD-O 3.49Å; R1301-L1465 VanDerWaalsContact CZ-CD2 3.5Å |
| 1302 | F | 78.9 | Confident | 86 | Confident | 88.8 Ų | 88.8 | 35.8 Ų | 35.8 | 39% | 0.389 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.6 | -36.4 | 177.6 | -65.8 | -59 | 0 | 0 | 0 | 112.7 | E1205 A1298 K1299 I1300 G1304 S1921 K1922 | E1205-F1302 WeakPolarHBondContact OE1-CE1 3.48Å; E1205-F1302 WeakPolarHBondContact OE1-CZ 3.33Å; A1298-F1302 HydrophobicContact CB-CE2 4.24Å; A1298-F1302 WeakPolarHBondContact O-CD2 3.33Å; A1298-F1302 VanDerWaalsContact O-CE2 3.28Å; A1298-F1302 WeakPolarHBondContact O-CE2 3.39Å; A1298-F1302 WeakPolarHBondContact O-CG 3.35Å; A1298-F1302 PolarHBondContact O-N 3.21Å; A1298-F1302 VanDerWaalsContact O-N 3.09Å; K1299-F1302 PolarHBondContact O-N 3.11Å; I1300-F1302 VanDerWaalsContact C-N 3.29Å; I1300-F1302 PolarHBondContact O-N 2.68Å; F1302-G1304 PolarHBondContact O-N 3.01Å; F1302-S1921 WeakPolarHBondContact CD1-OG 3.49Å; F1302-S1921 VanDerWaalsContact CE1-O 3.23Å; F1302-S1921 WeakPolarHBondContact CE1-O 3.41Å; F1302-K1922 HydrophobicContact CD2-CG 4.46Å; F1302-K1922 HydrophobicContact CE1-CG 4.12Å; F1302-K1922 HydrophobicContact CE2-CD 4.31Å; F1302-K1922 HydrophobicContact CE2-CG 3.74Å; F1302-K1922 VanDerWaalsContact CE2-CG 3.45Å; F1302-K1922 HydrophobicContact CZ-CB 3.98Å; F1302-K1922 HydrophobicContact CZ-CG 3.55Å |
| 1303 | A | 82 | Confident | 86 | Confident | 37.8 Ų | 37.8 | 40 Ų | 40 | 31% | 0.312 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -3.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | T1218 K1299 I1300 R1301 S1305 | T1218-A1303 HydrophobicContact CG2-CB 3.73Å; K1299-A1303 VanDerWaalsContact O-CB 3.29Å; K1299-A1303 WeakPolarHBondContact O-CB 3.25Å; K1299-A1303 PolarHBondContact O-N 3.07Å; I1300-A1303 CarbonylContact O-C 3.48Å; I1300-A1303 PolarHBondContact O-N 3Å; R1301-A1303 VanDerWaalsContact C-N 3.32Å; R1301-A1303 PolarHBondContact O-N 3.11Å; A1303-S1305 PolarHBondContact O-N 3.15Å; A1303-S1305 PolarHBondContact O-OG 3.15Å |
| 1304 | G | 81.2 | Confident | 86 | Confident | 23.8 Ų | 23.8 | 40 Ų | 40 | 25% | 0.245 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | I1300 R1301 F1302 M1306 P1400 | I1300-G1304 PolarHBondContact O-N 3.36Å; R1301-G1304 WeakPolarHBondContact O-CA 3.35Å; R1301-G1304 PolarHBondContact O-N 3.04Å; R1301-G1304 VanDerWaalsContact O-N 3.14Å; F1302-G1304 PolarHBondContact O-N 3.01Å; G1304-M1306 VanDerWaalsContact C-N 3.34Å; G1304-M1306 PolarHBondContact O-N 3.28Å; G1304-P1400 VanDerWaalsContact CA-CG 3.46Å |
| 1305 | S | 83.1 | Confident | 86.1 | Confident | 31 Ų | 31 | 41.8 Ų | 41.8 | 22% | 0.217 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -93 | 8.1 | -166.5 | -53.4 | 0 | 0 | 0 | 0 | 113.8 | L1222 I1300 A1303 S1307 T1308 | L1222-S1305 VanDerWaalsContact CD1-CB 3.46Å; L1222-S1305 WeakPolarHBondContact CD1-O 3.32Å; I1300-S1305 PolarHBondContact O-N 3.01Å; I1300-S1305 VanDerWaalsContact O-N 3.13Å; A1303-S1305 PolarHBondContact O-N 3.15Å; A1303-S1305 PolarHBondContact O-OG 3.15Å; S1305-S1307 VanDerWaalsContact C-N 3.28Å; S1305-S1307 PolarHBondContact O-N 3.03Å; S1305-T1308 WeakPolarHBondContact O-CB 3.35Å; S1305-T1308 WeakPolarHBondContact O-CG2 3.3Å; S1305-T1308 PolarHBondContact O-N 3.09Å; S1305-T1308 PolarHBondContact O-OG1 3.23Å; S1305-T1308 VanDerWaalsContact O-OG1 3.09Å |
| 1306 | M | 84.5 | Confident | 86.2 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -64.9 | -31.5 | -177.1 | -168.3 | 65.7 | 72.3 | 0 | 0 | 112.8 | F1225 S1297 I1300 G1304 T1308 I1309 L1314 I1396 M1402 | F1225-M1306 HydrophobicContact CE1-SD 4.31Å; S1297-M1306 WeakPolarHBondContact O-CE 3.06Å; I1300-M1306 HydrophobicContact CB-CE 3.94Å; I1300-M1306 HydrophobicContact CG2-CB 4.03Å; I1300-M1306 HydrophobicContact CG2-CE 3.67Å; I1300-M1306 HydrophobicContact CG2-SD 4Å; G1304-M1306 VanDerWaalsContact C-N 3.34Å; G1304-M1306 PolarHBondContact O-N 3.28Å; M1306-T1308 PolarHBondContact O-N 3.18Å; M1306-I1309 PolarHBondContact O-N 3.16Å; M1306-I1309 HydrophobicContact SD-CD1 4.13Å; M1306-L1314 HydrophobicContact SD-CD2 4.4Å; M1306-I1396 HydrophobicContact CE-CB 4.46Å; M1306-I1396 HydrophobicContact CE-CG1 3.87Å; M1306-I1396 HydrophobicContact CG-CG2 4.22Å; M1306-I1396 HydrophobicContact SD-CB 4.43Å; M1306-I1396 HydrophobicContact SD-CG1 3.94Å; M1306-I1396 HydrophobicContact SD-CG2 4.35Å; M1306-M1402 HydrophobicContact CB-CE 4.35Å; M1306-M1402 HydrophobicContact CB-SD 3.69Å; M1306-M1402 HydrophobicContact CG-CE 3.56Å; M1306-M1402 HydrophobicContact CG-SD 3.58Å; M1306-M1402 VanDerWaalsContact CG-SD 3.56Å |
| 1307 | S | 82.2 | Confident | 86.3 | Confident | 51.8 Ų | 51.8 | 42.6 Ų | 42.6 | 36% | 0.362 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -66.7 | -15.4 | -179.7 | 56.6 | 0 | 0 | 0 | 0 | 114.1 | S1305 I1309 | S1305-S1307 VanDerWaalsContact C-N 3.28Å; S1305-S1307 PolarHBondContact O-N 3.03Å; S1307-I1309 VanDerWaalsContact C-N 3.27Å; S1307-I1309 PolarHBondContact O-N 3.08Å |
| 1308 | T | 86.1 | Confident | 86.5 | Confident | 90.6 Ų | 90.6 | 42.6 Ų | 42.6 | 56% | 0.556 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -74.3 | -16.2 | 177.5 | 70.6 | 0 | 0 | 0 | 0 | 113.3 | L1222 S1305 M1306 | L1222-T1308 WeakPolarHBondContact CD1-OG1 3.34Å; S1305-T1308 WeakPolarHBondContact O-CB 3.35Å; S1305-T1308 WeakPolarHBondContact O-CG2 3.3Å; S1305-T1308 PolarHBondContact O-N 3.09Å; S1305-T1308 PolarHBondContact O-OG1 3.23Å; S1305-T1308 VanDerWaalsContact O-OG1 3.09Å; M1306-T1308 PolarHBondContact O-N 3.18Å |
| 1309 | I | 86.8 | Confident | 86.6 | Confident | 6.2 Ų | 6.2 | 42.5 Ų | 42.5 | 3% | 0.032 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -84.5 | 129.9 | -177.3 | -56.1 | 177.4 | 0 | 0 | 0 | 109.1 | L1222 F1225 L1229 M1306 S1307 T1311 L1314 | L1222-I1309 HydrophobicContact CD1-CD1 4.13Å; L1222-I1309 HydrophobicContact CD1-CG1 4.19Å; F1225-I1309 HydrophobicContact CD1-CD1 3.65Å; F1225-I1309 HydrophobicContact CE1-CD1 3.62Å; L1229-I1309 HydrophobicContact CD2-CG2 3.99Å; M1306-I1309 PolarHBondContact O-N 3.16Å; M1306-I1309 HydrophobicContact SD-CD1 4.13Å; S1307-I1309 VanDerWaalsContact C-N 3.27Å; S1307-I1309 PolarHBondContact O-N 3.08Å; I1309-T1311 PolarHBondContact O-N 3.28Å; I1309-L1314 HydrophobicContact CB-CD1 4.12Å; I1309-L1314 HydrophobicContact CB-CD2 4.15Å; I1309-L1314 HydrophobicContact CB-CG 4.11Å; I1309-L1314 HydrophobicContact CD1-CD2 4.4Å; I1309-L1314 HydrophobicContact CG2-CD1 4.39Å; I1309-L1314 HydrophobicContact CG2-CD2 3.79Å; I1309-L1314 HydrophobicContact CG2-CG 3.83Å |
| 1310 | P | 88.2 | Confident | 86.8 | Confident | 74.4 Ų | 74.4 | 37.5 Ų | 37.5 | 48% | 0.483 | 22% | 0.221 | S | C | . | . | trans | -53.7 | 127.7 | -177.3 | -28.9 | 34.9 | 0 | 0 | 0 | 113.5 | G1312 R1313 L1314 | P1310-G1312 VanDerWaalsContact C-N 3.3Å; P1310-G1312 PolarHBondContact O-N 3.3Å; P1310-G1312 VanDerWaalsContact O-N 3.14Å; P1310-R1313 HydrophobicContact CB-CG 4.36Å; P1310-R1313 WeakPolarHBondContact O-CA 3.41Å; P1310-R1313 WeakPolarHBondContact O-CB 3.3Å; P1310-R1313 PolarHBondContact O-N 3.17Å; P1310-R1313 VanDerWaalsContact O-N 3.1Å; P1310-L1314 PolarHBondContact O-N 3.24Å | ||
| 1311 | T | 87.4 | Confident | 87.1 | Confident | 59.6 Ų | 59.6 | 37.4 Ų | 37.4 | 37% | 0.366 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -54.3 | -41.9 | -171.9 | 20.8 | 0 | 0 | 0 | 0 | 113.4 | I1309 R1313 L1314 V1315 P1403 P1405 L1406 | I1309-T1311 PolarHBondContact O-N 3.28Å; T1311-R1313 VanDerWaalsContact C-N 3.29Å; T1311-R1313 PolarHBondContact O-N 3.15Å; T1311-L1314 WeakPolarHBondContact O-CB 3.28Å; T1311-L1314 PolarHBondContact O-N 3.17Å; T1311-L1314 VanDerWaalsContact O-N 3.14Å; T1311-V1315 HydrophobicContact CG2-CG2 4.3Å; T1311-V1315 WeakPolarHBondContact O-CG2 3.44Å; T1311-V1315 PolarHBondContact O-N 3.27Å; T1311-P1403 HydrophobicContact CG2-CB 4Å; T1311-P1403 HydrophobicContact CG2-CG 3.42Å; T1311-P1403 VanDerWaalsContact CG2-CG 3.43Å; T1311-P1403 WeakPolarHBondContact OG1-CG 3.32Å; T1311-P1405 HydrophobicContact CG2-CB 4.5Å; T1311-L1406 HydrophobicContact CG2-CD2 4.02Å; T1311-L1406 HydrophobicContact CG2-CG 4.04Å |
| 1312 | G | 86.8 | Confident | 87.4 | Confident | 50 Ų | 50 | 37 Ų | 37 | 52% | 0.515 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.9 | -32.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P1310 R1316 | P1310-G1312 VanDerWaalsContact C-N 3.3Å; P1310-G1312 PolarHBondContact O-N 3.3Å; P1310-G1312 VanDerWaalsContact O-N 3.14Å; G1312-R1316 PolarHBondContact O-N 2.92Å; G1312-R1316 VanDerWaalsContact O-N 3.16Å |
| 1313 | R | 89.1 | Confident | 87.9 | Confident | 106.2 Ų | 106.2 | 32.7 Ų | 32.7 | 40% | 0.401 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -70.5 | -41.4 | 174 | -66.8 | -175.8 | 158.2 | -178.1 | -1 | 111.1 | S1230 L1233 P1310 T1311 R1316 F1317 | S1230-R1313 PolarHBondContact OG-NH2 3.21Å; L1233-R1313 HydrophobicContact CD1-CB 3.97Å; L1233-R1313 HydrophobicContact CD1-CG 4.28Å; P1310-R1313 HydrophobicContact CB-CG 4.36Å; P1310-R1313 WeakPolarHBondContact O-CA 3.41Å; P1310-R1313 WeakPolarHBondContact O-CB 3.3Å; P1310-R1313 PolarHBondContact O-N 3.17Å; P1310-R1313 VanDerWaalsContact O-N 3.1Å; T1311-R1313 VanDerWaalsContact C-N 3.29Å; T1311-R1313 PolarHBondContact O-N 3.15Å; R1313-R1316 PolarHBondContact O-N 3.05Å; R1313-F1317 WeakPolarHBondContact O-CB 3.34Å; R1313-F1317 PolarHBondContact O-N 3.04Å; R1313-F1317 VanDerWaalsContact O-N 3.11Å |
| 1314 | L | 90.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.2 | -45.2 | 176.3 | -68.2 | 178.6 | 0 | 0 | 0 | 111.6 | L1229 M1306 I1309 P1310 T1311 R1316 F1317 L1318 I1396 M1402 L1406 | L1229-L1314 HydrophobicContact CD2-CD2 4.45Å; M1306-L1314 HydrophobicContact SD-CD2 4.4Å; I1309-L1314 HydrophobicContact CB-CD1 4.12Å; I1309-L1314 HydrophobicContact CB-CD2 4.15Å; I1309-L1314 HydrophobicContact CB-CG 4.11Å; I1309-L1314 HydrophobicContact CD1-CD2 4.4Å; I1309-L1314 HydrophobicContact CG2-CD1 4.39Å; I1309-L1314 HydrophobicContact CG2-CD2 3.79Å; I1309-L1314 HydrophobicContact CG2-CG 3.83Å; P1310-L1314 PolarHBondContact O-N 3.24Å; T1311-L1314 WeakPolarHBondContact O-CB 3.28Å; T1311-L1314 PolarHBondContact O-N 3.17Å; T1311-L1314 VanDerWaalsContact O-N 3.14Å; L1314-R1316 VanDerWaalsContact C-N 3.35Å; L1314-R1316 PolarHBondContact O-N 3.26Å; L1314-F1317 PolarHBondContact O-N 3.07Å; L1314-F1317 VanDerWaalsContact O-N 3.13Å; L1314-L1318 WeakPolarHBondContact O-CB 3.4Å; L1314-L1318 VanDerWaalsContact O-CG 3.29Å; L1314-L1318 WeakPolarHBondContact O-CG 3.33Å; L1314-L1318 PolarHBondContact O-N 3.05Å; L1314-I1396 HydrophobicContact CD1-CG2 4.41Å; L1314-I1396 HydrophobicContact CD2-CG2 4.24Å; L1314-M1402 HydrophobicContact CD1-CE 3.89Å; L1314-L1406 HydrophobicContact CB-CD1 4.22Å; L1314-L1406 HydrophobicContact CB-CD2 3.56Å; L1314-L1406 VanDerWaalsContact CB-CD2 3.5Å; L1314-L1406 HydrophobicContact CD1-CD1 3.74Å |
| 1315 | V | 90.3 | Very high | 88.7 | Confident | 41.8 Ų | 41.8 | 30.1 Ų | 30.1 | 25% | 0.253 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -55.2 | -52.3 | 175.5 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | T1311 F1317 L1318 T1319 L1406 M1408 | T1311-V1315 HydrophobicContact CG2-CG2 4.3Å; T1311-V1315 WeakPolarHBondContact O-CG2 3.44Å; T1311-V1315 PolarHBondContact O-N 3.27Å; V1315-F1317 VanDerWaalsContact C-N 3.27Å; V1315-F1317 PolarHBondContact O-N 2.97Å; V1315-L1318 PolarHBondContact O-N 3.13Å; V1315-L1318 VanDerWaalsContact O-N 3.11Å; V1315-T1319 PolarHBondContact O-N 3.2Å; V1315-T1319 PolarHBondContact O-OG1 3.06Å; V1315-T1319 VanDerWaalsContact O-OG1 3.06Å; V1315-L1406 HydrophobicContact CB-CD2 4.38Å; V1315-L1406 HydrophobicContact CG2-CD2 3.59Å; V1315-M1408 HydrophobicContact CG1-CE 4.38Å; V1315-M1408 HydrophobicContact CG1-SD 4.21Å |
| 1316 | R | 89.1 | Confident | 88.9 | Confident | 78.6 Ų | 78.6 | 29.5 Ų | 29.5 | 30% | 0.297 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -59.9 | -37.2 | -179.5 | -168.4 | 173.8 | -173.5 | 153.2 | 9.7 | 112.3 | L1233 V1236 E1237 L1239 L1241 G1312 R1313 L1314 T1319 L1320 | L1233-R1316 HydrophobicContact CD2-CB 4.09Å; L1233-R1316 HydrophobicContact CD2-CG 3.93Å; V1236-R1316 PolarHBondContact O-NH2 3.18Å; E1237-R1316 VanDerWaalsContact C-NH2 3.32Å; E1237-R1316 VanDerWaalsContact CA-NH2 3.26Å; E1237-R1316 PolarHBondContact O-NH1 3.15Å; E1237-R1316 PolarHBondContact O-NH2 3.17Å; L1239-R1316 PolarHBondContact O-NH2 3.26Å; L1241-R1316 HydrophobicContact CD1-CG 3.84Å; L1241-R1316 VanDerWaalsContact CD1-O 3.28Å; L1241-R1316 WeakPolarHBondContact CD1-O 3.39Å; G1312-R1316 PolarHBondContact O-N 2.92Å; G1312-R1316 VanDerWaalsContact O-N 3.16Å; R1313-R1316 PolarHBondContact O-N 3.05Å; L1314-R1316 VanDerWaalsContact C-N 3.35Å; L1314-R1316 PolarHBondContact O-N 3.26Å; R1316-T1319 PolarHBondContact O-N 3.27Å; R1316-L1320 PolarHBondContact O-N 3.27Å; R1316-L1320 VanDerWaalsContact O-N 3.15Å |
| 1317 | F | 92.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.7 | -41.1 | 176.3 | -177.6 | -119.7 | 0 | 0 | 0 | 112.8 | F1225 L1229 I1232 L1233 L1293 R1313 L1314 V1315 T1319 L1320 L1321 T1392 I1396 | F1225-F1317 HydrophobicContact CZ-CE1 4.37Å; L1229-F1317 HydrophobicContact CD1-CB 3.59Å; L1229-F1317 HydrophobicContact CD1-CD1 3.79Å; L1229-F1317 HydrophobicContact CD1-CD2 3.51Å; L1229-F1317 HydrophobicContact CD1-CE1 4.33Å; L1229-F1317 HydrophobicContact CD1-CE2 4.11Å; L1229-F1317 HydrophobicContact CD1-CG 3.33Å; L1229-F1317 HydrophobicContact CD1-CZ 4.33Å; I1232-F1317 HydrophobicContact CD1-CE2 4.32Å; I1232-F1317 HydrophobicContact CG2-CD2 4.44Å; I1232-F1317 HydrophobicContact CG2-CE2 4.42Å; L1233-F1317 HydrophobicContact CD2-CB 4.27Å; L1293-F1317 HydrophobicContact CD1-CE2 4.29Å; L1293-F1317 HydrophobicContact CD1-CZ 3.97Å; L1293-F1317 HydrophobicContact CD2-CZ 4.27Å; R1313-F1317 WeakPolarHBondContact O-CB 3.34Å; R1313-F1317 PolarHBondContact O-N 3.04Å; R1313-F1317 VanDerWaalsContact O-N 3.11Å; L1314-F1317 PolarHBondContact O-N 3.07Å; L1314-F1317 VanDerWaalsContact O-N 3.13Å; V1315-F1317 VanDerWaalsContact C-N 3.27Å; V1315-F1317 PolarHBondContact O-N 2.97Å; F1317-T1319 VanDerWaalsContact C-N 3.29Å; F1317-T1319 PolarHBondContact O-N 3.13Å; F1317-L1320 HydrophobicContact CD2-CD2 4.38Å; F1317-L1320 WeakPolarHBondContact O-CB 3.29Å; F1317-L1320 PolarHBondContact O-N 3.27Å; F1317-L1320 VanDerWaalsContact O-N 3.11Å; F1317-L1321 HydrophobicContact CD1-CD1 4.14Å; F1317-L1321 HydrophobicContact CD1-CG 4.48Å; F1317-L1321 HydrophobicContact CE1-CD1 3.74Å; F1317-L1321 HydrophobicContact CE1-CD2 4.43Å; F1317-L1321 HydrophobicContact CE1-CG 4.19Å; F1317-L1321 HydrophobicContact CE2-CD2 4.19Å; F1317-L1321 HydrophobicContact CE2-CG 4.36Å; F1317-L1321 HydrophobicContact CZ-CD1 4.08Å; F1317-L1321 HydrophobicContact CZ-CD2 3.92Å; F1317-L1321 HydrophobicContact CZ-CG 4.11Å; F1317-L1321 WeakPolarHBondContact O-CG 3.44Å; F1317-L1321 PolarHBondContact O-N 2.97Å; F1317-T1392 HydrophobicContact CE1-CG2 4.12Å; F1317-T1392 HydrophobicContact CZ-CG2 4.36Å; F1317-I1396 HydrophobicContact CD1-CD1 3.82Å; F1317-I1396 HydrophobicContact CE1-CD1 3.78Å |
| 1318 | L | 92.4 | Very high | 89 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62 | -36.8 | 174.6 | -69.4 | 177.8 | 0 | 0 | 0 | 111.7 | L1314 V1315 L1321 L1322 A1393 I1396 I1397 L1406 M1408 L1411 | L1314-L1318 WeakPolarHBondContact O-CB 3.4Å; L1314-L1318 VanDerWaalsContact O-CG 3.29Å; L1314-L1318 WeakPolarHBondContact O-CG 3.33Å; L1314-L1318 PolarHBondContact O-N 3.05Å; V1315-L1318 PolarHBondContact O-N 3.13Å; V1315-L1318 VanDerWaalsContact O-N 3.11Å; L1318-L1321 HydrophobicContact CD2-CD1 4.26Å; L1318-L1321 PolarHBondContact O-N 3.17Å; L1318-L1322 WeakPolarHBondContact O-CB 3.41Å; L1318-L1322 PolarHBondContact O-N 3.18Å; L1318-A1393 HydrophobicContact CD2-CB 3.92Å; L1318-I1396 HydrophobicContact CD1-CG2 4.46Å; L1318-I1396 HydrophobicContact CD2-CB 4.3Å; L1318-I1396 HydrophobicContact CD2-CD1 3.96Å; L1318-I1396 HydrophobicContact CD2-CG2 4.3Å; L1318-I1397 HydrophobicContact CD1-CG1 4.32Å; L1318-I1397 HydrophobicContact CD1-CG2 3.93Å; L1318-I1397 HydrophobicContact CD2-CG2 4.45Å; L1318-L1406 HydrophobicContact CD1-CB 4.22Å; L1318-L1406 HydrophobicContact CD1-CD2 4.03Å; L1318-L1406 HydrophobicContact CD1-CG 4.5Å; L1318-M1408 HydrophobicContact CB-CE 3.83Å; L1318-M1408 HydrophobicContact CD1-CE 4.21Å; L1318-L1411 HydrophobicContact CB-CD2 3.87Å; L1318-L1411 HydrophobicContact CD1-CD2 3.9Å; L1318-L1411 HydrophobicContact CD2-CD2 4.06Å; L1318-L1411 HydrophobicContact CG-CD2 4.15Å |
| 1319 | T | 90.2 | Very high | 89 | Confident | 16.8 Ų | 16.8 | 23.9 Ų | 23.9 | 10% | 0.103 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.2 | -40.2 | 172 | -43.7 | 0 | 0 | 0 | 0 | 112 | L1241 L1242 V1315 R1316 F1317 L1321 L1322 V1323 | L1241-T1319 HydrophobicContact CB-CG2 3.76Å; L1242-T1319 HydrophobicContact CD2-CG2 4.11Å; L1242-T1319 HydrophobicContact CG-CG2 4.45Å; V1315-T1319 PolarHBondContact O-N 3.2Å; V1315-T1319 PolarHBondContact O-OG1 3.06Å; V1315-T1319 VanDerWaalsContact O-OG1 3.06Å; R1316-T1319 PolarHBondContact O-N 3.27Å; F1317-T1319 VanDerWaalsContact C-N 3.29Å; F1317-T1319 PolarHBondContact O-N 3.13Å; T1319-L1321 VanDerWaalsContact C-N 3.35Å; T1319-L1321 PolarHBondContact O-N 3.38Å; T1319-L1322 WeakPolarHBondContact O-CB 3.31Å; T1319-L1322 PolarHBondContact O-N 3.13Å; T1319-V1323 WeakPolarHBondContact O-CG2 3.36Å; T1319-V1323 PolarHBondContact O-N 3.32Å; T1319-V1323 VanDerWaalsContact O-N 3.09Å |
| 1320 | L | 90.9 | Very high | 88.7 | Confident | 0.4 Ų | 0.4 | 25.3 Ų | 25.3 | 0% | 0.002 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.8 | -42.1 | 174.7 | 177.3 | 64.2 | 0 | 0 | 0 | 112 | I1232 V1236 L1241 A1283 L1285 R1316 F1317 L1322 V1323 N1324 | I1232-L1320 HydrophobicContact CG2-CD2 3.42Å; I1232-L1320 VanDerWaalsContact CG2-CD2 3.43Å; V1236-L1320 HydrophobicContact CG1-CD1 4.23Å; V1236-L1320 HydrophobicContact CG2-CD1 4.18Å; V1236-L1320 HydrophobicContact CG2-CD2 4.08Å; L1241-L1320 HydrophobicContact CD1-CB 3.95Å; L1241-L1320 HydrophobicContact CD2-CB 4.41Å; L1241-L1320 HydrophobicContact CD2-CD1 3.93Å; A1283-L1320 HydrophobicContact CB-CD1 3.98Å; A1283-L1320 WeakPolarHBondContact O-CD1 3.3Å; L1285-L1320 HydrophobicContact CD2-CD2 4.23Å; R1316-L1320 PolarHBondContact O-N 3.27Å; R1316-L1320 VanDerWaalsContact O-N 3.15Å; F1317-L1320 HydrophobicContact CD2-CD2 4.38Å; F1317-L1320 WeakPolarHBondContact O-CB 3.29Å; F1317-L1320 PolarHBondContact O-N 3.27Å; F1317-L1320 VanDerWaalsContact O-N 3.11Å; L1320-L1322 VanDerWaalsContact C-N 3.33Å; L1320-L1322 PolarHBondContact O-N 3.14Å; L1320-V1323 PolarHBondContact O-N 3.13Å; L1320-N1324 PolarHBondContact O-N 3.14Å; L1320-N1324 VanDerWaalsContact O-N 3.16Å; L1320-N1324 PolarHBondContact O-ND2 3.12Å |
| 1321 | L | 92.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.8 | -40.8 | 174.7 | -65.3 | 180 | 0 | 0 | 0 | 111.2 | L1285 I1290 F1317 L1318 T1319 V1323 N1324 M1325 C1389 T1392 A1393 I1396 | L1285-L1321 HydrophobicContact CD1-CD2 3.68Å; I1290-L1321 HydrophobicContact CD1-CD2 4.25Å; F1317-L1321 HydrophobicContact CD1-CD1 4.14Å; F1317-L1321 HydrophobicContact CD1-CG 4.48Å; F1317-L1321 HydrophobicContact CE1-CD1 3.74Å; F1317-L1321 HydrophobicContact CE1-CD2 4.43Å; F1317-L1321 HydrophobicContact CE1-CG 4.19Å; F1317-L1321 HydrophobicContact CE2-CD2 4.19Å; F1317-L1321 HydrophobicContact CE2-CG 4.36Å; F1317-L1321 HydrophobicContact CZ-CD1 4.08Å; F1317-L1321 HydrophobicContact CZ-CD2 3.92Å; F1317-L1321 HydrophobicContact CZ-CG 4.11Å; F1317-L1321 WeakPolarHBondContact O-CG 3.44Å; F1317-L1321 PolarHBondContact O-N 2.97Å; L1318-L1321 HydrophobicContact CD2-CD1 4.26Å; L1318-L1321 PolarHBondContact O-N 3.17Å; T1319-L1321 VanDerWaalsContact C-N 3.35Å; T1319-L1321 PolarHBondContact O-N 3.38Å; L1321-V1323 VanDerWaalsContact C-N 3.34Å; L1321-V1323 PolarHBondContact O-N 3.27Å; L1321-N1324 PolarHBondContact O-N 3.09Å; L1321-M1325 HydrophobicContact CB-CE 3.79Å; L1321-M1325 WeakPolarHBondContact O-CB 3.32Å; L1321-M1325 WeakPolarHBondContact O-CE 3.17Å; L1321-M1325 VanDerWaalsContact O-CG 3.31Å; L1321-M1325 WeakPolarHBondContact O-CG 3.4Å; L1321-M1325 PolarHBondContact O-N 3.13Å; L1321-C1389 HydrophobicContact CB-CB 4.27Å; L1321-C1389 HydrophobicContact CD2-CB 3.98Å; L1321-T1392 HydrophobicContact CD1-CG2 4Å; L1321-A1393 HydrophobicContact CD1-CB 3.96Å; L1321-I1396 HydrophobicContact CD1-CD1 4.44Å |
| 1322 | L | 91.6 | Very high | 88.2 | Confident | 17.4 Ų | 17.4 | 23.9 Ų | 23.9 | 9% | 0.091 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.3 | -42.7 | 176.9 | -179.8 | 57.7 | 0 | 0 | 0 | 112.1 | L1318 T1319 L1320 N1324 M1325 Q1326 D1410 L1411 | L1318-L1322 WeakPolarHBondContact O-CB 3.41Å; L1318-L1322 PolarHBondContact O-N 3.18Å; T1319-L1322 WeakPolarHBondContact O-CB 3.31Å; T1319-L1322 PolarHBondContact O-N 3.13Å; L1320-L1322 VanDerWaalsContact C-N 3.33Å; L1320-L1322 PolarHBondContact O-N 3.14Å; L1322-N1324 VanDerWaalsContact C-N 3.34Å; L1322-N1324 PolarHBondContact O-N 3.24Å; L1322-M1325 WeakPolarHBondContact O-CB 3.3Å; L1322-M1325 PolarHBondContact O-N 3.32Å; L1322-M1325 VanDerWaalsContact O-N 3.16Å; L1322-Q1326 HydrophobicContact CD1-CG 4.27Å; L1322-Q1326 WeakPolarHBondContact O-CG 3.26Å; L1322-Q1326 PolarHBondContact O-N 3.1Å; L1322-D1410 HydrophobicContact CD2-CB 4.45Å; L1322-L1411 HydrophobicContact CB-CD1 4Å; L1322-L1411 HydrophobicContact CD1-CD1 4.41Å |
| 1323 | V | 88.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.9 | -44.1 | 175.8 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | L1244 A1245 V1248 L1279 T1319 L1320 L1321 M1325 Q1326 E1327 | L1244-V1323 HydrophobicContact CD2-CG1 3.88Å; L1244-V1323 HydrophobicContact CD2-CG2 4.42Å; L1244-V1323 HydrophobicContact CG-CG1 4Å; L1244-V1323 HydrophobicContact CG-CG2 4.41Å; A1245-V1323 HydrophobicContact CB-CG2 3.81Å; V1248-V1323 HydrophobicContact CG2-CG1 4.36Å; L1279-V1323 HydrophobicContact CD1-CG1 3.27Å; L1279-V1323 VanDerWaalsContact CD1-CG1 3.41Å; L1279-V1323 HydrophobicContact CD2-CG1 3.93Å; L1279-V1323 HydrophobicContact CG-CG1 4.02Å; T1319-V1323 WeakPolarHBondContact O-CG2 3.36Å; T1319-V1323 PolarHBondContact O-N 3.32Å; T1319-V1323 VanDerWaalsContact O-N 3.09Å; L1320-V1323 PolarHBondContact O-N 3.13Å; L1321-V1323 VanDerWaalsContact C-N 3.34Å; L1321-V1323 PolarHBondContact O-N 3.27Å; V1323-M1325 VanDerWaalsContact C-N 3.33Å; V1323-M1325 PolarHBondContact O-N 3.01Å; V1323-Q1326 PolarHBondContact O-N 3.07Å; V1323-E1327 PolarHBondContact O-N 3.18Å; V1323-E1327 VanDerWaalsContact O-N 3.14Å |
| 1324 | N | 89.7 | Confident | 87.4 | Confident | 4.6 Ų | 4.6 | 18.7 Ų | 18.7 | 3% | 0.025 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.3 | -32.2 | 176.9 | -76.2 | -102.1 | 0 | 0 | 0 | 112 | A1283 L1285 L1320 L1321 L1322 E1327 A1328 I1385 | A1283-N1324 PolarHBondContact O-ND2 3.14Å; A1283-N1324 PolarHBondContact O-OD1 2.97Å; L1285-N1324 HydrophobicContact CD1-CB 4.42Å; L1285-N1324 PolarHBondContact N-OD1 3.07Å; L1285-N1324 VanDerWaalsContact N-OD1 3.12Å; L1320-N1324 PolarHBondContact O-N 3.14Å; L1320-N1324 VanDerWaalsContact O-N 3.16Å; L1320-N1324 PolarHBondContact O-ND2 3.12Å; L1321-N1324 PolarHBondContact O-N 3.09Å; L1322-N1324 VanDerWaalsContact C-N 3.34Å; L1322-N1324 PolarHBondContact O-N 3.24Å; N1324-E1327 PolarHBondContact O-N 3.27Å; N1324-A1328 PolarHBondContact O-N 2.91Å; N1324-I1385 HydrophobicContact CB-CG2 4.42Å |
| 1325 | M | 90.9 | Very high | 86.7 | Confident | 0.8 Ų | 0.8 | 19 Ų | 19 | 0% | 0.004 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.7 | -39.4 | 172.3 | -75.5 | -178.3 | -116.5 | 0 | 0 | 112.5 | L1321 L1322 V1323 E1327 A1328 A1329 G1386 C1389 A1390 A1393 L1411 I1415 V1418 | L1321-M1325 HydrophobicContact CB-CE 3.79Å; L1321-M1325 WeakPolarHBondContact O-CB 3.32Å; L1321-M1325 WeakPolarHBondContact O-CE 3.17Å; L1321-M1325 VanDerWaalsContact O-CG 3.31Å; L1321-M1325 WeakPolarHBondContact O-CG 3.4Å; L1321-M1325 PolarHBondContact O-N 3.13Å; L1322-M1325 WeakPolarHBondContact O-CB 3.3Å; L1322-M1325 PolarHBondContact O-N 3.32Å; L1322-M1325 VanDerWaalsContact O-N 3.16Å; V1323-M1325 VanDerWaalsContact C-N 3.33Å; V1323-M1325 PolarHBondContact O-N 3.01Å; M1325-E1327 VanDerWaalsContact C-N 3.25Å; M1325-E1327 PolarHBondContact O-N 2.92Å; M1325-A1328 PolarHBondContact O-N 3.25Å; M1325-A1328 VanDerWaalsContact O-N 3.12Å; M1325-A1329 PolarHBondContact O-N 3.37Å; M1325-G1386 WeakPolarHBondContact CG-O 3.44Å; M1325-C1389 HydrophobicContact CE-CB 4.28Å; M1325-C1389 WeakPolarHBondContact CE-O 3.22Å; M1325-C1389 HydrophobicContact CG-CB 3.82Å; M1325-A1390 HydrophobicContact CE-CB 4.44Å; M1325-A1390 HydrophobicContact CG-CB 4.38Å; M1325-A1390 VanDerWaalsContact SD-CA 3.57Å; M1325-A1390 HydrophobicContact SD-CB 3.73Å; M1325-A1393 HydrophobicContact CE-CB 3.76Å; M1325-L1411 HydrophobicContact CE-CD1 3.81Å; M1325-I1415 HydrophobicContact CE-CG1 4.09Å; M1325-I1415 HydrophobicContact SD-CB 4.46Å; M1325-I1415 HydrophobicContact SD-CG1 3.51Å; M1325-I1415 VanDerWaalsContact SD-CG1 3.53Å; M1325-I1415 WeakPolarHBondContact SD-CG1 3.46Å; M1325-V1418 HydrophobicContact CB-CB 4.45Å; M1325-V1418 HydrophobicContact CB-CG1 4.3Å; M1325-V1418 HydrophobicContact CB-CG2 4.02Å; M1325-V1418 HydrophobicContact CG-CG1 4.39Å; M1325-V1418 WeakPolarHBondContact O-CG2 3.42Å; M1325-V1418 HydrophobicContact SD-CG1 4.49Å |
| 1326 | Q | 86.8 | Confident | 85.8 | Confident | 19.6 Ų | 19.6 | 19.6 Ų | 19.6 | 9% | 0.092 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.6 | -31.3 | 179.4 | -71.6 | 173.6 | -11.7 | 0 | 0 | 112.8 | A1245 V1248 L1322 V1323 A1329 S1330 | A1245-Q1326 PolarHBondContact O-OE1 2.98Å; A1245-Q1326 VanDerWaalsContact O-OE1 3.12Å; V1248-Q1326 HydrophobicContact CG1-CB 3.63Å; V1248-Q1326 VanDerWaalsContact CG1-OE1 3.27Å; L1322-Q1326 HydrophobicContact CD1-CG 4.27Å; L1322-Q1326 WeakPolarHBondContact O-CG 3.26Å; L1322-Q1326 PolarHBondContact O-N 3.1Å; V1323-Q1326 PolarHBondContact O-N 3.07Å; Q1326-A1329 PolarHBondContact O-N 3.16Å; Q1326-S1330 PolarHBondContact O-N 3.33Å |
| 1327 | E | 83.3 | Confident | 84.7 | Confident | 20.8 Ų | 20.8 | 19.1 Ų | 19.1 | 10% | 0.097 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.8 | -47.6 | 170.6 | -166.5 | -177.1 | 166.6 | 0 | 0 | 110.4 | S1276 L1279 R1284 V1323 N1324 M1325 A1329 S1330 S1382 | S1276-E1327 WeakPolarHBondContact CA-OE1 3.17Å; S1276-E1327 WeakPolarHBondContact CB-OE1 3.42Å; S1276-E1327 PolarHBondContact OG-OE1 2.93Å; L1279-E1327 HydrophobicContact CD1-CB 3.92Å; L1279-E1327 HydrophobicContact CD1-CG 4.14Å; L1279-E1327 WeakPolarHBondContact CD1-OE2 3.23Å; L1279-E1327 HydrophobicContact CD2-CB 4.43Å; L1279-E1327 WeakPolarHBondContact CD2-OE2 3.33Å; R1284-E1327 IonicContact CZ-OE1 3.56Å; R1284-E1327 IonicContact NE-OE1 2.66Å; R1284-E1327 IonicContact NH2-OE1 3.54Å; R1284-E1327 PolarHBondContact NH2-OE1 3.38Å; V1323-E1327 PolarHBondContact O-N 3.18Å; V1323-E1327 VanDerWaalsContact O-N 3.14Å; N1324-E1327 PolarHBondContact O-N 3.27Å; M1325-E1327 VanDerWaalsContact C-N 3.25Å; M1325-E1327 PolarHBondContact O-N 2.92Å; E1327-A1329 VanDerWaalsContact C-N 3.3Å; E1327-A1329 PolarHBondContact O-N 3.06Å; E1327-S1330 WeakPolarHBondContact O-CB 3.21Å; E1327-S1330 PolarHBondContact O-N 3.27Å; E1327-S1330 PolarHBondContact O-OG 3.21Å; E1327-S1382 VanDerWaalsContact CD-OG 3.27Å; E1327-S1382 WeakPolarHBondContact CG-OG 3.32Å; E1327-S1382 VanDerWaalsContact OE1-CB 3.31Å; E1327-S1382 WeakPolarHBondContact OE1-CB 3.4Å; E1327-S1382 PolarHBondContact OE1-OG 3.08Å |
| 1328 | A | 85.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.5 | -23.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N1324 M1325 S1330 V1331 S1382 V1418 H1421 Q1422 | N1324-A1328 PolarHBondContact O-N 2.91Å; M1325-A1328 PolarHBondContact O-N 3.25Å; M1325-A1328 VanDerWaalsContact O-N 3.12Å; A1328-S1330 VanDerWaalsContact C-N 3.29Å; A1328-S1330 PolarHBondContact O-N 3.18Å; A1328-V1331 PolarHBondContact O-N 3.1Å; A1328-S1382 VanDerWaalsContact CB-O 3.29Å; A1328-S1382 WeakPolarHBondContact CB-O 3.37Å; A1328-V1418 HydrophobicContact CB-CG1 4.18Å; A1328-V1418 HydrophobicContact CB-CG2 3.95Å; A1328-H1421 PolarHBondContact O-CD2 3.39Å; A1328-Q1422 PolarHBondContact O-NE2 3Å; A1328-Q1422 VanDerWaalsContact O-NE2 3.1Å |
| 1329 | A | 85.2 | Confident | 82.1 | Confident | 3.6 Ų | 3.6 | 20.9 Ų | 20.9 | 3% | 0.03 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -11.5 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1252 Y1256 M1325 Q1326 E1327 V1331 V1418 H1421 | L1252-A1329 HydrophobicContact CD2-CB 4.21Å; Y1256-A1329 PolarHBondContact OH-O 3.03Å; Y1256-A1329 VanDerWaalsContact OH-O 3.09Å; M1325-A1329 PolarHBondContact O-N 3.37Å; Q1326-A1329 PolarHBondContact O-N 3.16Å; E1327-A1329 VanDerWaalsContact C-N 3.3Å; E1327-A1329 PolarHBondContact O-N 3.06Å; A1329-V1331 VanDerWaalsContact C-N 3.34Å; A1329-V1418 HydrophobicContact CB-CB 4.38Å; A1329-V1418 HydrophobicContact CB-CG2 4Å; A1329-H1421 PolarHBondContact O-CD2 3.08Å; A1329-H1421 PolarHBondContact O-NE2 3.38Å |
| 1330 | S | 80.7 | Confident | 80.7 | Confident | 36.4 Ų | 36.4 | 23.5 Ų | 23.5 | 26% | 0.255 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -10.6 | 176.3 | 75.8 | 0 | 0 | 0 | 0 | 114.1 | V1275 Q1326 E1327 A1328 | V1275-S1330 WeakPolarHBondContact CB-OG 3.21Å; Q1326-S1330 PolarHBondContact O-N 3.33Å; E1327-S1330 WeakPolarHBondContact O-CB 3.21Å; E1327-S1330 PolarHBondContact O-N 3.27Å; E1327-S1330 PolarHBondContact O-OG 3.21Å; A1328-S1330 VanDerWaalsContact C-N 3.29Å; A1328-S1330 PolarHBondContact O-N 3.18Å |
| 1331 | V | 83.2 | Confident | 79.3 | Confident | 26.4 Ų | 26.4 | 26.7 Ų | 26.7 | 16% | 0.16 | 16% | 0.161 | C | C | . | . | trans | -106.3 | 127.1 | -172.7 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | A1328 A1329 P1333 E1379 H1421 Q1422 | A1328-V1331 PolarHBondContact O-N 3.1Å; A1329-V1331 VanDerWaalsContact C-N 3.34Å; V1331-P1333 VanDerWaalsContact O-CD 3.28Å; V1331-P1333 WeakPolarHBondContact O-CD 3.32Å; V1331-E1379 HydrophobicContact CG1-CB 3.61Å; V1331-E1379 VanDerWaalsContact CG1-CB 3.5Å; V1331-E1379 HydrophobicContact CG1-CG 4.07Å; V1331-E1379 WeakPolarHBondContact CG1-O 3.46Å; V1331-H1421 PolarHBondContact O-CD2 3.01Å; V1331-H1421 PolarHBondContact O-NE2 3.24Å; V1331-Q1422 PolarHBondContact O-NE2 3.08Å; V1331-Q1422 VanDerWaalsContact O-NE2 3.17Å | ||
| 1332 | S | 83.3 | Confident | 77.9 | Confident | 78 Ų | 78 | 28.4 Ų | 28.4 | 55% | 0.545 | 17% | 0.169 | S | C | . | . | trans | -113.6 | 79.3 | -179.9 | -21.4 | 0 | 0 | 0 | 0 | 110.6 | N1334 H1421 | S1332-N1334 PolarHBondContact O-N 3.14Å; S1332-H1421 PolarHBondContact OG-CE1 3.11Å; S1332-H1421 VanDerWaalsContact OG-CE1 3.28Å; S1332-H1421 PolarHBondContact OG-NE2 3.48Å | ||
| 1333 | P | 79.7 | Confident | 76.5 | Confident | 2.8 Ų | 2.8 | 34.9 Ų | 34.9 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | trans | -69.3 | 130.6 | -166.8 | 29.9 | -37.6 | 0 | 0 | 0 | 112.5 | V1331 E1379 W1380 S1383 C1425 N1429 | V1331-P1333 VanDerWaalsContact O-CD 3.28Å; V1331-P1333 WeakPolarHBondContact O-CD 3.32Å; P1333-E1379 WeakPolarHBondContact CA-OE2 3.36Å; P1333-E1379 HydrophobicContact CB-CB 4.05Å; P1333-W1380 HydrophobicContact CB-CD2 3.67Å; P1333-W1380 HydrophobicContact CB-CE3 4Å; P1333-W1380 HydrophobicContact CB-CG 4.06Å; P1333-W1380 HydrophobicContact CB-CH2 4.05Å; P1333-W1380 HydrophobicContact CB-CZ2 3.92Å; P1333-W1380 HydrophobicContact CB-CZ3 4.03Å; P1333-W1380 HydrophobicContact CG-CD2 4.24Å; P1333-W1380 HydrophobicContact CG-CE3 4.05Å; P1333-W1380 HydrophobicContact CG-CH2 4.12Å; P1333-W1380 HydrophobicContact CG-CZ2 4.32Å; P1333-W1380 HydrophobicContact CG-CZ3 4.02Å; P1333-S1383 WeakPolarHBondContact CG-OG 3.37Å; P1333-C1425 HydrophobicContact CG-CB 4.47Å; P1333-N1429 PolarHBondContact O-ND2 3.17Å; P1333-N1429 VanDerWaalsContact O-ND2 3.12Å | ||
| 1334 | N | 78.9 | Confident | 75.2 | Confident | 42.8 Ų | 42.8 | 37.9 Ų | 37.9 | 23% | 0.229 | 21% | 0.208 | C | C | . | . | trans | -107.5 | 130.7 | -177.3 | -170.5 | -8 | 0 | 0 | 0 | 112.3 | S1332 S1336 N1337 E1379 W1380 R1432 | S1332-N1334 PolarHBondContact O-N 3.14Å; N1334-S1336 VanDerWaalsContact C-N 3.29Å; N1334-S1336 VanDerWaalsContact CG-OG 3.25Å; N1334-S1336 PolarHBondContact ND2-OG 3.22Å; N1334-S1336 VanDerWaalsContact ND2-OG 3.09Å; N1334-S1336 PolarHBondContact O-N 3.24Å; N1334-S1336 VanDerWaalsContact O-N 3.16Å; N1334-S1336 PolarHBondContact OD1-N 3.3Å; N1334-S1336 VanDerWaalsContact OD1-N 3.15Å; N1334-S1336 PolarHBondContact OD1-OG 3.22Å; N1334-S1336 VanDerWaalsContact OD1-OG 3.1Å; N1334-N1337 PolarHBondContact O-N 3.2Å; N1334-E1379 PolarHBondContact N-OE2 3Å; N1334-W1380 PolarHBondContact O-NE1 3.07Å; N1334-R1432 PolarHBondContact OD1-NH1 3.4Å; N1334-R1432 VanDerWaalsContact OD1-NH1 3.07Å | ||
| 1335 | I | 76.1 | Confident | 73.9 | Confident | 8 Ų | 8 | 39.1 Ų | 39.1 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.2 | -20.7 | -178.9 | -144 | 149.4 | 0 | 0 | 0 | 113.9 | N1337 I1338 A1339 W1380 N1429 V1433 I1451 L1452 | I1335-N1337 VanDerWaalsContact C-N 3.26Å; I1335-N1337 PolarHBondContact O-N 3.24Å; I1335-I1338 HydrophobicContact CG1-CD1 4.27Å; I1335-I1338 PolarHBondContact O-N 3.2Å; I1335-I1338 VanDerWaalsContact O-N 3.15Å; I1335-A1339 VanDerWaalsContact O-CB 3.27Å; I1335-A1339 WeakPolarHBondContact O-CB 3.45Å; I1335-A1339 PolarHBondContact O-N 3.06Å; I1335-W1380 HydrophobicContact CB-CZ2 4.25Å; I1335-W1380 HydrophobicContact CD1-CZ2 4.36Å; I1335-W1380 HydrophobicContact CG1-CZ2 4.36Å; I1335-N1429 HydrophobicContact CB-CB 4.3Å; I1335-N1429 WeakPolarHBondContact CB-OD1 3.46Å; I1335-N1429 HydrophobicContact CD1-CB 3.65Å; I1335-N1429 HydrophobicContact CG1-CB 4.11Å; I1335-N1429 HydrophobicContact CG2-CB 4.15Å; I1335-N1429 VanDerWaalsContact CG2-OD1 3.3Å; I1335-N1429 WeakPolarHBondContact CG2-OD1 3.39Å; I1335-N1429 PolarHBondContact N-OD1 3.1Å; I1335-N1429 VanDerWaalsContact N-OD1 3.15Å; I1335-V1433 HydrophobicContact CD1-CG2 4Å; I1335-V1433 HydrophobicContact CG1-CG2 4.18Å; I1335-V1433 HydrophobicContact CG2-CG2 3.97Å; I1335-I1451 HydrophobicContact CD1-CG2 3.99Å; I1335-L1452 HydrophobicContact CD1-CD1 4.36Å; I1335-L1452 HydrophobicContact CD1-CD2 4.27Å |
| 1336 | S | 70.1 | Confident | 72.6 | Confident | 53.8 Ų | 53.8 | 45.8 Ų | 45.8 | 38% | 0.376 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.4 | -37.8 | 176.3 | 53.4 | 0 | 0 | 0 | 0 | 112.6 | N1334 I1338 A1339 E1340 | N1334-S1336 VanDerWaalsContact C-N 3.29Å; N1334-S1336 VanDerWaalsContact CG-OG 3.25Å; N1334-S1336 PolarHBondContact ND2-OG 3.22Å; N1334-S1336 VanDerWaalsContact ND2-OG 3.09Å; N1334-S1336 PolarHBondContact O-N 3.24Å; N1334-S1336 VanDerWaalsContact O-N 3.16Å; N1334-S1336 PolarHBondContact OD1-N 3.3Å; N1334-S1336 VanDerWaalsContact OD1-N 3.15Å; N1334-S1336 PolarHBondContact OD1-OG 3.22Å; N1334-S1336 VanDerWaalsContact OD1-OG 3.1Å; S1336-I1338 VanDerWaalsContact C-N 3.26Å; S1336-I1338 PolarHBondContact O-N 2.66Å; S1336-A1339 PolarHBondContact O-N 3.28Å; S1336-E1340 PolarHBondContact O-N 3.2Å |
| 1337 | N | 67 | Low | 71.4 | Confident | 69.8 Ų | 69.8 | 51.2 Ų | 51.2 | 37% | 0.373 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.7 | -41.9 | -176.1 | -59.4 | -3 | 0 | 0 | 0 | 110 | N1334 I1335 A1339 E1340 T1341 E1379 | N1334-N1337 PolarHBondContact O-N 3.2Å; I1335-N1337 VanDerWaalsContact C-N 3.26Å; I1335-N1337 PolarHBondContact O-N 3.24Å; N1337-A1339 VanDerWaalsContact C-N 3.27Å; N1337-A1339 PolarHBondContact O-N 2.98Å; N1337-E1340 PolarHBondContact O-N 3.28Å; N1337-T1341 WeakPolarHBondContact O-CG2 3.42Å; N1337-T1341 PolarHBondContact O-N 3.15Å; N1337-T1341 PolarHBondContact O-OG1 3.14Å; N1337-E1379 PolarHBondContact ND2-OE1 3.25Å; N1337-E1379 PolarHBondContact ND2-OE2 2.86Å |
| 1338 | I | 65.8 | Low | 70.2 | Confident | 1.8 Ų | 1.8 | 58.6 Ų | 58.6 | 1% | 0.009 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.2 | -35.4 | 177.9 | -57.5 | -179 | 0 | 0 | 0 | 112.4 | I1335 S1336 E1340 T1341 H1342 F1369 V1373 L1374 D1377 W1380 P1447 I1451 | I1335-I1338 HydrophobicContact CG1-CD1 4.27Å; I1335-I1338 PolarHBondContact O-N 3.2Å; I1335-I1338 VanDerWaalsContact O-N 3.15Å; S1336-I1338 VanDerWaalsContact C-N 3.26Å; S1336-I1338 PolarHBondContact O-N 2.66Å; I1338-E1340 VanDerWaalsContact C-N 3.3Å; I1338-E1340 PolarHBondContact O-N 3.27Å; I1338-T1341 VanDerWaalsContact CA-OG1 3.25Å; I1338-T1341 WeakPolarHBondContact CA-OG1 3.37Å; I1338-T1341 PolarHBondContact O-N 3.12Å; I1338-T1341 PolarHBondContact O-OG1 3.31Å; I1338-T1341 VanDerWaalsContact O-OG1 3.11Å; I1338-H1342 WeakPolarHBondContact O-CA 3.43Å; I1338-H1342 VanDerWaalsContact O-CB 3.26Å; I1338-H1342 WeakPolarHBondContact O-CB 3.32Å; I1338-H1342 PolarHBondContact O-N 3.13Å; I1338-F1369 HydrophobicContact CG2-CE2 3.46Å; I1338-F1369 VanDerWaalsContact CG2-CE2 3.46Å; I1338-F1369 HydrophobicContact CG2-CZ 3.84Å; I1338-V1373 HydrophobicContact CD1-CG1 4.44Å; I1338-V1373 HydrophobicContact CG2-CG1 3.68Å; I1338-V1373 VanDerWaalsContact CG2-CG1 3.45Å; I1338-L1374 HydrophobicContact CD1-CD2 3.91Å; I1338-D1377 HydrophobicContact CD1-CB 4.03Å; I1338-D1377 HydrophobicContact CG1-CB 4.21Å; I1338-W1380 HydrophobicContact CD1-CB 4.29Å; I1338-W1380 HydrophobicContact CD1-CD2 4.15Å; I1338-W1380 HydrophobicContact CD1-CG 3.79Å; I1338-W1380 VanDerWaalsContact CD1-CG 3.47Å; I1338-W1380 HydrophobicContact CD1-CZ2 3.61Å; I1338-W1380 VanDerWaalsContact CD1-NE1 3.29Å; I1338-W1380 HydrophobicContact CG1-CZ2 4.41Å; I1338-P1447 HydrophobicContact CG2-CG 4.39Å; I1338-I1451 HydrophobicContact CD1-CD1 4Å; I1338-I1451 HydrophobicContact CD1-CG2 4.05Å; I1338-I1451 HydrophobicContact CG2-CD1 3.6Å; I1338-I1451 VanDerWaalsContact CG2-CD1 3.45Å; I1338-I1451 HydrophobicContact CG2-CG1 4.42Å |
| 1339 | A | 63.3 | Low | 68.9 | Low | 34.8 Ų | 34.8 | 64.3 Ų | 64.3 | 29% | 0.288 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1335 S1336 N1337 R1343 | I1335-A1339 VanDerWaalsContact O-CB 3.27Å; I1335-A1339 WeakPolarHBondContact O-CB 3.45Å; I1335-A1339 PolarHBondContact O-N 3.06Å; S1336-A1339 PolarHBondContact O-N 3.28Å; N1337-A1339 VanDerWaalsContact C-N 3.27Å; N1337-A1339 PolarHBondContact O-N 2.98Å; A1339-R1343 WeakPolarHBondContact O-CB 3.32Å; A1339-R1343 VanDerWaalsContact O-CG 3.29Å; A1339-R1343 WeakPolarHBondContact O-CG 3.37Å; A1339-R1343 PolarHBondContact O-N 2.99Å; A1339-R1343 VanDerWaalsContact O-N 3.13Å |
| 1340 | E | 61.7 | Low | 67.6 | Low | 71.8 Ų | 71.8 | 70.1 Ų | 70.1 | 34% | 0.336 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -79.4 | -38.7 | 176.6 | -166 | 56.2 | -145 | 0 | 0 | 112.5 | S1336 N1337 I1338 H1342 R1343 I1344 K1347 | S1336-E1340 PolarHBondContact O-N 3.2Å; N1337-E1340 PolarHBondContact O-N 3.28Å; I1338-E1340 VanDerWaalsContact C-N 3.3Å; I1338-E1340 PolarHBondContact O-N 3.27Å; E1340-H1342 VanDerWaalsContact C-N 3.29Å; E1340-H1342 PolarHBondContact O-N 3.19Å; E1340-R1343 CarbonylContact O-C 3.42Å; E1340-R1343 WeakPolarHBondContact O-CA 3.36Å; E1340-R1343 WeakPolarHBondContact O-CB 3.37Å; E1340-R1343 PolarHBondContact O-N 3.16Å; E1340-R1343 VanDerWaalsContact O-N 3.1Å; E1340-R1343 WeakPolarHBondContact OE1-CD 3.28Å; E1340-R1343 WeakPolarHBondContact OE2-CD 3.23Å; E1340-R1343 IonicContact OE2-CZ 3.7Å; E1340-R1343 IonicContact OE2-NE 3.18Å; E1340-R1343 IonicContact OE2-NH1 3.55Å; E1340-R1343 PolarHBondContact OE2-NH1 3.3Å; E1340-I1344 HydrophobicContact CG-CD1 4.04Å; E1340-I1344 HydrophobicContact CG-CG1 4.35Å; E1340-I1344 WeakPolarHBondContact O-CB 3.32Å; E1340-I1344 VanDerWaalsContact O-CG1 3.27Å; E1340-I1344 WeakPolarHBondContact O-CG1 3.43Å; E1340-I1344 PolarHBondContact O-N 3.31Å; E1340-K1347 IonicContact OE1-NZ 3.76Å; E1340-K1347 PolarHBondContact OE1-NZ 3.19Å |
| 1341 | T | 60.7 | Low | 66.3 | Low | 68 Ų | 68 | 73.5 Ų | 73.5 | 42% | 0.417 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.7 | -37.8 | 173.8 | 57.3 | 0 | 0 | 0 | 0 | 111.9 | N1337 I1338 I1344 A1345 | N1337-T1341 WeakPolarHBondContact O-CG2 3.42Å; N1337-T1341 PolarHBondContact O-N 3.15Å; N1337-T1341 PolarHBondContact O-OG1 3.14Å; I1338-T1341 VanDerWaalsContact CA-OG1 3.25Å; I1338-T1341 WeakPolarHBondContact CA-OG1 3.37Å; I1338-T1341 PolarHBondContact O-N 3.12Å; I1338-T1341 PolarHBondContact O-OG1 3.31Å; I1338-T1341 VanDerWaalsContact O-OG1 3.11Å; T1341-I1344 PolarHBondContact O-N 3.08Å; T1341-A1345 VanDerWaalsContact O-CB 3.3Å; T1341-A1345 WeakPolarHBondContact O-CB 3.38Å; T1341-A1345 PolarHBondContact O-N 3.19Å |
| 1342 | H | 62.7 | Low | 65 | Low | 36.2 Ų | 36.2 | 77 Ų | 77 | 17% | 0.168 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.8 | -38.4 | 172.2 | -175.6 | -82.4 | 0 | 0 | 0 | 112.2 | I1338 E1340 A1345 K1346 F1369 P1447 | I1338-H1342 WeakPolarHBondContact O-CA 3.43Å; I1338-H1342 VanDerWaalsContact O-CB 3.26Å; I1338-H1342 WeakPolarHBondContact O-CB 3.32Å; I1338-H1342 PolarHBondContact O-N 3.13Å; E1340-H1342 VanDerWaalsContact C-N 3.29Å; E1340-H1342 PolarHBondContact O-N 3.19Å; H1342-A1345 PolarHBondContact O-N 3.03Å; H1342-K1346 VanDerWaalsContact O-CB 3.24Å; H1342-K1346 WeakPolarHBondContact O-CB 3.33Å; H1342-K1346 PolarHBondContact O-N 3.18Å; H1342-F1369 AromaticContact CD2-CE1 3.67Å; H1342-F1369 AromaticContact CE1-CE1 3.96Å; H1342-F1369 AromaticContact NE2-CD1 3.7Å; H1342-F1369 AromaticContact NE2-CE1 3.51Å; H1342-F1369 VanDerWaalsContact NE2-CE1 3.31Å; H1342-F1369 WeakPolarHBondContact NE2-CE1 3.28Å; H1342-P1447 HydrophobicContact CB-CG 3.87Å; H1342-P1447 VanDerWaalsContact CD2-CB 3.45Å; H1342-P1447 WeakPolarHBondContact CD2-CB 3.32Å; H1342-P1447 VanDerWaalsContact CE1-CG 3.43Å; H1342-P1447 WeakPolarHBondContact CE1-CG 3.4Å; H1342-P1447 VanDerWaalsContact NE2-CB 3.3Å; H1342-P1447 WeakPolarHBondContact NE2-CB 3.38Å |
| 1343 | R | 62.8 | Low | 63.4 | Low | 152.6 Ų | 152.6 | 79.9 Ų | 79.9 | 58% | 0.576 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.2 | -42.4 | 172.6 | -94.4 | 175.1 | 178.6 | 160.3 | 0.4 | 111.6 | A1339 E1340 K1346 K1347 | A1339-R1343 WeakPolarHBondContact O-CB 3.32Å; A1339-R1343 VanDerWaalsContact O-CG 3.29Å; A1339-R1343 WeakPolarHBondContact O-CG 3.37Å; A1339-R1343 PolarHBondContact O-N 2.99Å; A1339-R1343 VanDerWaalsContact O-N 3.13Å; E1340-R1343 CarbonylContact O-C 3.42Å; E1340-R1343 WeakPolarHBondContact O-CA 3.36Å; E1340-R1343 WeakPolarHBondContact O-CB 3.37Å; E1340-R1343 PolarHBondContact O-N 3.16Å; E1340-R1343 VanDerWaalsContact O-N 3.1Å; E1340-R1343 WeakPolarHBondContact OE1-CD 3.28Å; E1340-R1343 WeakPolarHBondContact OE2-CD 3.23Å; E1340-R1343 IonicContact OE2-CZ 3.7Å; E1340-R1343 IonicContact OE2-NE 3.18Å; E1340-R1343 IonicContact OE2-NH1 3.55Å; E1340-R1343 PolarHBondContact OE2-NH1 3.3Å; R1343-K1346 PolarHBondContact O-N 2.94Å; R1343-K1347 WeakPolarHBondContact O-CB 3.39Å; R1343-K1347 WeakPolarHBondContact O-CD 3.5Å; R1343-K1347 VanDerWaalsContact O-CG 3.27Å; R1343-K1347 WeakPolarHBondContact O-CG 3.38Å; R1343-K1347 PolarHBondContact O-N 3.16Å |
| 1344 | I | 61.3 | Low | 62.2 | Low | 63.2 Ų | 63.2 | 85.7 Ų | 85.7 | 32% | 0.324 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65 | -45.4 | 176.2 | -66.9 | 164.6 | 0 | 0 | 0 | 110.7 | E1340 T1341 K1346 K1347 R1348 | E1340-I1344 HydrophobicContact CG-CD1 4.04Å; E1340-I1344 HydrophobicContact CG-CG1 4.35Å; E1340-I1344 WeakPolarHBondContact O-CB 3.32Å; E1340-I1344 VanDerWaalsContact O-CG1 3.27Å; E1340-I1344 WeakPolarHBondContact O-CG1 3.43Å; E1340-I1344 PolarHBondContact O-N 3.31Å; T1341-I1344 PolarHBondContact O-N 3.08Å; I1344-K1346 VanDerWaalsContact C-N 3.33Å; I1344-K1346 PolarHBondContact O-N 3.03Å; I1344-K1347 WeakPolarHBondContact O-CB 3.42Å; I1344-K1347 PolarHBondContact O-N 3.17Å; I1344-R1348 WeakPolarHBondContact O-CG 3.31Å; I1344-R1348 PolarHBondContact O-N 3.25Å |
| 1345 | A | 62.7 | Low | 61 | Low | 30.8 Ų | 30.8 | 90.3 Ų | 90.3 | 26% | 0.255 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T1341 H1342 R1348 H1349 F1369 V1373 | T1341-A1345 VanDerWaalsContact O-CB 3.3Å; T1341-A1345 WeakPolarHBondContact O-CB 3.38Å; T1341-A1345 PolarHBondContact O-N 3.19Å; H1342-A1345 PolarHBondContact O-N 3.03Å; A1345-R1348 PolarHBondContact O-N 3.14Å; A1345-H1349 WeakPolarHBondContact O-CB 3.37Å; A1345-H1349 PolarHBondContact O-N 3.15Å; A1345-H1349 PolarHBondContact O-ND1 2.72Å; A1345-H1349 VanDerWaalsContact O-ND1 3.11Å; A1345-F1369 HydrophobicContact CB-CE2 4.46Å; A1345-F1369 HydrophobicContact CB-CZ 4.17Å; A1345-V1373 HydrophobicContact CB-CG2 4.46Å |
| 1346 | K | 63.3 | Low | 59.8 | Low | 141.6 Ų | 141.6 | 96.1 Ų | 96.1 | 62% | 0.616 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -66.2 | -38.8 | 175.3 | -169.8 | 174.3 | -178.2 | 178.1 | 0 | 112.4 | H1342 R1343 I1344 H1349 K1350 | H1342-K1346 VanDerWaalsContact O-CB 3.24Å; H1342-K1346 WeakPolarHBondContact O-CB 3.33Å; H1342-K1346 PolarHBondContact O-N 3.18Å; R1343-K1346 PolarHBondContact O-N 2.94Å; I1344-K1346 VanDerWaalsContact C-N 3.33Å; I1344-K1346 PolarHBondContact O-N 3.03Å; K1346-H1349 PolarHBondContact O-N 3.03Å; K1346-K1350 WeakPolarHBondContact O-CB 3.35Å; K1346-K1350 PolarHBondContact O-N 3.04Å |
| 1347 | K | 62.4 | Low | 58.4 | Low | 132.8 Ų | 132.8 | 97.3 Ų | 97.3 | 58% | 0.577 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.6 | -47 | 172.1 | -76.3 | 169 | -179.3 | 171.3 | 0 | 111 | E1340 R1343 I1344 K1350 H1351 | E1340-K1347 IonicContact OE1-NZ 3.76Å; E1340-K1347 PolarHBondContact OE1-NZ 3.19Å; R1343-K1347 WeakPolarHBondContact O-CB 3.39Å; R1343-K1347 WeakPolarHBondContact O-CD 3.5Å; R1343-K1347 VanDerWaalsContact O-CG 3.27Å; R1343-K1347 WeakPolarHBondContact O-CG 3.38Å; R1343-K1347 PolarHBondContact O-N 3.16Å; I1344-K1347 WeakPolarHBondContact O-CB 3.42Å; I1344-K1347 PolarHBondContact O-N 3.17Å; K1347-K1350 PolarHBondContact O-N 3.25Å; K1347-H1351 WeakPolarHBondContact O-CB 3.33Å; K1347-H1351 PolarHBondContact O-N 3.23Å; K1347-H1351 VanDerWaalsContact O-N 3.13Å |
| 1348 | R | 58.5 | Low | 57.3 | Low | 175.6 Ų | 175.6 | 98.3 Ų | 98.3 | 66% | 0.663 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.4 | -44.4 | 175.9 | -73.1 | 178.2 | -179.9 | 150.5 | 0.2 | 112.3 | I1344 A1345 K1350 H1351 N1352 | I1344-R1348 WeakPolarHBondContact O-CG 3.31Å; I1344-R1348 PolarHBondContact O-N 3.25Å; A1345-R1348 PolarHBondContact O-N 3.14Å; R1348-K1350 VanDerWaalsContact C-N 3.34Å; R1348-K1350 PolarHBondContact O-N 3.04Å; R1348-H1351 PolarHBondContact O-N 3.05Å; R1348-N1352 WeakPolarHBondContact O-CB 3.25Å; R1348-N1352 PolarHBondContact O-N 3.17Å; R1348-N1352 VanDerWaalsContact O-N 3.12Å; R1348-N1352 PolarHBondContact O-OD1 3.1Å |
| 1349 | H | 56.9 | Low | 55.9 | Low | 120.2 Ų | 120.2 | 103.3 Ų | 103.3 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.9 | -36.3 | 176.6 | -96.6 | 1.5 | 0 | 0 | 0 | 112.9 | A1345 K1346 R1353 F1369 | A1345-H1349 WeakPolarHBondContact O-CB 3.37Å; A1345-H1349 PolarHBondContact O-N 3.15Å; A1345-H1349 PolarHBondContact O-ND1 2.72Å; A1345-H1349 VanDerWaalsContact O-ND1 3.11Å; K1346-H1349 PolarHBondContact O-N 3.03Å; H1349-R1353 VanDerWaalsContact O-CB 3.23Å; H1349-R1353 WeakPolarHBondContact O-CB 3.38Å; H1349-R1353 PolarHBondContact O-N 3.33Å; H1349-R1353 VanDerWaalsContact O-N 3.13Å; H1349-F1369 AromaticContact CD2-CE2 3.55Å; H1349-F1369 WeakPolarHBondContact CD2-CE2 3.33Å; H1349-F1369 AromaticContact NE2-CE2 3.71Å |
| 1350 | K | 57.6 | Low | 54.5 | Low | 125.4 Ų | 125.4 | 107 Ų | 107 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 173.4 | -172.3 | 178 | 178.8 | -100.7 | 0 | 111.1 | K1346 K1347 R1348 N1352 R1353 E1354 | K1346-K1350 WeakPolarHBondContact O-CB 3.35Å; K1346-K1350 PolarHBondContact O-N 3.04Å; K1347-K1350 PolarHBondContact O-N 3.25Å; R1348-K1350 VanDerWaalsContact C-N 3.34Å; R1348-K1350 PolarHBondContact O-N 3.04Å; K1350-N1352 VanDerWaalsContact C-N 3.35Å; K1350-N1352 PolarHBondContact O-N 3.12Å; K1350-R1353 CarbonylContact O-C 3.57Å; K1350-R1353 PolarHBondContact O-N 3.2Å; K1350-R1353 VanDerWaalsContact O-N 3.11Å; K1350-E1354 WeakPolarHBondContact CE-OE1 3.34Å; K1350-E1354 VanDerWaalsContact NZ-CD 3.32Å; K1350-E1354 IonicContact NZ-OE1 3.1Å; K1350-E1354 PolarHBondContact NZ-OE1 3.1Å; K1350-E1354 IonicContact NZ-OE2 3.11Å; K1350-E1354 PolarHBondContact NZ-OE2 3.2Å; K1350-E1354 WeakPolarHBondContact O-CB 3.49Å; K1350-E1354 WeakPolarHBondContact O-CG 3.33Å; K1350-E1354 PolarHBondContact O-N 3.09Å |
| 1351 | H | 54.9 | Low | 53.4 | Low | 106.6 Ų | 106.6 | 111 Ų | 111 | 49% | 0.494 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62 | -43.2 | 178.7 | -170.4 | -64.3 | 0 | 0 | 0 | 112.5 | K1347 R1348 R1353 E1354 Q1355 | K1347-H1351 WeakPolarHBondContact O-CB 3.33Å; K1347-H1351 PolarHBondContact O-N 3.23Å; K1347-H1351 VanDerWaalsContact O-N 3.13Å; R1348-H1351 PolarHBondContact O-N 3.05Å; H1351-R1353 VanDerWaalsContact C-N 3.3Å; H1351-R1353 PolarHBondContact O-N 2.98Å; H1351-E1354 PolarHBondContact O-N 3.29Å; H1351-Q1355 PolarHBondContact CD2-NE2 3.31Å; H1351-Q1355 PolarHBondContact CE1-NE2 2.98Å; H1351-Q1355 PolarHBondContact NE2-NE2 3.22Å; H1351-Q1355 WeakPolarHBondContact O-CG 3.37Å; H1351-Q1355 PolarHBondContact O-N 3.22Å |
| 1352 | N | 55 | Low | 52.3 | Low | 100.6 Ų | 100.6 | 111.9 Ų | 111.9 | 54% | 0.538 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.6 | -34.3 | 174.3 | -78.7 | 17.1 | 0 | 0 | 0 | 112.3 | R1348 K1350 E1354 Q1355 L1356 | R1348-N1352 WeakPolarHBondContact O-CB 3.25Å; R1348-N1352 PolarHBondContact O-N 3.17Å; R1348-N1352 VanDerWaalsContact O-N 3.12Å; R1348-N1352 PolarHBondContact O-OD1 3.1Å; K1350-N1352 VanDerWaalsContact C-N 3.35Å; K1350-N1352 PolarHBondContact O-N 3.12Å; N1352-E1354 VanDerWaalsContact C-N 3.3Å; N1352-E1354 PolarHBondContact O-N 2.85Å; N1352-Q1355 PolarHBondContact O-N 2.96Å; N1352-L1356 WeakPolarHBondContact O-CB 3.4Å; N1352-L1356 VanDerWaalsContact O-CD1 3.24Å; N1352-L1356 WeakPolarHBondContact O-CD1 3.3Å; N1352-L1356 PolarHBondContact O-N 3.11Å |
| 1353 | R | 50.4 | Low | 51.1 | Low | 138.6 Ų | 138.6 | 114.5 Ų | 114.5 | 52% | 0.523 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -72.5 | -29.1 | 176.8 | -162.9 | 176.7 | -172 | -166.1 | 1.6 | 112.7 | H1349 K1350 H1351 Q1355 L1356 G1357 D1360 | H1349-R1353 VanDerWaalsContact O-CB 3.23Å; H1349-R1353 WeakPolarHBondContact O-CB 3.38Å; H1349-R1353 PolarHBondContact O-N 3.33Å; H1349-R1353 VanDerWaalsContact O-N 3.13Å; K1350-R1353 CarbonylContact O-C 3.57Å; K1350-R1353 PolarHBondContact O-N 3.2Å; K1350-R1353 VanDerWaalsContact O-N 3.11Å; H1351-R1353 VanDerWaalsContact C-N 3.3Å; H1351-R1353 PolarHBondContact O-N 2.98Å; R1353-Q1355 VanDerWaalsContact C-N 3.31Å; R1353-L1356 PolarHBondContact O-N 3.17Å; R1353-G1357 PolarHBondContact O-N 3.17Å; R1353-D1360 PolarHBondContact NH2-O 3.05Å; R1353-D1360 IonicContact NH2-OD1 3.28Å; R1353-D1360 PolarHBondContact NH2-OD1 3.49Å |
| 1354 | E | 54.3 | Low | 49.9 | Very low | 125.6 Ų | 125.6 | 112.1 Ų | 112.1 | 59% | 0.587 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -75.3 | -20.7 | 174.1 | -74.2 | 173.1 | 162.4 | 0 | 0 | 112.4 | K1350 H1351 N1352 | K1350-E1354 WeakPolarHBondContact CE-OE1 3.34Å; K1350-E1354 VanDerWaalsContact NZ-CD 3.32Å; K1350-E1354 IonicContact NZ-OE1 3.1Å; K1350-E1354 PolarHBondContact NZ-OE1 3.1Å; K1350-E1354 IonicContact NZ-OE2 3.11Å; K1350-E1354 PolarHBondContact NZ-OE2 3.2Å; K1350-E1354 WeakPolarHBondContact O-CB 3.49Å; K1350-E1354 WeakPolarHBondContact O-CG 3.33Å; K1350-E1354 PolarHBondContact O-N 3.09Å; H1351-E1354 PolarHBondContact O-N 3.29Å; N1352-E1354 VanDerWaalsContact C-N 3.3Å; N1352-E1354 PolarHBondContact O-N 2.85Å |
| 1355 | Q | 54 | Low | 48.7 | Very low | 139.4 Ų | 139.4 | 118.7 Ų | 118.7 | 65% | 0.651 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -87.7 | -23.9 | 173.3 | -69.8 | -171.7 | -0 | 0 | 0 | 113.9 | H1351 N1352 R1353 | H1351-Q1355 PolarHBondContact CD2-NE2 3.31Å; H1351-Q1355 PolarHBondContact CE1-NE2 2.98Å; H1351-Q1355 PolarHBondContact NE2-NE2 3.22Å; H1351-Q1355 WeakPolarHBondContact O-CG 3.37Å; H1351-Q1355 PolarHBondContact O-N 3.22Å; N1352-Q1355 PolarHBondContact O-N 2.96Å; R1353-Q1355 VanDerWaalsContact C-N 3.31Å |
| 1356 | L | 50.5 | Low | 47.6 | Very low | 129.2 Ų | 129.2 | 122.8 Ų | 122.8 | 68% | 0.676 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -102.6 | 54.9 | 178.8 | -120.8 | 85.1 | 0 | 0 | 0 | 112.1 | N1352 R1353 V1358 | N1352-L1356 WeakPolarHBondContact O-CB 3.4Å; N1352-L1356 VanDerWaalsContact O-CD1 3.24Å; N1352-L1356 WeakPolarHBondContact O-CD1 3.3Å; N1352-L1356 PolarHBondContact O-N 3.11Å; R1353-L1356 PolarHBondContact O-N 3.17Å; L1356-V1358 HydrophobicContact CB-CG2 4.38Å; L1356-V1358 HydrophobicContact CD2-CG2 4.38Å; L1356-V1358 WeakPolarHBondContact O-CG2 3.39Å; L1356-V1358 PolarHBondContact O-N 3.3Å |
| 1357 | G | 40.2 | Very low | 46.6 | Very low | 78.4 Ų | 78.4 | 117.9 Ų | 117.9 | 81% | 0.808 | 62% | 0.62 | S | S | * | * | trans | -29.8 | 34.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | R1353 S1359 | R1353-G1357 PolarHBondContact O-N 3.17Å; G1357-S1359 PolarHBondContact O-N 3.38Å | ||
| 1358 | V | 44.8 | Very low | 45.8 | Very low | 92 Ų | 92 | 118.5 Ų | 118.5 | 56% | 0.558 | 62% | 0.619 | S | S | * | * | trans | -97.5 | 113.8 | 179.2 | -176.5 | 0 | 0 | 0 | 0 | 110.1 | L1356 D1360 | L1356-V1358 HydrophobicContact CB-CG2 4.38Å; L1356-V1358 HydrophobicContact CD2-CG2 4.38Å; L1356-V1358 WeakPolarHBondContact O-CG2 3.39Å; L1356-V1358 PolarHBondContact O-N 3.3Å; V1358-D1360 VanDerWaalsContact C-N 3.3Å; V1358-D1360 HydrophobicContact CG1-CB 4.44Å; V1358-D1360 WeakPolarHBondContact CG1-OD2 3.42Å; V1358-D1360 PolarHBondContact O-N 3.01Å; V1358-D1360 VanDerWaalsContact O-N 3.14Å | ||
| 1359 | S | 35.7 | Very low | 45.2 | Very low | 106.4 Ų | 106.4 | 112.2 Ų | 112.2 | 74% | 0.744 | 60% | 0.597 | S | S | * | * | trans | -81.4 | 78.3 | -177.7 | 170.6 | 0 | 0 | 0 | 0 | 112.7 | G1357 N1361 | G1357-S1359 PolarHBondContact O-N 3.38Å; S1359-N1361 PolarHBondContact O-N 3.05Å | ||
| 1360 | D | 35 | Very low | 45.5 | Very low | 111.2 Ų | 111.2 | 107.6 Ų | 107.6 | 60% | 0.595 | 58% | 0.577 | S | S | * | * | trans | -90.2 | 128.8 | 175.9 | -81.7 | -38.8 | 0 | 0 | 0 | 113.2 | R1353 V1358 S1362 | R1353-D1360 PolarHBondContact NH2-O 3.05Å; R1353-D1360 IonicContact NH2-OD1 3.28Å; R1353-D1360 PolarHBondContact NH2-OD1 3.49Å; V1358-D1360 VanDerWaalsContact C-N 3.3Å; V1358-D1360 HydrophobicContact CG1-CB 4.44Å; V1358-D1360 WeakPolarHBondContact CG1-OD2 3.42Å; V1358-D1360 PolarHBondContact O-N 3.01Å; V1358-D1360 VanDerWaalsContact O-N 3.14Å; D1360-S1362 PolarHBondContact O-N 3.26Å; D1360-S1362 VanDerWaalsContact O-N 3.08Å; D1360-S1362 PolarHBondContact O-OG 3.16Å | ||
| 1361 | N | 38 | Very low | 46.2 | Very low | 157.4 Ų | 157.4 | 103.6 Ų | 103.6 | 84% | 0.842 | 56% | 0.56 | S | S | * | * | trans | -91 | 33.3 | -178.3 | -78.5 | -34.3 | 0 | 0 | 0 | 115.3 | S1359 S1363 | S1359-N1361 PolarHBondContact O-N 3.05Å; N1361-S1363 PolarHBondContact O-N 3.2Å | ||
| 1362 | S | 37.4 | Very low | 47.1 | Very low | 85.2 Ų | 85.2 | 101.8 Ų | 101.8 | 60% | 0.596 | 56% | 0.557 | S | S | * | * | trans | -100.6 | 58.1 | -177.3 | 71.7 | 0 | 0 | 0 | 0 | 113.9 | D1360 T1364 | D1360-S1362 PolarHBondContact O-N 3.26Å; D1360-S1362 VanDerWaalsContact O-N 3.08Å; D1360-S1362 PolarHBondContact O-OG 3.16Å; S1362-T1364 WeakPolarHBondContact CA-OG1 3.49Å; S1362-T1364 WeakPolarHBondContact CB-OG1 3.3Å; S1362-T1364 PolarHBondContact O-N 3.38Å; S1362-T1364 VanDerWaalsContact O-N 3.12Å | ||
| 1363 | S | 38.3 | Very low | 48.1 | Very low | 91.2 Ų | 91.2 | 98.1 Ų | 98.1 | 64% | 0.638 | 54% | 0.538 | S | S | * | . | trans | -91.3 | 18.4 | 172.3 | 69.3 | 0 | 0 | 0 | 0 | 114.1 | N1361 R1365 | N1361-S1363 PolarHBondContact O-N 3.2Å; S1363-R1365 PolarHBondContact O-N 3.14Å; S1363-R1365 VanDerWaalsContact O-N 3.14Å; S1363-R1365 WeakPolarHBondContact OG-CB 3.37Å | ||
| 1364 | T | 37.6 | Very low | 49.4 | Very low | 103.6 Ų | 103.6 | 91.5 Ų | 91.5 | 64% | 0.636 | 51% | 0.513 | S | S | * | . | trans | -92.9 | 18.1 | -172.8 | -18.6 | 0 | 0 | 0 | 0 | 114.4 | S1362 N1366 F1520 H1523 | S1362-T1364 WeakPolarHBondContact CA-OG1 3.49Å; S1362-T1364 WeakPolarHBondContact CB-OG1 3.3Å; S1362-T1364 PolarHBondContact O-N 3.38Å; S1362-T1364 VanDerWaalsContact O-N 3.12Å; T1364-N1366 PolarHBondContact O-N 3.17Å; T1364-F1520 HydrophobicContact CG2-CE2 3.86Å; T1364-H1523 HydrophobicContact CG2-CB 4.02Å; T1364-H1523 VanDerWaalsContact CG2-O 3.29Å; T1364-H1523 WeakPolarHBondContact CG2-O 3.28Å | ||
| 1365 | R | 35.6 | Very low | 50.7 | Low | 200 Ų | 200 | 87.1 Ų | 87.1 | 76% | 0.755 | 49% | 0.491 | S | S | * | . | trans | -95.8 | 31 | -177.4 | -163.4 | 174.6 | 169.6 | 176.7 | -2.7 | 113.8 | S1363 G1367 Y1368 F1369 | S1363-R1365 PolarHBondContact O-N 3.14Å; S1363-R1365 VanDerWaalsContact O-N 3.14Å; S1363-R1365 WeakPolarHBondContact OG-CB 3.37Å; R1365-G1367 VanDerWaalsContact C-N 3.34Å; R1365-G1367 PolarHBondContact O-N 2.98Å; R1365-Y1368 PolarHBondContact O-N 2.8Å; R1365-F1369 VanDerWaalsContact O-CB 3.28Å; R1365-F1369 WeakPolarHBondContact O-CB 3.17Å; R1365-F1369 PolarHBondContact O-N 3.09Å | ||
| 1366 | N | 39.2 | Very low | 52 | Low | 117.8 Ų | 117.8 | 85.1 Ų | 85.1 | 63% | 0.63 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.2 | -25 | -176.8 | -83.1 | -9.8 | 0 | 0 | 0 | 113.8 | T1364 Y1368 F1369 T1370 | T1364-N1366 PolarHBondContact O-N 3.17Å; N1366-Y1368 HydrophobicContact CB-CE2 4.42Å; N1366-Y1368 WeakPolarHBondContact O-CD2 3.39Å; N1366-Y1368 PolarHBondContact O-N 3.09Å; N1366-F1369 WeakPolarHBondContact O-CB 3.4Å; N1366-F1369 PolarHBondContact O-N 3.04Å; N1366-T1370 PolarHBondContact O-N 2.8Å |
| 1367 | G | 41.4 | Very low | 53.5 | Low | 39 Ų | 39 | 79.8 Ų | 79.8 | 40% | 0.402 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.4 | -32.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | R1365 F1369 T1370 | R1365-G1367 VanDerWaalsContact C-N 3.34Å; R1365-G1367 PolarHBondContact O-N 2.98Å; G1367-F1369 VanDerWaalsContact C-N 3.27Å; G1367-F1369 PolarHBondContact O-N 3.26Å; G1367-T1370 PolarHBondContact O-N 3.34Å; G1367-T1370 PolarHBondContact O-OG1 3.1Å |
| 1368 | Y | 45.6 | Very low | 55.6 | Low | 145.2 Ų | 145.2 | 80.9 Ų | 80.9 | 57% | 0.569 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65.5 | -16.2 | 175.5 | -74.9 | -82.1 | 0 | 0 | 0 | 111.9 | R1365 N1366 T1370 T1372 K1536 | R1365-Y1368 PolarHBondContact O-N 2.8Å; N1366-Y1368 HydrophobicContact CB-CE2 4.42Å; N1366-Y1368 WeakPolarHBondContact O-CD2 3.39Å; N1366-Y1368 PolarHBondContact O-N 3.09Å; Y1368-T1370 VanDerWaalsContact C-N 3.34Å; Y1368-T1370 PolarHBondContact O-N 3.06Å; Y1368-T1372 WeakPolarHBondContact O-CB 3.28Å; Y1368-T1372 VanDerWaalsContact O-CG2 3.23Å; Y1368-T1372 WeakPolarHBondContact O-CG2 3.48Å; Y1368-T1372 PolarHBondContact O-N 3.1Å; Y1368-T1372 PolarHBondContact O-OG1 3.2Å; Y1368-K1536 PolarHBondContact OH-NZ 3.3Å |
| 1369 | F | 47.1 | Very low | 57.4 | Low | 44.2 Ų | 44.2 | 79.3 Ų | 79.3 | 19% | 0.194 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.4 | -26.4 | -179.9 | -170.2 | -103.7 | 0 | 0 | 0 | 111.3 | I1338 H1342 A1345 H1349 R1365 N1366 G1367 E1371 T1372 V1373 L1374 | I1338-F1369 HydrophobicContact CG2-CE2 3.46Å; I1338-F1369 VanDerWaalsContact CG2-CE2 3.46Å; I1338-F1369 HydrophobicContact CG2-CZ 3.84Å; H1342-F1369 AromaticContact CD2-CE1 3.67Å; H1342-F1369 AromaticContact CE1-CE1 3.96Å; H1342-F1369 AromaticContact NE2-CD1 3.7Å; H1342-F1369 AromaticContact NE2-CE1 3.51Å; H1342-F1369 VanDerWaalsContact NE2-CE1 3.31Å; H1342-F1369 WeakPolarHBondContact NE2-CE1 3.28Å; A1345-F1369 HydrophobicContact CB-CE2 4.46Å; A1345-F1369 HydrophobicContact CB-CZ 4.17Å; H1349-F1369 AromaticContact CD2-CE2 3.55Å; H1349-F1369 WeakPolarHBondContact CD2-CE2 3.33Å; H1349-F1369 AromaticContact NE2-CE2 3.71Å; R1365-F1369 VanDerWaalsContact O-CB 3.28Å; R1365-F1369 WeakPolarHBondContact O-CB 3.17Å; R1365-F1369 PolarHBondContact O-N 3.09Å; N1366-F1369 WeakPolarHBondContact O-CB 3.4Å; N1366-F1369 PolarHBondContact O-N 3.04Å; G1367-F1369 VanDerWaalsContact C-N 3.27Å; G1367-F1369 PolarHBondContact O-N 3.26Å; F1369-E1371 PolarHBondContact O-N 3.29Å; F1369-T1372 VanDerWaalsContact CA-OG1 3.31Å; F1369-T1372 WeakPolarHBondContact CA-OG1 3.3Å; F1369-T1372 PolarHBondContact O-N 3.34Å; F1369-T1372 PolarHBondContact O-OG1 3.04Å; F1369-V1373 HydrophobicContact CD1-CG2 4.1Å; F1369-V1373 HydrophobicContact CD2-CB 4.37Å; F1369-V1373 HydrophobicContact CD2-CG1 4.42Å; F1369-V1373 HydrophobicContact CE1-CB 4.11Å; F1369-V1373 HydrophobicContact CE1-CG2 3.88Å; F1369-V1373 HydrophobicContact CE2-CB 3.54Å; F1369-V1373 HydrophobicContact CE2-CG1 3.39Å; F1369-V1373 HydrophobicContact CE2-CG2 4.37Å; F1369-V1373 HydrophobicContact CG-CG2 4.41Å; F1369-V1373 HydrophobicContact CZ-CB 3.39Å; F1369-V1373 HydrophobicContact CZ-CG1 3.56Å; F1369-V1373 HydrophobicContact CZ-CG2 4.18Å; F1369-V1373 WeakPolarHBondContact O-CB 3.42Å; F1369-V1373 WeakPolarHBondContact O-CG2 3.34Å; F1369-V1373 PolarHBondContact O-N 3.15Å; F1369-L1374 HydrophobicContact CE1-CD1 4.37Å; F1369-L1374 HydrophobicContact CE1-CG 3.91Å; F1369-L1374 HydrophobicContact CZ-CG 4.14Å |
| 1370 | T | 62.9 | Low | 59.8 | Low | 22.6 Ų | 22.6 | 74.4 Ų | 74.4 | 14% | 0.139 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -75.5 | -44.4 | -174.7 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | N1366 G1367 Y1368 T1372 V1373 L1374 P1447 S1450 I1451 H1454 | N1366-T1370 PolarHBondContact O-N 2.8Å; G1367-T1370 PolarHBondContact O-N 3.34Å; G1367-T1370 PolarHBondContact O-OG1 3.1Å; Y1368-T1370 VanDerWaalsContact C-N 3.34Å; Y1368-T1370 PolarHBondContact O-N 3.06Å; T1370-T1372 PolarHBondContact O-N 3.41Å; T1370-T1372 PolarHBondContact OG1-OG1 3.3Å; T1370-V1373 PolarHBondContact O-N 3.12Å; T1370-L1374 PolarHBondContact O-N 2.96Å; T1370-L1374 VanDerWaalsContact O-N 3.1Å; T1370-P1447 HydrophobicContact CG2-CB 4.38Å; T1370-S1450 VanDerWaalsContact CB-OG 3.24Å; T1370-S1450 WeakPolarHBondContact CB-OG 3.45Å; T1370-S1450 VanDerWaalsContact OG1-CB 3.31Å; T1370-S1450 WeakPolarHBondContact OG1-CB 3.32Å; T1370-S1450 PolarHBondContact OG1-OG 3.24Å; T1370-I1451 HydrophobicContact CG2-CG1 4.42Å; T1370-H1454 PolarHBondContact OG1-NE2 3.08Å |
| 1371 | E | 71.9 | Confident | 62.3 | Low | 42 Ų | 42 | 70.3 Ų | 70.3 | 20% | 0.196 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.6 | -37.1 | 175.5 | -159.2 | -165.8 | -178.7 | 0 | 0 | 111.4 | K1287 F1369 V1373 L1374 W1375 R1458 | K1287-E1371 IonicContact NZ-OE1 2.67Å; K1287-E1371 IonicContact NZ-OE2 2.73Å; K1287-E1371 PolarHBondContact NZ-OE2 2.76Å; F1369-E1371 PolarHBondContact O-N 3.29Å; E1371-V1373 VanDerWaalsContact C-N 3.3Å; E1371-V1373 PolarHBondContact O-N 3.13Å; E1371-L1374 VanDerWaalsContact O-CB 3.3Å; E1371-L1374 WeakPolarHBondContact O-CB 3.29Å; E1371-L1374 PolarHBondContact O-N 2.98Å; E1371-L1374 VanDerWaalsContact O-N 3.09Å; E1371-W1375 VanDerWaalsContact CD-NE1 3.32Å; E1371-W1375 PolarHBondContact O-N 3.01Å; E1371-W1375 VanDerWaalsContact O-N 3.12Å; E1371-W1375 PolarHBondContact OE1-NE1 3.14Å; E1371-R1458 IonicContact OE1-CZ 3.32Å; E1371-R1458 IonicContact OE1-NH1 2.64Å; E1371-R1458 IonicContact OE1-NH2 3.13Å; E1371-R1458 PolarHBondContact OE1-NH2 3.06Å |
| 1372 | T | 74.4 | Confident | 64.6 | Low | 69 Ų | 69 | 63.4 Ų | 63.4 | 42% | 0.423 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.7 | -33.3 | 176 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | Y1368 F1369 T1370 L1374 W1375 S1376 | Y1368-T1372 WeakPolarHBondContact O-CB 3.28Å; Y1368-T1372 VanDerWaalsContact O-CG2 3.23Å; Y1368-T1372 WeakPolarHBondContact O-CG2 3.48Å; Y1368-T1372 PolarHBondContact O-N 3.1Å; Y1368-T1372 PolarHBondContact O-OG1 3.2Å; F1369-T1372 VanDerWaalsContact CA-OG1 3.31Å; F1369-T1372 WeakPolarHBondContact CA-OG1 3.3Å; F1369-T1372 PolarHBondContact O-N 3.34Å; F1369-T1372 PolarHBondContact O-OG1 3.04Å; T1370-T1372 PolarHBondContact O-N 3.41Å; T1370-T1372 PolarHBondContact OG1-OG1 3.3Å; T1372-L1374 VanDerWaalsContact C-N 3.35Å; T1372-W1375 CarbonylContact O-C 3.55Å; T1372-W1375 PolarHBondContact O-N 3.24Å; T1372-S1376 WeakPolarHBondContact O-CB 3.32Å; T1372-S1376 PolarHBondContact O-N 3.14Å; T1372-S1376 VanDerWaalsContact O-N 3.11Å; T1372-S1376 PolarHBondContact O-OG 3.18Å |
| 1373 | V | 75.5 | Confident | 67.1 | Low | 21.8 Ų | 21.8 | 59.3 Ų | 59.3 | 13% | 0.132 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.3 | -40.1 | 175.8 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | I1338 A1345 F1369 T1370 E1371 W1375 S1376 D1377 I1451 | I1338-V1373 HydrophobicContact CD1-CG1 4.44Å; I1338-V1373 HydrophobicContact CG2-CG1 3.68Å; I1338-V1373 VanDerWaalsContact CG2-CG1 3.45Å; A1345-V1373 HydrophobicContact CB-CG2 4.46Å; F1369-V1373 HydrophobicContact CD1-CG2 4.1Å; F1369-V1373 HydrophobicContact CD2-CB 4.37Å; F1369-V1373 HydrophobicContact CD2-CG1 4.42Å; F1369-V1373 HydrophobicContact CE1-CB 4.11Å; F1369-V1373 HydrophobicContact CE1-CG2 3.88Å; F1369-V1373 HydrophobicContact CE2-CB 3.54Å; F1369-V1373 HydrophobicContact CE2-CG1 3.39Å; F1369-V1373 HydrophobicContact CE2-CG2 4.37Å; F1369-V1373 HydrophobicContact CG-CG2 4.41Å; F1369-V1373 HydrophobicContact CZ-CB 3.39Å; F1369-V1373 HydrophobicContact CZ-CG1 3.56Å; F1369-V1373 HydrophobicContact CZ-CG2 4.18Å; F1369-V1373 WeakPolarHBondContact O-CB 3.42Å; F1369-V1373 WeakPolarHBondContact O-CG2 3.34Å; F1369-V1373 PolarHBondContact O-N 3.15Å; T1370-V1373 PolarHBondContact O-N 3.12Å; E1371-V1373 VanDerWaalsContact C-N 3.3Å; E1371-V1373 PolarHBondContact O-N 3.13Å; V1373-W1375 VanDerWaalsContact C-N 3.31Å; V1373-W1375 PolarHBondContact O-N 3.21Å; V1373-S1376 WeakPolarHBondContact O-CB 3.32Å; V1373-S1376 PolarHBondContact O-N 3.17Å; V1373-S1376 VanDerWaalsContact O-N 3.14Å; V1373-D1377 PolarHBondContact O-N 3.08Å; V1373-I1451 HydrophobicContact CG1-CD1 4.24Å |
| 1374 | L | 78.3 | Confident | 69.6 | Low | 0.4 Ų | 0.4 | 55 Ų | 55 | 0% | 0.002 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.8 | -40 | 173.7 | -92.7 | 149.5 | 0 | 0 | 0 | 112.5 | I1338 F1369 T1370 E1371 T1372 S1376 D1377 W1380 S1381 L1384 I1451 H1454 I1455 | I1338-L1374 HydrophobicContact CD1-CD2 3.91Å; F1369-L1374 HydrophobicContact CE1-CD1 4.37Å; F1369-L1374 HydrophobicContact CE1-CG 3.91Å; F1369-L1374 HydrophobicContact CZ-CG 4.14Å; T1370-L1374 PolarHBondContact O-N 2.96Å; T1370-L1374 VanDerWaalsContact O-N 3.1Å; E1371-L1374 VanDerWaalsContact O-CB 3.3Å; E1371-L1374 WeakPolarHBondContact O-CB 3.29Å; E1371-L1374 PolarHBondContact O-N 2.98Å; E1371-L1374 VanDerWaalsContact O-N 3.09Å; T1372-L1374 VanDerWaalsContact C-N 3.35Å; L1374-S1376 VanDerWaalsContact C-N 3.27Å; L1374-S1376 PolarHBondContact O-N 3.29Å; L1374-D1377 PolarHBondContact O-N 3.16Å; L1374-W1380 HydrophobicContact CB-CB 4.32Å; L1374-W1380 HydrophobicContact CD1-CB 3.36Å; L1374-W1380 HydrophobicContact CD1-CD2 3.71Å; L1374-W1380 HydrophobicContact CD1-CE3 4Å; L1374-W1380 HydrophobicContact CD1-CG 3.49Å; L1374-W1380 VanDerWaalsContact CD1-CG 3.49Å; L1374-W1380 HydrophobicContact CD2-CB 3.73Å; L1374-W1380 HydrophobicContact CD2-CD2 3.57Å; L1374-W1380 VanDerWaalsContact CD2-CD2 3.47Å; L1374-W1380 HydrophobicContact CD2-CE3 3.54Å; L1374-W1380 HydrophobicContact CD2-CG 3.71Å; L1374-W1380 HydrophobicContact CD2-CZ3 4.24Å; L1374-W1380 HydrophobicContact CG-CB 4Å; L1374-W1380 VanDerWaalsContact O-CB 3.29Å; L1374-W1380 WeakPolarHBondContact O-CB 3.31Å; L1374-S1381 PolarHBondContact O-N 3.21Å; L1374-L1384 HydrophobicContact CB-CD1 3.87Å; L1374-L1384 HydrophobicContact CD1-CD1 4.38Å; L1374-L1384 HydrophobicContact CD2-CD1 4.04Å; L1374-L1384 HydrophobicContact CD2-CD2 4.07Å; L1374-L1384 HydrophobicContact CD2-CG 4.22Å; L1374-L1384 HydrophobicContact CG-CD1 4.09Å; L1374-L1384 HydrophobicContact CG-CG 4.35Å; L1374-I1451 HydrophobicContact CB-CG1 4.35Å; L1374-I1451 HydrophobicContact CD1-CB 4.16Å; L1374-I1451 HydrophobicContact CD1-CD1 4.2Å; L1374-I1451 HydrophobicContact CD1-CG1 4.09Å; L1374-I1451 HydrophobicContact CD1-CG2 3.99Å; L1374-I1451 HydrophobicContact CD2-CG2 3.74Å; L1374-I1451 HydrophobicContact CG-CB 4.24Å; L1374-I1451 HydrophobicContact CG-CG1 4.08Å; L1374-I1451 HydrophobicContact CG-CG2 3.95Å; L1374-H1454 HydrophobicContact CD1-CB 3.89Å; L1374-H1454 HydrophobicContact CD2-CB 4.31Å; L1374-I1455 HydrophobicContact CD1-CD1 4.45Å; L1374-I1455 HydrophobicContact CD2-CD1 4.14Å; L1374-I1455 HydrophobicContact CD2-CG1 4.36Å |
| 1375 | W | 82 | Confident | 72.1 | Confident | 32.2 Ų | 32.2 | 51.4 Ų | 51.4 | 12% | 0.122 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -9.1 | 175.6 | -72 | 106.1 | 0 | 0 | 0 | 114 | K1287 I1290 M1291 E1371 T1372 V1373 D1377 L1384 I1385 | K1287-W1375 HydrophobicContact CB-CD2 4.37Å; K1287-W1375 HydrophobicContact CB-CE3 3.87Å; K1287-W1375 HydrophobicContact CB-CH2 4.16Å; K1287-W1375 HydrophobicContact CB-CZ2 4.44Å; K1287-W1375 HydrophobicContact CB-CZ3 3.73Å; K1287-W1375 HydrophobicContact CD-CB 4.2Å; K1287-W1375 HydrophobicContact CD-CD2 3.46Å; K1287-W1375 VanDerWaalsContact CD-CD2 3.45Å; K1287-W1375 HydrophobicContact CD-CE3 3.77Å; K1287-W1375 HydrophobicContact CD-CG 3.66Å; K1287-W1375 HydrophobicContact CD-CZ2 4.32Å; K1287-W1375 HydrophobicContact CD-CZ3 4.29Å; K1287-W1375 VanDerWaalsContact CE-CD1 3.47Å; K1287-W1375 VanDerWaalsContact CE-NE1 3.28Å; K1287-W1375 HydrophobicContact CG-CD2 3.8Å; K1287-W1375 HydrophobicContact CG-CE3 3.77Å; K1287-W1375 HydrophobicContact CG-CG 4.41Å; K1287-W1375 HydrophobicContact CG-CH2 3.89Å; K1287-W1375 HydrophobicContact CG-CZ2 3.91Å; K1287-W1375 HydrophobicContact CG-CZ3 3.81Å; K1287-W1375 VanDerWaalsContact NZ-CB 3.31Å; K1287-W1375 VanDerWaalsContact NZ-CG 3.33Å; K1287-W1375 VanDerWaalsContact NZ-NE1 3.15Å; I1290-W1375 HydrophobicContact CG2-CH2 4.38Å; M1291-W1375 HydrophobicContact CG-CZ2 4.31Å; M1291-W1375 HydrophobicContact SD-CZ2 4.23Å; E1371-W1375 VanDerWaalsContact CD-NE1 3.32Å; E1371-W1375 PolarHBondContact O-N 3.01Å; E1371-W1375 VanDerWaalsContact O-N 3.12Å; E1371-W1375 PolarHBondContact OE1-NE1 3.14Å; T1372-W1375 CarbonylContact O-C 3.55Å; T1372-W1375 PolarHBondContact O-N 3.24Å; V1373-W1375 VanDerWaalsContact C-N 3.31Å; V1373-W1375 PolarHBondContact O-N 3.21Å; W1375-D1377 VanDerWaalsContact C-N 3.33Å; W1375-L1384 HydrophobicContact CD2-CD1 3.93Å; W1375-L1384 VanDerWaalsContact CE2-CD1 3.49Å; W1375-L1384 HydrophobicContact CE3-CD1 4.44Å; W1375-L1384 HydrophobicContact CG-CD1 4.29Å; W1375-L1384 HydrophobicContact CH2-CB 3.84Å; W1375-L1384 HydrophobicContact CH2-CD1 4.44Å; W1375-L1384 HydrophobicContact CZ2-CB 3.93Å; W1375-L1384 HydrophobicContact CZ2-CD1 3.95Å; W1375-L1384 HydrophobicContact CZ3-CB 4.27Å; W1375-I1385 HydrophobicContact CH2-CG1 4.06Å; W1375-I1385 HydrophobicContact CZ3-CD1 4.24Å; W1375-I1385 HydrophobicContact CZ3-CG1 3.75Å |
| 1376 | S | 80.2 | Confident | 74.8 | Confident | 97.4 Ų | 97.4 | 41.9 Ų | 41.9 | 68% | 0.681 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -17.9 | 176.5 | -57.4 | 0 | 0 | 0 | 0 | 112.8 | T1372 V1373 L1374 | T1372-S1376 WeakPolarHBondContact O-CB 3.32Å; T1372-S1376 PolarHBondContact O-N 3.14Å; T1372-S1376 VanDerWaalsContact O-N 3.11Å; T1372-S1376 PolarHBondContact O-OG 3.18Å; V1373-S1376 WeakPolarHBondContact O-CB 3.32Å; V1373-S1376 PolarHBondContact O-N 3.17Å; V1373-S1376 VanDerWaalsContact O-N 3.14Å; L1374-S1376 VanDerWaalsContact C-N 3.27Å; L1374-S1376 PolarHBondContact O-N 3.29Å |
| 1377 | D | 82.2 | Confident | 77.3 | Confident | 18 Ų | 18 | 36.2 Ų | 36.2 | 10% | 0.096 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -97.1 | 127.4 | 178.8 | -173.6 | -53.8 | 0 | 0 | 0 | 109.5 | I1338 V1373 L1374 W1375 E1379 W1380 S1381 | I1338-D1377 HydrophobicContact CD1-CB 4.03Å; I1338-D1377 HydrophobicContact CG1-CB 4.21Å; V1373-D1377 PolarHBondContact O-N 3.08Å; L1374-D1377 PolarHBondContact O-N 3.16Å; W1375-D1377 VanDerWaalsContact C-N 3.33Å; D1377-E1379 VanDerWaalsContact C-N 3.31Å; D1377-E1379 PolarHBondContact O-N 3.16Å; D1377-E1379 WeakPolarHBondContact OD1-CB 3.35Å; D1377-E1379 PolarHBondContact OD1-N 3.03Å; D1377-E1379 VanDerWaalsContact OD1-N 3.16Å; D1377-W1380 HydrophobicContact CB-CB 4.29Å; D1377-W1380 HydrophobicContact CB-CG 4.49Å; D1377-W1380 PolarHBondContact O-N 3.3Å; D1377-W1380 PolarHBondContact OD1-N 3.22Å; D1377-S1381 VanDerWaalsContact O-CB 3.27Å; D1377-S1381 WeakPolarHBondContact O-CB 3.26Å; D1377-S1381 PolarHBondContact O-N 3.31Å; D1377-S1381 PolarHBondContact O-OG 3.19Å |
| 1378 | P | 83.7 | Confident | 79.8 | Confident | 101.4 Ų | 101.4 | 34.5 Ų | 34.5 | 66% | 0.658 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -62.8 | -35.7 | -175.8 | 25.5 | -34.2 | 0 | 0 | 0 | 112.9 | W1380 S1381 S1382 | P1378-W1380 PolarHBondContact O-N 3.27Å; P1378-S1381 VanDerWaalsContact CA-OG 3.31Å; P1378-S1381 WeakPolarHBondContact CA-OG 3.41Å; P1378-S1381 PolarHBondContact O-N 3.23Å; P1378-S1381 PolarHBondContact O-OG 3.11Å; P1378-S1382 WeakPolarHBondContact O-CB 3.29Å; P1378-S1382 PolarHBondContact O-N 3.17Å; P1378-S1382 VanDerWaalsContact O-N 3.12Å |
| 1379 | E | 84.5 | Confident | 82.1 | Confident | 58.6 Ų | 58.6 | 27.6 Ų | 27.6 | 27% | 0.274 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -68.7 | -47.9 | -178.1 | -62.7 | -179.8 | 173.3 | 0 | 0 | 110.7 | V1331 P1333 N1334 N1337 D1377 S1381 S1382 S1383 | V1331-E1379 HydrophobicContact CG1-CB 3.61Å; V1331-E1379 VanDerWaalsContact CG1-CB 3.5Å; V1331-E1379 HydrophobicContact CG1-CG 4.07Å; V1331-E1379 WeakPolarHBondContact CG1-O 3.46Å; P1333-E1379 WeakPolarHBondContact CA-OE2 3.36Å; P1333-E1379 HydrophobicContact CB-CB 4.05Å; N1334-E1379 PolarHBondContact N-OE2 3Å; N1337-E1379 PolarHBondContact ND2-OE1 3.25Å; N1337-E1379 PolarHBondContact ND2-OE2 2.86Å; D1377-E1379 VanDerWaalsContact C-N 3.31Å; D1377-E1379 PolarHBondContact O-N 3.16Å; D1377-E1379 WeakPolarHBondContact OD1-CB 3.35Å; D1377-E1379 PolarHBondContact OD1-N 3.03Å; D1377-E1379 VanDerWaalsContact OD1-N 3.16Å; E1379-S1381 PolarHBondContact O-N 3.01Å; E1379-S1382 WeakPolarHBondContact O-CB 3.37Å; E1379-S1382 PolarHBondContact O-N 3Å; E1379-S1383 WeakPolarHBondContact O-CB 3.2Å; E1379-S1383 PolarHBondContact O-N 3.26Å; E1379-S1383 VanDerWaalsContact O-N 3.11Å; E1379-S1383 PolarHBondContact O-OG 3.08Å |
| 1380 | W | 85 | Confident | 84.3 | Confident | 3.2 Ų | 3.2 | 25.5 Ų | 25.5 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -71.7 | -34.8 | 179.9 | -70.7 | 93.9 | 0 | 0 | 0 | 112.6 | P1333 N1334 I1335 I1338 L1374 D1377 P1378 S1382 S1383 L1384 I1451 L1452 I1455 | P1333-W1380 HydrophobicContact CB-CD2 3.67Å; P1333-W1380 HydrophobicContact CB-CE3 4Å; P1333-W1380 HydrophobicContact CB-CG 4.06Å; P1333-W1380 HydrophobicContact CB-CH2 4.05Å; P1333-W1380 HydrophobicContact CB-CZ2 3.92Å; P1333-W1380 HydrophobicContact CB-CZ3 4.03Å; P1333-W1380 HydrophobicContact CG-CD2 4.24Å; P1333-W1380 HydrophobicContact CG-CE3 4.05Å; P1333-W1380 HydrophobicContact CG-CH2 4.12Å; P1333-W1380 HydrophobicContact CG-CZ2 4.32Å; P1333-W1380 HydrophobicContact CG-CZ3 4.02Å; N1334-W1380 PolarHBondContact O-NE1 3.07Å; I1335-W1380 HydrophobicContact CB-CZ2 4.25Å; I1335-W1380 HydrophobicContact CD1-CZ2 4.36Å; I1335-W1380 HydrophobicContact CG1-CZ2 4.36Å; I1338-W1380 HydrophobicContact CD1-CB 4.29Å; I1338-W1380 HydrophobicContact CD1-CD2 4.15Å; I1338-W1380 HydrophobicContact CD1-CG 3.79Å; I1338-W1380 VanDerWaalsContact CD1-CG 3.47Å; I1338-W1380 HydrophobicContact CD1-CZ2 3.61Å; I1338-W1380 VanDerWaalsContact CD1-NE1 3.29Å; I1338-W1380 HydrophobicContact CG1-CZ2 4.41Å; L1374-W1380 HydrophobicContact CB-CB 4.32Å; L1374-W1380 HydrophobicContact CD1-CB 3.36Å; L1374-W1380 HydrophobicContact CD1-CD2 3.71Å; L1374-W1380 HydrophobicContact CD1-CE3 4Å; L1374-W1380 HydrophobicContact CD1-CG 3.49Å; L1374-W1380 VanDerWaalsContact CD1-CG 3.49Å; L1374-W1380 HydrophobicContact CD2-CB 3.73Å; L1374-W1380 HydrophobicContact CD2-CD2 3.57Å; L1374-W1380 VanDerWaalsContact CD2-CD2 3.47Å; L1374-W1380 HydrophobicContact CD2-CE3 3.54Å; L1374-W1380 HydrophobicContact CD2-CG 3.71Å; L1374-W1380 HydrophobicContact CD2-CZ3 4.24Å; L1374-W1380 HydrophobicContact CG-CB 4Å; L1374-W1380 VanDerWaalsContact O-CB 3.29Å; L1374-W1380 WeakPolarHBondContact O-CB 3.31Å; D1377-W1380 HydrophobicContact CB-CB 4.29Å; D1377-W1380 HydrophobicContact CB-CG 4.49Å; D1377-W1380 PolarHBondContact O-N 3.3Å; D1377-W1380 PolarHBondContact OD1-N 3.22Å; P1378-W1380 PolarHBondContact O-N 3.27Å; W1380-S1382 VanDerWaalsContact C-N 3.32Å; W1380-S1382 PolarHBondContact O-N 2.72Å; W1380-S1383 WeakPolarHBondContact O-CB 3.24Å; W1380-S1383 PolarHBondContact O-N 3.12Å; W1380-L1384 WeakPolarHBondContact O-CB 3.36Å; W1380-L1384 VanDerWaalsContact O-CG 3.29Å; W1380-L1384 WeakPolarHBondContact O-CG 3.37Å; W1380-L1384 PolarHBondContact O-N 3.09Å; W1380-I1451 HydrophobicContact CZ3-CG2 4.49Å; W1380-L1452 HydrophobicContact CH2-CD1 4.08Å; W1380-I1455 HydrophobicContact CD2-CD1 4.45Å; W1380-I1455 HydrophobicContact CE3-CD1 3.71Å; W1380-I1455 VanDerWaalsContact CE3-CD1 3.47Å; W1380-I1455 HydrophobicContact CE3-CG1 4.18Å; W1380-I1455 HydrophobicContact CH2-CD1 3.7Å; W1380-I1455 HydrophobicContact CZ3-CB 4.3Å; W1380-I1455 HydrophobicContact CZ3-CD1 3.51Å; W1380-I1455 HydrophobicContact CZ3-CG1 4.19Å; W1380-I1455 HydrophobicContact CZ3-CG2 4.07Å |
| 1381 | S | 86.8 | Confident | 85.8 | Confident | 26.2 Ų | 26.2 | 26.2 Ų | 26.2 | 18% | 0.183 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 174 | 82.7 | 0 | 0 | 0 | 0 | 112 | L1374 D1377 P1378 E1379 S1383 L1384 I1385 | L1374-S1381 PolarHBondContact O-N 3.21Å; D1377-S1381 VanDerWaalsContact O-CB 3.27Å; D1377-S1381 WeakPolarHBondContact O-CB 3.26Å; D1377-S1381 PolarHBondContact O-N 3.31Å; D1377-S1381 PolarHBondContact O-OG 3.19Å; P1378-S1381 VanDerWaalsContact CA-OG 3.31Å; P1378-S1381 WeakPolarHBondContact CA-OG 3.41Å; P1378-S1381 PolarHBondContact O-N 3.23Å; P1378-S1381 PolarHBondContact O-OG 3.11Å; E1379-S1381 PolarHBondContact O-N 3.01Å; S1381-S1383 VanDerWaalsContact C-N 3.33Å; S1381-S1383 PolarHBondContact O-N 3.31Å; S1381-L1384 PolarHBondContact O-N 3.06Å; S1381-I1385 WeakPolarHBondContact O-CD1 3.4Å; S1381-I1385 VanDerWaalsContact O-CG1 3.26Å; S1381-I1385 WeakPolarHBondContact O-CG1 3.39Å; S1381-I1385 PolarHBondContact O-N 2.98Å |
| 1382 | S | 87.9 | Confident | 86.8 | Confident | 11.6 Ų | 11.6 | 24.2 Ų | 24.2 | 8% | 0.081 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.5 | -46.7 | 174.1 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | E1327 A1328 P1378 E1379 W1380 L1384 I1385 G1386 | E1327-S1382 VanDerWaalsContact CD-OG 3.27Å; E1327-S1382 WeakPolarHBondContact CG-OG 3.32Å; E1327-S1382 VanDerWaalsContact OE1-CB 3.31Å; E1327-S1382 WeakPolarHBondContact OE1-CB 3.4Å; E1327-S1382 PolarHBondContact OE1-OG 3.08Å; A1328-S1382 VanDerWaalsContact CB-O 3.29Å; A1328-S1382 WeakPolarHBondContact CB-O 3.37Å; P1378-S1382 WeakPolarHBondContact O-CB 3.29Å; P1378-S1382 PolarHBondContact O-N 3.17Å; P1378-S1382 VanDerWaalsContact O-N 3.12Å; E1379-S1382 WeakPolarHBondContact O-CB 3.37Å; E1379-S1382 PolarHBondContact O-N 3Å; W1380-S1382 VanDerWaalsContact C-N 3.32Å; W1380-S1382 PolarHBondContact O-N 2.72Å; S1382-L1384 VanDerWaalsContact C-N 3.32Å; S1382-L1384 PolarHBondContact O-N 3.03Å; S1382-I1385 PolarHBondContact O-N 3.29Å; S1382-I1385 VanDerWaalsContact O-N 3.17Å; S1382-G1386 PolarHBondContact O-N 3.2Å |
| 1383 | S | 89.1 | Confident | 87.7 | Confident | 0.2 Ų | 0.2 | 21 Ų | 21 | 0% | 0.001 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.6 | -44.3 | 175.1 | -103.5 | 0 | 0 | 0 | 0 | 112.8 | P1333 E1379 W1380 S1381 G1386 L1387 Q1422 I1455 | P1333-S1383 WeakPolarHBondContact CG-OG 3.37Å; E1379-S1383 WeakPolarHBondContact O-CB 3.2Å; E1379-S1383 PolarHBondContact O-N 3.26Å; E1379-S1383 VanDerWaalsContact O-N 3.11Å; E1379-S1383 PolarHBondContact O-OG 3.08Å; W1380-S1383 WeakPolarHBondContact O-CB 3.24Å; W1380-S1383 PolarHBondContact O-N 3.12Å; S1381-S1383 VanDerWaalsContact C-N 3.33Å; S1381-S1383 PolarHBondContact O-N 3.31Å; S1383-G1386 PolarHBondContact O-N 3.14Å; S1383-L1387 VanDerWaalsContact O-CG 3.3Å; S1383-L1387 WeakPolarHBondContact O-CG 3.34Å; S1383-L1387 PolarHBondContact O-N 3.03Å; S1383-Q1422 PolarHBondContact OG-NE2 3.1Å; S1383-Q1422 VanDerWaalsContact OG-NE2 3.14Å; S1383-Q1422 PolarHBondContact OG-OE1 3.31Å; S1383-I1455 WeakPolarHBondContact OG-CD1 3.48Å |
| 1384 | L | 90 | Very high | 88.5 | Confident | 0.4 Ų | 0.4 | 19.9 Ų | 19.9 | 0% | 0.002 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65 | -42.5 | 176.9 | -73.5 | 176.9 | 0 | 0 | 0 | 112.6 | L1374 W1375 W1380 S1381 S1382 L1387 D1388 I1455 | L1374-L1384 HydrophobicContact CB-CD1 3.87Å; L1374-L1384 HydrophobicContact CD1-CD1 4.38Å; L1374-L1384 HydrophobicContact CD2-CD1 4.04Å; L1374-L1384 HydrophobicContact CD2-CD2 4.07Å; L1374-L1384 HydrophobicContact CD2-CG 4.22Å; L1374-L1384 HydrophobicContact CG-CD1 4.09Å; L1374-L1384 HydrophobicContact CG-CG 4.35Å; W1375-L1384 HydrophobicContact CD2-CD1 3.93Å; W1375-L1384 VanDerWaalsContact CE2-CD1 3.49Å; W1375-L1384 HydrophobicContact CE3-CD1 4.44Å; W1375-L1384 HydrophobicContact CG-CD1 4.29Å; W1375-L1384 HydrophobicContact CH2-CB 3.84Å; W1375-L1384 HydrophobicContact CH2-CD1 4.44Å; W1375-L1384 HydrophobicContact CZ2-CB 3.93Å; W1375-L1384 HydrophobicContact CZ2-CD1 3.95Å; W1375-L1384 HydrophobicContact CZ3-CB 4.27Å; W1380-L1384 WeakPolarHBondContact O-CB 3.36Å; W1380-L1384 VanDerWaalsContact O-CG 3.29Å; W1380-L1384 WeakPolarHBondContact O-CG 3.37Å; W1380-L1384 PolarHBondContact O-N 3.09Å; S1381-L1384 PolarHBondContact O-N 3.06Å; S1382-L1384 VanDerWaalsContact C-N 3.32Å; S1382-L1384 PolarHBondContact O-N 3.03Å; L1384-L1387 PolarHBondContact O-N 3.33Å; L1384-D1388 WeakPolarHBondContact O-CB 3.35Å; L1384-D1388 PolarHBondContact O-N 3.11Å; L1384-I1455 HydrophobicContact CD2-CD1 4.28Å; L1384-I1455 HydrophobicContact CD2-CG1 4.24Å |
| 1385 | I | 90.8 | Very high | 89.1 | Confident | 27.8 Ų | 27.8 | 20.1 Ų | 20.1 | 14% | 0.143 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.4 | -47.6 | 176 | -68.1 | 162.7 | 0 | 0 | 0 | 109.9 | L1285 I1290 N1324 W1375 S1381 S1382 L1387 D1388 C1389 | L1285-I1385 HydrophobicContact CB-CG2 4.44Å; I1290-I1385 HydrophobicContact CG2-CG1 4.32Å; N1324-I1385 HydrophobicContact CB-CG2 4.42Å; W1375-I1385 HydrophobicContact CH2-CG1 4.06Å; W1375-I1385 HydrophobicContact CZ3-CD1 4.24Å; W1375-I1385 HydrophobicContact CZ3-CG1 3.75Å; S1381-I1385 WeakPolarHBondContact O-CD1 3.4Å; S1381-I1385 VanDerWaalsContact O-CG1 3.26Å; S1381-I1385 WeakPolarHBondContact O-CG1 3.39Å; S1381-I1385 PolarHBondContact O-N 2.98Å; S1382-I1385 PolarHBondContact O-N 3.29Å; S1382-I1385 VanDerWaalsContact O-N 3.17Å; I1385-L1387 PolarHBondContact O-N 3.09Å; I1385-D1388 PolarHBondContact O-N 3.27Å; I1385-C1389 VanDerWaalsContact O-CB 3.29Å; I1385-C1389 WeakPolarHBondContact O-CB 3.37Å; I1385-C1389 PolarHBondContact O-N 3.02Å; I1385-C1389 PolarHBondContact O-SG 3.03Å |
| 1386 | G | 91.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.2 | -43.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | M1325 S1382 S1383 C1389 A1390 | M1325-G1386 WeakPolarHBondContact CG-O 3.44Å; S1382-G1386 PolarHBondContact O-N 3.2Å; S1383-G1386 PolarHBondContact O-N 3.14Å; G1386-C1389 WeakPolarHBondContact O-CB 3.32Å; G1386-C1389 PolarHBondContact O-N 3.39Å; G1386-A1390 WeakPolarHBondContact O-CB 3.47Å; G1386-A1390 PolarHBondContact O-N 3.12Å |
| 1387 | L | 93.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67.4 | -41 | 177.2 | -69.7 | 173.7 | 0 | 0 | 0 | 112.5 | S1383 L1384 I1385 C1389 A1390 R1391 V1418 V1419 Q1422 I1455 R1458 I1459 I1462 | S1383-L1387 VanDerWaalsContact O-CG 3.3Å; S1383-L1387 WeakPolarHBondContact O-CG 3.34Å; S1383-L1387 PolarHBondContact O-N 3.03Å; L1384-L1387 PolarHBondContact O-N 3.33Å; I1385-L1387 PolarHBondContact O-N 3.09Å; L1387-C1389 VanDerWaalsContact C-N 3.31Å; L1387-C1389 PolarHBondContact O-N 3.14Å; L1387-A1390 WeakPolarHBondContact O-CB 3.36Å; L1387-A1390 PolarHBondContact O-N 3.09Å; L1387-R1391 WeakPolarHBondContact O-CB 3.38Å; L1387-R1391 WeakPolarHBondContact O-CG 3.36Å; L1387-R1391 PolarHBondContact O-N 3.15Å; L1387-V1418 HydrophobicContact CD2-CG1 4.21Å; L1387-V1418 HydrophobicContact CG-CG1 4.48Å; L1387-V1419 HydrophobicContact CD2-CG2 4.33Å; L1387-Q1422 HydrophobicContact CD1-CB 4.26Å; L1387-Q1422 HydrophobicContact CD1-CG 4.3Å; L1387-Q1422 HydrophobicContact CD2-CB 4.32Å; L1387-Q1422 HydrophobicContact CD2-CG 4.2Å; L1387-Q1422 HydrophobicContact CG-CG 4.42Å; L1387-I1455 HydrophobicContact CD1-CD1 3.25Å; L1387-I1455 HydrophobicContact CD1-CG1 3.97Å; L1387-I1455 HydrophobicContact CD1-CG2 3.97Å; L1387-I1455 HydrophobicContact CG-CD1 4.46Å; L1387-R1458 HydrophobicContact CB-CB 4.33Å; L1387-R1458 HydrophobicContact CD1-CB 4.17Å; L1387-I1459 HydrophobicContact CD1-CD1 4.49Å; L1387-I1459 HydrophobicContact CD1-CG1 4.17Å; L1387-I1459 HydrophobicContact CD2-CG1 4.02Å; L1387-I1462 HydrophobicContact CB-CD1 4.04Å; L1387-I1462 HydrophobicContact CD2-CD1 3.62Å; L1387-I1462 HydrophobicContact CG-CD1 4.39Å; L1387-I1462 WeakPolarHBondContact O-CD1 3.28Å |
| 1388 | D | 92.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.011 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -72.4 | -27.2 | 176.3 | -76.5 | -15.2 | 0 | 0 | 0 | 112.3 | I1290 C1294 L1384 I1385 R1391 T1392 R1458 | I1290-D1388 HydrophobicContact CD1-CB 4.47Å; I1290-D1388 HydrophobicContact CG1-CB 3.68Å; C1294-D1388 HydrophobicContact CB-CB 4.39Å; L1384-D1388 WeakPolarHBondContact O-CB 3.35Å; L1384-D1388 PolarHBondContact O-N 3.11Å; I1385-D1388 PolarHBondContact O-N 3.27Å; D1388-R1391 PolarHBondContact O-N 3.06Å; D1388-R1391 WeakPolarHBondContact OD1-CD 3.28Å; D1388-R1391 IonicContact OD1-CZ 3.8Å; D1388-R1391 IonicContact OD1-NH1 2.84Å; D1388-R1391 PolarHBondContact OD1-NH1 2.97Å; D1388-T1392 VanDerWaalsContact O-CB 3.26Å; D1388-T1392 WeakPolarHBondContact O-CB 3.35Å; D1388-T1392 PolarHBondContact O-N 3.17Å; D1388-T1392 PolarHBondContact O-OG1 3.18Å; D1388-R1458 VanDerWaalsContact OD1-CD 3.31Å; D1388-R1458 WeakPolarHBondContact OD1-CD 3.42Å; D1388-R1458 IonicContact OD1-CZ 2.76Å; D1388-R1458 IonicContact OD1-NE 3.64Å; D1388-R1458 PolarHBondContact OD1-NE 3.07Å; D1388-R1458 VanDerWaalsContact OD1-NE 3.16Å; D1388-R1458 IonicContact OD1-NH1 2.99Å; D1388-R1458 PolarHBondContact OD1-NH1 3.31Å; D1388-R1458 IonicContact OD2-CZ 3.48Å; D1388-R1458 IonicContact OD2-NE 3.07Å; D1388-R1458 PolarHBondContact OD2-NE 3.38Å; D1388-R1458 VanDerWaalsContact OD2-NE 3.07Å; D1388-R1458 IonicContact OD2-NH1 2.85Å; D1388-R1458 PolarHBondContact OD2-NH1 2.88Å; D1388-R1458 IonicContact OD2-NH2 3.18Å; D1388-R1458 PolarHBondContact OD2-NH2 3.34Å |
| 1389 | C | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -63.3 | -47 | 166.4 | -72.2 | 0 | 0 | 0 | 0 | 111.3 | I1290 L1321 M1325 I1385 G1386 L1387 R1391 T1392 A1393 | I1290-C1389 HydrophobicContact CD1-CB 4.47Å; I1290-C1389 VanDerWaalsContact CD1-SG 3.6Å; L1321-C1389 HydrophobicContact CB-CB 4.27Å; L1321-C1389 HydrophobicContact CD2-CB 3.98Å; M1325-C1389 HydrophobicContact CE-CB 4.28Å; M1325-C1389 WeakPolarHBondContact CE-O 3.22Å; M1325-C1389 HydrophobicContact CG-CB 3.82Å; I1385-C1389 VanDerWaalsContact O-CB 3.29Å; I1385-C1389 WeakPolarHBondContact O-CB 3.37Å; I1385-C1389 PolarHBondContact O-N 3.02Å; I1385-C1389 PolarHBondContact O-SG 3.03Å; G1386-C1389 WeakPolarHBondContact O-CB 3.32Å; G1386-C1389 PolarHBondContact O-N 3.39Å; L1387-C1389 VanDerWaalsContact C-N 3.31Å; L1387-C1389 PolarHBondContact O-N 3.14Å; C1389-R1391 VanDerWaalsContact C-N 3.33Å; C1389-R1391 PolarHBondContact O-N 3.2Å; C1389-T1392 PolarHBondContact O-N 3.21Å; C1389-A1393 WeakPolarHBondContact O-CB 3.25Å; C1389-A1393 PolarHBondContact O-N 3.13Å |
| 1390 | A | 94.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60.3 | -43.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | M1325 G1386 L1387 A1393 L1394 I1415 V1418 I1462 | M1325-A1390 HydrophobicContact CE-CB 4.44Å; M1325-A1390 HydrophobicContact CG-CB 4.38Å; M1325-A1390 VanDerWaalsContact SD-CA 3.57Å; M1325-A1390 HydrophobicContact SD-CB 3.73Å; G1386-A1390 WeakPolarHBondContact O-CB 3.47Å; G1386-A1390 PolarHBondContact O-N 3.12Å; L1387-A1390 WeakPolarHBondContact O-CB 3.36Å; L1387-A1390 PolarHBondContact O-N 3.09Å; A1390-A1393 PolarHBondContact O-N 3.12Å; A1390-L1394 WeakPolarHBondContact O-CB 3.44Å; A1390-L1394 WeakPolarHBondContact O-CG 3.28Å; A1390-L1394 PolarHBondContact O-N 3.12Å; A1390-I1415 HydrophobicContact CB-CG1 4.08Å; A1390-I1415 HydrophobicContact CB-CG2 4.2Å; A1390-V1418 HydrophobicContact CB-CG1 4.24Å; A1390-I1462 HydrophobicContact CB-CD1 4.1Å; A1390-I1462 HydrophobicContact CB-CG1 4.44Å |
| 1391 | R | 92.9 | Very high | 89.1 | Confident | 39 Ų | 39 | 15.7 Ų | 15.7 | 15% | 0.147 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.9 | -43.2 | 175.4 | -132 | 173 | 142 | -149.3 | 6.5 | 112.1 | C1294 L1387 D1388 C1389 A1393 L1394 N1395 Q1461 I1462 L1465 | C1294-R1391 VanDerWaalsContact SG-CZ 3.52Å; C1294-R1391 PolarHBondContact SG-NH1 3.41Å; L1387-R1391 WeakPolarHBondContact O-CB 3.38Å; L1387-R1391 WeakPolarHBondContact O-CG 3.36Å; L1387-R1391 PolarHBondContact O-N 3.15Å; D1388-R1391 PolarHBondContact O-N 3.06Å; D1388-R1391 WeakPolarHBondContact OD1-CD 3.28Å; D1388-R1391 IonicContact OD1-CZ 3.8Å; D1388-R1391 IonicContact OD1-NH1 2.84Å; D1388-R1391 PolarHBondContact OD1-NH1 2.97Å; C1389-R1391 VanDerWaalsContact C-N 3.33Å; C1389-R1391 PolarHBondContact O-N 3.2Å; R1391-A1393 VanDerWaalsContact C-N 3.35Å; R1391-A1393 PolarHBondContact O-N 2.96Å; R1391-L1394 PolarHBondContact O-N 3.11Å; R1391-N1395 WeakPolarHBondContact O-CB 3.36Å; R1391-N1395 VanDerWaalsContact O-CG 3.28Å; R1391-N1395 PolarHBondContact O-N 3.14Å; R1391-N1395 PolarHBondContact O-ND2 2.89Å; R1391-N1395 PolarHBondContact O-OD1 3.1Å; R1391-Q1461 HydrophobicContact CG-CB 4.49Å; R1391-I1462 HydrophobicContact CB-CD1 4.44Å; R1391-I1462 HydrophobicContact CB-CG1 4.23Å; R1391-I1462 HydrophobicContact CG-CD1 3.92Å; R1391-I1462 HydrophobicContact CG-CG1 3.67Å; R1391-L1465 HydrophobicContact CG-CD1 4.02Å |
| 1392 | T | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.1 | -42.7 | 177.4 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | L1293 C1294 F1317 L1321 D1388 C1389 L1394 N1395 I1396 | L1293-T1392 HydrophobicContact CB-CG2 4.34Å; C1294-T1392 WeakPolarHBondContact CA-OG1 3.4Å; C1294-T1392 WeakPolarHBondContact CB-OG1 3.38Å; F1317-T1392 HydrophobicContact CE1-CG2 4.12Å; F1317-T1392 HydrophobicContact CZ-CG2 4.36Å; L1321-T1392 HydrophobicContact CD1-CG2 4Å; D1388-T1392 VanDerWaalsContact O-CB 3.26Å; D1388-T1392 WeakPolarHBondContact O-CB 3.35Å; D1388-T1392 PolarHBondContact O-N 3.17Å; D1388-T1392 PolarHBondContact O-OG1 3.18Å; C1389-T1392 PolarHBondContact O-N 3.21Å; T1392-L1394 PolarHBondContact O-N 3.09Å; T1392-N1395 PolarHBondContact O-N 3.15Å; T1392-I1396 HydrophobicContact CG2-CD1 4.33Å; T1392-I1396 WeakPolarHBondContact O-CD1 3.31Å; T1392-I1396 VanDerWaalsContact O-CG1 3.3Å; T1392-I1396 WeakPolarHBondContact O-CG1 3.42Å; T1392-I1396 PolarHBondContact O-N 3.31Å; T1392-I1396 VanDerWaalsContact O-N 3.12Å |
| 1393 | A | 93.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.9 | -47.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1318 L1321 M1325 C1389 A1390 R1391 N1395 I1396 I1397 L1411 I1415 | L1318-A1393 HydrophobicContact CD2-CB 3.92Å; L1321-A1393 HydrophobicContact CD1-CB 3.96Å; M1325-A1393 HydrophobicContact CE-CB 3.76Å; C1389-A1393 WeakPolarHBondContact O-CB 3.25Å; C1389-A1393 PolarHBondContact O-N 3.13Å; A1390-A1393 PolarHBondContact O-N 3.12Å; R1391-A1393 VanDerWaalsContact C-N 3.35Å; R1391-A1393 PolarHBondContact O-N 2.96Å; A1393-N1395 VanDerWaalsContact C-N 3.34Å; A1393-N1395 PolarHBondContact O-N 3.39Å; A1393-I1396 WeakPolarHBondContact O-CB 3.4Å; A1393-I1396 PolarHBondContact O-N 3.18Å; A1393-I1396 VanDerWaalsContact O-N 3.11Å; A1393-I1397 WeakPolarHBondContact O-CD1 3.38Å; A1393-I1397 VanDerWaalsContact O-CG1 3.26Å; A1393-I1397 WeakPolarHBondContact O-CG1 3.42Å; A1393-I1397 PolarHBondContact O-N 3.05Å; A1393-L1411 HydrophobicContact CB-CD1 4.31Å; A1393-I1415 HydrophobicContact CB-CD1 4.12Å |
| 1394 | L | 92.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.9 | -39 | 175.4 | -73 | 176.2 | 0 | 0 | 0 | 112.6 | A1390 R1391 T1392 I1396 I1397 V1398 I1415 I1462 L1465 L1466 L1469 | A1390-L1394 WeakPolarHBondContact O-CB 3.44Å; A1390-L1394 WeakPolarHBondContact O-CG 3.28Å; A1390-L1394 PolarHBondContact O-N 3.12Å; R1391-L1394 PolarHBondContact O-N 3.11Å; T1392-L1394 PolarHBondContact O-N 3.09Å; L1394-I1396 PolarHBondContact O-N 3.17Å; L1394-I1396 VanDerWaalsContact O-N 3.12Å; L1394-I1397 HydrophobicContact CD2-CD1 4.26Å; L1394-I1397 HydrophobicContact CD2-CG1 4.37Å; L1394-I1397 PolarHBondContact O-N 3.21Å; L1394-I1397 VanDerWaalsContact O-N 3.16Å; L1394-V1398 HydrophobicContact CB-CG2 4.46Å; L1394-V1398 HydrophobicContact CD2-CG2 4.11Å; L1394-V1398 WeakPolarHBondContact O-CB 3.32Å; L1394-V1398 VanDerWaalsContact O-CG2 3.23Å; L1394-V1398 WeakPolarHBondContact O-CG2 3.38Å; L1394-V1398 PolarHBondContact O-N 3.37Å; L1394-I1415 HydrophobicContact CD1-CG2 4.23Å; L1394-I1415 HydrophobicContact CD2-CD1 4Å; L1394-I1415 HydrophobicContact CG-CD1 4.05Å; L1394-I1415 HydrophobicContact CG-CG2 4.43Å; L1394-I1462 HydrophobicContact CD1-CB 4.48Å; L1394-I1462 HydrophobicContact CD1-CG2 3.71Å; L1394-I1462 WeakPolarHBondContact CD1-O 3.17Å; L1394-L1465 HydrophobicContact CB-CB 3.93Å; L1394-L1465 HydrophobicContact CB-CD1 3.98Å; L1394-L1465 HydrophobicContact CB-CG 4.48Å; L1394-L1465 HydrophobicContact CD1-CB 3.72Å; L1394-L1465 HydrophobicContact CD1-CD1 4.46Å; L1394-L1465 HydrophobicContact CG-CB 4.4Å; L1394-L1466 HydrophobicContact CD1-CB 4.4Å; L1394-L1469 HydrophobicContact CD2-CD2 3.92Å |
| 1395 | N | 90.6 | Very high | 87.4 | Confident | 4.4 Ų | 4.4 | 30.6 Ų | 30.6 | 2% | 0.024 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.3 | -33.7 | 174.8 | -78.3 | -24.1 | 0 | 0 | 0 | 112.3 | C1294 S1297 A1298 R1301 R1391 T1392 A1393 L1465 | C1294-N1395 PolarHBondContact O-ND2 2.97Å; S1297-N1395 PolarHBondContact OG-ND2 3.21Å; S1297-N1395 VanDerWaalsContact OG-ND2 3.12Å; A1298-N1395 PolarHBondContact N-ND2 3.17Å; R1301-N1395 WeakPolarHBondContact CB-O 3.42Å; R1301-N1395 VanDerWaalsContact CD-O 3.3Å; R1301-N1395 WeakPolarHBondContact CD-O 3.29Å; R1301-N1395 WeakPolarHBondContact CG-O 3.23Å; R1301-N1395 PolarHBondContact NE-OD1 3.24Å; R1301-N1395 PolarHBondContact NH1-OD1 3.44Å; R1391-N1395 WeakPolarHBondContact O-CB 3.36Å; R1391-N1395 VanDerWaalsContact O-CG 3.28Å; R1391-N1395 PolarHBondContact O-N 3.14Å; R1391-N1395 PolarHBondContact O-ND2 2.89Å; R1391-N1395 PolarHBondContact O-OD1 3.1Å; T1392-N1395 PolarHBondContact O-N 3.15Å; A1393-N1395 VanDerWaalsContact C-N 3.34Å; A1393-N1395 PolarHBondContact O-N 3.39Å; N1395-L1465 VanDerWaalsContact OD1-CD1 3.26Å; N1395-L1465 WeakPolarHBondContact OD1-CD1 3.36Å |
| 1396 | I | 90.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -73.4 | -51.9 | 175.4 | -65 | 163.5 | 0 | 0 | 0 | 110.4 | F1225 M1306 L1314 F1317 L1318 L1321 T1392 A1393 L1394 V1398 G1399 M1402 | F1225-I1396 HydrophobicContact CZ-CD1 4.46Å; M1306-I1396 HydrophobicContact CE-CB 4.46Å; M1306-I1396 HydrophobicContact CE-CG1 3.87Å; M1306-I1396 HydrophobicContact CG-CG2 4.22Å; M1306-I1396 HydrophobicContact SD-CB 4.43Å; M1306-I1396 HydrophobicContact SD-CG1 3.94Å; M1306-I1396 HydrophobicContact SD-CG2 4.35Å; L1314-I1396 HydrophobicContact CD1-CG2 4.41Å; L1314-I1396 HydrophobicContact CD2-CG2 4.24Å; F1317-I1396 HydrophobicContact CD1-CD1 3.82Å; F1317-I1396 HydrophobicContact CE1-CD1 3.78Å; L1318-I1396 HydrophobicContact CD1-CG2 4.46Å; L1318-I1396 HydrophobicContact CD2-CB 4.3Å; L1318-I1396 HydrophobicContact CD2-CD1 3.96Å; L1318-I1396 HydrophobicContact CD2-CG2 4.3Å; L1321-I1396 HydrophobicContact CD1-CD1 4.44Å; T1392-I1396 HydrophobicContact CG2-CD1 4.33Å; T1392-I1396 WeakPolarHBondContact O-CD1 3.31Å; T1392-I1396 VanDerWaalsContact O-CG1 3.3Å; T1392-I1396 WeakPolarHBondContact O-CG1 3.42Å; T1392-I1396 PolarHBondContact O-N 3.31Å; T1392-I1396 VanDerWaalsContact O-N 3.12Å; A1393-I1396 WeakPolarHBondContact O-CB 3.4Å; A1393-I1396 PolarHBondContact O-N 3.18Å; A1393-I1396 VanDerWaalsContact O-N 3.11Å; L1394-I1396 PolarHBondContact O-N 3.17Å; L1394-I1396 VanDerWaalsContact O-N 3.12Å; I1396-V1398 VanDerWaalsContact C-N 3.32Å; I1396-V1398 PolarHBondContact O-N 3.2Å; I1396-G1399 PolarHBondContact O-N 2.91Å; I1396-M1402 HydrophobicContact CG2-CE 3.72Å; I1396-M1402 VanDerWaalsContact O-CE 3.23Å; I1396-M1402 WeakPolarHBondContact O-CE 3.4Å; I1396-M1402 WeakPolarHBondContact O-CG 3.33Å |
| 1397 | I | 89.4 | Confident | 86.5 | Confident | 5.8 Ų | 5.8 | 30.8 Ų | 30.8 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -72.1 | -29.9 | -172.7 | -42.7 | 161.9 | 0 | 0 | 0 | 112.8 | L1318 A1393 L1394 G1399 L1407 L1411 L1469 | L1318-I1397 HydrophobicContact CD1-CG1 4.32Å; L1318-I1397 HydrophobicContact CD1-CG2 3.93Å; L1318-I1397 HydrophobicContact CD2-CG2 4.45Å; A1393-I1397 WeakPolarHBondContact O-CD1 3.38Å; A1393-I1397 VanDerWaalsContact O-CG1 3.26Å; A1393-I1397 WeakPolarHBondContact O-CG1 3.42Å; A1393-I1397 PolarHBondContact O-N 3.05Å; L1394-I1397 HydrophobicContact CD2-CD1 4.26Å; L1394-I1397 HydrophobicContact CD2-CG1 4.37Å; L1394-I1397 PolarHBondContact O-N 3.21Å; L1394-I1397 VanDerWaalsContact O-N 3.16Å; I1397-G1399 PolarHBondContact O-N 3.07Å; I1397-L1407 HydrophobicContact CG2-CD1 3.55Å; I1397-L1411 HydrophobicContact CD1-CD2 3.58Å; I1397-L1411 VanDerWaalsContact CD1-CD2 3.45Å; I1397-L1411 HydrophobicContact CD1-CG 4.32Å; I1397-L1411 HydrophobicContact CG1-CD2 4.35Å; I1397-L1469 HydrophobicContact CB-CD1 4.39Å; I1397-L1469 HydrophobicContact CG2-CD1 3.61Å; I1397-L1469 HydrophobicContact CG2-CD2 4.48Å |
| 1398 | V | 87 | Confident | 86.1 | Confident | 8.8 Ų | 8.8 | 33 Ų | 33 | 5% | 0.053 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 5.3 | 179.8 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | R1301 L1394 I1396 N1468 L1469 L1472 | R1301-V1398 WeakPolarHBondContact CD-O 3.49Å; L1394-V1398 HydrophobicContact CB-CG2 4.46Å; L1394-V1398 HydrophobicContact CD2-CG2 4.11Å; L1394-V1398 WeakPolarHBondContact O-CB 3.32Å; L1394-V1398 VanDerWaalsContact O-CG2 3.23Å; L1394-V1398 WeakPolarHBondContact O-CG2 3.38Å; L1394-V1398 PolarHBondContact O-N 3.37Å; I1396-V1398 VanDerWaalsContact C-N 3.32Å; I1396-V1398 PolarHBondContact O-N 3.2Å; V1398-N1468 HydrophobicContact CG1-CB 3.84Å; V1398-L1469 HydrophobicContact CG2-CB 3.84Å; V1398-L1469 HydrophobicContact CG2-CD1 4.11Å; V1398-L1469 HydrophobicContact CG2-CG 4.48Å; V1398-L1472 HydrophobicContact CG1-CD1 3.9Å |
| 1399 | G | 80.5 | Confident | 85.8 | Confident | 7.2 Ų | 7.2 | 35.6 Ų | 35.6 | 7% | 0.074 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -64.6 | 152.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1396 I1397 M1402 | I1396-G1399 PolarHBondContact O-N 2.91Å; I1397-G1399 PolarHBondContact O-N 3.07Å; G1399-M1402 VanDerWaalsContact O-CG 3.3Å; G1399-M1402 WeakPolarHBondContact O-CG 3.36Å |
| 1400 | P | 76.9 | Confident | 85.5 | Confident | 48.4 Ų | 48.4 | 40.6 Ų | 40.6 | 31% | 0.314 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 150.7 | 169.3 | 29.7 | -34.2 | 0 | 0 | 0 | 110.8 | G1304 M1402 V1993 | G1304-P1400 VanDerWaalsContact CA-CG 3.46Å; P1400-M1402 PolarHBondContact O-N 2.97Å; P1400-M1402 VanDerWaalsContact O-N 3.09Å; P1400-V1993 HydrophobicContact CB-CG2 4.36Å |
| 1401 | D | 74.3 | Confident | 85.3 | Confident | 148.2 Ų | 148.2 | 40.6 Ų | 40.6 | 79% | 0.793 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 28.6 | 177 | -56.7 | -36.7 | 0 | 0 | 0 | 115.5 | ||
| 1402 | M | 81.3 | Confident | 85.2 | Confident | 29.2 Ų | 29.2 | 38.8 Ų | 38.8 | 14% | 0.144 | 20% | 0.201 | C | C | . | . | trans | -72.6 | 131.5 | -178.8 | -71.7 | -59.5 | -72.5 | 0 | 0 | 112.4 | M1306 L1314 I1396 G1399 P1400 L1406 | M1306-M1402 HydrophobicContact CB-CE 4.35Å; M1306-M1402 HydrophobicContact CB-SD 3.69Å; M1306-M1402 HydrophobicContact CG-CE 3.56Å; M1306-M1402 HydrophobicContact CG-SD 3.58Å; M1306-M1402 VanDerWaalsContact CG-SD 3.56Å; L1314-M1402 HydrophobicContact CD1-CE 3.89Å; I1396-M1402 HydrophobicContact CG2-CE 3.72Å; I1396-M1402 VanDerWaalsContact O-CE 3.23Å; I1396-M1402 WeakPolarHBondContact O-CE 3.4Å; I1396-M1402 WeakPolarHBondContact O-CG 3.33Å; G1399-M1402 VanDerWaalsContact O-CG 3.3Å; G1399-M1402 WeakPolarHBondContact O-CG 3.36Å; P1400-M1402 PolarHBondContact O-N 2.97Å; P1400-M1402 VanDerWaalsContact O-N 3.09Å; M1402-L1406 HydrophobicContact CE-CD1 3.24Å | ||
| 1403 | P | 79.4 | Confident | 85.2 | Confident | 40.4 Ų | 40.4 | 41.8 Ų | 41.8 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | trans | -70 | 138.8 | -173.4 | 22 | -29.4 | 0 | 0 | 0 | 112.6 | T1311 P1405 L1406 | T1311-P1403 HydrophobicContact CG2-CB 4Å; T1311-P1403 HydrophobicContact CG2-CG 3.42Å; T1311-P1403 VanDerWaalsContact CG2-CG 3.43Å; T1311-P1403 WeakPolarHBondContact OG1-CG 3.32Å; P1403-P1405 VanDerWaalsContact C-N 3.33Å; P1403-P1405 VanDerWaalsContact O-CD 3.29Å; P1403-P1405 WeakPolarHBondContact O-CD 3.4Å; P1403-P1405 VanDerWaalsContact O-N 3.14Å; P1403-L1406 HydrophobicContact CG-CD1 3.74Å; P1403-L1406 HydrophobicContact CG-CG 4.27Å; P1403-L1406 WeakPolarHBondContact O-CB 3.38Å; P1403-L1406 PolarHBondContact O-N 3.25Å; P1403-L1406 VanDerWaalsContact O-N 3.11Å | ||
| 1404 | R | 78.2 | Confident | 85 | Confident | 194.8 Ų | 194.8 | 42.3 Ų | 42.3 | 74% | 0.735 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -49 | -38 | -172.8 | -62.1 | -176.9 | -175.9 | -161 | 2.1 | 116.1 | L1406 L1407 R1476 | R1404-L1406 VanDerWaalsContact C-N 3.29Å; R1404-L1406 PolarHBondContact O-N 3.27Å; R1404-L1406 VanDerWaalsContact O-N 3.08Å; R1404-L1407 WeakPolarHBondContact O-CB 3.43Å; R1404-L1407 PolarHBondContact O-N 2.98Å; R1404-L1407 VanDerWaalsContact O-N 3.09Å; R1404-R1476 PolarHBondContact O-NH1 3.07Å; R1404-R1476 PolarHBondContact O-NH2 3.28Å |
| 1405 | P | 78.6 | Confident | 85 | Confident | 85.8 Ų | 85.8 | 42.3 Ų | 42.3 | 56% | 0.557 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -64.2 | -15.3 | -179.6 | -24.4 | 35.9 | 0 | 0 | 0 | 115.4 | T1311 P1403 L1407 | T1311-P1405 HydrophobicContact CG2-CB 4.5Å; P1403-P1405 VanDerWaalsContact C-N 3.33Å; P1403-P1405 VanDerWaalsContact O-CD 3.29Å; P1403-P1405 WeakPolarHBondContact O-CD 3.4Å; P1403-P1405 VanDerWaalsContact O-N 3.14Å; P1405-L1407 VanDerWaalsContact C-N 3.3Å; P1405-L1407 PolarHBondContact O-N 3.34Å |
| 1406 | L | 81.9 | Confident | 85.2 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -77.5 | -16.2 | 177.3 | -61.9 | 174.8 | 0 | 0 | 0 | 113.1 | T1311 L1314 V1315 L1318 M1402 P1403 R1404 M1408 | T1311-L1406 HydrophobicContact CG2-CD2 4.02Å; T1311-L1406 HydrophobicContact CG2-CG 4.04Å; L1314-L1406 HydrophobicContact CB-CD1 4.22Å; L1314-L1406 HydrophobicContact CB-CD2 3.56Å; L1314-L1406 VanDerWaalsContact CB-CD2 3.5Å; L1314-L1406 HydrophobicContact CD1-CD1 3.74Å; V1315-L1406 HydrophobicContact CB-CD2 4.38Å; V1315-L1406 HydrophobicContact CG2-CD2 3.59Å; L1318-L1406 HydrophobicContact CD1-CB 4.22Å; L1318-L1406 HydrophobicContact CD1-CD2 4.03Å; L1318-L1406 HydrophobicContact CD1-CG 4.5Å; M1402-L1406 HydrophobicContact CE-CD1 3.24Å; P1403-L1406 HydrophobicContact CG-CD1 3.74Å; P1403-L1406 HydrophobicContact CG-CG 4.27Å; P1403-L1406 WeakPolarHBondContact O-CB 3.38Å; P1403-L1406 PolarHBondContact O-N 3.25Å; P1403-L1406 VanDerWaalsContact O-N 3.11Å; R1404-L1406 VanDerWaalsContact C-N 3.29Å; R1404-L1406 PolarHBondContact O-N 3.27Å; R1404-L1406 VanDerWaalsContact O-N 3.08Å; L1406-M1408 VanDerWaalsContact C-N 3.31Å; L1406-M1408 PolarHBondContact O-N 3.26Å |
| 1407 | L | 82.2 | Confident | 85.1 | Confident | 31.4 Ų | 31.4 | 44.5 Ų | 44.5 | 16% | 0.164 | 24% | 0.236 | C | C | . | . | trans | -84.5 | 65.4 | 177.7 | -166.1 | 73.1 | 0 | 0 | 0 | 110.8 | I1397 R1404 P1405 I1412 L1469 Q1473 R1476 F1477 | I1397-L1407 HydrophobicContact CG2-CD1 3.55Å; R1404-L1407 WeakPolarHBondContact O-CB 3.43Å; R1404-L1407 PolarHBondContact O-N 2.98Å; R1404-L1407 VanDerWaalsContact O-N 3.09Å; P1405-L1407 VanDerWaalsContact C-N 3.3Å; P1405-L1407 PolarHBondContact O-N 3.34Å; L1407-I1412 HydrophobicContact CD1-CD1 3.76Å; L1407-I1412 HydrophobicContact CG-CD1 4.29Å; L1407-L1469 HydrophobicContact CD1-CD1 4Å; L1407-Q1473 HydrophobicContact CD1-CG 4.43Å; L1407-Q1473 HydrophobicContact CD2-CB 4.36Å; L1407-Q1473 HydrophobicContact CD2-CG 4.05Å; L1407-R1476 HydrophobicContact CD2-CG 4.25Å; L1407-R1476 VanDerWaalsContact CD2-NH1 3.29Å; L1407-F1477 HydrophobicContact CD1-CE1 3.97Å; L1407-F1477 HydrophobicContact CD1-CZ 4.2Å; L1407-F1477 HydrophobicContact CD2-CD1 4.48Å; L1407-F1477 HydrophobicContact CD2-CE1 3.84Å; L1407-F1477 HydrophobicContact CD2-CZ 4.23Å; L1407-F1477 HydrophobicContact CG-CE1 4.02Å; L1407-F1477 HydrophobicContact CG-CZ 4.43Å | ||
| 1408 | M | 84.9 | Confident | 85.2 | Confident | 46.2 Ų | 46.2 | 44.3 Ų | 44.3 | 23% | 0.228 | 24% | 0.235 | C | C | . | . | trans | -75.9 | 124.2 | 174.6 | -61.1 | 179.9 | -67.7 | 0 | 0 | 109.1 | V1315 L1318 L1406 D1410 L1411 I1412 | V1315-M1408 HydrophobicContact CG1-CE 4.38Å; V1315-M1408 HydrophobicContact CG1-SD 4.21Å; L1318-M1408 HydrophobicContact CB-CE 3.83Å; L1318-M1408 HydrophobicContact CD1-CE 4.21Å; L1406-M1408 VanDerWaalsContact C-N 3.31Å; L1406-M1408 PolarHBondContact O-N 3.26Å; M1408-D1410 VanDerWaalsContact C-N 3.31Å; M1408-D1410 PolarHBondContact O-N 3.1Å; M1408-L1411 HydrophobicContact CB-CB 4.09Å; M1408-L1411 HydrophobicContact CE-CB 4.46Å; M1408-L1411 HydrophobicContact CE-CD2 4.16Å; M1408-L1411 WeakPolarHBondContact O-CB 3.34Å; M1408-L1411 PolarHBondContact O-N 3.02Å; M1408-L1411 VanDerWaalsContact O-N 3.16Å; M1408-I1412 PolarHBondContact O-N 3.11Å | ||
| 1409 | E | 86.3 | Confident | 85.5 | Confident | 55 Ų | 55 | 43.9 Ų | 43.9 | 26% | 0.257 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.8 | -39.5 | 179.1 | -65.4 | -161.1 | 153.4 | 0 | 0 | 111.9 | L1411 I1412 E1413 F1477 T1478 L1481 | E1409-L1411 PolarHBondContact O-N 3.02Å; E1409-L1411 VanDerWaalsContact O-N 3.13Å; E1409-I1412 CarbonylContact O-C 3.28Å; E1409-I1412 WeakPolarHBondContact O-CA 3.42Å; E1409-I1412 PolarHBondContact O-N 3.23Å; E1409-E1413 WeakPolarHBondContact O-CB 3.47Å; E1409-E1413 PolarHBondContact O-N 3.27Å; E1409-F1477 VanDerWaalsContact OE1-CA 3.25Å; E1409-F1477 WeakPolarHBondContact OE1-CA 3.37Å; E1409-T1478 WeakPolarHBondContact OE1-CG2 3.4Å; E1409-T1478 PolarHBondContact OE1-N 3.1Å; E1409-T1478 PolarHBondContact OE1-OG1 2.94Å; E1409-T1478 VanDerWaalsContact OE2-CB 3.29Å; E1409-T1478 WeakPolarHBondContact OE2-CB 3.28Å; E1409-T1478 WeakPolarHBondContact OE2-CG2 3.39Å; E1409-T1478 PolarHBondContact OE2-OG1 3.16Å; E1409-L1481 HydrophobicContact CB-CD2 4.3Å; E1409-L1481 HydrophobicContact CG-CD2 4.36Å |
| 1410 | D | 88 | Confident | 86.1 | Confident | 106.4 Ų | 106.4 | 47.1 Ų | 47.1 | 57% | 0.569 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -53.3 | -34.5 | 175.6 | -54.4 | -26.7 | 0 | 0 | 0 | 112.7 | L1322 M1408 G1414 | L1322-D1410 HydrophobicContact CD2-CB 4.45Å; M1408-D1410 VanDerWaalsContact C-N 3.31Å; M1408-D1410 PolarHBondContact O-N 3.1Å; D1410-G1414 PolarHBondContact O-N 3.18Å |
| 1411 | L | 90.8 | Very high | 86.7 | Confident | 0.4 Ų | 0.4 | 46.4 Ų | 46.4 | 0% | 0.002 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.6 | -41.5 | 177.5 | 176.2 | 66 | 0 | 0 | 0 | 111.5 | L1318 L1322 M1325 A1393 I1397 M1408 E1409 G1414 I1415 | L1318-L1411 HydrophobicContact CB-CD2 3.87Å; L1318-L1411 HydrophobicContact CD1-CD2 3.9Å; L1318-L1411 HydrophobicContact CD2-CD2 4.06Å; L1318-L1411 HydrophobicContact CG-CD2 4.15Å; L1322-L1411 HydrophobicContact CB-CD1 4Å; L1322-L1411 HydrophobicContact CD1-CD1 4.41Å; M1325-L1411 HydrophobicContact CE-CD1 3.81Å; A1393-L1411 HydrophobicContact CB-CD1 4.31Å; I1397-L1411 HydrophobicContact CD1-CD2 3.58Å; I1397-L1411 VanDerWaalsContact CD1-CD2 3.45Å; I1397-L1411 HydrophobicContact CD1-CG 4.32Å; I1397-L1411 HydrophobicContact CG1-CD2 4.35Å; M1408-L1411 HydrophobicContact CB-CB 4.09Å; M1408-L1411 HydrophobicContact CE-CB 4.46Å; M1408-L1411 HydrophobicContact CE-CD2 4.16Å; M1408-L1411 WeakPolarHBondContact O-CB 3.34Å; M1408-L1411 PolarHBondContact O-N 3.02Å; M1408-L1411 VanDerWaalsContact O-N 3.16Å; E1409-L1411 PolarHBondContact O-N 3.02Å; E1409-L1411 VanDerWaalsContact O-N 3.13Å; L1411-G1414 PolarHBondContact O-N 3.27Å; L1411-I1415 HydrophobicContact CD1-CD1 4.35Å; L1411-I1415 HydrophobicContact CG-CD1 4.18Å; L1411-I1415 WeakPolarHBondContact O-CD1 3.38Å; L1411-I1415 VanDerWaalsContact O-CG1 3.25Å; L1411-I1415 WeakPolarHBondContact O-CG1 3.35Å; L1411-I1415 PolarHBondContact O-N 3.1Å |
| 1412 | I | 91.2 | Very high | 87.4 | Confident | 0.2 Ų | 0.2 | 39.4 Ų | 39.4 | 0% | 0.001 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.2 | -40 | 178.2 | -53.7 | 169.4 | 0 | 0 | 0 | 109.8 | L1407 M1408 E1409 G1414 I1415 V1416 L1466 L1469 F1477 L1481 | L1407-I1412 HydrophobicContact CD1-CD1 3.76Å; L1407-I1412 HydrophobicContact CG-CD1 4.29Å; M1408-I1412 PolarHBondContact O-N 3.11Å; E1409-I1412 CarbonylContact O-C 3.28Å; E1409-I1412 WeakPolarHBondContact O-CA 3.42Å; E1409-I1412 PolarHBondContact O-N 3.23Å; I1412-G1414 VanDerWaalsContact C-N 3.32Å; I1412-G1414 PolarHBondContact O-N 3.19Å; I1412-I1415 WeakPolarHBondContact O-CB 3.22Å; I1412-I1415 PolarHBondContact O-N 3.07Å; I1412-V1416 HydrophobicContact CG2-CG2 4.38Å; I1412-V1416 WeakPolarHBondContact O-CB 3.39Å; I1412-V1416 VanDerWaalsContact O-CG2 3.27Å; I1412-V1416 WeakPolarHBondContact O-CG2 3.28Å; I1412-V1416 PolarHBondContact O-N 3.17Å; I1412-L1466 HydrophobicContact CG2-CD1 4.32Å; I1412-L1469 HydrophobicContact CD1-CD2 3.95Å; I1412-L1469 HydrophobicContact CG1-CD2 4.21Å; I1412-L1469 HydrophobicContact CG2-CD2 4.41Å; I1412-F1477 HydrophobicContact CD1-CD1 3.9Å; I1412-F1477 HydrophobicContact CD1-CE1 3.24Å; I1412-F1477 HydrophobicContact CD1-CZ 3.96Å; I1412-L1481 HydrophobicContact CB-CD1 4.28Å; I1412-L1481 HydrophobicContact CB-CD2 4.01Å; I1412-L1481 HydrophobicContact CD1-CD2 4.29Å; I1412-L1481 HydrophobicContact CG2-CD1 3.95Å; I1412-L1481 HydrophobicContact CG2-CD2 3.96Å; I1412-L1481 HydrophobicContact CG2-CG 4.43Å |
| 1413 | E | 90.7 | Very high | 87.8 | Confident | 62.2 Ų | 62.2 | 38.1 Ų | 38.1 | 29% | 0.291 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 172.5 | -133.3 | 179.5 | -179.4 | 0 | 0 | 111.3 | E1409 V1416 S1417 N1480 L1481 N1484 | E1409-E1413 WeakPolarHBondContact O-CB 3.47Å; E1409-E1413 PolarHBondContact O-N 3.27Å; E1413-V1416 PolarHBondContact O-N 3.05Å; E1413-S1417 VanDerWaalsContact O-CB 3.26Å; E1413-S1417 WeakPolarHBondContact O-CB 3.4Å; E1413-S1417 PolarHBondContact O-N 3.13Å; E1413-N1480 PolarHBondContact OE1-ND2 3.04Å; E1413-L1481 HydrophobicContact CB-CD1 4.06Å; E1413-L1481 HydrophobicContact CG-CB 4.3Å; E1413-L1481 HydrophobicContact CG-CD1 4.11Å; E1413-L1481 HydrophobicContact CG-CG 4.42Å; E1413-N1484 PolarHBondContact OE1-ND2 3.19Å; E1413-N1484 VanDerWaalsContact OE1-ND2 3.13Å |
| 1414 | G | 90.3 | Very high | 88.2 | Confident | 11.2 Ų | 11.2 | 39.8 Ų | 39.8 | 12% | 0.115 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.4 | -45.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1410 L1411 I1412 S1417 V1418 | D1410-G1414 PolarHBondContact O-N 3.18Å; L1411-G1414 PolarHBondContact O-N 3.27Å; I1412-G1414 VanDerWaalsContact C-N 3.32Å; I1412-G1414 PolarHBondContact O-N 3.19Å; G1414-S1417 PolarHBondContact O-N 3.22Å; G1414-V1418 WeakPolarHBondContact O-CG1 3.44Å; G1414-V1418 WeakPolarHBondContact O-CG2 3.37Å; G1414-V1418 PolarHBondContact O-N 3.07Å |
| 1415 | I | 93.3 | Very high | 88.6 | Confident | 0.2 Ų | 0.2 | 31.3 Ų | 31.3 | 0% | 0.001 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.8 | -48.3 | 174.9 | -70.3 | 159.3 | 0 | 0 | 0 | 110.8 | M1325 A1390 A1393 L1394 L1411 I1412 S1417 V1418 V1419 I1462 | M1325-I1415 HydrophobicContact CE-CG1 4.09Å; M1325-I1415 HydrophobicContact SD-CB 4.46Å; M1325-I1415 HydrophobicContact SD-CG1 3.51Å; M1325-I1415 VanDerWaalsContact SD-CG1 3.53Å; M1325-I1415 WeakPolarHBondContact SD-CG1 3.46Å; A1390-I1415 HydrophobicContact CB-CG1 4.08Å; A1390-I1415 HydrophobicContact CB-CG2 4.2Å; A1393-I1415 HydrophobicContact CB-CD1 4.12Å; L1394-I1415 HydrophobicContact CD1-CG2 4.23Å; L1394-I1415 HydrophobicContact CD2-CD1 4Å; L1394-I1415 HydrophobicContact CG-CD1 4.05Å; L1394-I1415 HydrophobicContact CG-CG2 4.43Å; L1411-I1415 HydrophobicContact CD1-CD1 4.35Å; L1411-I1415 HydrophobicContact CG-CD1 4.18Å; L1411-I1415 WeakPolarHBondContact O-CD1 3.38Å; L1411-I1415 VanDerWaalsContact O-CG1 3.25Å; L1411-I1415 WeakPolarHBondContact O-CG1 3.35Å; L1411-I1415 PolarHBondContact O-N 3.1Å; I1412-I1415 WeakPolarHBondContact O-CB 3.22Å; I1412-I1415 PolarHBondContact O-N 3.07Å; I1415-S1417 VanDerWaalsContact C-N 3.32Å; I1415-S1417 PolarHBondContact O-N 3.32Å; I1415-V1418 VanDerWaalsContact O-CG1 3.3Å; I1415-V1418 WeakPolarHBondContact O-CG1 3.42Å; I1415-V1418 PolarHBondContact O-N 3.17Å; I1415-V1419 HydrophobicContact CG2-CG2 4.29Å; I1415-V1419 WeakPolarHBondContact O-CB 3.33Å; I1415-V1419 WeakPolarHBondContact O-CG2 3.3Å; I1415-V1419 PolarHBondContact O-N 2.89Å; I1415-I1462 HydrophobicContact CG2-CG2 4.08Å |
| 1416 | V | 92.8 | Very high | 88.9 | Confident | 4.2 Ų | 4.2 | 27.4 Ų | 27.4 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.5 | -41.3 | 179.9 | 169.5 | 0 | 0 | 0 | 0 | 111 | I1412 E1413 V1419 K1420 L1466 L1481 N1484 L1485 L1488 | I1412-V1416 HydrophobicContact CG2-CG2 4.38Å; I1412-V1416 WeakPolarHBondContact O-CB 3.39Å; I1412-V1416 VanDerWaalsContact O-CG2 3.27Å; I1412-V1416 WeakPolarHBondContact O-CG2 3.28Å; I1412-V1416 PolarHBondContact O-N 3.17Å; E1413-V1416 PolarHBondContact O-N 3.05Å; V1416-V1419 PolarHBondContact O-N 3.29Å; V1416-K1420 WeakPolarHBondContact O-CB 3.45Å; V1416-K1420 PolarHBondContact O-N 3.22Å; V1416-L1466 HydrophobicContact CG2-CD2 4.33Å; V1416-L1481 HydrophobicContact CG2-CD1 4.38Å; V1416-N1484 HydrophobicContact CG1-CB 4.09Å; V1416-L1485 HydrophobicContact CG2-CD1 3.82Å; V1416-L1485 HydrophobicContact CG2-CD2 3.43Å; V1416-L1485 VanDerWaalsContact CG2-CD2 3.43Å; V1416-L1485 HydrophobicContact CG2-CG 4.1Å; V1416-L1488 HydrophobicContact CB-CD2 4.31Å; V1416-L1488 HydrophobicContact CG1-CB 4.39Å; V1416-L1488 HydrophobicContact CG1-CD2 4.06Å; V1416-L1488 HydrophobicContact CG2-CD2 4.31Å |
| 1417 | S | 90.1 | Very high | 88.9 | Confident | 47.4 Ų | 47.4 | 28.3 Ų | 28.3 | 33% | 0.331 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -61.9 | -51.3 | 177.5 | -177.5 | 0 | 0 | 0 | 0 | 112 | E1413 G1414 I1415 V1419 K1420 H1421 | E1413-S1417 VanDerWaalsContact O-CB 3.26Å; E1413-S1417 WeakPolarHBondContact O-CB 3.4Å; E1413-S1417 PolarHBondContact O-N 3.13Å; G1414-S1417 PolarHBondContact O-N 3.22Å; I1415-S1417 VanDerWaalsContact C-N 3.32Å; I1415-S1417 PolarHBondContact O-N 3.32Å; S1417-V1419 VanDerWaalsContact C-N 3.34Å; S1417-V1419 PolarHBondContact O-N 3.14Å; S1417-K1420 PolarHBondContact O-N 3.16Å; S1417-H1421 WeakPolarHBondContact O-CB 3.33Å; S1417-H1421 PolarHBondContact O-N 3.2Å |
| 1418 | V | 91.2 | Very high | 88.9 | Confident | 0.8 Ų | 0.8 | 31.6 Ų | 31.6 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | 177.8 | 134.5 | 0 | 0 | 0 | 0 | 111.3 | M1325 A1328 A1329 L1387 A1390 G1414 I1415 K1420 H1421 Q1422 | M1325-V1418 HydrophobicContact CB-CB 4.45Å; M1325-V1418 HydrophobicContact CB-CG1 4.3Å; M1325-V1418 HydrophobicContact CB-CG2 4.02Å; M1325-V1418 HydrophobicContact CG-CG1 4.39Å; M1325-V1418 WeakPolarHBondContact O-CG2 3.42Å; M1325-V1418 HydrophobicContact SD-CG1 4.49Å; A1328-V1418 HydrophobicContact CB-CG1 4.18Å; A1328-V1418 HydrophobicContact CB-CG2 3.95Å; A1329-V1418 HydrophobicContact CB-CB 4.38Å; A1329-V1418 HydrophobicContact CB-CG2 4Å; L1387-V1418 HydrophobicContact CD2-CG1 4.21Å; L1387-V1418 HydrophobicContact CG-CG1 4.48Å; A1390-V1418 HydrophobicContact CB-CG1 4.24Å; G1414-V1418 WeakPolarHBondContact O-CG1 3.44Å; G1414-V1418 WeakPolarHBondContact O-CG2 3.37Å; G1414-V1418 PolarHBondContact O-N 3.07Å; I1415-V1418 VanDerWaalsContact O-CG1 3.3Å; I1415-V1418 WeakPolarHBondContact O-CG1 3.42Å; I1415-V1418 PolarHBondContact O-N 3.17Å; V1418-K1420 VanDerWaalsContact C-N 3.35Å; V1418-K1420 PolarHBondContact O-N 2.98Å; V1418-H1421 PolarHBondContact O-N 2.97Å; V1418-Q1422 HydrophobicContact CG1-CG 4.21Å; V1418-Q1422 HydrophobicContact CG2-CG 4.09Å; V1418-Q1422 VanDerWaalsContact O-CB 3.28Å; V1418-Q1422 WeakPolarHBondContact O-CB 3.4Å; V1418-Q1422 VanDerWaalsContact O-CG 3.27Å; V1418-Q1422 WeakPolarHBondContact O-CG 3.36Å; V1418-Q1422 PolarHBondContact O-N 3.22Å |
| 1419 | V | 93 | Very high | 88.7 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.7 | -41 | -177.9 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | L1387 I1415 V1416 S1417 L1423 I1459 I1462 M1463 L1488 | L1387-V1419 HydrophobicContact CD2-CG2 4.33Å; I1415-V1419 HydrophobicContact CG2-CG2 4.29Å; I1415-V1419 WeakPolarHBondContact O-CB 3.33Å; I1415-V1419 WeakPolarHBondContact O-CG2 3.3Å; I1415-V1419 PolarHBondContact O-N 2.89Å; V1416-V1419 PolarHBondContact O-N 3.29Å; S1417-V1419 VanDerWaalsContact C-N 3.34Å; S1417-V1419 PolarHBondContact O-N 3.14Å; V1419-L1423 WeakPolarHBondContact O-CB 3.28Å; V1419-L1423 PolarHBondContact O-N 3.06Å; V1419-I1459 HydrophobicContact CG1-CG2 4.06Å; V1419-I1462 HydrophobicContact CG1-CG2 4.47Å; V1419-I1462 HydrophobicContact CG2-CB 4.23Å; V1419-I1462 HydrophobicContact CG2-CD1 4.14Å; V1419-I1462 HydrophobicContact CG2-CG2 3.41Å; V1419-I1462 VanDerWaalsContact CG2-CG2 3.48Å; V1419-M1463 HydrophobicContact CG1-CE 3.73Å; V1419-M1463 HydrophobicContact CG1-SD 4.29Å; V1419-L1488 HydrophobicContact CB-CD1 4.48Å; V1419-L1488 HydrophobicContact CB-CD2 4.37Å; V1419-L1488 HydrophobicContact CG1-CD1 4.06Å; V1419-L1488 HydrophobicContact CG1-CD2 4.21Å |
| 1420 | K | 91.8 | Very high | 88.2 | Confident | 75.2 Ų | 75.2 | 27.1 Ų | 27.1 | 33% | 0.327 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -62.2 | -51.3 | 176.5 | -177 | 175 | 178.5 | 174.2 | 0 | 111.2 | V1416 S1417 V1418 Q1422 L1423 D1424 S1487 L1488 | V1416-K1420 WeakPolarHBondContact O-CB 3.45Å; V1416-K1420 PolarHBondContact O-N 3.22Å; S1417-K1420 PolarHBondContact O-N 3.16Å; V1418-K1420 VanDerWaalsContact C-N 3.35Å; V1418-K1420 PolarHBondContact O-N 2.98Å; K1420-Q1422 PolarHBondContact O-N 3.17Å; K1420-L1423 WeakPolarHBondContact O-CB 3.43Å; K1420-L1423 PolarHBondContact O-N 3.16Å; K1420-L1423 VanDerWaalsContact O-N 3.15Å; K1420-D1424 PolarHBondContact O-N 3.25Å; K1420-S1487 PolarHBondContact NZ-OG 3.15Å; K1420-L1488 HydrophobicContact CB-CD1 4.23Å |
| 1421 | H | 89.4 | Confident | 87.5 | Confident | 33 Ų | 33 | 26.2 Ų | 26.2 | 15% | 0.153 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.1 | -45.4 | 179.2 | -179 | 70.2 | 0 | 0 | 0 | 112.6 | A1328 A1329 V1331 S1332 S1417 V1418 L1423 D1424 C1425 | A1328-H1421 PolarHBondContact O-CD2 3.39Å; A1329-H1421 PolarHBondContact O-CD2 3.08Å; A1329-H1421 PolarHBondContact O-NE2 3.38Å; V1331-H1421 PolarHBondContact O-CD2 3.01Å; V1331-H1421 PolarHBondContact O-NE2 3.24Å; S1332-H1421 PolarHBondContact OG-CE1 3.11Å; S1332-H1421 VanDerWaalsContact OG-CE1 3.28Å; S1332-H1421 PolarHBondContact OG-NE2 3.48Å; S1417-H1421 WeakPolarHBondContact O-CB 3.33Å; S1417-H1421 PolarHBondContact O-N 3.2Å; V1418-H1421 PolarHBondContact O-N 2.97Å; H1421-L1423 VanDerWaalsContact C-N 3.33Å; H1421-L1423 PolarHBondContact O-N 3.21Å; H1421-D1424 PolarHBondContact O-N 3.25Å; H1421-C1425 WeakPolarHBondContact O-CB 3.42Å; H1421-C1425 PolarHBondContact O-N 3.26Å; H1421-C1425 PolarHBondContact O-SG 3.1Å |
| 1422 | Q | 89.9 | Confident | 86.5 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.009 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70 | -30.9 | 178.1 | -64.7 | -61.1 | -31.5 | 0 | 0 | 112.3 | A1328 V1331 S1383 L1387 V1418 K1420 C1425 L1426 I1459 | A1328-Q1422 PolarHBondContact O-NE2 3Å; A1328-Q1422 VanDerWaalsContact O-NE2 3.1Å; V1331-Q1422 PolarHBondContact O-NE2 3.08Å; V1331-Q1422 VanDerWaalsContact O-NE2 3.17Å; S1383-Q1422 PolarHBondContact OG-NE2 3.1Å; S1383-Q1422 VanDerWaalsContact OG-NE2 3.14Å; S1383-Q1422 PolarHBondContact OG-OE1 3.31Å; L1387-Q1422 HydrophobicContact CD1-CB 4.26Å; L1387-Q1422 HydrophobicContact CD1-CG 4.3Å; L1387-Q1422 HydrophobicContact CD2-CB 4.32Å; L1387-Q1422 HydrophobicContact CD2-CG 4.2Å; L1387-Q1422 HydrophobicContact CG-CG 4.42Å; V1418-Q1422 HydrophobicContact CG1-CG 4.21Å; V1418-Q1422 HydrophobicContact CG2-CG 4.09Å; V1418-Q1422 VanDerWaalsContact O-CB 3.28Å; V1418-Q1422 WeakPolarHBondContact O-CB 3.4Å; V1418-Q1422 VanDerWaalsContact O-CG 3.27Å; V1418-Q1422 WeakPolarHBondContact O-CG 3.36Å; V1418-Q1422 PolarHBondContact O-N 3.22Å; K1420-Q1422 PolarHBondContact O-N 3.17Å; Q1422-C1425 PolarHBondContact O-N 2.92Å; Q1422-L1426 VanDerWaalsContact O-CB 3.27Å; Q1422-L1426 WeakPolarHBondContact O-CB 3.35Å; Q1422-L1426 PolarHBondContact O-N 3.19Å; Q1422-I1459 HydrophobicContact CB-CD1 4.17Å |
| 1423 | L | 89.6 | Confident | 85.3 | Confident | 1.4 Ų | 1.4 | 31.4 Ų | 31.4 | 1% | 0.007 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.6 | -41.5 | 172.5 | 177.8 | 60.9 | 0 | 0 | 0 | 111.9 | V1419 K1420 H1421 C1425 L1426 I1427 I1459 L1488 A1491 I1492 L1550 | V1419-L1423 WeakPolarHBondContact O-CB 3.28Å; V1419-L1423 PolarHBondContact O-N 3.06Å; K1420-L1423 WeakPolarHBondContact O-CB 3.43Å; K1420-L1423 PolarHBondContact O-N 3.16Å; K1420-L1423 VanDerWaalsContact O-N 3.15Å; H1421-L1423 VanDerWaalsContact C-N 3.33Å; H1421-L1423 PolarHBondContact O-N 3.21Å; L1423-C1425 VanDerWaalsContact C-N 3.34Å; L1423-L1426 HydrophobicContact CD1-CD2 4.22Å; L1423-L1426 VanDerWaalsContact O-CB 3.31Å; L1423-L1426 WeakPolarHBondContact O-CB 3.31Å; L1423-L1426 PolarHBondContact O-N 3.25Å; L1423-I1427 HydrophobicContact CD1-CD1 4.09Å; L1423-I1427 HydrophobicContact CD1-CG1 4.27Å; L1423-I1427 HydrophobicContact CG-CD1 4.02Å; L1423-I1427 WeakPolarHBondContact O-CB 3.36Å; L1423-I1427 VanDerWaalsContact O-CG1 3.3Å; L1423-I1427 WeakPolarHBondContact O-CG1 3.34Å; L1423-I1427 PolarHBondContact O-N 3.09Å; L1423-I1459 HydrophobicContact CB-CD1 4.39Å; L1423-I1459 HydrophobicContact CD1-CG2 4.43Å; L1423-L1488 HydrophobicContact CD2-CD1 4.09Å; L1423-A1491 HydrophobicContact CD2-CB 3.8Å; L1423-I1492 HydrophobicContact CD1-CD1 4.1Å; L1423-I1492 HydrophobicContact CD1-CG1 4.11Å; L1423-I1492 HydrophobicContact CD2-CD1 4.07Å; L1423-I1492 HydrophobicContact CD2-CG1 4.26Å; L1423-L1550 HydrophobicContact CD1-CD2 3.94Å |
| 1424 | D | 87.3 | Confident | 84 | Confident | 75.8 Ų | 75.8 | 30.2 Ų | 30.2 | 41% | 0.405 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.4 | -43 | 175.6 | -70.2 | -29.1 | 0 | 0 | 0 | 110.6 | K1420 H1421 L1426 I1427 H1428 | K1420-D1424 PolarHBondContact O-N 3.25Å; H1421-D1424 PolarHBondContact O-N 3.25Å; D1424-L1426 VanDerWaalsContact C-N 3.32Å; D1424-L1426 PolarHBondContact O-N 2.95Å; D1424-I1427 PolarHBondContact O-N 3.2Å; D1424-H1428 VanDerWaalsContact O-CB 3.27Å; D1424-H1428 WeakPolarHBondContact O-CB 3.31Å; D1424-H1428 PolarHBondContact O-N 3.31Å; D1424-H1428 PolarHBondContact O-ND1 3.27Å |
| 1425 | C | 87.2 | Confident | 82.6 | Confident | 17.4 Ų | 17.4 | 33.6 Ų | 33.6 | 12% | 0.118 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.3 | -41.3 | 172.1 | -67.1 | 0 | 0 | 0 | 0 | 112.1 | P1333 H1421 Q1422 L1423 H1428 N1429 | P1333-C1425 HydrophobicContact CG-CB 4.47Å; H1421-C1425 WeakPolarHBondContact O-CB 3.42Å; H1421-C1425 PolarHBondContact O-N 3.26Å; H1421-C1425 PolarHBondContact O-SG 3.1Å; Q1422-C1425 PolarHBondContact O-N 2.92Å; L1423-C1425 VanDerWaalsContact C-N 3.34Å; C1425-H1428 PolarHBondContact O-N 2.83Å; C1425-N1429 VanDerWaalsContact O-CB 3.29Å; C1425-N1429 WeakPolarHBondContact O-CB 3.23Å; C1425-N1429 VanDerWaalsContact O-CG 3.29Å; C1425-N1429 PolarHBondContact O-N 2.94Å; C1425-N1429 PolarHBondContact O-ND2 3.22Å |
| 1426 | L | 85.6 | Confident | 80.7 | Confident | 2.8 Ų | 2.8 | 40.2 Ų | 40.2 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.8 | -51.1 | 176.4 | 179 | 68.4 | 0 | 0 | 0 | 111.2 | Q1422 L1423 D1424 H1428 N1429 I1430 L1452 I1455 I1459 W1546 | Q1422-L1426 VanDerWaalsContact O-CB 3.27Å; Q1422-L1426 WeakPolarHBondContact O-CB 3.35Å; Q1422-L1426 PolarHBondContact O-N 3.19Å; L1423-L1426 HydrophobicContact CD1-CD2 4.22Å; L1423-L1426 VanDerWaalsContact O-CB 3.31Å; L1423-L1426 WeakPolarHBondContact O-CB 3.31Å; L1423-L1426 PolarHBondContact O-N 3.25Å; D1424-L1426 VanDerWaalsContact C-N 3.32Å; D1424-L1426 PolarHBondContact O-N 2.95Å; L1426-H1428 VanDerWaalsContact C-N 3.33Å; L1426-H1428 PolarHBondContact O-N 3.13Å; L1426-N1429 PolarHBondContact O-N 3.12Å; L1426-I1430 HydrophobicContact CD1-CD1 3.89Å; L1426-I1430 HydrophobicContact CD1-CG1 4.22Å; L1426-I1430 HydrophobicContact CG-CD1 4.2Å; L1426-I1430 WeakPolarHBondContact O-CD1 3.3Å; L1426-I1430 VanDerWaalsContact O-CG1 3.29Å; L1426-I1430 WeakPolarHBondContact O-CG1 3.33Å; L1426-I1430 PolarHBondContact O-N 3.16Å; L1426-L1452 HydrophobicContact CD1-CD1 3.35Å; L1426-L1452 VanDerWaalsContact CD1-CD1 3.45Å; L1426-L1452 HydrophobicContact CD1-CD2 4.18Å; L1426-L1452 HydrophobicContact CD1-CG 3.56Å; L1426-L1452 WeakPolarHBondContact CD1-O 3.34Å; L1426-L1452 HydrophobicContact CG-CD1 4.26Å; L1426-L1452 HydrophobicContact CG-CG 4.41Å; L1426-I1455 HydrophobicContact CD1-CB 4.2Å; L1426-I1455 HydrophobicContact CD1-CG2 4Å; L1426-I1459 HydrophobicContact CB-CD1 4.48Å; L1426-I1459 HydrophobicContact CD2-CD1 3.96Å; L1426-W1546 HydrophobicContact CD1-CH2 3.96Å; L1426-W1546 HydrophobicContact CD1-CZ2 4.23Å; L1426-W1546 HydrophobicContact CD2-CE3 4.5Å; L1426-W1546 HydrophobicContact CD2-CH2 3.6Å; L1426-W1546 HydrophobicContact CD2-CZ2 4.23Å; L1426-W1546 HydrophobicContact CD2-CZ3 3.72Å; L1426-W1546 HydrophobicContact CG-CH2 4.16Å |
| 1427 | I | 82.2 | Confident | 78.6 | Confident | 21.2 Ų | 21.2 | 43 Ų | 43 | 11% | 0.109 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.3 | -45.1 | 179.5 | -68.3 | 166.7 | 0 | 0 | 0 | 110.8 | L1423 D1424 N1429 I1430 M1431 I1492 Y1495 I1503 | L1423-I1427 HydrophobicContact CD1-CD1 4.09Å; L1423-I1427 HydrophobicContact CD1-CG1 4.27Å; L1423-I1427 HydrophobicContact CG-CD1 4.02Å; L1423-I1427 WeakPolarHBondContact O-CB 3.36Å; L1423-I1427 VanDerWaalsContact O-CG1 3.3Å; L1423-I1427 WeakPolarHBondContact O-CG1 3.34Å; L1423-I1427 PolarHBondContact O-N 3.09Å; D1424-I1427 PolarHBondContact O-N 3.2Å; I1427-N1429 VanDerWaalsContact C-N 3.34Å; I1427-N1429 PolarHBondContact O-N 3.13Å; I1427-I1430 WeakPolarHBondContact O-CB 3.44Å; I1427-I1430 PolarHBondContact O-N 3.29Å; I1427-M1431 HydrophobicContact CG2-CE 4.23Å; I1427-M1431 HydrophobicContact CG2-CG 4.5Å; I1427-M1431 HydrophobicContact CG2-SD 4.24Å; I1427-M1431 WeakPolarHBondContact O-CG 3.42Å; I1427-M1431 PolarHBondContact O-N 3.2Å; I1427-I1492 HydrophobicContact CD1-CD1 4.17Å; I1427-Y1495 HydrophobicContact CD1-CG 4.49Å; I1427-Y1495 HydrophobicContact CG2-CD2 3.61Å; I1427-Y1495 VanDerWaalsContact CG2-CD2 3.45Å; I1427-Y1495 HydrophobicContact CG2-CE2 3.71Å; I1427-Y1495 HydrophobicContact CG2-CG 4.31Å; I1427-I1503 HydrophobicContact CG1-CD1 4.36Å |
| 1428 | H | 81.1 | Confident | 76.3 | Confident | 101 Ų | 101 | 45.5 Ų | 45.5 | 47% | 0.468 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.6 | -42.2 | 178.2 | -158.9 | 75.4 | 0 | 0 | 0 | 112.2 | D1424 C1425 L1426 M1431 R1432 | D1424-H1428 VanDerWaalsContact O-CB 3.27Å; D1424-H1428 WeakPolarHBondContact O-CB 3.31Å; D1424-H1428 PolarHBondContact O-N 3.31Å; D1424-H1428 PolarHBondContact O-ND1 3.27Å; C1425-H1428 PolarHBondContact O-N 2.83Å; L1426-H1428 VanDerWaalsContact C-N 3.33Å; L1426-H1428 PolarHBondContact O-N 3.13Å; H1428-M1431 PolarHBondContact O-N 3.18Å; H1428-R1432 PolarHBondContact CD2-NH1 3.36Å; H1428-R1432 PolarHBondContact NE2-NH1 2.81Å; H1428-R1432 PolarHBondContact NE2-NH2 3.28Å; H1428-R1432 WeakPolarHBondContact O-CB 3.43Å; H1428-R1432 PolarHBondContact O-N 3.04Å; H1428-R1432 VanDerWaalsContact O-N 3.08Å |
| 1429 | N | 80.7 | Confident | 74.1 | Confident | 3.2 Ų | 3.2 | 54.1 Ų | 54.1 | 2% | 0.017 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 176 | -78.9 | -47.7 | 0 | 0 | 0 | 112.3 | P1333 I1335 C1425 L1426 I1427 R1432 V1433 L1452 | P1333-N1429 PolarHBondContact O-ND2 3.17Å; P1333-N1429 VanDerWaalsContact O-ND2 3.12Å; I1335-N1429 HydrophobicContact CB-CB 4.3Å; I1335-N1429 WeakPolarHBondContact CB-OD1 3.46Å; I1335-N1429 HydrophobicContact CD1-CB 3.65Å; I1335-N1429 HydrophobicContact CG1-CB 4.11Å; I1335-N1429 HydrophobicContact CG2-CB 4.15Å; I1335-N1429 VanDerWaalsContact CG2-OD1 3.3Å; I1335-N1429 WeakPolarHBondContact CG2-OD1 3.39Å; I1335-N1429 PolarHBondContact N-OD1 3.1Å; I1335-N1429 VanDerWaalsContact N-OD1 3.15Å; C1425-N1429 VanDerWaalsContact O-CB 3.29Å; C1425-N1429 WeakPolarHBondContact O-CB 3.23Å; C1425-N1429 VanDerWaalsContact O-CG 3.29Å; C1425-N1429 PolarHBondContact O-N 2.94Å; C1425-N1429 PolarHBondContact O-ND2 3.22Å; L1426-N1429 PolarHBondContact O-N 3.12Å; I1427-N1429 VanDerWaalsContact C-N 3.34Å; I1427-N1429 PolarHBondContact O-N 3.13Å; N1429-R1432 PolarHBondContact O-N 3.08Å; N1429-R1432 PolarHBondContact OD1-NH1 3.1Å; N1429-R1432 VanDerWaalsContact OD1-NH1 3.12Å; N1429-V1433 VanDerWaalsContact O-CG2 3.29Å; N1429-V1433 WeakPolarHBondContact O-CG2 3.39Å; N1429-V1433 PolarHBondContact O-N 3.13Å; N1429-V1433 VanDerWaalsContact O-N 3.09Å; N1429-L1452 HydrophobicContact CB-CD1 4.11Å; N1429-L1452 HydrophobicContact CB-CD2 4.32Å |
| 1430 | I | 76.3 | Confident | 71.6 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.5 | -52.3 | 172.3 | -68.4 | 165.6 | 0 | 0 | 0 | 109.9 | L1426 I1427 R1432 V1433 T1434 L1452 I1503 E1506 W1507 W1546 | L1426-I1430 HydrophobicContact CD1-CD1 3.89Å; L1426-I1430 HydrophobicContact CD1-CG1 4.22Å; L1426-I1430 HydrophobicContact CG-CD1 4.2Å; L1426-I1430 WeakPolarHBondContact O-CD1 3.3Å; L1426-I1430 VanDerWaalsContact O-CG1 3.29Å; L1426-I1430 WeakPolarHBondContact O-CG1 3.33Å; L1426-I1430 PolarHBondContact O-N 3.16Å; I1427-I1430 WeakPolarHBondContact O-CB 3.44Å; I1427-I1430 PolarHBondContact O-N 3.29Å; I1430-R1432 VanDerWaalsContact C-N 3.3Å; I1430-R1432 PolarHBondContact O-N 3.14Å; I1430-V1433 PolarHBondContact O-N 2.98Å; I1430-V1433 VanDerWaalsContact O-N 3.14Å; I1430-T1434 HydrophobicContact CG2-CG2 4.34Å; I1430-T1434 VanDerWaalsContact O-CG2 3.25Å; I1430-T1434 WeakPolarHBondContact O-CG2 3.32Å; I1430-T1434 PolarHBondContact O-N 3.15Å; I1430-T1434 PolarHBondContact O-OG1 3.13Å; I1430-T1434 VanDerWaalsContact O-OG1 3.11Å; I1430-L1452 HydrophobicContact CB-CD2 4.33Å; I1430-L1452 HydrophobicContact CD1-CD2 4.42Å; I1430-L1452 HydrophobicContact CG1-CD2 3.46Å; I1430-L1452 VanDerWaalsContact CG1-CD2 3.4Å; I1430-L1452 HydrophobicContact CG1-CG 4.26Å; I1430-I1503 HydrophobicContact CD1-CD1 3.79Å; I1430-I1503 HydrophobicContact CD1-CG1 3.87Å; I1430-E1506 HydrophobicContact CG2-CB 4.18Å; I1430-W1507 HydrophobicContact CB-CZ2 4.48Å; I1430-W1507 HydrophobicContact CD1-CE3 4.49Å; I1430-W1507 HydrophobicContact CD1-CH2 3.64Å; I1430-W1507 HydrophobicContact CD1-CZ2 3.36Å; I1430-W1507 HydrophobicContact CG1-CH2 4.46Å; I1430-W1507 HydrophobicContact CG1-CZ2 3.89Å; I1430-W1507 HydrophobicContact CG2-CZ2 3.81Å; I1430-W1546 HydrophobicContact CD1-CH2 4.06Å; I1430-W1546 HydrophobicContact CD1-CZ2 4.21Å |
| 1431 | M | 73.2 | Confident | 69 | Low | 87.4 Ų | 87.4 | 69.8 Ų | 69.8 | 43% | 0.431 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | -178.1 | -107.3 | -176.8 | 57.7 | 0 | 0 | 112.2 | I1427 H1428 V1433 T1434 S1435 Y1495 | I1427-M1431 HydrophobicContact CG2-CE 4.23Å; I1427-M1431 HydrophobicContact CG2-CG 4.5Å; I1427-M1431 HydrophobicContact CG2-SD 4.24Å; I1427-M1431 WeakPolarHBondContact O-CG 3.42Å; I1427-M1431 PolarHBondContact O-N 3.2Å; H1428-M1431 PolarHBondContact O-N 3.18Å; M1431-V1433 VanDerWaalsContact C-N 3.35Å; M1431-V1433 PolarHBondContact O-N 3.11Å; M1431-T1434 WeakPolarHBondContact CA-OG1 3.31Å; M1431-T1434 PolarHBondContact O-N 2.93Å; M1431-T1434 PolarHBondContact O-OG1 3.27Å; M1431-T1434 VanDerWaalsContact O-OG1 3.11Å; M1431-S1435 WeakPolarHBondContact O-CB 3.42Å; M1431-S1435 PolarHBondContact O-N 3.23Å; M1431-S1435 PolarHBondContact O-OG 3.14Å; M1431-Y1495 HydrophobicContact CG-CE2 4.2Å; M1431-Y1495 WeakPolarHBondContact CG-OH 3.33Å; M1431-Y1495 HydrophobicContact SD-CE2 3.75Å |
| 1432 | R | 70.2 | Confident | 66.6 | Low | 87 Ų | 87 | 72.2 Ų | 72.2 | 33% | 0.328 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 177 | -166.8 | 179.3 | -120.1 | 128 | 0.5 | 112.2 | N1334 H1428 N1429 I1430 T1434 S1435 H1436 | N1334-R1432 PolarHBondContact OD1-NH1 3.4Å; N1334-R1432 VanDerWaalsContact OD1-NH1 3.07Å; H1428-R1432 PolarHBondContact CD2-NH1 3.36Å; H1428-R1432 PolarHBondContact NE2-NH1 2.81Å; H1428-R1432 PolarHBondContact NE2-NH2 3.28Å; H1428-R1432 WeakPolarHBondContact O-CB 3.43Å; H1428-R1432 PolarHBondContact O-N 3.04Å; H1428-R1432 VanDerWaalsContact O-N 3.08Å; N1429-R1432 PolarHBondContact O-N 3.08Å; N1429-R1432 PolarHBondContact OD1-NH1 3.1Å; N1429-R1432 VanDerWaalsContact OD1-NH1 3.12Å; I1430-R1432 VanDerWaalsContact C-N 3.3Å; I1430-R1432 PolarHBondContact O-N 3.14Å; R1432-T1434 VanDerWaalsContact C-N 3.27Å; R1432-T1434 PolarHBondContact O-N 3.08Å; R1432-S1435 PolarHBondContact O-N 3.15Å; R1432-S1435 PolarHBondContact O-OG 3.29Å; R1432-S1435 VanDerWaalsContact O-OG 3.06Å; R1432-H1436 VanDerWaalsContact CG-CD2 3.49Å; R1432-H1436 WeakPolarHBondContact CG-CD2 3.4Å; R1432-H1436 PolarHBondContact O-CD2 3.14Å; R1432-H1436 PolarHBondContact O-N 3.36Å |
| 1433 | V | 66.3 | Low | 64.3 | Low | 23 Ų | 23 | 77.1 Ų | 77.1 | 14% | 0.139 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.7 | -39.1 | 179.1 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | I1335 N1429 I1430 M1431 S1435 H1436 T1437 V1445 F1449 F1510 | I1335-V1433 HydrophobicContact CD1-CG2 4Å; I1335-V1433 HydrophobicContact CG1-CG2 4.18Å; I1335-V1433 HydrophobicContact CG2-CG2 3.97Å; N1429-V1433 VanDerWaalsContact O-CG2 3.29Å; N1429-V1433 WeakPolarHBondContact O-CG2 3.39Å; N1429-V1433 PolarHBondContact O-N 3.13Å; N1429-V1433 VanDerWaalsContact O-N 3.09Å; I1430-V1433 PolarHBondContact O-N 2.98Å; I1430-V1433 VanDerWaalsContact O-N 3.14Å; M1431-V1433 VanDerWaalsContact C-N 3.35Å; M1431-V1433 PolarHBondContact O-N 3.11Å; V1433-S1435 VanDerWaalsContact C-N 3.3Å; V1433-S1435 PolarHBondContact O-N 2.57Å; V1433-H1436 PolarHBondContact O-N 3.18Å; V1433-T1437 PolarHBondContact O-N 3.15Å; V1433-T1437 PolarHBondContact O-OG1 3.33Å; V1433-V1445 HydrophobicContact CG1-CG1 4.1Å; V1433-F1449 HydrophobicContact CB-CE1 4.09Å; V1433-F1449 HydrophobicContact CB-CE2 4.26Å; V1433-F1449 HydrophobicContact CB-CZ 3.73Å; V1433-F1449 HydrophobicContact CG1-CD2 3.97Å; V1433-F1449 HydrophobicContact CG1-CE1 3.94Å; V1433-F1449 HydrophobicContact CG1-CE2 3.25Å; V1433-F1449 HydrophobicContact CG1-CZ 3.23Å; V1433-F1510 HydrophobicContact CB-CD2 4.22Å; V1433-F1510 HydrophobicContact CB-CE2 3.77Å; V1433-F1510 HydrophobicContact CB-CZ 4.35Å; V1433-F1510 HydrophobicContact CG1-CD1 4.4Å; V1433-F1510 HydrophobicContact CG1-CD2 3.61Å; V1433-F1510 HydrophobicContact CG1-CE1 3.87Å; V1433-F1510 HydrophobicContact CG1-CE2 3.48Å; V1433-F1510 HydrophobicContact CG1-CZ 3.78Å; V1433-F1510 HydrophobicContact CG2-CE2 3.84Å; V1433-F1510 HydrophobicContact CG2-CZ 4.49Å |
| 1434 | T | 63.3 | Low | 62.2 | Low | 36.6 Ų | 36.6 | 80.9 Ų | 80.9 | 23% | 0.225 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -68.3 | -33.3 | 177.5 | 58.3 | 0 | 0 | 0 | 0 | 113.6 | I1430 M1431 R1432 H1436 T1437 F1449 E1506 F1510 | I1430-T1434 HydrophobicContact CG2-CG2 4.34Å; I1430-T1434 VanDerWaalsContact O-CG2 3.25Å; I1430-T1434 WeakPolarHBondContact O-CG2 3.32Å; I1430-T1434 PolarHBondContact O-N 3.15Å; I1430-T1434 PolarHBondContact O-OG1 3.13Å; I1430-T1434 VanDerWaalsContact O-OG1 3.11Å; M1431-T1434 WeakPolarHBondContact CA-OG1 3.31Å; M1431-T1434 PolarHBondContact O-N 2.93Å; M1431-T1434 PolarHBondContact O-OG1 3.27Å; M1431-T1434 VanDerWaalsContact O-OG1 3.11Å; R1432-T1434 VanDerWaalsContact C-N 3.27Å; R1432-T1434 PolarHBondContact O-N 3.08Å; T1434-H1436 VanDerWaalsContact C-N 3.35Å; T1434-H1436 PolarHBondContact O-N 3.47Å; T1434-T1437 PolarHBondContact O-OG1 3.13Å; T1434-F1449 HydrophobicContact CG2-CE1 4.44Å; T1434-F1449 HydrophobicContact CG2-CZ 4.12Å; T1434-E1506 HydrophobicContact CG2-CB 4.14Å; T1434-E1506 HydrophobicContact CG2-CG 4.25Å; T1434-F1510 HydrophobicContact CG2-CB 4.42Å; T1434-F1510 HydrophobicContact CG2-CE2 3.66Å; T1434-F1510 HydrophobicContact CG2-CZ 3.89Å |
| 1435 | S | 60.8 | Low | 60.4 | Low | 82.8 Ų | 82.8 | 79.9 Ų | 79.9 | 58% | 0.579 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -76.6 | -26.6 | -179.6 | 58.5 | 0 | 0 | 0 | 0 | 113.9 | M1431 R1432 V1433 | M1431-S1435 WeakPolarHBondContact O-CB 3.42Å; M1431-S1435 PolarHBondContact O-N 3.23Å; M1431-S1435 PolarHBondContact O-OG 3.14Å; R1432-S1435 PolarHBondContact O-N 3.15Å; R1432-S1435 PolarHBondContact O-OG 3.29Å; R1432-S1435 VanDerWaalsContact O-OG 3.06Å; V1433-S1435 VanDerWaalsContact C-N 3.3Å; V1433-S1435 PolarHBondContact O-N 2.57Å |
| 1436 | H | 51.8 | Low | 58.8 | Low | 139 Ų | 139 | 81 Ų | 81 | 64% | 0.644 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 2.4 | -176.1 | -69.1 | -53.9 | 0 | 0 | 0 | 114.8 | R1432 V1433 T1434 P1438 | R1432-H1436 VanDerWaalsContact CG-CD2 3.49Å; R1432-H1436 WeakPolarHBondContact CG-CD2 3.4Å; R1432-H1436 PolarHBondContact O-CD2 3.14Å; R1432-H1436 PolarHBondContact O-N 3.36Å; V1433-H1436 PolarHBondContact O-N 3.18Å; T1434-H1436 VanDerWaalsContact C-N 3.35Å; T1434-H1436 PolarHBondContact O-N 3.47Å; H1436-P1438 VanDerWaalsContact O-CD 3.24Å; H1436-P1438 WeakPolarHBondContact O-CD 3.28Å |
| 1437 | T | 49.3 | Very low | 57.5 | Low | 62.8 Ų | 62.8 | 82.4 Ų | 82.4 | 39% | 0.385 | 44% | 0.441 | S | S | . | . | trans | -103 | 84 | 178.2 | 43.8 | 0 | 0 | 0 | 0 | 112.5 | V1433 T1434 V1445 F1510 | V1433-T1437 PolarHBondContact O-N 3.15Å; V1433-T1437 PolarHBondContact O-OG1 3.33Å; T1434-T1437 PolarHBondContact O-OG1 3.13Å; T1437-V1445 HydrophobicContact CG2-CG2 4.24Å; T1437-F1510 HydrophobicContact CG2-CE1 4.3Å; T1437-F1510 HydrophobicContact CG2-CZ 4.38Å; T1437-F1510 WeakPolarHBondContact OG1-CE1 3.39Å | ||
| 1438 | P | 43 | Very low | 56.7 | Low | 98.2 Ų | 98.2 | 82.1 Ų | 82.1 | 64% | 0.638 | 44% | 0.44 | S | S | * | . | trans | -64.5 | 141.3 | 167.7 | 28 | -33.1 | 0 | 0 | 0 | 110.2 | H1436 Y1440 Q1441 | H1436-P1438 VanDerWaalsContact O-CD 3.24Å; H1436-P1438 WeakPolarHBondContact O-CD 3.28Å; P1438-Y1440 PolarHBondContact O-N 3.32Å; P1438-Q1441 PolarHBondContact O-N 3.48Å | ||
| 1439 | H | 44 | Very low | 55.9 | Low | 182.2 Ų | 182.2 | 78.2 Ų | 78.2 | 84% | 0.844 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.8 | 27.4 | -173.3 | -112 | -34.1 | 0 | 0 | 0 | 116.8 | ||
| 1440 | Y | 40.3 | Very low | 55.2 | Low | 222.4 Ų | 222.4 | 79 Ų | 79 | 87% | 0.872 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.4 | 44 | 177.8 | -99.1 | -84.9 | 0 | 0 | 0 | 115.8 | P1438 S1442 | P1438-Y1440 PolarHBondContact O-N 3.32Å; Y1440-S1442 VanDerWaalsContact C-N 3.33Å; Y1440-S1442 PolarHBondContact O-N 2.98Å |
| 1441 | Q | 37.5 | Very low | 55 | Low | 183.4 Ų | 183.4 | 78.8 Ų | 78.8 | 86% | 0.857 | 43% | 0.427 | S | S | * | . | trans | -111 | 87.6 | -179.7 | -64.6 | 179.4 | 7.3 | 0 | 0 | 111.7 | P1438 | P1438-Q1441 PolarHBondContact O-N 3.48Š| ||
| 1442 | S | 39.6 | Very low | 55.2 | Low | 82.4 Ų | 82.4 | 74.7 Ų | 74.7 | 58% | 0.576 | 41% | 0.407 | S | S | * | . | trans | -139.2 | 78.5 | 174.2 | 167.7 | 0 | 0 | 0 | 0 | 112.8 | Y1440 S1444 | Y1440-S1442 VanDerWaalsContact C-N 3.33Å; Y1440-S1442 PolarHBondContact O-N 2.98Å; S1442-S1444 VanDerWaalsContact C-N 3.25Å; S1442-S1444 PolarHBondContact O-N 3.18Å; S1442-S1444 VanDerWaalsContact O-N 3.1Å | ||
| 1443 | S | 41.5 | Very low | 55.6 | Low | 105 Ų | 105 | 70.6 Ų | 70.6 | 73% | 0.734 | 39% | 0.392 | S | S | * | . | trans | -79.7 | 6.9 | -173.8 | 61.4 | 0 | 0 | 0 | 0 | 115 | K1516 | S1443-K1516 PolarHBondContact O-NZ 2.99Å; S1443-K1516 VanDerWaalsContact O-NZ 3.16Å | ||
| 1444 | S | 44.1 | Very low | 56.2 | Low | 81.6 Ų | 81.6 | 70.8 Ų | 70.8 | 57% | 0.571 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -109.4 | 104.9 | 178.7 | 78.4 | 0 | 0 | 0 | 0 | 112.1 | S1442 S1446 | S1442-S1444 VanDerWaalsContact C-N 3.25Å; S1442-S1444 PolarHBondContact O-N 3.18Å; S1442-S1444 VanDerWaalsContact O-N 3.1Å; S1444-S1446 PolarHBondContact O-N 3.15Å |
| 1445 | V | 49.7 | Very low | 57.2 | Low | 54.4 Ų | 54.4 | 69.1 Ų | 69.1 | 33% | 0.33 | 38% | 0.381 | S | S | . | . | trans | -57.2 | 106.6 | 170.4 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | V1433 T1437 F1449 F1510 L1512 K1516 | V1433-V1445 HydrophobicContact CG1-CG1 4.1Å; T1437-V1445 HydrophobicContact CG2-CG2 4.24Å; V1445-F1449 HydrophobicContact CG1-CB 4.21Å; V1445-F1449 HydrophobicContact CG1-CD1 4.29Å; V1445-F1449 HydrophobicContact CG1-CG 4.44Å; V1445-F1510 HydrophobicContact CG1-CE1 4.06Å; V1445-F1510 HydrophobicContact CG1-CZ 3.96Å; V1445-L1512 HydrophobicContact CB-CD1 4.27Å; V1445-L1512 HydrophobicContact CG2-CD1 3.38Å; V1445-L1512 VanDerWaalsContact CG2-CD1 3.48Å; V1445-L1512 VanDerWaalsContact N-CD1 3.34Å; V1445-K1516 HydrophobicContact CG2-CB 3.55Å; V1445-K1516 HydrophobicContact CG2-CD 4.3Å | ||
| 1446 | S | 55.1 | Low | 58.4 | Low | 41.4 Ų | 41.4 | 65.2 Ų | 65.2 | 29% | 0.29 | 35% | 0.353 | S | S | . | . | trans | -65.9 | 129.9 | -179.6 | 61.8 | 0 | 0 | 0 | 0 | 110.2 | S1444 S1448 F1449 F1510 | S1444-S1446 PolarHBondContact O-N 3.15Å; S1446-S1448 PolarHBondContact O-N 3.17Å; S1446-S1448 VanDerWaalsContact O-N 3.12Å; S1446-F1449 WeakPolarHBondContact O-CB 3.41Å; S1446-F1449 PolarHBondContact O-N 3.28Å; S1446-F1449 VanDerWaalsContact O-N 3.11Å; S1446-F1449 WeakPolarHBondContact OG-CD2 3.33Å; S1446-F1449 WeakPolarHBondContact OG-CE2 3.28Å; S1446-F1510 WeakPolarHBondContact OG-CE2 3.45Å; S1446-F1510 VanDerWaalsContact OG-CZ 3.28Å; S1446-F1510 WeakPolarHBondContact OG-CZ 3.5Å | ||
| 1447 | P | 58.1 | Low | 60 | Low | 30.4 Ų | 30.4 | 60.5 Ų | 60.5 | 20% | 0.197 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.7 | -29.9 | -178.8 | 24.5 | -34.1 | 0 | 0 | 0 | 112.2 | I1338 H1342 T1370 F1449 S1450 I1451 | I1338-P1447 HydrophobicContact CG2-CG 4.39Å; H1342-P1447 HydrophobicContact CB-CG 3.87Å; H1342-P1447 VanDerWaalsContact CD2-CB 3.45Å; H1342-P1447 WeakPolarHBondContact CD2-CB 3.32Å; H1342-P1447 VanDerWaalsContact CE1-CG 3.43Å; H1342-P1447 WeakPolarHBondContact CE1-CG 3.4Å; H1342-P1447 VanDerWaalsContact NE2-CB 3.3Å; H1342-P1447 WeakPolarHBondContact NE2-CB 3.38Å; T1370-P1447 HydrophobicContact CG2-CB 4.38Å; P1447-F1449 VanDerWaalsContact C-N 3.27Å; P1447-F1449 PolarHBondContact O-N 3.14Å; P1447-F1449 VanDerWaalsContact O-N 3.13Å; P1447-S1450 PolarHBondContact O-N 3.04Å; P1447-S1450 VanDerWaalsContact O-N 3.11Å; P1447-I1451 HydrophobicContact CB-CD1 4.46Å; P1447-I1451 WeakPolarHBondContact O-CD1 3.31Å; P1447-I1451 VanDerWaalsContact O-CG1 3.26Å; P1447-I1451 WeakPolarHBondContact O-CG1 3.25Å; P1447-I1451 PolarHBondContact O-N 2.94Å; P1447-I1451 VanDerWaalsContact O-N 3.08Å |
| 1448 | S | 64.3 | Low | 61.8 | Low | 15 Ų | 15 | 58.3 Ų | 58.3 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -50.5 | -34.9 | 172.6 | -52.6 | 0 | 0 | 0 | 0 | 113.5 | S1446 I1451 L1452 | S1446-S1448 PolarHBondContact O-N 3.17Å; S1446-S1448 VanDerWaalsContact O-N 3.12Å; S1448-I1451 WeakPolarHBondContact O-CB 3.47Å; S1448-L1452 WeakPolarHBondContact O-CB 3.21Å; S1448-L1452 PolarHBondContact O-N 3.31Å; S1448-L1452 VanDerWaalsContact O-N 3.14Å |
| 1449 | F | 64.4 | Low | 64 | Low | 19.6 Ų | 19.6 | 53.6 Ų | 53.6 | 9% | 0.086 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.1 | -51 | 178 | -170.2 | -93.8 | 0 | 0 | 0 | 112.8 | V1433 T1434 V1445 S1446 P1447 I1451 L1452 G1453 W1507 F1510 L1511 L1517 V1544 | V1433-F1449 HydrophobicContact CB-CE1 4.09Å; V1433-F1449 HydrophobicContact CB-CE2 4.26Å; V1433-F1449 HydrophobicContact CB-CZ 3.73Å; V1433-F1449 HydrophobicContact CG1-CD2 3.97Å; V1433-F1449 HydrophobicContact CG1-CE1 3.94Å; V1433-F1449 HydrophobicContact CG1-CE2 3.25Å; V1433-F1449 HydrophobicContact CG1-CZ 3.23Å; T1434-F1449 HydrophobicContact CG2-CE1 4.44Å; T1434-F1449 HydrophobicContact CG2-CZ 4.12Å; V1445-F1449 HydrophobicContact CG1-CB 4.21Å; V1445-F1449 HydrophobicContact CG1-CD1 4.29Å; V1445-F1449 HydrophobicContact CG1-CG 4.44Å; S1446-F1449 WeakPolarHBondContact O-CB 3.41Å; S1446-F1449 PolarHBondContact O-N 3.28Å; S1446-F1449 VanDerWaalsContact O-N 3.11Å; S1446-F1449 WeakPolarHBondContact OG-CD2 3.33Å; S1446-F1449 WeakPolarHBondContact OG-CE2 3.28Å; P1447-F1449 VanDerWaalsContact C-N 3.27Å; P1447-F1449 PolarHBondContact O-N 3.14Å; P1447-F1449 VanDerWaalsContact O-N 3.13Å; F1449-I1451 VanDerWaalsContact C-N 3.31Å; F1449-I1451 PolarHBondContact O-N 3.36Å; F1449-L1452 CarbonylContact O-C 3.59Å; F1449-L1452 WeakPolarHBondContact O-CA 3.42Å; F1449-L1452 WeakPolarHBondContact O-CB 3.42Å; F1449-L1452 PolarHBondContact O-N 3.19Å; F1449-L1452 VanDerWaalsContact O-N 3.1Å; F1449-G1453 PolarHBondContact O-N 3.13Å; F1449-G1453 VanDerWaalsContact O-N 3.09Å; F1449-W1507 HydrophobicContact CD2-CE3 4.26Å; F1449-W1507 AromaticContact CD2-CH2 3.71Å; F1449-W1507 HydrophobicContact CD2-CH2 3.71Å; F1449-W1507 AromaticContact CD2-CZ2 3.65Å; F1449-W1507 HydrophobicContact CD2-CZ2 3.88Å; F1449-W1507 AromaticContact CD2-CZ3 3.78Å; F1449-W1507 HydrophobicContact CD2-CZ3 4.12Å; F1449-W1507 HydrophobicContact CE1-CH2 4.2Å; F1449-W1507 HydrophobicContact CE1-CZ2 4.1Å; F1449-W1507 HydrophobicContact CE2-CB 3.74Å; F1449-W1507 AromaticContact CE2-CD2 3.74Å; F1449-W1507 HydrophobicContact CE2-CD2 4.09Å; F1449-W1507 AromaticContact CE2-CE2 3.58Å; F1449-W1507 VanDerWaalsContact CE2-CE2 3.49Å; F1449-W1507 AromaticContact CE2-CE3 3.78Å; F1449-W1507 HydrophobicContact CE2-CE3 3.78Å; F1449-W1507 AromaticContact CE2-CG 3.56Å; F1449-W1507 HydrophobicContact CE2-CG 3.56Å; F1449-W1507 AromaticContact CE2-CH2 3.56Å; F1449-W1507 HydrophobicContact CE2-CH2 3.56Å; F1449-W1507 AromaticContact CE2-CZ2 3.23Å; F1449-W1507 HydrophobicContact CE2-CZ2 3.23Å; F1449-W1507 VanDerWaalsContact CE2-CZ2 3.44Å; F1449-W1507 AromaticContact CE2-CZ3 3.5Å; F1449-W1507 HydrophobicContact CE2-CZ3 3.99Å; F1449-W1507 VanDerWaalsContact CE2-CZ3 3.5Å; F1449-W1507 AromaticContact CE2-NE1 3.86Å; F1449-W1507 HydrophobicContact CG-CH2 4.42Å; F1449-W1507 HydrophobicContact CZ-CB 3.75Å; F1449-W1507 HydrophobicContact CZ-CD2 4.2Å; F1449-W1507 AromaticContact CZ-CE2 3.66Å; F1449-W1507 AromaticContact CZ-CE3 3.9Å; F1449-W1507 HydrophobicContact CZ-CE3 3.9Å; F1449-W1507 HydrophobicContact CZ-CG 4Å; F1449-W1507 AromaticContact CZ-CH2 3.54Å; F1449-W1507 HydrophobicContact CZ-CH2 3.54Å; F1449-W1507 AromaticContact CZ-CZ2 3.64Å; F1449-W1507 HydrophobicContact CZ-CZ2 3.64Å; F1449-W1507 HydrophobicContact CZ-CZ3 4.18Å; F1449-W1507 WeakPolarHBondContact O-CH2 3.33Å; F1449-F1510 HydrophobicContact CB-CD1 4.17Å; F1449-F1510 HydrophobicContact CB-CE1 3.66Å; F1449-F1510 HydrophobicContact CB-CZ 4.05Å; F1449-F1510 HydrophobicContact CD2-CB 3.96Å; F1449-F1510 AromaticContact CD2-CD1 3.91Å; F1449-F1510 HydrophobicContact CD2-CD1 4.12Å; F1449-F1510 HydrophobicContact CD2-CD2 4.16Å; F1449-F1510 HydrophobicContact CD2-CE1 4.28Å; F1449-F1510 AromaticContact CD2-CG 3.83Å; F1449-F1510 HydrophobicContact CD2-CG 3.83Å; F1449-F1510 HydrophobicContact CE1-CD2 4.03Å; F1449-F1510 HydrophobicContact CE1-CE2 4.42Å; F1449-F1510 HydrophobicContact CE2-CB 4.02Å; F1449-F1510 AromaticContact CE2-CD1 3.64Å; F1449-F1510 HydrophobicContact CE2-CD1 3.64Å; F1449-F1510 AromaticContact CE2-CD2 3.36Å; F1449-F1510 HydrophobicContact CE2-CD2 3.36Å; F1449-F1510 HydrophobicContact CE2-CE1 4.06Å; F1449-F1510 AromaticContact CE2-CE2 3.86Å; F1449-F1510 HydrophobicContact CE2-CE2 3.86Å; F1449-F1510 AromaticContact CE2-CG 3.26Å; F1449-F1510 HydrophobicContact CE2-CG 3.26Å; F1449-F1510 HydrophobicContact CE2-CZ 4.16Å; F1449-F1510 HydrophobicContact CG-CB 4.44Å; F1449-F1510 HydrophobicContact CG-CD1 4.4Å; F1449-F1510 HydrophobicContact CG-CE1 4.45Å; F1449-F1510 HydrophobicContact CZ-CB 4.4Å; F1449-F1510 HydrophobicContact CZ-CD1 4.31Å; F1449-F1510 AromaticContact CZ-CD2 3.28Å; F1449-F1510 HydrophobicContact CZ-CD2 3.28Å; F1449-F1510 HydrophobicContact CZ-CE1 4.45Å; F1449-F1510 AromaticContact CZ-CE2 3.51Å; F1449-F1510 HydrophobicContact CZ-CE2 3.51Å; F1449-F1510 AromaticContact CZ-CG 3.74Å; F1449-F1510 HydrophobicContact CZ-CG 3.74Å; F1449-F1510 HydrophobicContact CZ-CZ 4.09Å; F1449-L1511 HydrophobicContact CD1-CD2 4.4Å; F1449-L1511 HydrophobicContact CD2-CD2 3.71Å; F1449-L1511 HydrophobicContact CD2-CG 4.26Å; F1449-L1511 HydrophobicContact CE1-CD2 4.03Å; F1449-L1511 HydrophobicContact CE2-CD1 4.4Å; F1449-L1511 HydrophobicContact CE2-CD2 3.41Å; F1449-L1511 HydrophobicContact CE2-CG 3.9Å; F1449-L1511 HydrophobicContact CG-CD2 4.38Å; F1449-L1511 HydrophobicContact CZ-CD2 3.32Å; F1449-L1511 HydrophobicContact CZ-CG 4.2Å; F1449-L1517 HydrophobicContact CE1-CD1 4.19Å; F1449-L1517 HydrophobicContact CZ-CD1 4.17Å; F1449-V1544 HydrophobicContact CZ-CG1 4.28Å; F1449-V1544 HydrophobicContact CZ-CG2 4.29Å |
| 1450 | S | 66.5 | Low | 66.2 | Low | 19.4 Ų | 19.4 | 45 Ų | 45 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.7 | -37 | -178.2 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | T1370 P1447 L1452 G1453 H1454 | T1370-S1450 VanDerWaalsContact CB-OG 3.24Å; T1370-S1450 WeakPolarHBondContact CB-OG 3.45Å; T1370-S1450 VanDerWaalsContact OG1-CB 3.31Å; T1370-S1450 WeakPolarHBondContact OG1-CB 3.32Å; T1370-S1450 PolarHBondContact OG1-OG 3.24Å; P1447-S1450 PolarHBondContact O-N 3.04Å; P1447-S1450 VanDerWaalsContact O-N 3.11Å; S1450-L1452 VanDerWaalsContact C-N 3.31Å; S1450-L1452 PolarHBondContact O-N 3.09Å; S1450-G1453 PolarHBondContact O-N 3.26Å; S1450-H1454 PolarHBondContact O-CD2 3.01Å; S1450-H1454 VanDerWaalsContact O-CD2 3.22Å; S1450-H1454 PolarHBondContact O-N 3.2Å; S1450-H1454 VanDerWaalsContact O-N 3.08Å; S1450-H1454 PolarHBondContact OG-CD2 3.23Å; S1450-H1454 PolarHBondContact OG-NE2 3.04Å |
| 1451 | I | 71.4 | Confident | 68.5 | Low | 0.6 Ų | 0.6 | 35.4 Ų | 35.4 | 0% | 0.003 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.1 | -51.9 | 172.8 | -72.9 | 168 | 0 | 0 | 0 | 110.7 | I1335 I1338 T1370 V1373 L1374 W1380 P1447 S1448 F1449 G1453 H1454 I1455 | I1335-I1451 HydrophobicContact CD1-CG2 3.99Å; I1338-I1451 HydrophobicContact CD1-CD1 4Å; I1338-I1451 HydrophobicContact CD1-CG2 4.05Å; I1338-I1451 HydrophobicContact CG2-CD1 3.6Å; I1338-I1451 VanDerWaalsContact CG2-CD1 3.45Å; I1338-I1451 HydrophobicContact CG2-CG1 4.42Å; T1370-I1451 HydrophobicContact CG2-CG1 4.42Å; V1373-I1451 HydrophobicContact CG1-CD1 4.24Å; L1374-I1451 HydrophobicContact CB-CG1 4.35Å; L1374-I1451 HydrophobicContact CD1-CB 4.16Å; L1374-I1451 HydrophobicContact CD1-CD1 4.2Å; L1374-I1451 HydrophobicContact CD1-CG1 4.09Å; L1374-I1451 HydrophobicContact CD1-CG2 3.99Å; L1374-I1451 HydrophobicContact CD2-CG2 3.74Å; L1374-I1451 HydrophobicContact CG-CB 4.24Å; L1374-I1451 HydrophobicContact CG-CG1 4.08Å; L1374-I1451 HydrophobicContact CG-CG2 3.95Å; W1380-I1451 HydrophobicContact CZ3-CG2 4.49Å; P1447-I1451 HydrophobicContact CB-CD1 4.46Å; P1447-I1451 WeakPolarHBondContact O-CD1 3.31Å; P1447-I1451 VanDerWaalsContact O-CG1 3.26Å; P1447-I1451 WeakPolarHBondContact O-CG1 3.25Å; P1447-I1451 PolarHBondContact O-N 2.94Å; P1447-I1451 VanDerWaalsContact O-N 3.08Å; S1448-I1451 WeakPolarHBondContact O-CB 3.47Å; F1449-I1451 VanDerWaalsContact C-N 3.31Å; F1449-I1451 PolarHBondContact O-N 3.36Å; I1451-G1453 VanDerWaalsContact C-N 3.28Å; I1451-G1453 PolarHBondContact O-N 3.13Å; I1451-H1454 PolarHBondContact O-N 3.2Å; I1451-I1455 HydrophobicContact CG2-CD1 4.27Å; I1451-I1455 VanDerWaalsContact O-CD1 3.31Å; I1451-I1455 WeakPolarHBondContact O-CD1 3.24Å; I1451-I1455 PolarHBondContact O-N 2.97Å |
| 1452 | L | 78.5 | Confident | 71.1 | Confident | 2.4 Ų | 2.4 | 26.6 Ų | 26.6 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.2 | -29.4 | -178.2 | -155.5 | 58.8 | 0 | 0 | 0 | 112.5 | I1335 W1380 L1426 N1429 I1430 S1448 F1449 S1450 I1455 G1456 W1507 F1510 | I1335-L1452 HydrophobicContact CD1-CD1 4.36Å; I1335-L1452 HydrophobicContact CD1-CD2 4.27Å; W1380-L1452 HydrophobicContact CH2-CD1 4.08Å; L1426-L1452 HydrophobicContact CD1-CD1 3.35Å; L1426-L1452 VanDerWaalsContact CD1-CD1 3.45Å; L1426-L1452 HydrophobicContact CD1-CD2 4.18Å; L1426-L1452 HydrophobicContact CD1-CG 3.56Å; L1426-L1452 WeakPolarHBondContact CD1-O 3.34Å; L1426-L1452 HydrophobicContact CG-CD1 4.26Å; L1426-L1452 HydrophobicContact CG-CG 4.41Å; N1429-L1452 HydrophobicContact CB-CD1 4.11Å; N1429-L1452 HydrophobicContact CB-CD2 4.32Å; I1430-L1452 HydrophobicContact CB-CD2 4.33Å; I1430-L1452 HydrophobicContact CD1-CD2 4.42Å; I1430-L1452 HydrophobicContact CG1-CD2 3.46Å; I1430-L1452 VanDerWaalsContact CG1-CD2 3.4Å; I1430-L1452 HydrophobicContact CG1-CG 4.26Å; S1448-L1452 WeakPolarHBondContact O-CB 3.21Å; S1448-L1452 PolarHBondContact O-N 3.31Å; S1448-L1452 VanDerWaalsContact O-N 3.14Å; F1449-L1452 CarbonylContact O-C 3.59Å; F1449-L1452 WeakPolarHBondContact O-CA 3.42Å; F1449-L1452 WeakPolarHBondContact O-CB 3.42Å; F1449-L1452 PolarHBondContact O-N 3.19Å; F1449-L1452 VanDerWaalsContact O-N 3.1Å; S1450-L1452 VanDerWaalsContact C-N 3.31Å; S1450-L1452 PolarHBondContact O-N 3.09Å; L1452-I1455 HydrophobicContact CD1-CD1 4.45Å; L1452-I1455 HydrophobicContact CD1-CG2 3.88Å; L1452-I1455 HydrophobicContact CG-CG2 4.44Å; L1452-I1455 WeakPolarHBondContact O-CG2 3.42Å; L1452-I1455 PolarHBondContact O-N 3.17Å; L1452-G1456 PolarHBondContact O-N 3.07Å; L1452-G1456 VanDerWaalsContact O-N 3.16Å; L1452-W1507 HydrophobicContact CB-CH2 4.09Å; L1452-W1507 HydrophobicContact CB-CZ3 4.04Å; L1452-W1507 HydrophobicContact CD2-CZ3 4.09Å; L1452-W1507 HydrophobicContact CG-CZ3 4.04Å; L1452-F1510 HydrophobicContact CD2-CE1 4.46Å |
| 1453 | G | 78.4 | Confident | 73.5 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67 | -37.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1449 S1450 I1451 I1455 G1456 Y1457 | F1449-G1453 PolarHBondContact O-N 3.13Å; F1449-G1453 VanDerWaalsContact O-N 3.09Å; S1450-G1453 PolarHBondContact O-N 3.26Å; I1451-G1453 VanDerWaalsContact C-N 3.28Å; I1451-G1453 PolarHBondContact O-N 3.13Å; G1453-I1455 VanDerWaalsContact C-N 3.3Å; G1453-I1455 PolarHBondContact O-N 3.34Å; G1453-G1456 PolarHBondContact O-N 3.04Å; G1453-Y1457 VanDerWaalsContact O-CB 3.26Å; G1453-Y1457 WeakPolarHBondContact O-CB 3.36Å; G1453-Y1457 PolarHBondContact O-N 3.13Å |
| 1454 | H | 78.5 | Confident | 75.8 | Confident | 27.4 Ų | 27.4 | 19.2 Ų | 19.2 | 13% | 0.127 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65 | -33.5 | 177.6 | -75.2 | -66.9 | 0 | 0 | 0 | 113.1 | T1370 L1374 S1450 I1451 R1458 V1543 | T1370-H1454 PolarHBondContact OG1-NE2 3.08Å; L1374-H1454 HydrophobicContact CD1-CB 3.89Å; L1374-H1454 HydrophobicContact CD2-CB 4.31Å; S1450-H1454 PolarHBondContact O-CD2 3.01Å; S1450-H1454 VanDerWaalsContact O-CD2 3.22Å; S1450-H1454 PolarHBondContact O-N 3.2Å; S1450-H1454 VanDerWaalsContact O-N 3.08Å; S1450-H1454 PolarHBondContact OG-CD2 3.23Å; S1450-H1454 PolarHBondContact OG-NE2 3.04Å; I1451-H1454 PolarHBondContact O-N 3.2Å; H1454-R1458 WeakPolarHBondContact O-CG 3.26Å; H1454-R1458 PolarHBondContact O-N 2.98Å; H1454-R1458 PolarHBondContact O-NH1 3.05Å; H1454-R1458 VanDerWaalsContact O-NH1 3.12Å; H1454-V1543 WeakPolarHBondContact ND1-CG2 3.46Å |
| 1455 | I | 84.5 | Confident | 78 | Confident | 1.6 Ų | 1.6 | 15.7 Ų | 15.7 | 1% | 0.008 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -78.8 | -46.2 | 178.1 | -102.5 | 131.9 | 0 | 0 | 0 | 110.5 | L1374 W1380 S1383 L1384 L1387 L1426 I1451 L1452 G1453 Y1457 R1458 I1459 | L1374-I1455 HydrophobicContact CD1-CD1 4.45Å; L1374-I1455 HydrophobicContact CD2-CD1 4.14Å; L1374-I1455 HydrophobicContact CD2-CG1 4.36Å; W1380-I1455 HydrophobicContact CD2-CD1 4.45Å; W1380-I1455 HydrophobicContact CE3-CD1 3.71Å; W1380-I1455 VanDerWaalsContact CE3-CD1 3.47Å; W1380-I1455 HydrophobicContact CE3-CG1 4.18Å; W1380-I1455 HydrophobicContact CH2-CD1 3.7Å; W1380-I1455 HydrophobicContact CZ3-CB 4.3Å; W1380-I1455 HydrophobicContact CZ3-CD1 3.51Å; W1380-I1455 HydrophobicContact CZ3-CG1 4.19Å; W1380-I1455 HydrophobicContact CZ3-CG2 4.07Å; S1383-I1455 WeakPolarHBondContact OG-CD1 3.48Å; L1384-I1455 HydrophobicContact CD2-CD1 4.28Å; L1384-I1455 HydrophobicContact CD2-CG1 4.24Å; L1387-I1455 HydrophobicContact CD1-CD1 3.25Å; L1387-I1455 HydrophobicContact CD1-CG1 3.97Å; L1387-I1455 HydrophobicContact CD1-CG2 3.97Å; L1387-I1455 HydrophobicContact CG-CD1 4.46Å; L1426-I1455 HydrophobicContact CD1-CB 4.2Å; L1426-I1455 HydrophobicContact CD1-CG2 4Å; I1451-I1455 HydrophobicContact CG2-CD1 4.27Å; I1451-I1455 VanDerWaalsContact O-CD1 3.31Å; I1451-I1455 WeakPolarHBondContact O-CD1 3.24Å; I1451-I1455 PolarHBondContact O-N 2.97Å; L1452-I1455 HydrophobicContact CD1-CD1 4.45Å; L1452-I1455 HydrophobicContact CD1-CG2 3.88Å; L1452-I1455 HydrophobicContact CG-CG2 4.44Å; L1452-I1455 WeakPolarHBondContact O-CG2 3.42Å; L1452-I1455 PolarHBondContact O-N 3.17Å; G1453-I1455 VanDerWaalsContact C-N 3.3Å; G1453-I1455 PolarHBondContact O-N 3.34Å; I1455-Y1457 VanDerWaalsContact C-N 3.3Å; I1455-Y1457 PolarHBondContact O-N 3.01Å; I1455-R1458 PolarHBondContact O-N 3.04Å; I1455-R1458 VanDerWaalsContact O-N 3.12Å; I1455-I1459 HydrophobicContact CG1-CD1 4.17Å; I1455-I1459 HydrophobicContact CG2-CD1 3.88Å; I1455-I1459 HydrophobicContact CG2-CG1 4.48Å; I1455-I1459 WeakPolarHBondContact O-CG1 3.35Å; I1455-I1459 PolarHBondContact O-N 3.07Å |
| 1456 | G | 85.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -58.1 | -39.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1452 G1453 R1458 I1459 T1460 W1546 | L1452-G1456 PolarHBondContact O-N 3.07Å; L1452-G1456 VanDerWaalsContact O-N 3.16Å; G1453-G1456 PolarHBondContact O-N 3.04Å; G1456-R1458 PolarHBondContact O-N 3.48Å; G1456-I1459 PolarHBondContact O-N 3.31Å; G1456-T1460 WeakPolarHBondContact O-CB 3.38Å; G1456-T1460 PolarHBondContact O-N 3.14Å; G1456-T1460 PolarHBondContact O-OG1 3.34Å; G1456-W1546 VanDerWaalsContact C-CE3 3.48Å; G1456-W1546 VanDerWaalsContact CA-CD2 3.45Å; G1456-W1546 VanDerWaalsContact CA-CE3 3.47Å |
| 1457 | Y | 85.2 | Confident | 81.6 | Confident | 40.2 Ų | 40.2 | 11.3 Ų | 11.3 | 16% | 0.158 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -58.8 | -49.8 | 171.9 | 168.9 | -107.3 | 0 | 0 | 0 | 112.8 | G1453 I1455 I1459 T1460 Q1461 F1542 V1543 Y1923 | G1453-Y1457 VanDerWaalsContact O-CB 3.26Å; G1453-Y1457 WeakPolarHBondContact O-CB 3.36Å; G1453-Y1457 PolarHBondContact O-N 3.13Å; I1455-Y1457 VanDerWaalsContact C-N 3.3Å; I1455-Y1457 PolarHBondContact O-N 3.01Å; Y1457-I1459 PolarHBondContact O-N 3.07Å; Y1457-T1460 WeakPolarHBondContact O-CB 3.31Å; Y1457-T1460 PolarHBondContact O-N 3.29Å; Y1457-T1460 VanDerWaalsContact O-N 3.13Å; Y1457-Q1461 HydrophobicContact CD2-CG 4.2Å; Y1457-Q1461 HydrophobicContact CE1-CG 4.28Å; Y1457-Q1461 HydrophobicContact CE2-CG 4.04Å; Y1457-Q1461 VanDerWaalsContact CE2-NE2 3.35Å; Y1457-Q1461 VanDerWaalsContact CZ-CD 3.44Å; Y1457-Q1461 WeakPolarHBondContact O-CG 3.24Å; Y1457-Q1461 PolarHBondContact O-N 3.12Å; Y1457-Q1461 VanDerWaalsContact O-N 3.09Å; Y1457-Q1461 PolarHBondContact OH-NE2 2.78Å; Y1457-F1542 HydrophobicContact CD2-CB 3.79Å; Y1457-F1542 AromaticContact CD2-CD1 3.79Å; Y1457-F1542 HydrophobicContact CD2-CD1 4.23Å; Y1457-F1542 HydrophobicContact CD2-CG 4.27Å; Y1457-F1542 HydrophobicContact CE2-CB 3.64Å; Y1457-F1542 VanDerWaalsContact CE2-CB 3.45Å; Y1457-F1542 AromaticContact CE2-CD1 3.87Å; Y1457-F1542 HydrophobicContact CE2-CD1 3.92Å; Y1457-F1542 AromaticContact CE2-CD2 3.99Å; Y1457-F1542 HydrophobicContact CE2-CD2 4.11Å; Y1457-F1542 AromaticContact CE2-CG 3.72Å; Y1457-F1542 HydrophobicContact CE2-CG 3.93Å; Y1457-V1543 HydrophobicContact CD1-CG2 4.46Å; Y1457-V1543 HydrophobicContact CG-CG2 4.35Å; Y1457-Y1923 VanDerWaalsContact CD2-OH 3.26Å; Y1457-Y1923 WeakPolarHBondContact CD2-OH 3.37Å; Y1457-Y1923 AromaticContact CE2-CE2 3.93Å; Y1457-Y1923 HydrophobicContact CE2-CE2 4.18Å; Y1457-Y1923 AromaticContact CE2-CZ 3.98Å; Y1457-Y1923 WeakPolarHBondContact CE2-OH 3.42Å |
| 1458 | R | 87.4 | Confident | 82.9 | Confident | 16 Ų | 16 | 10.8 Ų | 10.8 | 6% | 0.06 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -63 | -43.5 | -180 | -72.4 | 176.1 | -177.6 | 65.8 | 0.5 | 111.6 | E1371 L1387 D1388 H1454 I1455 G1456 T1460 Q1461 I1462 | E1371-R1458 IonicContact OE1-CZ 3.32Å; E1371-R1458 IonicContact OE1-NH1 2.64Å; E1371-R1458 IonicContact OE1-NH2 3.13Å; E1371-R1458 PolarHBondContact OE1-NH2 3.06Å; L1387-R1458 HydrophobicContact CB-CB 4.33Å; L1387-R1458 HydrophobicContact CD1-CB 4.17Å; D1388-R1458 VanDerWaalsContact OD1-CD 3.31Å; D1388-R1458 WeakPolarHBondContact OD1-CD 3.42Å; D1388-R1458 IonicContact OD1-CZ 2.76Å; D1388-R1458 IonicContact OD1-NE 3.64Å; D1388-R1458 PolarHBondContact OD1-NE 3.07Å; D1388-R1458 VanDerWaalsContact OD1-NE 3.16Å; D1388-R1458 IonicContact OD1-NH1 2.99Å; D1388-R1458 PolarHBondContact OD1-NH1 3.31Å; D1388-R1458 IonicContact OD2-CZ 3.48Å; D1388-R1458 IonicContact OD2-NE 3.07Å; D1388-R1458 PolarHBondContact OD2-NE 3.38Å; D1388-R1458 VanDerWaalsContact OD2-NE 3.07Å; D1388-R1458 IonicContact OD2-NH1 2.85Å; D1388-R1458 PolarHBondContact OD2-NH1 2.88Å; D1388-R1458 IonicContact OD2-NH2 3.18Å; D1388-R1458 PolarHBondContact OD2-NH2 3.34Å; H1454-R1458 WeakPolarHBondContact O-CG 3.26Å; H1454-R1458 PolarHBondContact O-N 2.98Å; H1454-R1458 PolarHBondContact O-NH1 3.05Å; H1454-R1458 VanDerWaalsContact O-NH1 3.12Å; I1455-R1458 PolarHBondContact O-N 3.04Å; I1455-R1458 VanDerWaalsContact O-N 3.12Å; G1456-R1458 PolarHBondContact O-N 3.48Å; R1458-T1460 VanDerWaalsContact C-N 3.3Å; R1458-T1460 PolarHBondContact O-N 3.18Å; R1458-Q1461 WeakPolarHBondContact O-CB 3.36Å; R1458-Q1461 PolarHBondContact O-N 3.23Å; R1458-Q1461 VanDerWaalsContact O-N 3.16Å; R1458-I1462 WeakPolarHBondContact O-CD1 3.37Å; R1458-I1462 VanDerWaalsContact O-CG1 3.27Å; R1458-I1462 WeakPolarHBondContact O-CG1 3.37Å; R1458-I1462 PolarHBondContact O-N 3.23Å; R1458-I1462 VanDerWaalsContact O-N 3.1Å |
| 1459 | I | 90.6 | Very high | 84 | Confident | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -58.4 | -45 | 174.7 | -70.7 | 168.9 | 0 | 0 | 0 | 110.9 | L1387 V1419 Q1422 L1423 L1426 I1455 G1456 Y1457 Q1461 I1462 M1463 L1550 | L1387-I1459 HydrophobicContact CD1-CD1 4.49Å; L1387-I1459 HydrophobicContact CD1-CG1 4.17Å; L1387-I1459 HydrophobicContact CD2-CG1 4.02Å; V1419-I1459 HydrophobicContact CG1-CG2 4.06Å; Q1422-I1459 HydrophobicContact CB-CD1 4.17Å; L1423-I1459 HydrophobicContact CB-CD1 4.39Å; L1423-I1459 HydrophobicContact CD1-CG2 4.43Å; L1426-I1459 HydrophobicContact CB-CD1 4.48Å; L1426-I1459 HydrophobicContact CD2-CD1 3.96Å; I1455-I1459 HydrophobicContact CG1-CD1 4.17Å; I1455-I1459 HydrophobicContact CG2-CD1 3.88Å; I1455-I1459 HydrophobicContact CG2-CG1 4.48Å; I1455-I1459 WeakPolarHBondContact O-CG1 3.35Å; I1455-I1459 PolarHBondContact O-N 3.07Å; G1456-I1459 PolarHBondContact O-N 3.31Å; Y1457-I1459 PolarHBondContact O-N 3.07Å; I1459-Q1461 VanDerWaalsContact C-N 3.33Å; I1459-Q1461 PolarHBondContact O-N 3.14Å; I1459-I1462 PolarHBondContact O-N 3.09Å; I1459-M1463 HydrophobicContact CG2-CG 4.42Å; I1459-M1463 WeakPolarHBondContact O-CB 3.4Å; I1459-M1463 WeakPolarHBondContact O-CG 3.43Å; I1459-M1463 PolarHBondContact O-N 3.3Å; I1459-L1550 HydrophobicContact CG2-CD1 3.94Å; I1459-L1550 HydrophobicContact CG2-CD2 4.46Å |
| 1460 | T | 89 | Confident | 85 | Confident | 0.8 Ų | 0.8 | 9.2 Ų | 9.2 | 1% | 0.005 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -59.7 | -43.5 | 177.5 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | G1456 Y1457 R1458 I1462 M1463 I1464 W1546 H1549 L1550 Y1923 | G1456-T1460 WeakPolarHBondContact O-CB 3.38Å; G1456-T1460 PolarHBondContact O-N 3.14Å; G1456-T1460 PolarHBondContact O-OG1 3.34Å; Y1457-T1460 WeakPolarHBondContact O-CB 3.31Å; Y1457-T1460 PolarHBondContact O-N 3.29Å; Y1457-T1460 VanDerWaalsContact O-N 3.13Å; R1458-T1460 VanDerWaalsContact C-N 3.3Å; R1458-T1460 PolarHBondContact O-N 3.18Å; T1460-I1462 VanDerWaalsContact C-N 3.33Å; T1460-I1462 PolarHBondContact O-N 3.14Å; T1460-M1463 WeakPolarHBondContact O-CB 3.41Å; T1460-M1463 PolarHBondContact O-N 2.96Å; T1460-I1464 HydrophobicContact CG2-CD1 4.06Å; T1460-I1464 VanDerWaalsContact O-CG1 3.31Å; T1460-I1464 WeakPolarHBondContact O-CG1 3.39Å; T1460-I1464 PolarHBondContact O-N 3.01Å; T1460-W1546 PolarHBondContact OG1-O 3.06Å; T1460-H1549 HydrophobicContact CG2-CB 3.54Å; T1460-H1549 VanDerWaalsContact CG2-CB 3.46Å; T1460-L1550 HydrophobicContact CG2-CB 4.44Å; T1460-L1550 WeakPolarHBondContact OG1-CB 3.13Å; T1460-Y1923 HydrophobicContact CG2-CE1 4.13Å |
| 1461 | Q | 88.2 | Confident | 85.6 | Confident | 21.4 Ų | 21.4 | 10.2 Ų | 10.2 | 10% | 0.1 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -62.5 | -42.3 | 176.4 | -67.3 | -103.7 | -42.8 | 0 | 0 | 111.9 | R1391 Y1457 R1458 I1459 M1463 I1464 L1465 Y1923 | R1391-Q1461 HydrophobicContact CG-CB 4.49Å; Y1457-Q1461 HydrophobicContact CD2-CG 4.2Å; Y1457-Q1461 HydrophobicContact CE1-CG 4.28Å; Y1457-Q1461 HydrophobicContact CE2-CG 4.04Å; Y1457-Q1461 VanDerWaalsContact CE2-NE2 3.35Å; Y1457-Q1461 VanDerWaalsContact CZ-CD 3.44Å; Y1457-Q1461 WeakPolarHBondContact O-CG 3.24Å; Y1457-Q1461 PolarHBondContact O-N 3.12Å; Y1457-Q1461 VanDerWaalsContact O-N 3.09Å; Y1457-Q1461 PolarHBondContact OH-NE2 2.78Å; R1458-Q1461 WeakPolarHBondContact O-CB 3.36Å; R1458-Q1461 PolarHBondContact O-N 3.23Å; R1458-Q1461 VanDerWaalsContact O-N 3.16Å; I1459-Q1461 VanDerWaalsContact C-N 3.33Å; I1459-Q1461 PolarHBondContact O-N 3.14Å; Q1461-M1463 VanDerWaalsContact C-N 3.34Å; Q1461-M1463 PolarHBondContact O-N 2.87Å; Q1461-I1464 PolarHBondContact O-N 3.01Å; Q1461-L1465 WeakPolarHBondContact O-CB 3.36Å; Q1461-L1465 VanDerWaalsContact O-CG 3.25Å; Q1461-L1465 WeakPolarHBondContact O-CG 3.32Å; Q1461-L1465 PolarHBondContact O-N 3.17Å; Q1461-L1465 VanDerWaalsContact O-N 3.14Å; Q1461-Y1923 HydrophobicContact CG-CE1 4.49Å; Q1461-Y1923 HydrophobicContact CG-CE2 4.3Å; Q1461-Y1923 WeakPolarHBondContact CG-OH 3.35Å; Q1461-Y1923 VanDerWaalsContact NE2-CE1 3.31Å; Q1461-Y1923 PolarHBondContact NE2-OH 3.29Å; Q1461-Y1923 VanDerWaalsContact NE2-OH 3.15Å; Q1461-Y1923 PolarHBondContact OE1-OH 3.25Å |
| 1462 | I | 92 | Very high | 85.9 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 177.5 | -64.8 | 160.8 | 0 | 0 | 0 | 110.5 | L1387 A1390 R1391 L1394 I1415 V1419 R1458 I1459 T1460 I1464 L1465 L1466 | L1387-I1462 HydrophobicContact CB-CD1 4.04Å; L1387-I1462 HydrophobicContact CD2-CD1 3.62Å; L1387-I1462 HydrophobicContact CG-CD1 4.39Å; L1387-I1462 WeakPolarHBondContact O-CD1 3.28Å; A1390-I1462 HydrophobicContact CB-CD1 4.1Å; A1390-I1462 HydrophobicContact CB-CG1 4.44Å; R1391-I1462 HydrophobicContact CB-CD1 4.44Å; R1391-I1462 HydrophobicContact CB-CG1 4.23Å; R1391-I1462 HydrophobicContact CG-CD1 3.92Å; R1391-I1462 HydrophobicContact CG-CG1 3.67Å; L1394-I1462 HydrophobicContact CD1-CB 4.48Å; L1394-I1462 HydrophobicContact CD1-CG2 3.71Å; L1394-I1462 WeakPolarHBondContact CD1-O 3.17Å; I1415-I1462 HydrophobicContact CG2-CG2 4.08Å; V1419-I1462 HydrophobicContact CG1-CG2 4.47Å; V1419-I1462 HydrophobicContact CG2-CB 4.23Å; V1419-I1462 HydrophobicContact CG2-CD1 4.14Å; V1419-I1462 HydrophobicContact CG2-CG2 3.41Å; V1419-I1462 VanDerWaalsContact CG2-CG2 3.48Å; R1458-I1462 WeakPolarHBondContact O-CD1 3.37Å; R1458-I1462 VanDerWaalsContact O-CG1 3.27Å; R1458-I1462 WeakPolarHBondContact O-CG1 3.37Å; R1458-I1462 PolarHBondContact O-N 3.23Å; R1458-I1462 VanDerWaalsContact O-N 3.1Å; I1459-I1462 PolarHBondContact O-N 3.09Å; T1460-I1462 VanDerWaalsContact C-N 3.33Å; T1460-I1462 PolarHBondContact O-N 3.14Å; I1462-I1464 PolarHBondContact O-N 3.21Å; I1462-L1465 CarbonylContact O-C 3.57Å; I1462-L1465 PolarHBondContact O-N 3.24Å; I1462-L1466 VanDerWaalsContact O-CB 3.22Å; I1462-L1466 WeakPolarHBondContact O-CB 3.37Å; I1462-L1466 PolarHBondContact O-N 2.99Å |
| 1463 | M | 91.1 | Very high | 85.8 | Confident | 1.2 Ų | 1.2 | 15.3 Ų | 15.3 | 1% | 0.006 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.4 | -46.8 | 174.9 | -73.3 | -68.4 | -41.1 | 0 | 0 | 112.1 | V1419 I1459 T1460 Q1461 L1465 L1466 V1467 L1488 I1492 L1550 S1553 L1557 | V1419-M1463 HydrophobicContact CG1-CE 3.73Å; V1419-M1463 HydrophobicContact CG1-SD 4.29Å; I1459-M1463 HydrophobicContact CG2-CG 4.42Å; I1459-M1463 WeakPolarHBondContact O-CB 3.4Å; I1459-M1463 WeakPolarHBondContact O-CG 3.43Å; I1459-M1463 PolarHBondContact O-N 3.3Å; T1460-M1463 WeakPolarHBondContact O-CB 3.41Å; T1460-M1463 PolarHBondContact O-N 2.96Å; Q1461-M1463 VanDerWaalsContact C-N 3.34Å; Q1461-M1463 PolarHBondContact O-N 2.87Å; M1463-L1465 VanDerWaalsContact C-N 3.33Å; M1463-L1465 PolarHBondContact O-N 3.25Å; M1463-L1466 HydrophobicContact CE-CD2 3.71Å; M1463-L1466 WeakPolarHBondContact O-CB 3.24Å; M1463-L1466 PolarHBondContact O-N 3.26Å; M1463-L1466 VanDerWaalsContact O-N 3.14Å; M1463-L1466 HydrophobicContact SD-CD2 4.48Å; M1463-V1467 WeakPolarHBondContact O-CG2 3.29Å; M1463-V1467 PolarHBondContact O-N 3.23Å; M1463-L1488 HydrophobicContact CE-CD1 4.09Å; M1463-L1488 HydrophobicContact CE-CD2 3.39Å; M1463-L1488 VanDerWaalsContact CE-CD2 3.48Å; M1463-L1488 HydrophobicContact CE-CG 3.96Å; M1463-L1488 HydrophobicContact SD-CD1 4.21Å; M1463-L1488 HydrophobicContact SD-CD2 3.94Å; M1463-L1488 HydrophobicContact SD-CG 3.97Å; M1463-I1492 HydrophobicContact CE-CD1 4.27Å; M1463-L1550 HydrophobicContact CB-CD1 4.4Å; M1463-L1550 HydrophobicContact CG-CD1 3.88Å; M1463-S1553 WeakPolarHBondContact CB-OG 3.25Å; M1463-L1557 HydrophobicContact CE-CB 4.13Å; M1463-L1557 HydrophobicContact CE-CD2 3.91Å; M1463-L1557 VanDerWaalsContact CE-CD2 3.45Å; M1463-L1557 HydrophobicContact CE-CG 4.31Å; M1463-L1557 HydrophobicContact SD-CD2 4.13Å |
| 1464 | I | 89.4 | Confident | 85.5 | Confident | 29.4 Ų | 29.4 | 18.8 Ų | 18.8 | 15% | 0.151 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.3 | -42.6 | 177.2 | -66.8 | 166.5 | 0 | 0 | 0 | 111.2 | T1460 Q1461 I1462 L1466 V1467 N1468 S1553 Y1923 F1926 | T1460-I1464 HydrophobicContact CG2-CD1 4.06Å; T1460-I1464 VanDerWaalsContact O-CG1 3.31Å; T1460-I1464 WeakPolarHBondContact O-CG1 3.39Å; T1460-I1464 PolarHBondContact O-N 3.01Å; Q1461-I1464 PolarHBondContact O-N 3.01Å; I1462-I1464 PolarHBondContact O-N 3.21Å; I1464-L1466 VanDerWaalsContact C-N 3.31Å; I1464-L1466 PolarHBondContact O-N 3.27Å; I1464-V1467 WeakPolarHBondContact O-CB 3.46Å; I1464-V1467 PolarHBondContact O-N 3.14Å; I1464-N1468 PolarHBondContact O-N 3.06Å; I1464-N1468 VanDerWaalsContact O-N 3.08Å; I1464-N1468 PolarHBondContact O-ND2 3.23Å; I1464-S1553 WeakPolarHBondContact CG1-OG 3.49Å; I1464-Y1923 HydrophobicContact CD1-CD1 3.61Å; I1464-Y1923 HydrophobicContact CD1-CE1 3.87Å; I1464-Y1923 HydrophobicContact CD1-CG 4.27Å; I1464-F1926 HydrophobicContact CB-CE2 4.48Å; I1464-F1926 HydrophobicContact CG2-CE2 3.89Å; I1464-F1926 HydrophobicContact CG2-CZ 4.49Å; I1464-F1926 VanDerWaalsContact O-CE2 3.29Å; I1464-F1926 WeakPolarHBondContact O-CE2 3.47Å; I1464-F1926 WeakPolarHBondContact O-CZ 3.35Å |
| 1465 | L | 89.4 | Confident | 85.3 | Confident | 8.4 Ų | 8.4 | 22.3 Ų | 22.3 | 4% | 0.044 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.9 | -34.9 | 176.3 | -68.8 | 176.2 | 0 | 0 | 0 | 112.4 | R1301 R1391 L1394 N1395 Q1461 I1462 M1463 N1468 L1469 | R1301-L1465 VanDerWaalsContact CZ-CD2 3.5Å; R1391-L1465 HydrophobicContact CG-CD1 4.02Å; L1394-L1465 HydrophobicContact CB-CB 3.93Å; L1394-L1465 HydrophobicContact CB-CD1 3.98Å; L1394-L1465 HydrophobicContact CB-CG 4.48Å; L1394-L1465 HydrophobicContact CD1-CB 3.72Å; L1394-L1465 HydrophobicContact CD1-CD1 4.46Å; L1394-L1465 HydrophobicContact CG-CB 4.4Å; N1395-L1465 VanDerWaalsContact OD1-CD1 3.26Å; N1395-L1465 WeakPolarHBondContact OD1-CD1 3.36Å; Q1461-L1465 WeakPolarHBondContact O-CB 3.36Å; Q1461-L1465 VanDerWaalsContact O-CG 3.25Å; Q1461-L1465 WeakPolarHBondContact O-CG 3.32Å; Q1461-L1465 PolarHBondContact O-N 3.17Å; Q1461-L1465 VanDerWaalsContact O-N 3.14Å; I1462-L1465 CarbonylContact O-C 3.57Å; I1462-L1465 PolarHBondContact O-N 3.24Å; M1463-L1465 VanDerWaalsContact C-N 3.33Å; M1463-L1465 PolarHBondContact O-N 3.25Å; L1465-N1468 CarbonylContact O-C 3.39Å; L1465-N1468 WeakPolarHBondContact O-CB 3.46Å; L1465-N1468 PolarHBondContact O-N 3.15Å; L1465-L1469 PolarHBondContact O-N 3.07Å |
| 1466 | L | 91.4 | Very high | 85.1 | Confident | 0.2 Ų | 0.2 | 28.1 Ų | 28.1 | 0% | 0.001 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.1 | -38.6 | 176.7 | -169.4 | 60.3 | 0 | 0 | 0 | 111.8 | L1394 I1412 V1416 I1462 M1463 I1464 N1468 L1469 M1470 L1485 L1488 L1557 | L1394-L1466 HydrophobicContact CD1-CB 4.4Å; I1412-L1466 HydrophobicContact CG2-CD1 4.32Å; V1416-L1466 HydrophobicContact CG2-CD2 4.33Å; I1462-L1466 VanDerWaalsContact O-CB 3.22Å; I1462-L1466 WeakPolarHBondContact O-CB 3.37Å; I1462-L1466 PolarHBondContact O-N 2.99Å; M1463-L1466 HydrophobicContact CE-CD2 3.71Å; M1463-L1466 WeakPolarHBondContact O-CB 3.24Å; M1463-L1466 PolarHBondContact O-N 3.26Å; M1463-L1466 VanDerWaalsContact O-N 3.14Å; M1463-L1466 HydrophobicContact SD-CD2 4.48Å; I1464-L1466 VanDerWaalsContact C-N 3.31Å; I1464-L1466 PolarHBondContact O-N 3.27Å; L1466-N1468 VanDerWaalsContact C-N 3.3Å; L1466-N1468 PolarHBondContact O-N 3.14Å; L1466-L1469 HydrophobicContact CD1-CD2 4.22Å; L1466-L1469 WeakPolarHBondContact O-CB 3.3Å; L1466-L1469 PolarHBondContact O-N 3.28Å; L1466-M1470 HydrophobicContact CD1-CE 4.23Å; L1466-M1470 WeakPolarHBondContact O-CG 3.36Å; L1466-M1470 PolarHBondContact O-N 3.1Å; L1466-M1470 VanDerWaalsContact O-N 3.11Å; L1466-L1485 HydrophobicContact CD1-CD1 4.31Å; L1466-L1485 HydrophobicContact CD1-CD2 3.91Å; L1466-L1485 HydrophobicContact CD2-CD1 3.42Å; L1466-L1485 VanDerWaalsContact CD2-CD1 3.42Å; L1466-L1485 HydrophobicContact CD2-CD2 3.61Å; L1466-L1485 HydrophobicContact CG-CD1 3.8Å; L1466-L1485 HydrophobicContact CG-CD2 3.97Å; L1466-L1488 HydrophobicContact CD2-CD2 4Å; L1466-L1557 HydrophobicContact CD2-CD1 4.33Å; L1466-L1557 HydrophobicContact CD2-CD2 3.96Å; L1466-L1557 HydrophobicContact CG-CD1 4.17Å |
| 1467 | V | 89.2 | Confident | 85.1 | Confident | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.024 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.1 | -44 | 169.6 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | M1463 I1464 L1469 M1470 R1471 S1553 A1556 L1557 A1560 F1926 | M1463-V1467 WeakPolarHBondContact O-CG2 3.29Å; M1463-V1467 PolarHBondContact O-N 3.23Å; I1464-V1467 WeakPolarHBondContact O-CB 3.46Å; I1464-V1467 PolarHBondContact O-N 3.14Å; V1467-L1469 VanDerWaalsContact C-N 3.34Å; V1467-L1469 PolarHBondContact O-N 3.06Å; V1467-M1470 PolarHBondContact O-N 3.31Å; V1467-R1471 HydrophobicContact CG1-CG 4.36Å; V1467-R1471 WeakPolarHBondContact O-CB 3.31Å; V1467-R1471 WeakPolarHBondContact O-CD 3.39Å; V1467-R1471 WeakPolarHBondContact O-CG 3.33Å; V1467-R1471 PolarHBondContact O-N 3.04Å; V1467-R1471 VanDerWaalsContact O-N 3.11Å; V1467-S1553 WeakPolarHBondContact CG2-O 3.28Å; V1467-A1556 HydrophobicContact CG1-CB 4.18Å; V1467-A1556 HydrophobicContact CG2-CB 4.07Å; V1467-L1557 HydrophobicContact CG2-CB 3.77Å; V1467-L1557 HydrophobicContact CG2-CD1 4.23Å; V1467-A1560 HydrophobicContact CG1-CB 4.32Å; V1467-F1926 HydrophobicContact CB-CD2 3.71Å; V1467-F1926 HydrophobicContact CB-CE1 4.4Å; V1467-F1926 HydrophobicContact CB-CE2 3.47Å; V1467-F1926 VanDerWaalsContact CB-CE2 3.47Å; V1467-F1926 HydrophobicContact CB-CG 4.27Å; V1467-F1926 HydrophobicContact CB-CZ 3.81Å; V1467-F1926 HydrophobicContact CG1-CB 3.86Å; V1467-F1926 HydrophobicContact CG1-CD1 3.89Å; V1467-F1926 HydrophobicContact CG1-CD2 3.77Å; V1467-F1926 VanDerWaalsContact CG1-CD2 3.41Å; V1467-F1926 HydrophobicContact CG1-CE1 3.91Å; V1467-F1926 HydrophobicContact CG1-CE2 3.6Å; V1467-F1926 HydrophobicContact CG1-CG 3.66Å; V1467-F1926 VanDerWaalsContact CG1-CG 3.46Å; V1467-F1926 HydrophobicContact CG1-CZ 3.81Å; V1467-F1926 HydrophobicContact CG2-CD2 4.33Å; V1467-F1926 HydrophobicContact CG2-CE2 4.34Å |
| 1468 | N | 86.2 | Confident | 85.4 | Confident | 18.8 Ų | 18.8 | 29.7 Ų | 29.7 | 10% | 0.101 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.2 | -39.3 | 176.7 | -74.7 | -30.9 | 0 | 0 | 0 | 112.1 | V1398 I1464 L1465 L1466 M1470 R1471 L1472 F1926 | V1398-N1468 HydrophobicContact CG1-CB 3.84Å; I1464-N1468 PolarHBondContact O-N 3.06Å; I1464-N1468 VanDerWaalsContact O-N 3.08Å; I1464-N1468 PolarHBondContact O-ND2 3.23Å; L1465-N1468 CarbonylContact O-C 3.39Å; L1465-N1468 WeakPolarHBondContact O-CB 3.46Å; L1465-N1468 PolarHBondContact O-N 3.15Å; L1466-N1468 VanDerWaalsContact C-N 3.3Å; L1466-N1468 PolarHBondContact O-N 3.14Å; N1468-M1470 PolarHBondContact O-N 3.49Å; N1468-R1471 WeakPolarHBondContact O-CB 3.34Å; N1468-R1471 PolarHBondContact O-N 3.19Å; N1468-R1471 PolarHBondContact OD1-NH1 3.41Å; N1468-L1472 WeakPolarHBondContact O-CB 3.3Å; N1468-L1472 VanDerWaalsContact O-CG 3.28Å; N1468-L1472 WeakPolarHBondContact O-CG 3.31Å; N1468-L1472 PolarHBondContact O-N 3.26Å; N1468-L1472 VanDerWaalsContact O-N 3.09Å; N1468-F1926 HydrophobicContact CB-CZ 4.07Å; N1468-F1926 WeakPolarHBondContact OD1-CE1 3.49Å; N1468-F1926 WeakPolarHBondContact OD1-CZ 3.39Å |
| 1469 | L | 87.4 | Confident | 85.5 | Confident | 0.4 Ų | 0.4 | 33.8 Ų | 33.8 | 0% | 0.002 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.5 | -49.4 | 175 | -177.1 | 61.4 | 0 | 0 | 0 | 111.5 | L1394 I1397 V1398 L1407 I1412 L1465 L1466 V1467 R1471 L1472 Q1473 F1477 | L1394-L1469 HydrophobicContact CD2-CD2 3.92Å; I1397-L1469 HydrophobicContact CB-CD1 4.39Å; I1397-L1469 HydrophobicContact CG2-CD1 3.61Å; I1397-L1469 HydrophobicContact CG2-CD2 4.48Å; V1398-L1469 HydrophobicContact CG2-CB 3.84Å; V1398-L1469 HydrophobicContact CG2-CD1 4.11Å; V1398-L1469 HydrophobicContact CG2-CG 4.48Å; L1407-L1469 HydrophobicContact CD1-CD1 4Å; I1412-L1469 HydrophobicContact CD1-CD2 3.95Å; I1412-L1469 HydrophobicContact CG1-CD2 4.21Å; I1412-L1469 HydrophobicContact CG2-CD2 4.41Å; L1465-L1469 PolarHBondContact O-N 3.07Å; L1466-L1469 HydrophobicContact CD1-CD2 4.22Å; L1466-L1469 WeakPolarHBondContact O-CB 3.3Å; L1466-L1469 PolarHBondContact O-N 3.28Å; V1467-L1469 VanDerWaalsContact C-N 3.34Å; V1467-L1469 PolarHBondContact O-N 3.06Å; L1469-R1471 VanDerWaalsContact C-N 3.29Å; L1469-R1471 PolarHBondContact O-N 3.09Å; L1469-L1472 PolarHBondContact O-N 3.06Å; L1469-Q1473 HydrophobicContact CD1-CG 4.42Å; L1469-Q1473 PolarHBondContact O-N 3.23Å; L1469-Q1473 VanDerWaalsContact O-N 3.11Å; L1469-F1477 HydrophobicContact CD1-CZ 4.49Å; L1469-F1477 HydrophobicContact CD2-CZ 4.43Å; L1469-F1477 HydrophobicContact CG-CZ 4.23Å |
| 1470 | M | 85.7 | Confident | 85.5 | Confident | 0.2 Ų | 0.2 | 38.3 Ų | 38.3 | 0% | 0.001 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.2 | -47 | 176.5 | -65.5 | -55.5 | 102.8 | 0 | 0 | 110.6 | L1466 V1467 N1468 L1472 Q1473 F1477 L1485 L1557 A1560 L1561 Q1564 | L1466-M1470 HydrophobicContact CD1-CE 4.23Å; L1466-M1470 WeakPolarHBondContact O-CG 3.36Å; L1466-M1470 PolarHBondContact O-N 3.1Å; L1466-M1470 VanDerWaalsContact O-N 3.11Å; V1467-M1470 PolarHBondContact O-N 3.31Å; N1468-M1470 PolarHBondContact O-N 3.49Å; M1470-L1472 VanDerWaalsContact C-N 3.3Å; M1470-L1472 PolarHBondContact O-N 3.09Å; M1470-Q1473 CarbonylContact O-C 3.55Å; M1470-Q1473 PolarHBondContact O-N 3.01Å; M1470-Q1473 VanDerWaalsContact O-N 3.08Å; M1470-F1477 HydrophobicContact CE-CD2 3.66Å; M1470-F1477 HydrophobicContact CE-CE2 3.17Å; M1470-F1477 HydrophobicContact CE-CZ 3.74Å; M1470-F1477 HydrophobicContact SD-CD2 3.76Å; M1470-F1477 HydrophobicContact SD-CE2 3.68Å; M1470-F1477 VanDerWaalsContact SD-CE2 3.58Å; M1470-L1485 HydrophobicContact CE-CD1 3.87Å; M1470-L1485 HydrophobicContact CE-CD2 3.75Å; M1470-L1485 HydrophobicContact CG-CD2 3.83Å; M1470-L1485 HydrophobicContact SD-CD1 3.72Å; M1470-L1485 HydrophobicContact SD-CD2 3.42Å; M1470-L1485 WeakPolarHBondContact SD-CD2 3.32Å; M1470-L1557 HydrophobicContact CG-CD1 3.96Å; M1470-A1560 HydrophobicContact CB-CB 4.37Å; M1470-L1561 HydrophobicContact CG-CD2 4.27Å; M1470-L1561 HydrophobicContact SD-CD2 3.95Å; M1470-Q1564 VanDerWaalsContact O-CD 3.31Å; M1470-Q1564 PolarHBondContact O-NE2 3.22Å; M1470-Q1564 PolarHBondContact O-OE1 3.15Å; M1470-Q1564 VanDerWaalsContact O-OE1 3.05Å |
| 1471 | R | 79.3 | Confident | 85.6 | Confident | 40.6 Ų | 40.6 | 38.2 Ų | 38.2 | 15% | 0.153 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.7 | -40.2 | -178.9 | -133.3 | 179.5 | 83.3 | 167.2 | -5 | 113.5 | L963 V1467 N1468 L1469 Q1473 A1560 F1926 N1990 S1991 | L963-R1471 PolarHBondContact O-NH1 3.32Å; L963-R1471 PolarHBondContact O-NH2 3.47Å; V1467-R1471 HydrophobicContact CG1-CG 4.36Å; V1467-R1471 WeakPolarHBondContact O-CB 3.31Å; V1467-R1471 WeakPolarHBondContact O-CD 3.39Å; V1467-R1471 WeakPolarHBondContact O-CG 3.33Å; V1467-R1471 PolarHBondContact O-N 3.04Å; V1467-R1471 VanDerWaalsContact O-N 3.11Å; N1468-R1471 WeakPolarHBondContact O-CB 3.34Å; N1468-R1471 PolarHBondContact O-N 3.19Å; N1468-R1471 PolarHBondContact OD1-NH1 3.41Å; L1469-R1471 VanDerWaalsContact C-N 3.29Å; L1469-R1471 PolarHBondContact O-N 3.09Å; R1471-Q1473 VanDerWaalsContact C-N 3.28Å; R1471-A1560 HydrophobicContact CG-CB 4.43Å; R1471-F1926 VanDerWaalsContact CD-CE2 3.5Å; R1471-F1926 HydrophobicContact CG-CD2 4.17Å; R1471-F1926 HydrophobicContact CG-CE2 4.13Å; R1471-F1926 HydrophobicContact CG-CZ 4.4Å; R1471-F1926 VanDerWaalsContact NE-CD2 3.33Å; R1471-N1990 PolarHBondContact NH2-ND2 2.91Å; R1471-S1991 VanDerWaalsContact CZ-OG 3.26Å; R1471-S1991 PolarHBondContact NH1-OG 3.11Å; R1471-S1991 VanDerWaalsContact NH2-CB 3.25Å; R1471-S1991 PolarHBondContact NH2-OG 3.2Å |
| 1472 | L | 77.5 | Confident | 85.8 | Confident | 71.2 Ų | 71.2 | 37.2 Ų | 37.2 | 37% | 0.373 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -77.5 | -19.7 | -178.1 | -68.6 | 173 | 0 | 0 | 0 | 113.3 | V1398 N1468 L1469 M1470 P1474 | V1398-L1472 HydrophobicContact CG1-CD1 3.9Å; N1468-L1472 WeakPolarHBondContact O-CB 3.3Å; N1468-L1472 VanDerWaalsContact O-CG 3.28Å; N1468-L1472 WeakPolarHBondContact O-CG 3.31Å; N1468-L1472 PolarHBondContact O-N 3.26Å; N1468-L1472 VanDerWaalsContact O-N 3.09Å; L1469-L1472 PolarHBondContact O-N 3.06Å; M1470-L1472 VanDerWaalsContact C-N 3.3Å; M1470-L1472 PolarHBondContact O-N 3.09Å; L1472-P1474 VanDerWaalsContact C-CD 3.49Å; L1472-P1474 WeakPolarHBondContact O-CD 3.45Å |
| 1473 | Q | 76.8 | Confident | 85.8 | Confident | 40.4 Ų | 40.4 | 40.6 Ų | 40.6 | 19% | 0.189 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -131.4 | 66 | -172.8 | -61.3 | -140.2 | -15.3 | 0 | 0 | 111.8 | L1407 L1469 M1470 R1471 N1475 F1477 | L1407-Q1473 HydrophobicContact CD1-CG 4.43Å; L1407-Q1473 HydrophobicContact CD2-CB 4.36Å; L1407-Q1473 HydrophobicContact CD2-CG 4.05Å; L1469-Q1473 HydrophobicContact CD1-CG 4.42Å; L1469-Q1473 PolarHBondContact O-N 3.23Å; L1469-Q1473 VanDerWaalsContact O-N 3.11Å; M1470-Q1473 CarbonylContact O-C 3.55Å; M1470-Q1473 PolarHBondContact O-N 3.01Å; M1470-Q1473 VanDerWaalsContact O-N 3.08Å; R1471-Q1473 VanDerWaalsContact C-N 3.28Å; Q1473-N1475 PolarHBondContact O-N 3.18Å; Q1473-F1477 HydrophobicContact CB-CE2 4.33Å; Q1473-F1477 HydrophobicContact CB-CZ 4.21Å |
| 1474 | P | 71.8 | Confident | 85.8 | Confident | 72.6 Ų | 72.6 | 42.9 Ų | 42.9 | 47% | 0.471 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 136.6 | -177.1 | 26.6 | -34.8 | 0 | 0 | 0 | 112.4 | L1472 R1476 Q1564 | L1472-P1474 VanDerWaalsContact C-CD 3.49Å; L1472-P1474 WeakPolarHBondContact O-CD 3.45Å; P1474-R1476 VanDerWaalsContact C-N 3.31Å; P1474-R1476 PolarHBondContact O-N 2.92Å; P1474-R1476 VanDerWaalsContact O-N 3.12Å; P1474-Q1564 HydrophobicContact CB-CG 4.33Å |
| 1475 | N | 74.6 | Confident | 85.9 | Confident | 101.6 Ų | 101.6 | 41.5 Ų | 41.5 | 54% | 0.543 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 31.2 | 169.8 | -61.1 | -8.2 | 0 | 0 | 0 | 115.7 | Q1473 Q1564 | Q1473-N1475 PolarHBondContact O-N 3.18Å; N1475-Q1564 PolarHBondContact ND2-O 3.23Å; N1475-Q1564 VanDerWaalsContact OD1-C 3.27Å; N1475-Q1564 WeakPolarHBondContact OD1-CB 3.41Å; N1475-Q1564 PolarHBondContact OD1-O 3.16Å; N1475-Q1564 VanDerWaalsContact OD1-O 3.04Å |
| 1476 | R | 79.7 | Confident | 86.1 | Confident | 122.2 Ų | 122.2 | 41.4 Ų | 41.4 | 46% | 0.461 | 21% | 0.213 | S | C | . | . | trans | -100.8 | -29.5 | -178.9 | -104.3 | -174 | 180 | -150.2 | -2.9 | 115 | R1404 L1407 P1474 Y1565 | R1404-R1476 PolarHBondContact O-NH1 3.07Å; R1404-R1476 PolarHBondContact O-NH2 3.28Å; L1407-R1476 HydrophobicContact CD2-CG 4.25Å; L1407-R1476 VanDerWaalsContact CD2-NH1 3.29Å; P1474-R1476 VanDerWaalsContact C-N 3.31Å; P1474-R1476 PolarHBondContact O-N 2.92Å; P1474-R1476 VanDerWaalsContact O-N 3.12Å; R1476-Y1565 PolarHBondContact N-OH 3.03Å | ||
| 1477 | F | 86.3 | Confident | 86.1 | Confident | 9.6 Ų | 9.6 | 43.2 Ų | 43.2 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -77.3 | 146.6 | -175.8 | -53.8 | -62 | 0 | 0 | 0 | 113.4 | L1407 E1409 I1412 L1469 M1470 Q1473 L1481 V1482 Y1565 | L1407-F1477 HydrophobicContact CD1-CE1 3.97Å; L1407-F1477 HydrophobicContact CD1-CZ 4.2Å; L1407-F1477 HydrophobicContact CD2-CD1 4.48Å; L1407-F1477 HydrophobicContact CD2-CE1 3.84Å; L1407-F1477 HydrophobicContact CD2-CZ 4.23Å; L1407-F1477 HydrophobicContact CG-CE1 4.02Å; L1407-F1477 HydrophobicContact CG-CZ 4.43Å; E1409-F1477 VanDerWaalsContact OE1-CA 3.25Å; E1409-F1477 WeakPolarHBondContact OE1-CA 3.37Å; I1412-F1477 HydrophobicContact CD1-CD1 3.9Å; I1412-F1477 HydrophobicContact CD1-CE1 3.24Å; I1412-F1477 HydrophobicContact CD1-CZ 3.96Å; L1469-F1477 HydrophobicContact CD1-CZ 4.49Å; L1469-F1477 HydrophobicContact CD2-CZ 4.43Å; L1469-F1477 HydrophobicContact CG-CZ 4.23Å; M1470-F1477 HydrophobicContact CE-CD2 3.66Å; M1470-F1477 HydrophobicContact CE-CE2 3.17Å; M1470-F1477 HydrophobicContact CE-CZ 3.74Å; M1470-F1477 HydrophobicContact SD-CD2 3.76Å; M1470-F1477 HydrophobicContact SD-CE2 3.68Å; M1470-F1477 VanDerWaalsContact SD-CE2 3.58Å; Q1473-F1477 HydrophobicContact CB-CE2 4.33Å; Q1473-F1477 HydrophobicContact CB-CZ 4.21Å; F1477-L1481 HydrophobicContact CB-CB 4.34Å; F1477-L1481 HydrophobicContact CB-CD2 3.84Å; F1477-L1481 VanDerWaalsContact CB-CD2 3.49Å; F1477-L1481 HydrophobicContact CB-CG 4.31Å; F1477-L1481 HydrophobicContact CD1-CD2 3.58Å; F1477-L1481 VanDerWaalsContact CD1-CD2 3.42Å; F1477-L1481 HydrophobicContact CD2-CD2 4.25Å; F1477-L1481 HydrophobicContact CE1-CD2 4.4Å; F1477-L1481 HydrophobicContact CG-CD2 3.84Å; F1477-L1481 VanDerWaalsContact CG-CD2 3.42Å; F1477-V1482 HydrophobicContact CB-CG2 4.25Å; F1477-Y1565 WeakPolarHBondContact CA-OH 3.33Å; F1477-Y1565 VanDerWaalsContact CB-OH 3.3Å; F1477-Y1565 WeakPolarHBondContact CB-OH 3.46Å; F1477-Y1565 WeakPolarHBondContact CD2-OH 3.39Å; F1477-Y1565 PolarHBondContact N-OH 3.13Å; F1477-Y1565 PolarHBondContact O-OH 3.15Å |
| 1478 | T | 89.6 | Confident | 86.3 | Confident | 65.6 Ų | 65.6 | 43 Ų | 43 | 40% | 0.402 | 22% | 0.224 | S | C | . | . | trans | -62.7 | 154.8 | 172.9 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | E1409 N1480 L1481 V1482 | E1409-T1478 WeakPolarHBondContact OE1-CG2 3.4Å; E1409-T1478 PolarHBondContact OE1-N 3.1Å; E1409-T1478 PolarHBondContact OE1-OG1 2.94Å; E1409-T1478 VanDerWaalsContact OE2-CB 3.29Å; E1409-T1478 WeakPolarHBondContact OE2-CB 3.28Å; E1409-T1478 WeakPolarHBondContact OE2-CG2 3.39Å; E1409-T1478 PolarHBondContact OE2-OG1 3.16Å; T1478-N1480 VanDerWaalsContact C-N 3.27Å; T1478-N1480 PolarHBondContact O-N 3.1Å; T1478-L1481 PolarHBondContact O-N 3.15Å; T1478-L1481 VanDerWaalsContact O-N 3.13Å; T1478-V1482 WeakPolarHBondContact O-CG2 3.32Å; T1478-V1482 PolarHBondContact O-N 3.07Å; T1478-V1482 VanDerWaalsContact O-N 3.07Å | ||
| 1479 | D | 90.4 | Very high | 86.5 | Confident | 100.2 Ų | 100.2 | 42.1 Ų | 42.1 | 54% | 0.536 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55.9 | -38.3 | -179.3 | -67.4 | -23.2 | 0 | 0 | 0 | 112.9 | V1482 I1483 H1568 | D1479-V1482 PolarHBondContact O-N 2.99Å; D1479-I1483 WeakPolarHBondContact O-CD1 3.36Å; D1479-I1483 VanDerWaalsContact O-CG1 3.23Å; D1479-I1483 WeakPolarHBondContact O-CG1 3.38Å; D1479-I1483 PolarHBondContact O-N 3.07Å; D1479-H1568 VanDerWaalsContact CG-CE1 3.44Å; D1479-H1568 IonicContact OD1-CD2 3.25Å; D1479-H1568 IonicContact OD1-CE1 3.23Å; D1479-H1568 PolarHBondContact OD1-CE1 3.34Å; D1479-H1568 IonicContact OD1-NE2 3.25Å; D1479-H1568 PolarHBondContact OD1-NE2 2.99Å; D1479-H1568 IonicContact OD2-CE1 3.83Å |
| 1480 | N | 90.9 | Very high | 86.6 | Confident | 94.6 Ų | 94.6 | 42.4 Ų | 42.4 | 51% | 0.506 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.6 | -46.2 | 178.1 | -136.2 | 20.9 | 0 | 0 | 0 | 111.8 | E1413 T1478 V1482 I1483 N1484 | E1413-N1480 PolarHBondContact OE1-ND2 3.04Å; T1478-N1480 VanDerWaalsContact C-N 3.27Å; T1478-N1480 PolarHBondContact O-N 3.1Å; N1480-V1482 VanDerWaalsContact C-N 3.32Å; N1480-V1482 PolarHBondContact O-N 3.29Å; N1480-I1483 WeakPolarHBondContact O-CB 3.43Å; N1480-I1483 PolarHBondContact O-N 2.98Å; N1480-N1484 WeakPolarHBondContact O-CB 3.35Å; N1480-N1484 PolarHBondContact O-N 2.98Å; N1480-N1484 PolarHBondContact O-ND2 3.28Å |
| 1481 | L | 90.5 | Very high | 86.7 | Confident | 0.6 Ų | 0.6 | 43.2 Ų | 43.2 | 0% | 0.003 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.1 | -39.6 | 177 | -179.3 | 60.2 | 0 | 0 | 0 | 111 | E1409 I1412 E1413 V1416 F1477 T1478 I1483 N1484 L1485 | E1409-L1481 HydrophobicContact CB-CD2 4.3Å; E1409-L1481 HydrophobicContact CG-CD2 4.36Å; I1412-L1481 HydrophobicContact CB-CD1 4.28Å; I1412-L1481 HydrophobicContact CB-CD2 4.01Å; I1412-L1481 HydrophobicContact CD1-CD2 4.29Å; I1412-L1481 HydrophobicContact CG2-CD1 3.95Å; I1412-L1481 HydrophobicContact CG2-CD2 3.96Å; I1412-L1481 HydrophobicContact CG2-CG 4.43Å; E1413-L1481 HydrophobicContact CB-CD1 4.06Å; E1413-L1481 HydrophobicContact CG-CB 4.3Å; E1413-L1481 HydrophobicContact CG-CD1 4.11Å; E1413-L1481 HydrophobicContact CG-CG 4.42Å; V1416-L1481 HydrophobicContact CG2-CD1 4.38Å; F1477-L1481 HydrophobicContact CB-CB 4.34Å; F1477-L1481 HydrophobicContact CB-CD2 3.84Å; F1477-L1481 VanDerWaalsContact CB-CD2 3.49Å; F1477-L1481 HydrophobicContact CB-CG 4.31Å; F1477-L1481 HydrophobicContact CD1-CD2 3.58Å; F1477-L1481 VanDerWaalsContact CD1-CD2 3.42Å; F1477-L1481 HydrophobicContact CD2-CD2 4.25Å; F1477-L1481 HydrophobicContact CE1-CD2 4.4Å; F1477-L1481 HydrophobicContact CG-CD2 3.84Å; F1477-L1481 VanDerWaalsContact CG-CD2 3.42Å; T1478-L1481 PolarHBondContact O-N 3.15Å; T1478-L1481 VanDerWaalsContact O-N 3.13Å; L1481-I1483 VanDerWaalsContact C-N 3.33Å; L1481-I1483 PolarHBondContact O-N 3.14Å; L1481-N1484 PolarHBondContact O-N 3.27Å; L1481-L1485 HydrophobicContact CD1-CD1 4.1Å; L1481-L1485 HydrophobicContact CD1-CD2 4.5Å; L1481-L1485 HydrophobicContact CD1-CG 4.12Å; L1481-L1485 HydrophobicContact CD2-CD1 3.97Å; L1481-L1485 HydrophobicContact CG-CD1 3.92Å; L1481-L1485 HydrophobicContact CG-CG 4.41Å; L1481-L1485 VanDerWaalsContact O-CB 3.28Å; L1481-L1485 WeakPolarHBondContact O-CB 3.36Å; L1481-L1485 WeakPolarHBondContact O-CD1 3.29Å; L1481-L1485 WeakPolarHBondContact O-CG 3.24Å; L1481-L1485 PolarHBondContact O-N 2.99Å |
| 1482 | V | 91.7 | Very high | 87.1 | Confident | 0.2 Ų | 0.2 | 41.4 Ų | 41.4 | 0% | 0.001 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.8 | -38.8 | 175.9 | 177 | 0 | 0 | 0 | 0 | 112 | F1477 T1478 D1479 N1480 L1485 T1486 L1561 Y1565 H1568 | F1477-V1482 HydrophobicContact CB-CG2 4.25Å; T1478-V1482 WeakPolarHBondContact O-CG2 3.32Å; T1478-V1482 PolarHBondContact O-N 3.07Å; T1478-V1482 VanDerWaalsContact O-N 3.07Å; D1479-V1482 PolarHBondContact O-N 2.99Å; N1480-V1482 VanDerWaalsContact C-N 3.32Å; N1480-V1482 PolarHBondContact O-N 3.29Å; V1482-L1485 PolarHBondContact O-N 3.08Å; V1482-T1486 VanDerWaalsContact O-CB 3.27Å; V1482-T1486 WeakPolarHBondContact O-CB 3.33Å; V1482-T1486 PolarHBondContact O-N 3.05Å; V1482-T1486 PolarHBondContact O-OG1 3.24Å; V1482-L1561 HydrophobicContact CG1-CD2 4.23Å; V1482-Y1565 HydrophobicContact CG1-CD1 4.25Å; V1482-Y1565 HydrophobicContact CG1-CD2 4.29Å; V1482-Y1565 HydrophobicContact CG1-CG 4Å; V1482-Y1565 HydrophobicContact CG2-CD1 3.68Å; V1482-Y1565 HydrophobicContact CG2-CD2 4.17Å; V1482-Y1565 HydrophobicContact CG2-CE1 3.41Å; V1482-Y1565 VanDerWaalsContact CG2-CE1 3.46Å; V1482-Y1565 HydrophobicContact CG2-CE2 3.95Å; V1482-Y1565 HydrophobicContact CG2-CG 4.05Å; V1482-H1568 HydrophobicContact CG1-CB 4.17Å; V1482-H1568 WeakPolarHBondContact CG1-CD2 3.38Å |
| 1483 | I | 92.4 | Very high | 87.4 | Confident | 71.4 Ų | 71.4 | 38.3 Ų | 38.3 | 37% | 0.366 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.5 | -47.1 | 173.7 | -68.2 | 161.4 | 0 | 0 | 0 | 110.4 | D1479 N1480 L1481 L1485 T1486 S1487 M1571 | D1479-I1483 WeakPolarHBondContact O-CD1 3.36Å; D1479-I1483 VanDerWaalsContact O-CG1 3.23Å; D1479-I1483 WeakPolarHBondContact O-CG1 3.38Å; D1479-I1483 PolarHBondContact O-N 3.07Å; N1480-I1483 WeakPolarHBondContact O-CB 3.43Å; N1480-I1483 PolarHBondContact O-N 2.98Å; L1481-I1483 VanDerWaalsContact C-N 3.33Å; L1481-I1483 PolarHBondContact O-N 3.14Å; I1483-L1485 VanDerWaalsContact C-N 3.32Å; I1483-L1485 PolarHBondContact O-N 3.18Å; I1483-T1486 WeakPolarHBondContact O-CB 3.39Å; I1483-T1486 PolarHBondContact O-N 3.23Å; I1483-S1487 PolarHBondContact O-N 3.16Å; I1483-M1571 HydrophobicContact CB-CE 4.49Å; I1483-M1571 HydrophobicContact CD1-CE 3.98Å; I1483-M1571 HydrophobicContact CD1-SD 4.35Å; I1483-M1571 HydrophobicContact CG1-CE 3.77Å; I1483-M1571 HydrophobicContact CG1-SD 3.77Å |
| 1484 | N | 91.5 | Very high | 87.7 | Confident | 49 Ų | 49 | 38.1 Ų | 38.1 | 26% | 0.262 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 178.1 | -75 | -27.2 | 0 | 0 | 0 | 111.7 | E1413 V1416 N1480 L1481 T1486 S1487 L1488 | E1413-N1484 PolarHBondContact OE1-ND2 3.19Å; E1413-N1484 VanDerWaalsContact OE1-ND2 3.13Å; V1416-N1484 HydrophobicContact CG1-CB 4.09Å; N1480-N1484 WeakPolarHBondContact O-CB 3.35Å; N1480-N1484 PolarHBondContact O-N 2.98Å; N1480-N1484 PolarHBondContact O-ND2 3.28Å; L1481-N1484 PolarHBondContact O-N 3.27Å; N1484-T1486 VanDerWaalsContact C-N 3.35Å; N1484-T1486 PolarHBondContact O-N 3.04Å; N1484-S1487 WeakPolarHBondContact O-CB 3.31Å; N1484-S1487 PolarHBondContact O-N 3.29Å; N1484-S1487 PolarHBondContact O-OG 3.05Å; N1484-L1488 PolarHBondContact O-N 3.1Å; N1484-L1488 VanDerWaalsContact O-N 3.12Å |
| 1485 | L | 92.7 | Very high | 88.2 | Confident | 0.2 Ų | 0.2 | 35.9 Ų | 35.9 | 0% | 0.001 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.6 | -39 | 175.4 | -88.1 | 152 | 0 | 0 | 0 | 112.5 | V1416 L1466 M1470 L1481 V1482 I1483 S1487 L1488 G1489 L1557 L1561 | V1416-L1485 HydrophobicContact CG2-CD1 3.82Å; V1416-L1485 HydrophobicContact CG2-CD2 3.43Å; V1416-L1485 VanDerWaalsContact CG2-CD2 3.43Å; V1416-L1485 HydrophobicContact CG2-CG 4.1Å; L1466-L1485 HydrophobicContact CD1-CD1 4.31Å; L1466-L1485 HydrophobicContact CD1-CD2 3.91Å; L1466-L1485 HydrophobicContact CD2-CD1 3.42Å; L1466-L1485 VanDerWaalsContact CD2-CD1 3.42Å; L1466-L1485 HydrophobicContact CD2-CD2 3.61Å; L1466-L1485 HydrophobicContact CG-CD1 3.8Å; L1466-L1485 HydrophobicContact CG-CD2 3.97Å; M1470-L1485 HydrophobicContact CE-CD1 3.87Å; M1470-L1485 HydrophobicContact CE-CD2 3.75Å; M1470-L1485 HydrophobicContact CG-CD2 3.83Å; M1470-L1485 HydrophobicContact SD-CD1 3.72Å; M1470-L1485 HydrophobicContact SD-CD2 3.42Å; M1470-L1485 WeakPolarHBondContact SD-CD2 3.32Å; L1481-L1485 HydrophobicContact CD1-CD1 4.1Å; L1481-L1485 HydrophobicContact CD1-CD2 4.5Å; L1481-L1485 HydrophobicContact CD1-CG 4.12Å; L1481-L1485 HydrophobicContact CD2-CD1 3.97Å; L1481-L1485 HydrophobicContact CG-CD1 3.92Å; L1481-L1485 HydrophobicContact CG-CG 4.41Å; L1481-L1485 VanDerWaalsContact O-CB 3.28Å; L1481-L1485 WeakPolarHBondContact O-CB 3.36Å; L1481-L1485 WeakPolarHBondContact O-CD1 3.29Å; L1481-L1485 WeakPolarHBondContact O-CG 3.24Å; L1481-L1485 PolarHBondContact O-N 2.99Å; V1482-L1485 PolarHBondContact O-N 3.08Å; I1483-L1485 VanDerWaalsContact C-N 3.32Å; I1483-L1485 PolarHBondContact O-N 3.18Å; L1485-S1487 VanDerWaalsContact C-N 3.34Å; L1485-L1488 HydrophobicContact CD1-CD2 4.34Å; L1485-L1488 PolarHBondContact O-N 3.18Å; L1485-G1489 PolarHBondContact O-N 3.13Å; L1485-L1557 HydrophobicContact CD1-CD1 4.15Å; L1485-L1557 HydrophobicContact CD1-CD2 3.82Å; L1485-L1557 HydrophobicContact CD1-CG 4.41Å; L1485-L1557 HydrophobicContact CD2-CD1 4.13Å; L1485-L1557 HydrophobicContact CG-CD1 4.15Å; L1485-L1557 HydrophobicContact CG-CD2 4.28Å; L1485-L1557 HydrophobicContact CG-CG 4.42Å; L1485-L1561 HydrophobicContact CB-CD1 3.91Å; L1485-L1561 HydrophobicContact CB-CD2 4.04Å; L1485-L1561 HydrophobicContact CD1-CD2 4.18Å; L1485-L1561 HydrophobicContact CD2-CD1 4.43Å; L1485-L1561 HydrophobicContact CD2-CD2 4.12Å; L1485-L1561 HydrophobicContact CD2-CG 4.5Å; L1485-L1561 HydrophobicContact CG-CD1 4.05Å |
| 1486 | T | 92.5 | Very high | 88.4 | Confident | 6.2 Ų | 6.2 | 31.3 Ų | 31.3 | 4% | 0.038 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.9 | -44.1 | 173.1 | -62 | 0 | 0 | 0 | 0 | 110.5 | V1482 I1483 N1484 L1488 G1489 M1490 L1558 M1571 I1572 | V1482-T1486 VanDerWaalsContact O-CB 3.27Å; V1482-T1486 WeakPolarHBondContact O-CB 3.33Å; V1482-T1486 PolarHBondContact O-N 3.05Å; V1482-T1486 PolarHBondContact O-OG1 3.24Å; I1483-T1486 WeakPolarHBondContact O-CB 3.39Å; I1483-T1486 PolarHBondContact O-N 3.23Å; N1484-T1486 VanDerWaalsContact C-N 3.35Å; N1484-T1486 PolarHBondContact O-N 3.04Å; T1486-L1488 VanDerWaalsContact C-N 3.29Å; T1486-L1488 PolarHBondContact O-N 2.98Å; T1486-G1489 PolarHBondContact O-N 3.03Å; T1486-M1490 HydrophobicContact CG2-CG 4.37Å; T1486-M1490 VanDerWaalsContact O-CB 3.31Å; T1486-M1490 WeakPolarHBondContact O-CB 3.44Å; T1486-M1490 WeakPolarHBondContact O-CG 3.36Å; T1486-M1490 PolarHBondContact O-N 3.15Å; T1486-L1558 HydrophobicContact CG2-CD1 4.28Å; T1486-L1558 HydrophobicContact CG2-CD2 4.38Å; T1486-M1571 HydrophobicContact CG2-CE 4.43Å; T1486-I1572 HydrophobicContact CG2-CB 4.47Å; T1486-I1572 HydrophobicContact CG2-CG1 3.75Å; T1486-I1572 HydrophobicContact CG2-CG2 4.47Å |
| 1487 | S | 91.8 | Very high | 88.3 | Confident | 37 Ų | 37 | 26.5 Ų | 26.5 | 26% | 0.259 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -62 | -37.6 | 177.7 | 83.8 | 0 | 0 | 0 | 0 | 112.2 | K1420 I1483 N1484 L1485 M1490 A1491 | K1420-S1487 PolarHBondContact NZ-OG 3.15Å; I1483-S1487 PolarHBondContact O-N 3.16Å; N1484-S1487 WeakPolarHBondContact O-CB 3.31Å; N1484-S1487 PolarHBondContact O-N 3.29Å; N1484-S1487 PolarHBondContact O-OG 3.05Å; L1485-S1487 VanDerWaalsContact C-N 3.34Å; S1487-M1490 PolarHBondContact O-N 3.25Å; S1487-A1491 PolarHBondContact O-N 3.32Å; S1487-A1491 VanDerWaalsContact O-N 3.15Å |
| 1488 | L | 92.4 | Very high | 87.7 | Confident | 0.6 Ų | 0.6 | 28.9 Ų | 28.9 | 0% | 0.003 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69 | -45.9 | 175.7 | 178.3 | 56.7 | 0 | 0 | 0 | 111.7 | V1416 V1419 K1420 L1423 M1463 L1466 N1484 L1485 T1486 M1490 A1491 L1557 | V1416-L1488 HydrophobicContact CB-CD2 4.31Å; V1416-L1488 HydrophobicContact CG1-CB 4.39Å; V1416-L1488 HydrophobicContact CG1-CD2 4.06Å; V1416-L1488 HydrophobicContact CG2-CD2 4.31Å; V1419-L1488 HydrophobicContact CB-CD1 4.48Å; V1419-L1488 HydrophobicContact CB-CD2 4.37Å; V1419-L1488 HydrophobicContact CG1-CD1 4.06Å; V1419-L1488 HydrophobicContact CG1-CD2 4.21Å; K1420-L1488 HydrophobicContact CB-CD1 4.23Å; L1423-L1488 HydrophobicContact CD2-CD1 4.09Å; M1463-L1488 HydrophobicContact CE-CD1 4.09Å; M1463-L1488 HydrophobicContact CE-CD2 3.39Å; M1463-L1488 VanDerWaalsContact CE-CD2 3.48Å; M1463-L1488 HydrophobicContact CE-CG 3.96Å; M1463-L1488 HydrophobicContact SD-CD1 4.21Å; M1463-L1488 HydrophobicContact SD-CD2 3.94Å; M1463-L1488 HydrophobicContact SD-CG 3.97Å; L1466-L1488 HydrophobicContact CD2-CD2 4Å; N1484-L1488 PolarHBondContact O-N 3.1Å; N1484-L1488 VanDerWaalsContact O-N 3.12Å; L1485-L1488 HydrophobicContact CD1-CD2 4.34Å; L1485-L1488 PolarHBondContact O-N 3.18Å; T1486-L1488 VanDerWaalsContact C-N 3.29Å; T1486-L1488 PolarHBondContact O-N 2.98Å; L1488-M1490 VanDerWaalsContact C-N 3.26Å; L1488-M1490 PolarHBondContact O-N 3.19Å; L1488-A1491 WeakPolarHBondContact O-CB 3.35Å; L1488-A1491 PolarHBondContact O-N 3.12Å; L1488-A1491 VanDerWaalsContact O-N 3.11Å; L1488-L1557 HydrophobicContact CD2-CD2 4.47Å; L1488-L1557 HydrophobicContact CG-CD2 4.45Å |
| 1489 | G | 90.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.9 | -30.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1485 T1486 P1493 S1554 L1558 | L1485-G1489 PolarHBondContact O-N 3.13Å; T1486-G1489 PolarHBondContact O-N 3.03Å; G1489-P1493 VanDerWaalsContact O-CD 3.27Å; G1489-P1493 WeakPolarHBondContact O-CD 3.35Å; G1489-P1493 WeakPolarHBondContact O-CG 3.28Å; G1489-S1554 PolarHBondContact O-OG 3.26Å; G1489-L1558 VanDerWaalsContact O-CD1 3.27Å; G1489-L1558 WeakPolarHBondContact O-CD1 3.35Å |
| 1490 | M | 89.9 | Confident | 85.5 | Confident | 5.4 Ų | 5.4 | 23.3 Ų | 23.3 | 3% | 0.027 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -81.5 | -16.4 | 176.9 | -78.4 | -60.6 | -63.8 | 0 | 0 | 114.4 | T1486 S1487 L1488 I1492 P1493 S1494 L1558 E1575 I1576 T1579 | T1486-M1490 HydrophobicContact CG2-CG 4.37Å; T1486-M1490 VanDerWaalsContact O-CB 3.31Å; T1486-M1490 WeakPolarHBondContact O-CB 3.44Å; T1486-M1490 WeakPolarHBondContact O-CG 3.36Å; T1486-M1490 PolarHBondContact O-N 3.15Å; S1487-M1490 PolarHBondContact O-N 3.25Å; L1488-M1490 VanDerWaalsContact C-N 3.26Å; L1488-M1490 PolarHBondContact O-N 3.19Å; M1490-I1492 PolarHBondContact O-N 3.33Å; M1490-P1493 WeakPolarHBondContact O-CD 3.42Å; M1490-S1494 WeakPolarHBondContact O-CA 3.39Å; M1490-S1494 WeakPolarHBondContact O-CB 3.3Å; M1490-S1494 PolarHBondContact O-N 3.2Å; M1490-L1558 HydrophobicContact CG-CD1 4.2Å; M1490-L1558 HydrophobicContact CG-CD2 4.03Å; M1490-L1558 HydrophobicContact SD-CD1 3.9Å; M1490-L1558 VanDerWaalsContact SD-CD1 3.57Å; M1490-L1558 HydrophobicContact SD-CD2 3.83Å; M1490-L1558 WeakPolarHBondContact SD-CD2 3.27Å; M1490-E1575 HydrophobicContact CE-CG 4.45Å; M1490-E1575 HydrophobicContact CG-CG 4.31Å; M1490-I1576 HydrophobicContact CE-CB 4.4Å; M1490-I1576 HydrophobicContact CE-CG1 3.74Å; M1490-I1576 HydrophobicContact SD-CD1 4.45Å; M1490-I1576 HydrophobicContact SD-CG1 3.65Å; M1490-I1576 VanDerWaalsContact SD-CG1 3.53Å; M1490-T1579 HydrophobicContact CE-CG2 4.2Å |
| 1491 | A | 88 | Confident | 84.4 | Confident | 18.4 Ų | 18.4 | 20.2 Ų | 20.2 | 15% | 0.152 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.1 | -48.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1423 S1487 L1488 S1494 Y1495 | L1423-A1491 HydrophobicContact CD2-CB 3.8Å; S1487-A1491 PolarHBondContact O-N 3.32Å; S1487-A1491 VanDerWaalsContact O-N 3.15Å; L1488-A1491 WeakPolarHBondContact O-CB 3.35Å; L1488-A1491 PolarHBondContact O-N 3.12Å; L1488-A1491 VanDerWaalsContact O-N 3.11Å; A1491-S1494 WeakPolarHBondContact O-CB 3.18Å; A1491-S1494 PolarHBondContact O-N 3.26Å; A1491-Y1495 WeakPolarHBondContact O-CB 3.2Å; A1491-Y1495 PolarHBondContact O-N 3.2Å |
| 1492 | I | 87.2 | Confident | 83.5 | Confident | 3.2 Ų | 3.2 | 20.2 Ų | 20.2 | 2% | 0.016 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -72.8 | -45.3 | -179.9 | -64.6 | -87.6 | 0 | 0 | 0 | 112.8 | L1423 I1427 M1463 M1490 S1494 Y1495 S1496 I1503 L1550 Q1551 | L1423-I1492 HydrophobicContact CD1-CD1 4.1Å; L1423-I1492 HydrophobicContact CD1-CG1 4.11Å; L1423-I1492 HydrophobicContact CD2-CD1 4.07Å; L1423-I1492 HydrophobicContact CD2-CG1 4.26Å; I1427-I1492 HydrophobicContact CD1-CD1 4.17Å; M1463-I1492 HydrophobicContact CE-CD1 4.27Å; M1490-I1492 PolarHBondContact O-N 3.33Å; I1492-S1494 VanDerWaalsContact C-N 3.3Å; I1492-S1494 PolarHBondContact O-N 3.04Å; I1492-Y1495 WeakPolarHBondContact O-CB 3.35Å; I1492-Y1495 PolarHBondContact O-N 3.04Å; I1492-S1496 WeakPolarHBondContact O-CB 3.33Å; I1492-S1496 PolarHBondContact O-N 3.17Å; I1492-S1496 PolarHBondContact O-OG 3.08Å; I1492-I1503 HydrophobicContact CD1-CD1 4.02Å; I1492-I1503 HydrophobicContact CG2-CD1 4.37Å; I1492-L1550 HydrophobicContact CD1-CD1 3.8Å; I1492-L1550 HydrophobicContact CD1-CD2 3.9Å; I1492-L1550 HydrophobicContact CD1-CG 4.11Å; I1492-L1550 HydrophobicContact CG1-CD2 4.12Å; I1492-L1550 HydrophobicContact CG1-CG 4.16Å; I1492-Q1551 HydrophobicContact CG2-CB 4.47Å; I1492-Q1551 HydrophobicContact CG2-CG 3.69Å |
| 1493 | P | 84.7 | Confident | 82.4 | Confident | 6 Ų | 6 | 20.3 Ų | 20.3 | 4% | 0.039 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.5 | -40 | 170.2 | -27 | 34.4 | 0 | 0 | 0 | 113 | G1489 M1490 S1496 L1497 S1554 L1555 L1558 F1613 L1654 | G1489-P1493 VanDerWaalsContact O-CD 3.27Å; G1489-P1493 WeakPolarHBondContact O-CD 3.35Å; G1489-P1493 WeakPolarHBondContact O-CG 3.28Å; M1490-P1493 WeakPolarHBondContact O-CD 3.42Å; P1493-S1496 PolarHBondContact O-N 3.27Å; P1493-L1497 WeakPolarHBondContact O-CB 3.36Å; P1493-L1497 VanDerWaalsContact O-CG 3.26Å; P1493-L1497 WeakPolarHBondContact O-CG 3.29Å; P1493-L1497 PolarHBondContact O-N 3.15Å; P1493-S1554 WeakPolarHBondContact CD-OG 3.4Å; P1493-L1555 HydrophobicContact CG-CD2 4.24Å; P1493-L1558 HydrophobicContact CG-CD1 4.07Å; P1493-F1613 HydrophobicContact CG-CZ 4.42Å; P1493-L1654 HydrophobicContact CB-CD1 4.08Å; P1493-L1654 HydrophobicContact CB-CD2 4.07Å; P1493-L1654 HydrophobicContact CB-CG 4.35Å; P1493-L1654 HydrophobicContact CG-CD2 4.13Å |
| 1494 | S | 82.8 | Confident | 81.3 | Confident | 35.8 Ų | 35.8 | 17.1 Ų | 17.1 | 25% | 0.25 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -61.7 | -48.9 | 177.5 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | M1490 A1491 I1492 S1496 L1497 T1498 T1579 | M1490-S1494 WeakPolarHBondContact O-CA 3.39Å; M1490-S1494 WeakPolarHBondContact O-CB 3.3Å; M1490-S1494 PolarHBondContact O-N 3.2Å; A1491-S1494 WeakPolarHBondContact O-CB 3.18Å; A1491-S1494 PolarHBondContact O-N 3.26Å; I1492-S1494 VanDerWaalsContact C-N 3.3Å; I1492-S1494 PolarHBondContact O-N 3.04Å; S1494-S1496 VanDerWaalsContact C-N 3.3Å; S1494-S1496 PolarHBondContact O-N 3.17Å; S1494-L1497 PolarHBondContact O-N 3.12Å; S1494-L1497 VanDerWaalsContact O-N 3.13Å; S1494-T1498 VanDerWaalsContact O-CB 3.23Å; S1494-T1498 WeakPolarHBondContact O-CB 3.43Å; S1494-T1498 VanDerWaalsContact O-CG2 3.31Å; S1494-T1498 WeakPolarHBondContact O-CG2 3.15Å; S1494-T1498 PolarHBondContact O-N 3.08Å; S1494-T1498 PolarHBondContact O-OG1 3.25Å; S1494-T1579 VanDerWaalsContact OG-CG2 3.27Å; S1494-T1579 WeakPolarHBondContact OG-CG2 3.41Å |
| 1495 | Y | 80.8 | Confident | 80 | Confident | 26.8 Ų | 26.8 | 17.7 Ų | 17.7 | 11% | 0.105 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -55.5 | -46.3 | 172.5 | 177.7 | -100.4 | 0 | 0 | 0 | 111.7 | I1427 M1431 A1491 I1492 L1497 T1498 S1499 T1501 I1503 E1506 | I1427-Y1495 HydrophobicContact CD1-CG 4.49Å; I1427-Y1495 HydrophobicContact CG2-CD2 3.61Å; I1427-Y1495 VanDerWaalsContact CG2-CD2 3.45Å; I1427-Y1495 HydrophobicContact CG2-CE2 3.71Å; I1427-Y1495 HydrophobicContact CG2-CG 4.31Å; M1431-Y1495 HydrophobicContact CG-CE2 4.2Å; M1431-Y1495 WeakPolarHBondContact CG-OH 3.33Å; M1431-Y1495 HydrophobicContact SD-CE2 3.75Å; A1491-Y1495 WeakPolarHBondContact O-CB 3.2Å; A1491-Y1495 PolarHBondContact O-N 3.2Å; I1492-Y1495 WeakPolarHBondContact O-CB 3.35Å; I1492-Y1495 PolarHBondContact O-N 3.04Å; Y1495-L1497 VanDerWaalsContact C-N 3.31Å; Y1495-L1497 PolarHBondContact O-N 3.23Å; Y1495-T1498 PolarHBondContact O-N 3.07Å; Y1495-T1498 PolarHBondContact O-OG1 3.14Å; Y1495-S1499 WeakPolarHBondContact CD2-OG 3.31Å; Y1495-S1499 VanDerWaalsContact CE2-OG 3.31Å; Y1495-S1499 WeakPolarHBondContact CE2-OG 3.41Å; Y1495-S1499 VanDerWaalsContact O-CB 3.26Å; Y1495-S1499 WeakPolarHBondContact O-CB 3.35Å; Y1495-S1499 PolarHBondContact O-N 2.95Å; Y1495-S1499 VanDerWaalsContact O-N 3.09Å; Y1495-S1499 PolarHBondContact O-OG 3.24Å; Y1495-S1499 VanDerWaalsContact O-OG 3.06Å; Y1495-T1501 PolarHBondContact OH-OG1 3.21Å; Y1495-I1503 HydrophobicContact CD1-CB 4.45Å; Y1495-I1503 HydrophobicContact CD1-CD1 3.85Å; Y1495-I1503 HydrophobicContact CD1-CG1 3.8Å; Y1495-I1503 HydrophobicContact CE1-CB 4.34Å; Y1495-I1503 HydrophobicContact CE1-CD1 4.16Å; Y1495-I1503 HydrophobicContact CE1-CG1 3.67Å; Y1495-E1506 PolarHBondContact OH-OE1 2.7Å; Y1495-E1506 VanDerWaalsContact OH-OE1 3.07Å; Y1495-E1506 PolarHBondContact OH-OE2 3.34Å |
| 1496 | S | 80 | Confident | 78.6 | Confident | 4.8 Ų | 4.8 | 18.7 Ų | 18.7 | 3% | 0.034 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.7 | -33 | -177.6 | -53.6 | 0 | 0 | 0 | 0 | 113.2 | I1492 P1493 S1494 G1500 T1501 Q1551 | I1492-S1496 WeakPolarHBondContact O-CB 3.33Å; I1492-S1496 PolarHBondContact O-N 3.17Å; I1492-S1496 PolarHBondContact O-OG 3.08Å; P1493-S1496 PolarHBondContact O-N 3.27Å; S1494-S1496 VanDerWaalsContact C-N 3.3Å; S1494-S1496 PolarHBondContact O-N 3.17Å; S1496-G1500 WeakPolarHBondContact O-CA 3.47Å; S1496-G1500 PolarHBondContact O-N 3.28Å; S1496-T1501 WeakPolarHBondContact CA-O 3.2Å; S1496-Q1551 PolarHBondContact OG-NE2 2.99Å |
| 1497 | L | 77.5 | Confident | 77.3 | Confident | 20.2 Ų | 20.2 | 18.8 Ų | 18.8 | 11% | 0.106 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -79.1 | -38.3 | 176.7 | -72 | 170 | 0 | 0 | 0 | 112.4 | P1493 S1494 Y1495 T1579 F1580 A1650 L1651 L1654 | P1493-L1497 WeakPolarHBondContact O-CB 3.36Å; P1493-L1497 VanDerWaalsContact O-CG 3.26Å; P1493-L1497 WeakPolarHBondContact O-CG 3.29Å; P1493-L1497 PolarHBondContact O-N 3.15Å; S1494-L1497 PolarHBondContact O-N 3.12Å; S1494-L1497 VanDerWaalsContact O-N 3.13Å; Y1495-L1497 VanDerWaalsContact C-N 3.31Å; Y1495-L1497 PolarHBondContact O-N 3.23Å; L1497-T1579 HydrophobicContact CB-CG2 4.48Å; L1497-T1579 HydrophobicContact CD1-CG2 4.41Å; L1497-F1580 HydrophobicContact CD2-CD2 4.38Å; L1497-A1650 HydrophobicContact CD2-CB 3.86Å; L1497-A1650 HydrophobicContact CG-CB 4.07Å; L1497-L1651 HydrophobicContact CD2-CB 4.23Å; L1497-L1654 HydrophobicContact CD1-CD1 4Å |
| 1498 | T | 73.3 | Confident | 75.9 | Confident | 61.4 Ų | 61.4 | 19 Ų | 19 | 38% | 0.377 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -81.2 | -39.9 | -175.6 | -16 | 0 | 0 | 0 | 0 | 112.4 | S1494 Y1495 T1579 V1586 | S1494-T1498 VanDerWaalsContact O-CB 3.23Å; S1494-T1498 WeakPolarHBondContact O-CB 3.43Å; S1494-T1498 VanDerWaalsContact O-CG2 3.31Å; S1494-T1498 WeakPolarHBondContact O-CG2 3.15Å; S1494-T1498 PolarHBondContact O-N 3.08Å; S1494-T1498 PolarHBondContact O-OG1 3.25Å; Y1495-T1498 PolarHBondContact O-N 3.07Å; Y1495-T1498 PolarHBondContact O-OG1 3.14Å; T1498-T1579 HydrophobicContact CG2-CG2 4.16Å; T1498-V1586 HydrophobicContact CG2-CG2 3.73Å |
| 1499 | S | 66.5 | Low | 74.3 | Confident | 33.4 Ų | 33.4 | 26.7 Ų | 26.7 | 23% | 0.234 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -82.4 | -24 | -178 | -12.2 | 0 | 0 | 0 | 0 | 113.1 | Y1495 T1501 | Y1495-S1499 WeakPolarHBondContact CD2-OG 3.31Å; Y1495-S1499 VanDerWaalsContact CE2-OG 3.31Å; Y1495-S1499 WeakPolarHBondContact CE2-OG 3.41Å; Y1495-S1499 VanDerWaalsContact O-CB 3.26Å; Y1495-S1499 WeakPolarHBondContact O-CB 3.35Å; Y1495-S1499 PolarHBondContact O-N 2.95Å; Y1495-S1499 VanDerWaalsContact O-N 3.09Å; Y1495-S1499 PolarHBondContact O-OG 3.24Å; Y1495-S1499 VanDerWaalsContact O-OG 3.06Å; S1499-T1501 VanDerWaalsContact CB-OG1 3.28Å; S1499-T1501 WeakPolarHBondContact CB-OG1 3.3Å; S1499-T1501 PolarHBondContact O-N 3.16Å; S1499-T1501 PolarHBondContact OG-N 2.87Å; S1499-T1501 PolarHBondContact OG-O 3.32Å; S1499-T1501 PolarHBondContact OG-OG1 3.08Å |
| 1500 | G | 66.7 | Low | 72.6 | Confident | 14.2 Ų | 14.2 | 28.5 Ų | 28.5 | 15% | 0.146 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 65.6 | 11.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1496 R1607 A1610 T1612 | S1496-G1500 WeakPolarHBondContact O-CA 3.47Å; S1496-G1500 PolarHBondContact O-N 3.28Å; G1500-R1607 VanDerWaalsContact CA-O 3.23Å; G1500-R1607 WeakPolarHBondContact CA-O 3.36Å; G1500-A1610 WeakPolarHBondContact O-CB 3.39Å; G1500-T1612 VanDerWaalsContact C-CG2 3.45Å; G1500-T1612 WeakPolarHBondContact O-CG2 3.4Å |
| 1501 | T | 68.1 | Low | 71 | Confident | 28.6 Ų | 28.6 | 29.7 Ų | 29.7 | 18% | 0.175 | 16% | 0.155 | C | C | . | . | trans | -114.6 | 144.1 | 179.5 | 57.5 | 0 | 0 | 0 | 0 | 109.6 | Y1495 S1496 S1499 I1503 E1506 T1612 | Y1495-T1501 PolarHBondContact OH-OG1 3.21Å; S1496-T1501 WeakPolarHBondContact CA-O 3.2Å; S1499-T1501 VanDerWaalsContact CB-OG1 3.28Å; S1499-T1501 WeakPolarHBondContact CB-OG1 3.3Å; S1499-T1501 PolarHBondContact O-N 3.16Å; S1499-T1501 PolarHBondContact OG-N 2.87Å; S1499-T1501 PolarHBondContact OG-O 3.32Å; S1499-T1501 PolarHBondContact OG-OG1 3.08Å; T1501-I1503 PolarHBondContact O-N 2.98Å; T1501-E1506 WeakPolarHBondContact CB-OE1 3.42Å; T1501-E1506 HydrophobicContact CG2-CG 4.32Å; T1501-E1506 VanDerWaalsContact CG2-OE1 3.27Å; T1501-E1506 WeakPolarHBondContact CG2-OE1 3.44Å; T1501-E1506 PolarHBondContact OG1-OE1 2.83Å; T1501-T1612 VanDerWaalsContact C-CG2 3.44Å; T1501-T1612 WeakPolarHBondContact O-CG2 3.49Å | ||
| 1502 | S | 71.1 | Confident | 69 | Low | 0.8 Ų | 0.8 | 32.8 Ų | 32.8 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | trans | -87.1 | 132 | 170 | -166.7 | 0 | 0 | 0 | 0 | 109.2 | T1504 N1505 E1506 Q1551 T1612 | S1502-T1504 WeakPolarHBondContact CB-OG1 3.36Å; S1502-T1504 PolarHBondContact O-N 3.23Å; S1502-T1504 VanDerWaalsContact O-N 3.11Å; S1502-T1504 WeakPolarHBondContact OG-CB 3.43Å; S1502-T1504 PolarHBondContact OG-N 3.08Å; S1502-T1504 PolarHBondContact OG-OG1 3.1Å; S1502-N1505 PolarHBondContact O-N 3.25Å; S1502-E1506 PolarHBondContact O-N 3.16Å; S1502-E1506 VanDerWaalsContact O-N 3.16Å; S1502-Q1551 PolarHBondContact OG-NE2 3.32Å; S1502-T1612 WeakPolarHBondContact CB-O 3.37Å; S1502-T1612 PolarHBondContact OG-O 3.07Å | ||
| 1503 | I | 70.1 | Confident | 67 | Low | 3.4 Ų | 3.4 | 35.2 Ų | 35.2 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -51.7 | -33.1 | 168.8 | -153.9 | 172.5 | 0 | 0 | 0 | 111 | I1427 I1430 I1492 Y1495 T1501 W1507 W1546 P1547 Q1551 | I1427-I1503 HydrophobicContact CG1-CD1 4.36Å; I1430-I1503 HydrophobicContact CD1-CD1 3.79Å; I1430-I1503 HydrophobicContact CD1-CG1 3.87Å; I1492-I1503 HydrophobicContact CD1-CD1 4.02Å; I1492-I1503 HydrophobicContact CG2-CD1 4.37Å; Y1495-I1503 HydrophobicContact CD1-CB 4.45Å; Y1495-I1503 HydrophobicContact CD1-CD1 3.85Å; Y1495-I1503 HydrophobicContact CD1-CG1 3.8Å; Y1495-I1503 HydrophobicContact CE1-CB 4.34Å; Y1495-I1503 HydrophobicContact CE1-CD1 4.16Å; Y1495-I1503 HydrophobicContact CE1-CG1 3.67Å; T1501-I1503 PolarHBondContact O-N 2.98Å; I1503-W1507 HydrophobicContact CB-CH2 4.2Å; I1503-W1507 HydrophobicContact CB-CZ2 4.19Å; I1503-W1507 HydrophobicContact CD1-CH2 4.04Å; I1503-W1507 HydrophobicContact CD1-CZ2 4.32Å; I1503-W1507 HydrophobicContact CG1-CH2 3.87Å; I1503-W1507 HydrophobicContact CG1-CZ2 3.74Å; I1503-W1507 HydrophobicContact CG2-CD2 4.47Å; I1503-W1507 HydrophobicContact CG2-CE3 4.07Å; I1503-W1507 HydrophobicContact CG2-CH2 3.59Å; I1503-W1507 HydrophobicContact CG2-CZ2 4Å; I1503-W1507 HydrophobicContact CG2-CZ3 3.65Å; I1503-W1507 VanDerWaalsContact O-CB 3.28Å; I1503-W1507 WeakPolarHBondContact O-CB 3.36Å; I1503-W1507 PolarHBondContact O-N 3.31Å; I1503-W1507 VanDerWaalsContact O-N 3.15Å; I1503-W1546 HydrophobicContact CD1-CH2 4.01Å; I1503-W1546 HydrophobicContact CD1-CZ3 4.31Å; I1503-W1546 HydrophobicContact CG1-CH2 4.49Å; I1503-P1547 HydrophobicContact CG2-CB 4.06Å; I1503-Q1551 HydrophobicContact CG2-CG 4.02Å |
| 1504 | T | 68 | Low | 65.3 | Low | 3.8 Ų | 3.8 | 37.7 Ų | 37.7 | 2% | 0.023 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.8 | -36.9 | 176.4 | 66.6 | 0 | 0 | 0 | 0 | 112.5 | S1502 W1507 K1508 P1547 E1548 Q1551 | S1502-T1504 WeakPolarHBondContact CB-OG1 3.36Å; S1502-T1504 PolarHBondContact O-N 3.23Å; S1502-T1504 VanDerWaalsContact O-N 3.11Å; S1502-T1504 WeakPolarHBondContact OG-CB 3.43Å; S1502-T1504 PolarHBondContact OG-N 3.08Å; S1502-T1504 PolarHBondContact OG-OG1 3.1Å; T1504-W1507 PolarHBondContact O-N 3.06Å; T1504-K1508 VanDerWaalsContact CB-NZ 3.29Å; T1504-K1508 VanDerWaalsContact O-CB 3.27Å; T1504-K1508 WeakPolarHBondContact O-CB 3.42Å; T1504-K1508 VanDerWaalsContact O-CD 3.27Å; T1504-K1508 WeakPolarHBondContact O-CD 3.47Å; T1504-K1508 VanDerWaalsContact O-CG 3.28Å; T1504-K1508 WeakPolarHBondContact O-CG 3.22Å; T1504-K1508 PolarHBondContact O-N 3.26Å; T1504-K1508 PolarHBondContact OG1-NZ 2.95Å; T1504-P1547 HydrophobicContact CG2-CB 4.07Å; T1504-E1548 HydrophobicContact CG2-CB 4.41Å; T1504-E1548 HydrophobicContact CG2-CG 3.68Å; T1504-Q1551 VanDerWaalsContact CG2-OE1 3.26Å |
| 1505 | N | 64.1 | Low | 63.5 | Low | 60.6 Ų | 60.6 | 42.7 Ų | 42.7 | 32% | 0.324 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -75.3 | -40 | -177.6 | -71 | -4.8 | 0 | 0 | 0 | 111.5 | S1502 W1507 K1508 R1509 | S1502-N1505 PolarHBondContact O-N 3.25Å; N1505-W1507 VanDerWaalsContact C-N 3.27Å; N1505-W1507 PolarHBondContact O-N 3.19Å; N1505-K1508 WeakPolarHBondContact O-CB 3.44Å; N1505-K1508 PolarHBondContact O-N 3.23Å; N1505-R1509 WeakPolarHBondContact O-CG 3.33Å; N1505-R1509 PolarHBondContact O-N 3.15Å; N1505-R1509 VanDerWaalsContact O-N 3.12Å |
| 1506 | E | 64 | Low | 61.9 | Low | 21.8 Ų | 21.8 | 46.7 Ų | 46.7 | 10% | 0.102 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.3 | -41.3 | 173.1 | -66.4 | -69.6 | 150.1 | 0 | 0 | 111.1 | I1430 T1434 Y1495 T1501 S1502 K1508 R1509 F1510 | I1430-E1506 HydrophobicContact CG2-CB 4.18Å; T1434-E1506 HydrophobicContact CG2-CB 4.14Å; T1434-E1506 HydrophobicContact CG2-CG 4.25Å; Y1495-E1506 PolarHBondContact OH-OE1 2.7Å; Y1495-E1506 VanDerWaalsContact OH-OE1 3.07Å; Y1495-E1506 PolarHBondContact OH-OE2 3.34Å; T1501-E1506 WeakPolarHBondContact CB-OE1 3.42Å; T1501-E1506 HydrophobicContact CG2-CG 4.32Å; T1501-E1506 VanDerWaalsContact CG2-OE1 3.27Å; T1501-E1506 WeakPolarHBondContact CG2-OE1 3.44Å; T1501-E1506 PolarHBondContact OG1-OE1 2.83Å; S1502-E1506 PolarHBondContact O-N 3.16Å; S1502-E1506 VanDerWaalsContact O-N 3.16Å; E1506-K1508 VanDerWaalsContact C-N 3.3Å; E1506-K1508 PolarHBondContact O-N 3Å; E1506-R1509 VanDerWaalsContact CD-NH1 3.29Å; E1506-R1509 WeakPolarHBondContact O-CB 3.39Å; E1506-R1509 PolarHBondContact O-N 2.98Å; E1506-R1509 IonicContact OE1-CZ 2.85Å; E1506-R1509 IonicContact OE1-NH1 3.13Å; E1506-R1509 PolarHBondContact OE1-NH1 3.02Å; E1506-R1509 IonicContact OE1-NH2 3.74Å; E1506-R1509 WeakPolarHBondContact OE2-CD 3.44Å; E1506-R1509 IonicContact OE2-CZ 3.62Å; E1506-R1509 IonicContact OE2-NH1 3.07Å; E1506-R1509 PolarHBondContact OE2-NH1 3.12Å; E1506-F1510 HydrophobicContact CB-CE2 4.31Å; E1506-F1510 VanDerWaalsContact O-CD2 3.23Å; E1506-F1510 WeakPolarHBondContact O-CD2 3.28Å; E1506-F1510 VanDerWaalsContact O-CE2 3.29Å; E1506-F1510 WeakPolarHBondContact O-CE2 3.39Å; E1506-F1510 PolarHBondContact O-N 2.93Å |
| 1507 | W | 65.8 | Low | 60.4 | Low | 8.4 Ų | 8.4 | 47.9 Ų | 47.9 | 3% | 0.032 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.9 | -38.5 | 177.2 | -156.7 | -83.3 | 0 | 0 | 0 | 112.7 | I1430 F1449 L1452 I1503 T1504 N1505 R1509 F1510 L1511 V1544 W1546 P1547 | I1430-W1507 HydrophobicContact CB-CZ2 4.48Å; I1430-W1507 HydrophobicContact CD1-CE3 4.49Å; I1430-W1507 HydrophobicContact CD1-CH2 3.64Å; I1430-W1507 HydrophobicContact CD1-CZ2 3.36Å; I1430-W1507 HydrophobicContact CG1-CH2 4.46Å; I1430-W1507 HydrophobicContact CG1-CZ2 3.89Å; I1430-W1507 HydrophobicContact CG2-CZ2 3.81Å; F1449-W1507 HydrophobicContact CD2-CE3 4.26Å; F1449-W1507 AromaticContact CD2-CH2 3.71Å; F1449-W1507 HydrophobicContact CD2-CH2 3.71Å; F1449-W1507 AromaticContact CD2-CZ2 3.65Å; F1449-W1507 HydrophobicContact CD2-CZ2 3.88Å; F1449-W1507 AromaticContact CD2-CZ3 3.78Å; F1449-W1507 HydrophobicContact CD2-CZ3 4.12Å; F1449-W1507 HydrophobicContact CE1-CH2 4.2Å; F1449-W1507 HydrophobicContact CE1-CZ2 4.1Å; F1449-W1507 HydrophobicContact CE2-CB 3.74Å; F1449-W1507 AromaticContact CE2-CD2 3.74Å; F1449-W1507 HydrophobicContact CE2-CD2 4.09Å; F1449-W1507 AromaticContact CE2-CE2 3.58Å; F1449-W1507 VanDerWaalsContact CE2-CE2 3.49Å; F1449-W1507 AromaticContact CE2-CE3 3.78Å; F1449-W1507 HydrophobicContact CE2-CE3 3.78Å; F1449-W1507 AromaticContact CE2-CG 3.56Å; F1449-W1507 HydrophobicContact CE2-CG 3.56Å; F1449-W1507 AromaticContact CE2-CH2 3.56Å; F1449-W1507 HydrophobicContact CE2-CH2 3.56Å; F1449-W1507 AromaticContact CE2-CZ2 3.23Å; F1449-W1507 HydrophobicContact CE2-CZ2 3.23Å; F1449-W1507 VanDerWaalsContact CE2-CZ2 3.44Å; F1449-W1507 AromaticContact CE2-CZ3 3.5Å; F1449-W1507 HydrophobicContact CE2-CZ3 3.99Å; F1449-W1507 VanDerWaalsContact CE2-CZ3 3.5Å; F1449-W1507 AromaticContact CE2-NE1 3.86Å; F1449-W1507 HydrophobicContact CG-CH2 4.42Å; F1449-W1507 HydrophobicContact CZ-CB 3.75Å; F1449-W1507 HydrophobicContact CZ-CD2 4.2Å; F1449-W1507 AromaticContact CZ-CE2 3.66Å; F1449-W1507 AromaticContact CZ-CE3 3.9Å; F1449-W1507 HydrophobicContact CZ-CE3 3.9Å; F1449-W1507 HydrophobicContact CZ-CG 4Å; F1449-W1507 AromaticContact CZ-CH2 3.54Å; F1449-W1507 HydrophobicContact CZ-CH2 3.54Å; F1449-W1507 AromaticContact CZ-CZ2 3.64Å; F1449-W1507 HydrophobicContact CZ-CZ2 3.64Å; F1449-W1507 HydrophobicContact CZ-CZ3 4.18Å; F1449-W1507 WeakPolarHBondContact O-CH2 3.33Å; L1452-W1507 HydrophobicContact CB-CH2 4.09Å; L1452-W1507 HydrophobicContact CB-CZ3 4.04Å; L1452-W1507 HydrophobicContact CD2-CZ3 4.09Å; L1452-W1507 HydrophobicContact CG-CZ3 4.04Å; I1503-W1507 HydrophobicContact CB-CH2 4.2Å; I1503-W1507 HydrophobicContact CB-CZ2 4.19Å; I1503-W1507 HydrophobicContact CD1-CH2 4.04Å; I1503-W1507 HydrophobicContact CD1-CZ2 4.32Å; I1503-W1507 HydrophobicContact CG1-CH2 3.87Å; I1503-W1507 HydrophobicContact CG1-CZ2 3.74Å; I1503-W1507 HydrophobicContact CG2-CD2 4.47Å; I1503-W1507 HydrophobicContact CG2-CE3 4.07Å; I1503-W1507 HydrophobicContact CG2-CH2 3.59Å; I1503-W1507 HydrophobicContact CG2-CZ2 4Å; I1503-W1507 HydrophobicContact CG2-CZ3 3.65Å; I1503-W1507 VanDerWaalsContact O-CB 3.28Å; I1503-W1507 WeakPolarHBondContact O-CB 3.36Å; I1503-W1507 PolarHBondContact O-N 3.31Å; I1503-W1507 VanDerWaalsContact O-N 3.15Å; T1504-W1507 PolarHBondContact O-N 3.06Å; N1505-W1507 VanDerWaalsContact C-N 3.27Å; N1505-W1507 PolarHBondContact O-N 3.19Å; W1507-R1509 PolarHBondContact O-N 3.3Å; W1507-F1510 AromaticContact CE3-CD1 3.94Å; W1507-F1510 HydrophobicContact CE3-CD1 3.94Å; W1507-F1510 HydrophobicContact CH2-CD1 4.5Å; W1507-F1510 AromaticContact CZ3-CD1 3.73Å; W1507-F1510 HydrophobicContact CZ3-CD1 3.73Å; W1507-F1510 HydrophobicContact CZ3-CE1 4.01Å; W1507-F1510 VanDerWaalsContact O-CB 3.22Å; W1507-F1510 WeakPolarHBondContact O-CB 3.46Å; W1507-F1510 PolarHBondContact O-N 2.97Å; W1507-F1510 VanDerWaalsContact O-N 3.11Å; W1507-L1511 HydrophobicContact CE3-CD1 3.84Å; W1507-L1511 HydrophobicContact CE3-CG 4.28Å; W1507-L1511 HydrophobicContact CH2-CD1 3.68Å; W1507-L1511 HydrophobicContact CH2-CD2 3.97Å; W1507-L1511 HydrophobicContact CH2-CG 4.09Å; W1507-L1511 HydrophobicContact CZ3-CD1 3.16Å; W1507-L1511 HydrophobicContact CZ3-CD2 4.25Å; W1507-L1511 HydrophobicContact CZ3-CG 3.85Å; W1507-L1511 PolarHBondContact O-N 3.32Å; W1507-L1511 VanDerWaalsContact O-N 3.08Å; W1507-V1544 WeakPolarHBondContact CH2-O 3.44Å; W1507-V1544 HydrophobicContact CZ3-CG1 4.48Å; W1507-V1544 WeakPolarHBondContact CZ3-O 3.46Å; W1507-V1544 PolarHBondContact NE1-O 3.07Å; W1507-W1546 HydrophobicContact CD2-CZ2 4.28Å; W1507-W1546 AromaticContact CD2-NE1 3.94Å; W1507-W1546 AromaticContact CE2-NE1 3.48Å; W1507-W1546 HydrophobicContact CE3-CH2 4.36Å; W1507-W1546 AromaticContact CE3-CZ2 3.94Å; W1507-W1546 HydrophobicContact CE3-CZ2 4.03Å; W1507-W1546 AromaticContact CH2-CH2 3.44Å; W1507-W1546 HydrophobicContact CH2-CH2 3.44Å; W1507-W1546 VanDerWaalsContact CH2-CH2 3.44Å; W1507-W1546 AromaticContact CH2-CZ2 3.85Å; W1507-W1546 HydrophobicContact CH2-CZ2 4.2Å; W1507-W1546 HydrophobicContact CH2-CZ3 4.06Å; W1507-W1546 AromaticContact CH2-NE1 3.61Å; W1507-W1546 VanDerWaalsContact CH2-NE1 3.32Å; W1507-W1546 AromaticContact CZ2-CD1 3.81Å; W1507-W1546 AromaticContact CZ2-NE1 3.32Å; W1507-W1546 VanDerWaalsContact CZ2-NE1 3.26Å; W1507-W1546 HydrophobicContact CZ3-CD2 4.44Å; W1507-W1546 AromaticContact CZ3-CE2 3.85Å; W1507-W1546 HydrophobicContact CZ3-CE3 4.41Å; W1507-W1546 AromaticContact CZ3-CH2 3.28Å; W1507-W1546 HydrophobicContact CZ3-CH2 3.28Å; W1507-W1546 AromaticContact CZ3-CZ2 3.6Å; W1507-W1546 HydrophobicContact CZ3-CZ2 3.93Å; W1507-W1546 AromaticContact CZ3-CZ3 3.87Å; W1507-W1546 HydrophobicContact CZ3-CZ3 3.87Å; W1507-W1546 AromaticContact CZ3-NE1 3.82Å; W1507-W1546 AromaticContact NE1-NE1 3.87Å; W1507-P1547 HydrophobicContact CB-CG 4.09Å; W1507-P1547 VanDerWaalsContact CD1-CG 3.46Å; W1507-P1547 HydrophobicContact CD2-CG 4.05Å; W1507-P1547 HydrophobicContact CE3-CB 3.61Å; W1507-P1547 HydrophobicContact CE3-CG 3.58Å; W1507-P1547 HydrophobicContact CG-CG 3.71Å; W1507-P1547 HydrophobicContact CZ3-CB 3.46Å; W1507-P1547 VanDerWaalsContact CZ3-CB 3.46Å; W1507-P1547 HydrophobicContact CZ3-CG 3.49Å; W1507-P1547 VanDerWaalsContact CZ3-CG 3.49Å |
| 1508 | K | 62.8 | Low | 58.8 | Low | 41.4 Ų | 41.4 | 50.7 Ų | 50.7 | 18% | 0.18 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.1 | -34.5 | 173.8 | -78.7 | 171.2 | 176.8 | 178 | 0 | 113.1 | T1504 N1505 E1506 F1510 L1511 E1548 D1887 M1891 | T1504-K1508 VanDerWaalsContact CB-NZ 3.29Å; T1504-K1508 VanDerWaalsContact O-CB 3.27Å; T1504-K1508 WeakPolarHBondContact O-CB 3.42Å; T1504-K1508 VanDerWaalsContact O-CD 3.27Å; T1504-K1508 WeakPolarHBondContact O-CD 3.47Å; T1504-K1508 VanDerWaalsContact O-CG 3.28Å; T1504-K1508 WeakPolarHBondContact O-CG 3.22Å; T1504-K1508 PolarHBondContact O-N 3.26Å; T1504-K1508 PolarHBondContact OG1-NZ 2.95Å; N1505-K1508 WeakPolarHBondContact O-CB 3.44Å; N1505-K1508 PolarHBondContact O-N 3.23Å; E1506-K1508 VanDerWaalsContact C-N 3.3Å; E1506-K1508 PolarHBondContact O-N 3Å; K1508-F1510 VanDerWaalsContact C-N 3.27Å; K1508-F1510 PolarHBondContact O-N 3.05Å; K1508-L1511 WeakPolarHBondContact O-CB 3.32Å; K1508-L1511 PolarHBondContact O-N 3.14Å; K1508-L1511 VanDerWaalsContact O-N 3.1Å; K1508-E1548 WeakPolarHBondContact CE-OE1 3.33Å; K1508-E1548 IonicContact NZ-OE1 3.73Å; K1508-E1548 PolarHBondContact NZ-OE1 3.28Å; K1508-D1887 WeakPolarHBondContact CE-OD2 3.11Å; K1508-D1887 IonicContact NZ-OD1 3.59Å; K1508-D1887 PolarHBondContact NZ-OD1 3.21Å; K1508-D1887 IonicContact NZ-OD2 3.49Å; K1508-D1887 PolarHBondContact NZ-OD2 2.89Å; K1508-M1891 HydrophobicContact CB-CE 4.1Å; K1508-M1891 HydrophobicContact CB-SD 3.86Å; K1508-M1891 HydrophobicContact CD-CE 3.71Å; K1508-M1891 HydrophobicContact CD-SD 4.15Å; K1508-M1891 HydrophobicContact CG-CE 4.32Å; K1508-M1891 HydrophobicContact CG-SD 4.15Å |
| 1509 | R | 58.6 | Low | 57.4 | Low | 162.6 Ų | 162.6 | 51.6 Ų | 51.6 | 61% | 0.614 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.3 | -27.6 | 172.7 | -76.3 | 177.2 | -178.5 | 156.9 | 2.2 | 112.8 | N1505 E1506 W1507 L1511 L1512 | N1505-R1509 WeakPolarHBondContact O-CG 3.33Å; N1505-R1509 PolarHBondContact O-N 3.15Å; N1505-R1509 VanDerWaalsContact O-N 3.12Å; E1506-R1509 VanDerWaalsContact CD-NH1 3.29Å; E1506-R1509 WeakPolarHBondContact O-CB 3.39Å; E1506-R1509 PolarHBondContact O-N 2.98Å; E1506-R1509 IonicContact OE1-CZ 2.85Å; E1506-R1509 IonicContact OE1-NH1 3.13Å; E1506-R1509 PolarHBondContact OE1-NH1 3.02Å; E1506-R1509 IonicContact OE1-NH2 3.74Å; E1506-R1509 WeakPolarHBondContact OE2-CD 3.44Å; E1506-R1509 IonicContact OE2-CZ 3.62Å; E1506-R1509 IonicContact OE2-NH1 3.07Å; E1506-R1509 PolarHBondContact OE2-NH1 3.12Å; W1507-R1509 PolarHBondContact O-N 3.3Å; R1509-L1511 VanDerWaalsContact C-N 3.29Å; R1509-L1511 PolarHBondContact O-N 3.11Å; R1509-L1512 WeakPolarHBondContact O-CD1 3.34Å; R1509-L1512 VanDerWaalsContact O-CG 3.28Å; R1509-L1512 WeakPolarHBondContact O-CG 3.3Å |
| 1510 | F | 55.4 | Low | 56.3 | Low | 36.6 Ų | 36.6 | 54.2 Ų | 54.2 | 16% | 0.161 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -15.9 | 178.8 | -99.2 | -81.4 | 0 | 0 | 0 | 113.9 | V1433 T1434 T1437 V1445 S1446 F1449 L1452 E1506 W1507 K1508 L1512 | V1433-F1510 HydrophobicContact CB-CD2 4.22Å; V1433-F1510 HydrophobicContact CB-CE2 3.77Å; V1433-F1510 HydrophobicContact CB-CZ 4.35Å; V1433-F1510 HydrophobicContact CG1-CD1 4.4Å; V1433-F1510 HydrophobicContact CG1-CD2 3.61Å; V1433-F1510 HydrophobicContact CG1-CE1 3.87Å; V1433-F1510 HydrophobicContact CG1-CE2 3.48Å; V1433-F1510 HydrophobicContact CG1-CZ 3.78Å; V1433-F1510 HydrophobicContact CG2-CE2 3.84Å; V1433-F1510 HydrophobicContact CG2-CZ 4.49Å; T1434-F1510 HydrophobicContact CG2-CB 4.42Å; T1434-F1510 HydrophobicContact CG2-CE2 3.66Å; T1434-F1510 HydrophobicContact CG2-CZ 3.89Å; T1437-F1510 HydrophobicContact CG2-CE1 4.3Å; T1437-F1510 HydrophobicContact CG2-CZ 4.38Å; T1437-F1510 WeakPolarHBondContact OG1-CE1 3.39Å; V1445-F1510 HydrophobicContact CG1-CE1 4.06Å; V1445-F1510 HydrophobicContact CG1-CZ 3.96Å; S1446-F1510 WeakPolarHBondContact OG-CE2 3.45Å; S1446-F1510 VanDerWaalsContact OG-CZ 3.28Å; S1446-F1510 WeakPolarHBondContact OG-CZ 3.5Å; F1449-F1510 HydrophobicContact CB-CD1 4.17Å; F1449-F1510 HydrophobicContact CB-CE1 3.66Å; F1449-F1510 HydrophobicContact CB-CZ 4.05Å; F1449-F1510 HydrophobicContact CD2-CB 3.96Å; F1449-F1510 AromaticContact CD2-CD1 3.91Å; F1449-F1510 HydrophobicContact CD2-CD1 4.12Å; F1449-F1510 HydrophobicContact CD2-CD2 4.16Å; F1449-F1510 HydrophobicContact CD2-CE1 4.28Å; F1449-F1510 AromaticContact CD2-CG 3.83Å; F1449-F1510 HydrophobicContact CD2-CG 3.83Å; F1449-F1510 HydrophobicContact CE1-CD2 4.03Å; F1449-F1510 HydrophobicContact CE1-CE2 4.42Å; F1449-F1510 HydrophobicContact CE2-CB 4.02Å; F1449-F1510 AromaticContact CE2-CD1 3.64Å; F1449-F1510 HydrophobicContact CE2-CD1 3.64Å; F1449-F1510 AromaticContact CE2-CD2 3.36Å; F1449-F1510 HydrophobicContact CE2-CD2 3.36Å; F1449-F1510 HydrophobicContact CE2-CE1 4.06Å; F1449-F1510 AromaticContact CE2-CE2 3.86Å; F1449-F1510 HydrophobicContact CE2-CE2 3.86Å; F1449-F1510 AromaticContact CE2-CG 3.26Å; F1449-F1510 HydrophobicContact CE2-CG 3.26Å; F1449-F1510 HydrophobicContact CE2-CZ 4.16Å; F1449-F1510 HydrophobicContact CG-CB 4.44Å; F1449-F1510 HydrophobicContact CG-CD1 4.4Å; F1449-F1510 HydrophobicContact CG-CE1 4.45Å; F1449-F1510 HydrophobicContact CZ-CB 4.4Å; F1449-F1510 HydrophobicContact CZ-CD1 4.31Å; F1449-F1510 AromaticContact CZ-CD2 3.28Å; F1449-F1510 HydrophobicContact CZ-CD2 3.28Å; F1449-F1510 HydrophobicContact CZ-CE1 4.45Å; F1449-F1510 AromaticContact CZ-CE2 3.51Å; F1449-F1510 HydrophobicContact CZ-CE2 3.51Å; F1449-F1510 AromaticContact CZ-CG 3.74Å; F1449-F1510 HydrophobicContact CZ-CG 3.74Å; F1449-F1510 HydrophobicContact CZ-CZ 4.09Å; L1452-F1510 HydrophobicContact CD2-CE1 4.46Å; E1506-F1510 HydrophobicContact CB-CE2 4.31Å; E1506-F1510 VanDerWaalsContact O-CD2 3.23Å; E1506-F1510 WeakPolarHBondContact O-CD2 3.28Å; E1506-F1510 VanDerWaalsContact O-CE2 3.29Å; E1506-F1510 WeakPolarHBondContact O-CE2 3.39Å; E1506-F1510 PolarHBondContact O-N 2.93Å; W1507-F1510 AromaticContact CE3-CD1 3.94Å; W1507-F1510 HydrophobicContact CE3-CD1 3.94Å; W1507-F1510 HydrophobicContact CH2-CD1 4.5Å; W1507-F1510 AromaticContact CZ3-CD1 3.73Å; W1507-F1510 HydrophobicContact CZ3-CD1 3.73Å; W1507-F1510 HydrophobicContact CZ3-CE1 4.01Å; W1507-F1510 VanDerWaalsContact O-CB 3.22Å; W1507-F1510 WeakPolarHBondContact O-CB 3.46Å; W1507-F1510 PolarHBondContact O-N 2.97Å; W1507-F1510 VanDerWaalsContact O-N 3.11Å; K1508-F1510 VanDerWaalsContact C-N 3.27Å; K1508-F1510 PolarHBondContact O-N 3.05Å; F1510-L1512 PolarHBondContact O-N 3.28Å |
| 1511 | L | 54.7 | Low | 55.5 | Low | 31.6 Ų | 31.6 | 55.2 Ų | 55.2 | 17% | 0.165 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 62.2 | 174.9 | -75.4 | 173.6 | 0 | 0 | 0 | 112.6 | F1449 W1507 K1508 R1509 S1513 L1517 V1544 I1888 | F1449-L1511 HydrophobicContact CD1-CD2 4.4Å; F1449-L1511 HydrophobicContact CD2-CD2 3.71Å; F1449-L1511 HydrophobicContact CD2-CG 4.26Å; F1449-L1511 HydrophobicContact CE1-CD2 4.03Å; F1449-L1511 HydrophobicContact CE2-CD1 4.4Å; F1449-L1511 HydrophobicContact CE2-CD2 3.41Å; F1449-L1511 HydrophobicContact CE2-CG 3.9Å; F1449-L1511 HydrophobicContact CG-CD2 4.38Å; F1449-L1511 HydrophobicContact CZ-CD2 3.32Å; F1449-L1511 HydrophobicContact CZ-CG 4.2Å; W1507-L1511 HydrophobicContact CE3-CD1 3.84Å; W1507-L1511 HydrophobicContact CE3-CG 4.28Å; W1507-L1511 HydrophobicContact CH2-CD1 3.68Å; W1507-L1511 HydrophobicContact CH2-CD2 3.97Å; W1507-L1511 HydrophobicContact CH2-CG 4.09Å; W1507-L1511 HydrophobicContact CZ3-CD1 3.16Å; W1507-L1511 HydrophobicContact CZ3-CD2 4.25Å; W1507-L1511 HydrophobicContact CZ3-CG 3.85Å; W1507-L1511 PolarHBondContact O-N 3.32Å; W1507-L1511 VanDerWaalsContact O-N 3.08Å; K1508-L1511 WeakPolarHBondContact O-CB 3.32Å; K1508-L1511 PolarHBondContact O-N 3.14Å; K1508-L1511 VanDerWaalsContact O-N 3.1Å; R1509-L1511 VanDerWaalsContact C-N 3.29Å; R1509-L1511 PolarHBondContact O-N 3.11Å; L1511-S1513 PolarHBondContact O-N 3.14Å; L1511-L1517 HydrophobicContact CD1-CD1 4.31Å; L1511-L1517 HydrophobicContact CD2-CD1 3.46Å; L1511-L1517 VanDerWaalsContact CD2-CD1 3.46Å; L1511-V1544 HydrophobicContact CD1-CG1 4.03Å; L1511-V1544 HydrophobicContact CD2-CG1 4.18Å; L1511-V1544 HydrophobicContact CD2-CG2 4.19Å; L1511-V1544 HydrophobicContact CG-CG1 4.5Å; L1511-I1888 HydrophobicContact CD1-CD1 4.41Å; L1511-I1888 HydrophobicContact CD1-CG1 4.38Å; L1511-I1888 HydrophobicContact CD1-CG2 3.92Å |
| 1512 | L | 46.1 | Very low | 54.3 | Low | 83.2 Ų | 83.2 | 55.5 Ų | 55.5 | 44% | 0.436 | 27% | 0.271 | S | S | . | . | trans | -58.2 | 119.8 | 178.6 | -73.9 | 118.3 | 0 | 0 | 0 | 112.2 | V1445 R1509 F1510 K1516 | V1445-L1512 HydrophobicContact CB-CD1 4.27Å; V1445-L1512 HydrophobicContact CG2-CD1 3.38Å; V1445-L1512 VanDerWaalsContact CG2-CD1 3.48Å; V1445-L1512 VanDerWaalsContact N-CD1 3.34Å; R1509-L1512 WeakPolarHBondContact O-CD1 3.34Å; R1509-L1512 VanDerWaalsContact O-CG 3.28Å; R1509-L1512 WeakPolarHBondContact O-CG 3.3Å; F1510-L1512 PolarHBondContact O-N 3.28Å; L1512-K1516 HydrophobicContact CB-CB 4.18Å; L1512-K1516 HydrophobicContact CD2-CB 3.87Å; L1512-K1516 HydrophobicContact CD2-CD 4.05Å | ||
| 1513 | S | 45 | Very low | 52.9 | Low | 54.4 Ų | 54.4 | 61.2 Ų | 61.2 | 38% | 0.38 | 30% | 0.298 | S | S | . | . | trans | 16.3 | 94.2 | 175.2 | -172.5 | 0 | 0 | 0 | 0 | 112.8 | L1511 Q1515 K1516 L1517 | L1511-S1513 PolarHBondContact O-N 3.14Å; S1513-Q1515 VanDerWaalsContact C-N 3.27Å; S1513-Q1515 PolarHBondContact O-N 3.19Å; S1513-Q1515 VanDerWaalsContact O-N 3.14Å; S1513-K1516 PolarHBondContact O-N 3.1Å; S1513-K1516 VanDerWaalsContact O-N 3.14Å; S1513-L1517 PolarHBondContact O-N 3.1Å | ||
| 1514 | P | 48.9 | Very low | 51.4 | Low | 57 Ų | 57 | 63.6 Ų | 63.6 | 37% | 0.37 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.6 | -25.6 | -179.1 | 7.7 | -16.7 | 0 | 0 | 0 | 114.3 | K1516 L1517 F1518 S1892 | P1514-K1516 VanDerWaalsContact C-N 3.34Å; P1514-K1516 PolarHBondContact O-N 3.24Å; P1514-K1516 VanDerWaalsContact O-N 3.12Å; P1514-L1517 CarbonylContact O-C 3.54Å; P1514-L1517 WeakPolarHBondContact O-CA 3.44Å; P1514-L1517 WeakPolarHBondContact O-CB 3.39Å; P1514-L1517 PolarHBondContact O-N 3.18Å; P1514-F1518 VanDerWaalsContact O-CB 3.24Å; P1514-F1518 WeakPolarHBondContact O-CB 3.45Å; P1514-F1518 PolarHBondContact O-N 3.23Å; P1514-S1892 VanDerWaalsContact CB-CB 3.41Å; P1514-S1892 VanDerWaalsContact CB-OG 3.24Å; P1514-S1892 WeakPolarHBondContact CB-OG 3.41Å; P1514-S1892 VanDerWaalsContact CG-CA 3.44Å; P1514-S1892 WeakPolarHBondContact CG-OG 3.3Å |
| 1515 | Q | 46.2 | Very low | 49.8 | Very low | 141.4 Ų | 141.4 | 68.6 Ų | 68.6 | 66% | 0.661 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -55 | -36.3 | 171.4 | -71.7 | 174.4 | -13.7 | 0 | 0 | 112.9 | S1513 L1517 F1518 N1519 | S1513-Q1515 VanDerWaalsContact C-N 3.27Å; S1513-Q1515 PolarHBondContact O-N 3.19Å; S1513-Q1515 VanDerWaalsContact O-N 3.14Å; Q1515-L1517 VanDerWaalsContact C-N 3.34Å; Q1515-F1518 WeakPolarHBondContact O-CB 3.4Å; Q1515-F1518 PolarHBondContact O-N 2.91Å; Q1515-N1519 WeakPolarHBondContact O-CB 3.31Å; Q1515-N1519 VanDerWaalsContact O-CG 3.25Å; Q1515-N1519 PolarHBondContact O-N 3.11Å; Q1515-N1519 VanDerWaalsContact O-N 3.14Å; Q1515-N1519 PolarHBondContact O-OD1 3.3Å; Q1515-N1519 VanDerWaalsContact O-OD1 3.13Å |
| 1516 | K | 47.4 | Very low | 48.6 | Very low | 110.4 Ų | 110.4 | 71.5 Ų | 71.5 | 48% | 0.48 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -77.8 | -29.1 | 176.5 | -72.3 | -176.2 | -179.8 | -179.7 | 0 | 112.9 | S1443 V1445 L1512 S1513 P1514 F1518 N1519 F1520 | S1443-K1516 PolarHBondContact O-NZ 2.99Å; S1443-K1516 VanDerWaalsContact O-NZ 3.16Å; V1445-K1516 HydrophobicContact CG2-CB 3.55Å; V1445-K1516 HydrophobicContact CG2-CD 4.3Å; L1512-K1516 HydrophobicContact CB-CB 4.18Å; L1512-K1516 HydrophobicContact CD2-CB 3.87Å; L1512-K1516 HydrophobicContact CD2-CD 4.05Å; S1513-K1516 PolarHBondContact O-N 3.1Å; S1513-K1516 VanDerWaalsContact O-N 3.14Å; P1514-K1516 VanDerWaalsContact C-N 3.34Å; P1514-K1516 PolarHBondContact O-N 3.24Å; P1514-K1516 VanDerWaalsContact O-N 3.12Å; K1516-F1518 VanDerWaalsContact C-N 3.28Å; K1516-N1519 PolarHBondContact O-N 3.31Å; K1516-F1520 WeakPolarHBondContact O-CB 3.37Å; K1516-F1520 PolarHBondContact O-N 2.99Å; K1516-F1520 VanDerWaalsContact O-N 3.1Å |
| 1517 | L | 47.4 | Very low | 47.3 | Very low | 30.4 Ų | 30.4 | 76.1 Ų | 76.1 | 16% | 0.159 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -71.9 | -37.6 | 172.9 | -161.1 | 146.9 | 0 | 0 | 0 | 110.4 | F1449 L1511 S1513 P1514 Q1515 N1519 F1520 I1521 V1544 I1888 F1889 | F1449-L1517 HydrophobicContact CE1-CD1 4.19Å; F1449-L1517 HydrophobicContact CZ-CD1 4.17Å; L1511-L1517 HydrophobicContact CD1-CD1 4.31Å; L1511-L1517 HydrophobicContact CD2-CD1 3.46Å; L1511-L1517 VanDerWaalsContact CD2-CD1 3.46Å; S1513-L1517 PolarHBondContact O-N 3.1Å; P1514-L1517 CarbonylContact O-C 3.54Å; P1514-L1517 WeakPolarHBondContact O-CA 3.44Å; P1514-L1517 WeakPolarHBondContact O-CB 3.39Å; P1514-L1517 PolarHBondContact O-N 3.18Å; Q1515-L1517 VanDerWaalsContact C-N 3.34Å; L1517-N1519 VanDerWaalsContact C-N 3.35Å; L1517-N1519 PolarHBondContact O-N 3.45Å; L1517-F1520 VanDerWaalsContact O-CB 3.32Å; L1517-F1520 WeakPolarHBondContact O-CB 3.38Å; L1517-F1520 PolarHBondContact O-N 3.25Å; L1517-F1520 VanDerWaalsContact O-N 3.08Å; L1517-I1521 HydrophobicContact CD2-CD1 3.74Å; L1517-I1521 HydrophobicContact CD2-CG1 4.31Å; L1517-I1521 HydrophobicContact CG-CD1 4.33Å; L1517-I1521 WeakPolarHBondContact O-CG1 3.29Å; L1517-I1521 PolarHBondContact O-N 2.93Å; L1517-I1521 VanDerWaalsContact O-N 3.08Å; L1517-V1544 HydrophobicContact CD1-CG1 4.02Å; L1517-V1544 HydrophobicContact CD1-CG2 4.14Å; L1517-V1544 HydrophobicContact CD2-CG1 4.31Å; L1517-V1544 HydrophobicContact CD2-CG2 4.45Å; L1517-I1888 HydrophobicContact CD2-CG2 4.03Å; L1517-F1889 HydrophobicContact CD2-CE1 4.37Å; L1517-F1889 HydrophobicContact CD2-CE2 3.87Å; L1517-F1889 HydrophobicContact CD2-CZ 3.73Å |
| 1518 | F | 45.2 | Very low | 46.1 | Very low | 79.2 Ų | 79.2 | 81 Ų | 81 | 35% | 0.347 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 171.3 | -168.4 | -102 | 0 | 0 | 0 | 111.2 | L957 P1514 Q1515 K1516 F1520 I1521 S1522 F1889 I1903 | L957-F1518 HydrophobicContact CD1-CE2 4.22Å; L957-F1518 HydrophobicContact CD1-CZ 4.1Å; P1514-F1518 VanDerWaalsContact O-CB 3.24Å; P1514-F1518 WeakPolarHBondContact O-CB 3.45Å; P1514-F1518 PolarHBondContact O-N 3.23Å; Q1515-F1518 WeakPolarHBondContact O-CB 3.4Å; Q1515-F1518 PolarHBondContact O-N 2.91Å; K1516-F1518 VanDerWaalsContact C-N 3.28Å; F1518-F1520 VanDerWaalsContact C-N 3.28Å; F1518-F1520 PolarHBondContact O-N 3.13Å; F1518-F1520 VanDerWaalsContact O-N 3.15Å; F1518-I1521 WeakPolarHBondContact O-CA 3.47Å; F1518-I1521 WeakPolarHBondContact O-CB 3.36Å; F1518-I1521 PolarHBondContact O-N 3.21Å; F1518-I1521 VanDerWaalsContact O-N 3.1Å; F1518-S1522 WeakPolarHBondContact O-CB 3.42Å; F1518-S1522 PolarHBondContact O-N 3.13Å; F1518-S1522 PolarHBondContact O-OG 3.1Å; F1518-F1889 HydrophobicContact CD2-CE1 4.3Å; F1518-I1903 HydrophobicContact CD2-CD1 3.61Å; F1518-I1903 HydrophobicContact CD2-CG1 4.09Å; F1518-I1903 HydrophobicContact CE2-CB 4.49Å; F1518-I1903 HydrophobicContact CE2-CD1 3.83Å; F1518-I1903 HydrophobicContact CE2-CG1 3.54Å; F1518-I1903 HydrophobicContact CE2-CG2 4.16Å; F1518-I1903 HydrophobicContact CG-CD1 4.25Å; F1518-I1903 HydrophobicContact CZ-CD1 3.78Å; F1518-I1903 HydrophobicContact CZ-CG1 4.22Å |
| 1519 | N | 43.5 | Very low | 45 | Very low | 80.2 Ų | 80.2 | 85.2 Ų | 85.2 | 43% | 0.429 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.8 | -28.8 | 174.5 | -72.7 | 8.6 | 0 | 0 | 0 | 113.1 | Q1515 K1516 L1517 I1521 S1522 H1523 | Q1515-N1519 WeakPolarHBondContact O-CB 3.31Å; Q1515-N1519 VanDerWaalsContact O-CG 3.25Å; Q1515-N1519 PolarHBondContact O-N 3.11Å; Q1515-N1519 VanDerWaalsContact O-N 3.14Å; Q1515-N1519 PolarHBondContact O-OD1 3.3Å; Q1515-N1519 VanDerWaalsContact O-OD1 3.13Å; K1516-N1519 PolarHBondContact O-N 3.31Å; L1517-N1519 VanDerWaalsContact C-N 3.35Å; L1517-N1519 PolarHBondContact O-N 3.45Å; N1519-I1521 PolarHBondContact O-N 3.19Å; N1519-S1522 WeakPolarHBondContact CA-OG 3.28Å; N1519-S1522 PolarHBondContact O-N 3.41Å; N1519-S1522 PolarHBondContact O-OG 3.2Å; N1519-H1523 VanDerWaalsContact O-CB 3.27Å; N1519-H1523 WeakPolarHBondContact O-CB 3.33Å; N1519-H1523 PolarHBondContact O-CD2 2.98Å; N1519-H1523 PolarHBondContact O-N 2.95Å |
| 1520 | F | 44 | Very low | 43.8 | Very low | 87.4 Ų | 87.4 | 83.6 Ų | 83.6 | 38% | 0.383 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -70.4 | -33.5 | 174.1 | -167.5 | -84.1 | 0 | 0 | 0 | 112.2 | T1364 K1516 L1517 F1518 T1540 | T1364-F1520 HydrophobicContact CG2-CE2 3.86Å; K1516-F1520 WeakPolarHBondContact O-CB 3.37Å; K1516-F1520 PolarHBondContact O-N 2.99Å; K1516-F1520 VanDerWaalsContact O-N 3.1Å; L1517-F1520 VanDerWaalsContact O-CB 3.32Å; L1517-F1520 WeakPolarHBondContact O-CB 3.38Å; L1517-F1520 PolarHBondContact O-N 3.25Å; L1517-F1520 VanDerWaalsContact O-N 3.08Å; F1518-F1520 VanDerWaalsContact C-N 3.28Å; F1518-F1520 PolarHBondContact O-N 3.13Å; F1518-F1520 VanDerWaalsContact O-N 3.15Å; F1520-T1540 HydrophobicContact CD1-CG2 3.56Å; F1520-T1540 VanDerWaalsContact CD1-CG2 3.5Å; F1520-T1540 HydrophobicContact CE1-CG2 3.42Å; F1520-T1540 HydrophobicContact CZ-CG2 4.31Å |
| 1521 | I | 48.2 | Very low | 42.6 | Very low | 35.4 Ų | 35.4 | 89.6 Ų | 89.6 | 18% | 0.182 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -82.1 | -45.7 | 178.3 | -64.1 | 168.4 | 0 | 0 | 0 | 110.7 | L1517 F1518 N1519 S1524 T1537 T1540 L1541 F1885 F1889 L1907 | L1517-I1521 HydrophobicContact CD2-CD1 3.74Å; L1517-I1521 HydrophobicContact CD2-CG1 4.31Å; L1517-I1521 HydrophobicContact CG-CD1 4.33Å; L1517-I1521 WeakPolarHBondContact O-CG1 3.29Å; L1517-I1521 PolarHBondContact O-N 2.93Å; L1517-I1521 VanDerWaalsContact O-N 3.08Å; F1518-I1521 WeakPolarHBondContact O-CA 3.47Å; F1518-I1521 WeakPolarHBondContact O-CB 3.36Å; F1518-I1521 PolarHBondContact O-N 3.21Å; F1518-I1521 VanDerWaalsContact O-N 3.1Å; N1519-I1521 PolarHBondContact O-N 3.19Å; I1521-S1524 VanDerWaalsContact O-CB 3.27Å; I1521-S1524 WeakPolarHBondContact O-CB 3.36Å; I1521-S1524 PolarHBondContact O-N 3.32Å; I1521-T1537 HydrophobicContact CG1-CG2 4.45Å; I1521-T1537 HydrophobicContact CG2-CG2 4.21Å; I1521-T1540 HydrophobicContact CG1-CG2 4.37Å; I1521-L1541 HydrophobicContact CD1-CD2 4.23Å; I1521-F1885 HydrophobicContact CD1-CE2 4.22Å; I1521-F1885 HydrophobicContact CD1-CZ 4.19Å; I1521-F1889 HydrophobicContact CD1-CE1 4.37Å; I1521-F1889 HydrophobicContact CD1-CE2 4.3Å; I1521-F1889 HydrophobicContact CD1-CZ 3.82Å; I1521-L1907 HydrophobicContact CG2-CD2 3.81Å; I1521-L1907 VanDerWaalsContact CG2-CD2 3.46Å |
| 1522 | S | 42.7 | Very low | 41.7 | Very low | 34.8 Ų | 34.8 | 90.4 Ų | 90.4 | 24% | 0.243 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -71.7 | -33.6 | -177 | 64.2 | 0 | 0 | 0 | 0 | 113.6 | F1518 N1519 S1524 E1525 | F1518-S1522 WeakPolarHBondContact O-CB 3.42Å; F1518-S1522 PolarHBondContact O-N 3.13Å; F1518-S1522 PolarHBondContact O-OG 3.1Å; N1519-S1522 WeakPolarHBondContact CA-OG 3.28Å; N1519-S1522 PolarHBondContact O-N 3.41Å; N1519-S1522 PolarHBondContact O-OG 3.2Å; S1522-S1524 VanDerWaalsContact C-N 3.28Å; S1522-S1524 PolarHBondContact O-N 3.32Å; S1522-S1524 VanDerWaalsContact O-N 3.11Å; S1522-E1525 WeakPolarHBondContact O-CB 3.37Å; S1522-E1525 VanDerWaalsContact O-CG 3.29Å; S1522-E1525 WeakPolarHBondContact O-CG 3.4Å; S1522-E1525 PolarHBondContact O-N 3.19Å; S1522-E1525 VanDerWaalsContact O-N 3.11Å |
| 1523 | H | 41.8 | Very low | 41.3 | Very low | 122.2 Ų | 122.2 | 87.5 Ų | 87.5 | 57% | 0.566 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 6.2 | 176.7 | -62.9 | -46 | 0 | 0 | 0 | 114.2 | T1364 N1519 E1525 | T1364-H1523 HydrophobicContact CG2-CB 4.02Å; T1364-H1523 VanDerWaalsContact CG2-O 3.29Å; T1364-H1523 WeakPolarHBondContact CG2-O 3.28Å; N1519-H1523 VanDerWaalsContact O-CB 3.27Å; N1519-H1523 WeakPolarHBondContact O-CB 3.33Å; N1519-H1523 PolarHBondContact O-CD2 2.98Å; N1519-H1523 PolarHBondContact O-N 2.95Å; H1523-E1525 PolarHBondContact O-N 2.86Å |
| 1524 | S | 39.9 | Very low | 41.2 | Very low | 52.6 Ų | 52.6 | 85.8 Ų | 85.8 | 37% | 0.368 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 8.4 | 167.9 | -175.5 | 0 | 0 | 0 | 0 | 112.7 | I1521 S1522 N1526 | I1521-S1524 VanDerWaalsContact O-CB 3.27Å; I1521-S1524 WeakPolarHBondContact O-CB 3.36Å; I1521-S1524 PolarHBondContact O-N 3.32Å; S1522-S1524 VanDerWaalsContact C-N 3.28Å; S1522-S1524 PolarHBondContact O-N 3.32Å; S1522-S1524 VanDerWaalsContact O-N 3.11Å; S1524-N1526 VanDerWaalsContact C-N 3.31Å; S1524-N1526 PolarHBondContact O-N 3.16Å |
| 1525 | E | 34.2 | Very low | 41 | Very low | 109.6 Ų | 109.6 | 86 Ų | 86 | 51% | 0.512 | 47% | 0.466 | S | S | . | . | trans | -100.4 | 86.2 | -174.3 | -71.3 | 177.7 | 175.4 | 0 | 0 | 111.9 | S1522 H1523 P1527 T1537 | S1522-E1525 WeakPolarHBondContact O-CB 3.37Å; S1522-E1525 VanDerWaalsContact O-CG 3.29Å; S1522-E1525 WeakPolarHBondContact O-CG 3.4Å; S1522-E1525 PolarHBondContact O-N 3.19Å; S1522-E1525 VanDerWaalsContact O-N 3.11Å; H1523-E1525 PolarHBondContact O-N 2.86Å; E1525-P1527 WeakPolarHBondContact O-CD 3.3Å; E1525-T1537 PolarHBondContact OE1-OG1 3.36Å; E1525-T1537 VanDerWaalsContact OE1-OG1 3.09Å | ||
| 1526 | N | 37.9 | Very low | 41.1 | Very low | 121.4 Ų | 121.4 | 84.3 Ų | 84.3 | 65% | 0.649 | 46% | 0.456 | S | S | * | . | trans | -100.4 | 116.8 | 152.7 | -82.4 | -38.3 | 0 | 0 | 0 | 107.6 | S1524 S1528 E1529 | S1524-N1526 VanDerWaalsContact C-N 3.31Å; S1524-N1526 PolarHBondContact O-N 3.16Å; N1526-S1528 PolarHBondContact O-N 3.21Å; N1526-S1528 VanDerWaalsContact O-N 3.12Å; N1526-E1529 PolarHBondContact O-N 2.99Å | ||
| 1527 | P | 37.8 | Very low | 41.1 | Very low | 117.8 Ų | 117.8 | 80.2 Ų | 80.2 | 77% | 0.765 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -66 | -15.2 | -169.4 | 23.3 | -32.9 | 0 | 0 | 0 | 114.6 | E1525 E1529 F1530 | E1525-P1527 WeakPolarHBondContact O-CD 3.3Å; P1527-E1529 VanDerWaalsContact C-N 3.26Å; P1527-E1529 PolarHBondContact O-N 3.1Å; P1527-F1530 PolarHBondContact O-N 2.8Å |
| 1528 | S | 40.7 | Very low | 41.1 | Very low | 110.4 Ų | 110.4 | 80.3 Ų | 80.3 | 77% | 0.772 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -79.4 | -12.1 | -178.1 | 57.3 | 0 | 0 | 0 | 0 | 115.4 | N1526 | N1526-S1528 PolarHBondContact O-N 3.21Å; N1526-S1528 VanDerWaalsContact O-N 3.12Å |
| 1529 | E | 39.4 | Very low | 41.5 | Very low | 131.4 Ų | 131.4 | 77.8 Ų | 77.8 | 61% | 0.614 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -111.6 | 18.6 | 179.4 | -69.1 | -167.8 | -177.7 | 0 | 0 | 113.6 | R1107 N1526 P1527 M1531 G1532 S1533 K1536 | R1107-E1529 IonicContact CZ-OE1 3.73Å; R1107-E1529 IonicContact NH2-OE1 2.97Å; R1107-E1529 PolarHBondContact NH2-OE1 2.88Å; R1107-E1529 IonicContact NH2-OE2 3.9Å; R1107-E1529 PolarHBondContact NH2-OE2 3.47Å; N1526-E1529 PolarHBondContact O-N 2.99Å; P1527-E1529 VanDerWaalsContact C-N 3.26Å; P1527-E1529 PolarHBondContact O-N 3.1Å; E1529-M1531 VanDerWaalsContact C-N 3.27Å; E1529-M1531 PolarHBondContact O-N 3.18Å; E1529-M1531 VanDerWaalsContact O-N 3.1Å; E1529-G1532 PolarHBondContact O-N 3.04Å; E1529-S1533 WeakPolarHBondContact O-CB 3.4Å; E1529-S1533 PolarHBondContact O-N 3.14Å; E1529-K1536 IonicContact OE2-NZ 3.28Å; E1529-K1536 PolarHBondContact OE2-NZ 2.94Å |
| 1530 | F | 32.5 | Very low | 42 | Very low | 128.8 Ų | 128.8 | 76.2 Ų | 76.2 | 57% | 0.565 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -55.9 | -35.8 | -168.3 | -163.4 | -102.3 | 0 | 0 | 0 | 114.6 | P1527 G1532 S1533 S1534 | P1527-F1530 PolarHBondContact O-N 2.8Å; F1530-G1532 VanDerWaalsContact C-N 3.3Å; F1530-G1532 PolarHBondContact O-N 3.13Å; F1530-S1533 PolarHBondContact O-N 3.19Å; F1530-S1533 VanDerWaalsContact O-N 3.07Å; F1530-S1533 PolarHBondContact O-OG 3.16Å; F1530-S1534 WeakPolarHBondContact O-CB 3.36Å; F1530-S1534 PolarHBondContact O-N 3.26Å; F1530-S1534 VanDerWaalsContact O-N 3.1Å |
| 1531 | M | 30.1 | Very low | 42.6 | Very low | 162.8 Ų | 162.8 | 73.3 Ų | 73.3 | 80% | 0.802 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -70.1 | -25.3 | -176.2 | -148.4 | 152.4 | 116.8 | 0 | 0 | 113.7 | E1529 S1534 | E1529-M1531 VanDerWaalsContact C-N 3.27Å; E1529-M1531 PolarHBondContact O-N 3.18Å; E1529-M1531 VanDerWaalsContact O-N 3.1Å; M1531-S1534 PolarHBondContact O-OG 2.92Å |
| 1532 | G | 35.7 | Very low | 43.1 | Very low | 47.8 Ų | 47.8 | 72.6 Ų | 72.6 | 49% | 0.493 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -101.6 | -11.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E1529 F1530 K1536 | E1529-G1532 PolarHBondContact O-N 3.04Å; F1530-G1532 VanDerWaalsContact C-N 3.3Å; F1530-G1532 PolarHBondContact O-N 3.13Å; G1532-K1536 WeakPolarHBondContact O-CD 3.34Å; G1532-K1536 VanDerWaalsContact O-CE 3.28Å; G1532-K1536 WeakPolarHBondContact O-CE 3.32Å; G1532-K1536 WeakPolarHBondContact O-CG 3.4Å |
| 1533 | S | 38.9 | Very low | 44.1 | Very low | 22.2 Ų | 22.2 | 71.8 Ų | 71.8 | 16% | 0.155 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -82.7 | -35.6 | -176.9 | 112.1 | 0 | 0 | 0 | 0 | 113 | E1529 F1530 A1535 K1536 T1537 | E1529-S1533 WeakPolarHBondContact O-CB 3.4Å; E1529-S1533 PolarHBondContact O-N 3.14Å; F1530-S1533 PolarHBondContact O-N 3.19Å; F1530-S1533 VanDerWaalsContact O-N 3.07Å; F1530-S1533 PolarHBondContact O-OG 3.16Å; S1533-A1535 VanDerWaalsContact C-N 3.32Å; S1533-A1535 PolarHBondContact O-N 2.91Å; S1533-A1535 VanDerWaalsContact O-N 3.16Å; S1533-K1536 CarbonylContact O-C 3.52Å; S1533-K1536 VanDerWaalsContact O-CA 3.27Å; S1533-K1536 WeakPolarHBondContact O-CA 3.33Å; S1533-K1536 VanDerWaalsContact O-CB 3.3Å; S1533-K1536 WeakPolarHBondContact O-CB 3.3Å; S1533-K1536 PolarHBondContact O-N 3.02Å; S1533-T1537 PolarHBondContact O-N 3.14Å; S1533-T1537 PolarHBondContact O-OG1 3.31Å |
| 1534 | S | 43 | Very low | 45.1 | Very low | 18 Ų | 18 | 66.9 Ų | 66.9 | 13% | 0.126 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -53.6 | -43.7 | -176.6 | 77 | 0 | 0 | 0 | 0 | 114.1 | F1530 M1531 K1536 T1537 L1538 N1912 Y1915 | F1530-S1534 WeakPolarHBondContact O-CB 3.36Å; F1530-S1534 PolarHBondContact O-N 3.26Å; F1530-S1534 VanDerWaalsContact O-N 3.1Å; M1531-S1534 PolarHBondContact O-OG 2.92Å; S1534-K1536 VanDerWaalsContact C-N 3.35Å; S1534-K1536 PolarHBondContact O-N 3.09Å; S1534-T1537 WeakPolarHBondContact O-CB 3.46Å; S1534-T1537 PolarHBondContact O-N 3.21Å; S1534-T1537 VanDerWaalsContact O-N 3.15Å; S1534-L1538 VanDerWaalsContact O-CB 3.3Å; S1534-L1538 WeakPolarHBondContact O-CB 3.31Å; S1534-L1538 WeakPolarHBondContact O-CG 3.31Å; S1534-L1538 PolarHBondContact O-N 2.94Å; S1534-N1912 WeakPolarHBondContact CB-OD1 3.39Å; S1534-Y1915 WeakPolarHBondContact OG-CD2 3.49Å; S1534-Y1915 VanDerWaalsContact OG-CE2 3.25Å; S1534-Y1915 WeakPolarHBondContact OG-CE2 3.31Å; S1534-Y1915 PolarHBondContact OG-OH 2.95Å |
| 1535 | A | 44.8 | Very low | 46.5 | Very low | 62.2 Ų | 62.2 | 65 Ų | 65 | 51% | 0.514 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.9 | -31.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1533 G1539 | S1533-A1535 VanDerWaalsContact C-N 3.32Å; S1533-A1535 PolarHBondContact O-N 2.91Å; S1533-A1535 VanDerWaalsContact O-N 3.16Å; A1535-G1539 PolarHBondContact O-N 3.16Å; A1535-G1539 VanDerWaalsContact O-N 3.1Å |
| 1536 | K | 47 | Very low | 48.7 | Very low | 105.4 Ų | 105.4 | 59.8 Ų | 59.8 | 46% | 0.458 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -74.3 | -43.2 | 173.9 | -56.6 | 175.1 | -174.6 | 171.4 | 0 | 110.8 | Y1368 E1529 G1532 S1533 S1534 L1538 G1539 T1540 | Y1368-K1536 PolarHBondContact OH-NZ 3.3Å; E1529-K1536 IonicContact OE2-NZ 3.28Å; E1529-K1536 PolarHBondContact OE2-NZ 2.94Å; G1532-K1536 WeakPolarHBondContact O-CD 3.34Å; G1532-K1536 VanDerWaalsContact O-CE 3.28Å; G1532-K1536 WeakPolarHBondContact O-CE 3.32Å; G1532-K1536 WeakPolarHBondContact O-CG 3.4Å; S1533-K1536 CarbonylContact O-C 3.52Å; S1533-K1536 VanDerWaalsContact O-CA 3.27Å; S1533-K1536 WeakPolarHBondContact O-CA 3.33Å; S1533-K1536 VanDerWaalsContact O-CB 3.3Å; S1533-K1536 WeakPolarHBondContact O-CB 3.3Å; S1533-K1536 PolarHBondContact O-N 3.02Å; S1534-K1536 VanDerWaalsContact C-N 3.35Å; S1534-K1536 PolarHBondContact O-N 3.09Å; K1536-L1538 VanDerWaalsContact C-N 3.32Å; K1536-L1538 PolarHBondContact O-N 3.33Å; K1536-G1539 CarbonylContact O-C 3.49Å; K1536-G1539 WeakPolarHBondContact O-CA 3.3Å; K1536-G1539 PolarHBondContact O-N 3.3Å; K1536-T1540 WeakPolarHBondContact O-CB 3.29Å; K1536-T1540 PolarHBondContact O-N 2.91Å; K1536-T1540 PolarHBondContact O-OG1 3.19Å |
| 1537 | T | 48.5 | Very low | 50.7 | Low | 23.8 Ų | 23.8 | 54.2 Ų | 54.2 | 15% | 0.146 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60 | -45.7 | 175.9 | -51.3 | 0 | 0 | 0 | 0 | 111 | I1521 E1525 S1533 S1534 G1539 T1540 L1541 | I1521-T1537 HydrophobicContact CG1-CG2 4.45Å; I1521-T1537 HydrophobicContact CG2-CG2 4.21Å; E1525-T1537 PolarHBondContact OE1-OG1 3.36Å; E1525-T1537 VanDerWaalsContact OE1-OG1 3.09Å; S1533-T1537 PolarHBondContact O-N 3.14Å; S1533-T1537 PolarHBondContact O-OG1 3.31Å; S1534-T1537 WeakPolarHBondContact O-CB 3.46Å; S1534-T1537 PolarHBondContact O-N 3.21Å; S1534-T1537 VanDerWaalsContact O-N 3.15Å; T1537-G1539 VanDerWaalsContact C-N 3.31Å; T1537-G1539 PolarHBondContact O-N 3.1Å; T1537-T1540 VanDerWaalsContact CA-OG1 3.31Å; T1537-T1540 WeakPolarHBondContact CA-OG1 3.38Å; T1537-T1540 WeakPolarHBondContact O-CB 3.34Å; T1537-T1540 PolarHBondContact O-N 3.25Å; T1537-T1540 PolarHBondContact O-OG1 2.96Å; T1537-L1541 HydrophobicContact CG2-CD1 4.27Å; T1537-L1541 WeakPolarHBondContact O-CB 3.28Å; T1537-L1541 WeakPolarHBondContact O-CD1 3.49Å; T1537-L1541 VanDerWaalsContact O-CG 3.23Å; T1537-L1541 WeakPolarHBondContact O-CG 3.31Å; T1537-L1541 PolarHBondContact O-N 3.09Å |
| 1538 | L | 48.2 | Very low | 52.7 | Low | 33.4 Ų | 33.4 | 49.3 Ų | 49.3 | 18% | 0.175 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63 | -41.6 | 173.7 | -70.3 | 169.9 | 0 | 0 | 0 | 111.9 | S1534 K1536 T1540 L1541 F1542 W1881 Y1915 L1919 | S1534-L1538 VanDerWaalsContact O-CB 3.3Å; S1534-L1538 WeakPolarHBondContact O-CB 3.31Å; S1534-L1538 WeakPolarHBondContact O-CG 3.31Å; S1534-L1538 PolarHBondContact O-N 2.94Å; K1536-L1538 VanDerWaalsContact C-N 3.32Å; K1536-L1538 PolarHBondContact O-N 3.33Å; L1538-T1540 VanDerWaalsContact C-N 3.3Å; L1538-T1540 PolarHBondContact O-N 3.3Å; L1538-L1541 HydrophobicContact CD2-CD1 4.31Å; L1538-L1541 HydrophobicContact CD2-CD2 4.22Å; L1538-L1541 CarbonylContact O-C 3.53Å; L1538-L1541 WeakPolarHBondContact O-CB 3.46Å; L1538-L1541 PolarHBondContact O-N 3.07Å; L1538-L1541 VanDerWaalsContact O-N 3.15Å; L1538-F1542 WeakPolarHBondContact O-CB 3.42Å; L1538-F1542 VanDerWaalsContact O-CD2 3.32Å; L1538-F1542 WeakPolarHBondContact O-CD2 3.27Å; L1538-F1542 WeakPolarHBondContact O-CG 3.49Å; L1538-F1542 PolarHBondContact O-N 3.05Å; L1538-F1542 VanDerWaalsContact O-N 3.09Å; L1538-W1881 HydrophobicContact CD2-CZ3 4.34Å; L1538-Y1915 HydrophobicContact CD1-CD2 4.14Å; L1538-Y1915 HydrophobicContact CD1-CG 3.96Å; L1538-L1919 HydrophobicContact CB-CD1 4.29Å; L1538-L1919 HydrophobicContact CB-CD2 3.92Å; L1538-L1919 HydrophobicContact CD1-CD1 3.81Å; L1538-L1919 HydrophobicContact CD1-CD2 3.86Å; L1538-L1919 HydrophobicContact CD2-CD1 4.05Å; L1538-L1919 HydrophobicContact CD2-CD2 4.14Å; L1538-L1919 HydrophobicContact CG-CD1 4.38Å; L1538-L1919 HydrophobicContact CG-CD2 4.28Å |
| 1539 | G | 52.7 | Low | 54.7 | Low | 26.2 Ų | 26.2 | 45.2 Ų | 45.2 | 27% | 0.27 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58 | -43.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1535 K1536 T1537 F1542 V1543 | A1535-G1539 PolarHBondContact O-N 3.16Å; A1535-G1539 VanDerWaalsContact O-N 3.1Å; K1536-G1539 CarbonylContact O-C 3.49Å; K1536-G1539 WeakPolarHBondContact O-CA 3.3Å; K1536-G1539 PolarHBondContact O-N 3.3Å; T1537-G1539 VanDerWaalsContact C-N 3.31Å; T1537-G1539 PolarHBondContact O-N 3.1Å; G1539-F1542 WeakPolarHBondContact O-CB 3.11Å; G1539-F1542 PolarHBondContact O-N 3.19Å; G1539-V1543 VanDerWaalsContact O-CG2 3.26Å; G1539-V1543 WeakPolarHBondContact O-CG2 3.41Å; G1539-V1543 PolarHBondContact O-N 3.07Å; G1539-V1543 VanDerWaalsContact O-N 3.1Å |
| 1540 | T | 54.3 | Low | 57.1 | Low | 47.6 Ų | 47.6 | 39 Ų | 39 | 29% | 0.292 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.8 | -41.4 | 175.3 | -19 | 0 | 0 | 0 | 0 | 112.1 | F1520 I1521 K1536 T1537 L1538 F1542 V1543 V1544 | F1520-T1540 HydrophobicContact CD1-CG2 3.56Å; F1520-T1540 VanDerWaalsContact CD1-CG2 3.5Å; F1520-T1540 HydrophobicContact CE1-CG2 3.42Å; F1520-T1540 HydrophobicContact CZ-CG2 4.31Å; I1521-T1540 HydrophobicContact CG1-CG2 4.37Å; K1536-T1540 WeakPolarHBondContact O-CB 3.29Å; K1536-T1540 PolarHBondContact O-N 2.91Å; K1536-T1540 PolarHBondContact O-OG1 3.19Å; T1537-T1540 VanDerWaalsContact CA-OG1 3.31Å; T1537-T1540 WeakPolarHBondContact CA-OG1 3.38Å; T1537-T1540 WeakPolarHBondContact O-CB 3.34Å; T1537-T1540 PolarHBondContact O-N 3.25Å; T1537-T1540 PolarHBondContact O-OG1 2.96Å; L1538-T1540 VanDerWaalsContact C-N 3.3Å; L1538-T1540 PolarHBondContact O-N 3.3Å; T1540-F1542 VanDerWaalsContact C-N 3.31Å; T1540-F1542 PolarHBondContact O-N 3.22Å; T1540-V1543 WeakPolarHBondContact O-CB 3.45Å; T1540-V1543 PolarHBondContact O-N 3.3Å; T1540-V1543 VanDerWaalsContact O-N 3.15Å; T1540-V1544 VanDerWaalsContact O-CG2 3.32Å; T1540-V1544 WeakPolarHBondContact O-CG2 3.27Å; T1540-V1544 PolarHBondContact O-N 3.22Å; T1540-V1544 VanDerWaalsContact O-N 3.09Å |
| 1541 | L | 55.5 | Low | 59.8 | Low | 26.4 Ų | 26.4 | 33.1 Ų | 33.1 | 14% | 0.138 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.6 | -41.4 | 174.6 | -113.4 | 125.6 | 0 | 0 | 0 | 111.5 | I1521 T1537 L1538 V1543 V1544 S1545 F1885 L1907 | I1521-L1541 HydrophobicContact CD1-CD2 4.23Å; T1537-L1541 HydrophobicContact CG2-CD1 4.27Å; T1537-L1541 WeakPolarHBondContact O-CB 3.28Å; T1537-L1541 WeakPolarHBondContact O-CD1 3.49Å; T1537-L1541 VanDerWaalsContact O-CG 3.23Å; T1537-L1541 WeakPolarHBondContact O-CG 3.31Å; T1537-L1541 PolarHBondContact O-N 3.09Å; L1538-L1541 HydrophobicContact CD2-CD1 4.31Å; L1538-L1541 HydrophobicContact CD2-CD2 4.22Å; L1538-L1541 CarbonylContact O-C 3.53Å; L1538-L1541 WeakPolarHBondContact O-CB 3.46Å; L1538-L1541 PolarHBondContact O-N 3.07Å; L1538-L1541 VanDerWaalsContact O-N 3.15Å; L1541-V1543 VanDerWaalsContact C-N 3.33Å; L1541-V1543 PolarHBondContact O-N 3.26Å; L1541-V1544 CarbonylContact O-C 3.55Å; L1541-V1544 WeakPolarHBondContact O-CA 3.4Å; L1541-V1544 WeakPolarHBondContact O-CB 3.35Å; L1541-V1544 PolarHBondContact O-N 3.22Å; L1541-V1544 VanDerWaalsContact O-N 3.09Å; L1541-S1545 VanDerWaalsContact O-CB 3.25Å; L1541-S1545 WeakPolarHBondContact O-CB 3.44Å; L1541-S1545 PolarHBondContact O-N 3.16Å; L1541-S1545 PolarHBondContact O-OG 2.99Å; L1541-S1545 VanDerWaalsContact O-OG 3.09Å; L1541-F1885 HydrophobicContact CB-CE1 3.67Å; L1541-F1885 HydrophobicContact CB-CE2 4.49Å; L1541-F1885 HydrophobicContact CB-CZ 3.67Å; L1541-F1885 HydrophobicContact CD2-CB 4.48Å; L1541-F1885 HydrophobicContact CD2-CD1 3.77Å; L1541-F1885 HydrophobicContact CD2-CD2 3.87Å; L1541-F1885 HydrophobicContact CD2-CE1 3.75Å; L1541-F1885 HydrophobicContact CD2-CE2 3.45Å; L1541-F1885 VanDerWaalsContact CD2-CE2 3.45Å; L1541-F1885 HydrophobicContact CD2-CG 4.14Å; L1541-F1885 HydrophobicContact CD2-CZ 4.21Å; L1541-F1885 HydrophobicContact CG-CD2 4.35Å; L1541-F1885 HydrophobicContact CG-CE1 4.28Å; L1541-F1885 HydrophobicContact CG-CE2 4.15Å; L1541-F1885 HydrophobicContact CG-CZ 4.37Å; L1541-F1885 WeakPolarHBondContact O-CE1 3.3Å; L1541-L1907 HydrophobicContact CD2-CD2 4.4Å |
| 1542 | F | 60.2 | Low | 62.5 | Low | 20.6 Ų | 20.6 | 26.4 Ų | 26.4 | 9% | 0.09 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.4 | -35 | 176 | -94 | -77.7 | 0 | 0 | 0 | 113.9 | Y1457 L1538 G1539 T1540 V1544 S1545 W1546 H1549 W1881 L1919 Y1923 | Y1457-F1542 HydrophobicContact CD2-CB 3.79Å; Y1457-F1542 AromaticContact CD2-CD1 3.79Å; Y1457-F1542 HydrophobicContact CD2-CD1 4.23Å; Y1457-F1542 HydrophobicContact CD2-CG 4.27Å; Y1457-F1542 HydrophobicContact CE2-CB 3.64Å; Y1457-F1542 VanDerWaalsContact CE2-CB 3.45Å; Y1457-F1542 AromaticContact CE2-CD1 3.87Å; Y1457-F1542 HydrophobicContact CE2-CD1 3.92Å; Y1457-F1542 AromaticContact CE2-CD2 3.99Å; Y1457-F1542 HydrophobicContact CE2-CD2 4.11Å; Y1457-F1542 AromaticContact CE2-CG 3.72Å; Y1457-F1542 HydrophobicContact CE2-CG 3.93Å; L1538-F1542 WeakPolarHBondContact O-CB 3.42Å; L1538-F1542 VanDerWaalsContact O-CD2 3.32Å; L1538-F1542 WeakPolarHBondContact O-CD2 3.27Å; L1538-F1542 WeakPolarHBondContact O-CG 3.49Å; L1538-F1542 PolarHBondContact O-N 3.05Å; L1538-F1542 VanDerWaalsContact O-N 3.09Å; G1539-F1542 WeakPolarHBondContact O-CB 3.11Å; G1539-F1542 PolarHBondContact O-N 3.19Å; T1540-F1542 VanDerWaalsContact C-N 3.31Å; T1540-F1542 PolarHBondContact O-N 3.22Å; F1542-V1544 PolarHBondContact O-N 3.14Å; F1542-V1544 VanDerWaalsContact O-N 3.15Å; F1542-S1545 CarbonylContact O-C 3.59Å; F1542-S1545 PolarHBondContact O-N 3.31Å; F1542-S1545 VanDerWaalsContact O-N 3.12Å; F1542-W1546 WeakPolarHBondContact O-CA 3.28Å; F1542-W1546 WeakPolarHBondContact O-CB 3.49Å; F1542-W1546 PolarHBondContact O-N 3.09Å; F1542-W1546 VanDerWaalsContact O-N 3.13Å; F1542-H1549 AromaticContact CD1-CE1 3.84Å; F1542-H1549 AromaticContact CD1-ND1 3.96Å; F1542-H1549 AromaticContact CE1-CD2 3.86Å; F1542-H1549 AromaticContact CE1-CE1 3.8Å; F1542-H1549 AromaticContact CE1-ND1 3.99Å; F1542-H1549 AromaticContact CE1-NE2 3.61Å; F1542-H1549 AromaticContact CE2-CD2 3.9Å; F1542-H1549 AromaticContact CE2-NE2 3.6Å; F1542-H1549 AromaticContact CZ-CD2 3.49Å; F1542-H1549 VanDerWaalsContact CZ-CD2 3.49Å; F1542-H1549 WeakPolarHBondContact CZ-CD2 3.16Å; F1542-H1549 AromaticContact CZ-CG 3.98Å; F1542-H1549 AromaticContact CZ-NE2 3.72Å; F1542-W1881 AromaticContact CD1-CH2 3.96Å; F1542-W1881 HydrophobicContact CD1-CH2 3.96Å; F1542-W1881 HydrophobicContact CD1-CZ2 4.29Å; F1542-W1881 HydrophobicContact CD1-CZ3 4.39Å; F1542-W1881 HydrophobicContact CD2-CE3 4.32Å; F1542-W1881 AromaticContact CD2-CH2 3.84Å; F1542-W1881 HydrophobicContact CD2-CH2 4.14Å; F1542-W1881 HydrophobicContact CD2-CZ2 4.35Å; F1542-W1881 AromaticContact CD2-CZ3 3.82Å; F1542-W1881 HydrophobicContact CD2-CZ3 3.82Å; F1542-W1881 AromaticContact CE1-CH2 2.99Å; F1542-W1881 HydrophobicContact CE1-CH2 2.99Å; F1542-W1881 AromaticContact CE1-CZ2 3.19Å; F1542-W1881 HydrophobicContact CE1-CZ2 3.63Å; F1542-W1881 AromaticContact CE1-CZ3 3.8Å; F1542-W1881 HydrophobicContact CE1-CZ3 3.8Å; F1542-W1881 AromaticContact CE2-CD2 3.91Å; F1542-W1881 HydrophobicContact CE2-CD2 3.91Å; F1542-W1881 AromaticContact CE2-CE2 3.63Å; F1542-W1881 AromaticContact CE2-CE3 3.83Å; F1542-W1881 HydrophobicContact CE2-CE3 3.83Å; F1542-W1881 AromaticContact CE2-CH2 3.41Å; F1542-W1881 HydrophobicContact CE2-CH2 3.41Å; F1542-W1881 AromaticContact CE2-CZ2 3.3Å; F1542-W1881 HydrophobicContact CE2-CZ2 3.3Å; F1542-W1881 AromaticContact CE2-CZ3 3.49Å; F1542-W1881 HydrophobicContact CE2-CZ3 3.85Å; F1542-W1881 VanDerWaalsContact CE2-CZ3 3.49Å; F1542-W1881 AromaticContact CZ-CH2 3.36Å; F1542-W1881 HydrophobicContact CZ-CH2 3.61Å; F1542-W1881 AromaticContact CZ-CZ2 3.63Å; F1542-W1881 HydrophobicContact CZ-CZ2 3.63Å; F1542-W1881 VanDerWaalsContact CZ-CZ2 3.42Å; F1542-W1881 AromaticContact CZ-CZ3 3.82Å; F1542-W1881 HydrophobicContact CZ-CZ3 3.82Å; F1542-L1919 HydrophobicContact CE2-CD1 4.05Å; F1542-L1919 HydrophobicContact CE2-CD2 3.41Å; F1542-L1919 VanDerWaalsContact CE2-CD2 3.41Å; F1542-L1919 HydrophobicContact CE2-CG 3.65Å; F1542-L1919 HydrophobicContact CZ-CD2 3.44Å; F1542-L1919 VanDerWaalsContact CZ-CD2 3.44Å; F1542-L1919 HydrophobicContact CZ-CG 3.71Å; F1542-Y1923 HydrophobicContact CD1-CD2 4.31Å; F1542-Y1923 HydrophobicContact CD1-CE1 4.15Å; F1542-Y1923 AromaticContact CD1-CE2 3.59Å; F1542-Y1923 HydrophobicContact CD1-CE2 3.59Å; F1542-Y1923 VanDerWaalsContact CD1-CE2 3.49Å; F1542-Y1923 AromaticContact CD1-CZ 3.61Å; F1542-Y1923 VanDerWaalsContact CD1-CZ 3.48Å; F1542-Y1923 WeakPolarHBondContact CD1-OH 3.13Å; F1542-Y1923 HydrophobicContact CD2-CE2 4.44Å; F1542-Y1923 AromaticContact CE1-CD1 3.98Å; F1542-Y1923 HydrophobicContact CE1-CD1 4.03Å; F1542-Y1923 AromaticContact CE1-CD2 3.27Å; F1542-Y1923 HydrophobicContact CE1-CD2 3.27Å; F1542-Y1923 VanDerWaalsContact CE1-CD2 3.43Å; F1542-Y1923 AromaticContact CE1-CE1 3.68Å; F1542-Y1923 HydrophobicContact CE1-CE1 3.68Å; F1542-Y1923 VanDerWaalsContact CE1-CE1 3.46Å; F1542-Y1923 AromaticContact CE1-CE2 2.96Å; F1542-Y1923 HydrophobicContact CE1-CE2 3.39Å; F1542-Y1923 AromaticContact CE1-CG 3.82Å; F1542-Y1923 HydrophobicContact CE1-CG 3.82Å; F1542-Y1923 AromaticContact CE1-CZ 3.35Å; F1542-Y1923 HydrophobicContact CE2-CD2 4.38Å; F1542-Y1923 AromaticContact CE2-CE2 3.93Å; F1542-Y1923 HydrophobicContact CE2-CE2 4.05Å; F1542-Y1923 HydrophobicContact CG-CE2 4.33Å; F1542-Y1923 HydrophobicContact CZ-CD1 4.08Å; F1542-Y1923 AromaticContact CZ-CD2 3.27Å; F1542-Y1923 HydrophobicContact CZ-CD2 3.64Å; F1542-Y1923 AromaticContact CZ-CE1 3.96Å; F1542-Y1923 HydrophobicContact CZ-CE1 3.96Å; F1542-Y1923 AromaticContact CZ-CE2 3.19Å; F1542-Y1923 HydrophobicContact CZ-CE2 3.54Å; F1542-Y1923 HydrophobicContact CZ-CG 4.18Å; F1542-Y1923 AromaticContact CZ-CZ 3.88Å |
| 1543 | V | 62.4 | Low | 65.1 | Low | 17.6 Ų | 17.6 | 24.4 Ų | 24.4 | 11% | 0.107 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.9 | -20.1 | 173.5 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | H1454 Y1457 G1539 T1540 L1541 W1546 | H1454-V1543 WeakPolarHBondContact ND1-CG2 3.46Å; Y1457-V1543 HydrophobicContact CD1-CG2 4.46Å; Y1457-V1543 HydrophobicContact CG-CG2 4.35Å; G1539-V1543 VanDerWaalsContact O-CG2 3.26Å; G1539-V1543 WeakPolarHBondContact O-CG2 3.41Å; G1539-V1543 PolarHBondContact O-N 3.07Å; G1539-V1543 VanDerWaalsContact O-N 3.1Å; T1540-V1543 WeakPolarHBondContact O-CB 3.45Å; T1540-V1543 PolarHBondContact O-N 3.3Å; T1540-V1543 VanDerWaalsContact O-N 3.15Å; L1541-V1543 VanDerWaalsContact C-N 3.33Å; L1541-V1543 PolarHBondContact O-N 3.26Å; V1543-W1546 VanDerWaalsContact O-CD1 3.28Å |
| 1544 | V | 63.1 | Low | 67.6 | Low | 19.2 Ų | 19.2 | 23.4 Ų | 23.4 | 12% | 0.116 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -89.8 | -37.2 | 174.5 | -177.6 | 0 | 0 | 0 | 0 | 112.6 | F1449 W1507 L1511 L1517 T1540 L1541 F1542 W1546 P1547 I1888 | F1449-V1544 HydrophobicContact CZ-CG1 4.28Å; F1449-V1544 HydrophobicContact CZ-CG2 4.29Å; W1507-V1544 WeakPolarHBondContact CH2-O 3.44Å; W1507-V1544 HydrophobicContact CZ3-CG1 4.48Å; W1507-V1544 WeakPolarHBondContact CZ3-O 3.46Å; W1507-V1544 PolarHBondContact NE1-O 3.07Å; L1511-V1544 HydrophobicContact CD1-CG1 4.03Å; L1511-V1544 HydrophobicContact CD2-CG1 4.18Å; L1511-V1544 HydrophobicContact CD2-CG2 4.19Å; L1511-V1544 HydrophobicContact CG-CG1 4.5Å; L1517-V1544 HydrophobicContact CD1-CG1 4.02Å; L1517-V1544 HydrophobicContact CD1-CG2 4.14Å; L1517-V1544 HydrophobicContact CD2-CG1 4.31Å; L1517-V1544 HydrophobicContact CD2-CG2 4.45Å; T1540-V1544 VanDerWaalsContact O-CG2 3.32Å; T1540-V1544 WeakPolarHBondContact O-CG2 3.27Å; T1540-V1544 PolarHBondContact O-N 3.22Å; T1540-V1544 VanDerWaalsContact O-N 3.09Å; L1541-V1544 CarbonylContact O-C 3.55Å; L1541-V1544 WeakPolarHBondContact O-CA 3.4Å; L1541-V1544 WeakPolarHBondContact O-CB 3.35Å; L1541-V1544 PolarHBondContact O-N 3.22Å; L1541-V1544 VanDerWaalsContact O-N 3.09Å; F1542-V1544 PolarHBondContact O-N 3.14Å; F1542-V1544 VanDerWaalsContact O-N 3.15Å; V1544-W1546 PolarHBondContact O-N 3.49Å; V1544-P1547 VanDerWaalsContact O-CD 3.26Å; V1544-P1547 WeakPolarHBondContact O-CD 3.3Å; V1544-I1888 HydrophobicContact CB-CD1 4.22Å; V1544-I1888 HydrophobicContact CG1-CD1 3.53Å; V1544-I1888 VanDerWaalsContact CG1-CD1 3.44Å; V1544-I1888 HydrophobicContact CG1-CG1 4.43Å; V1544-I1888 HydrophobicContact CG1-CG2 4.1Å |
| 1545 | S | 69.5 | Low | 69.9 | Low | 12.6 Ų | 12.6 | 22.8 Ų | 22.8 | 9% | 0.088 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -100.3 | 5 | -172.2 | 17.8 | 0 | 0 | 0 | 0 | 115.2 | L1541 F1542 P1547 E1548 H1549 S1884 F1885 | L1541-S1545 VanDerWaalsContact O-CB 3.25Å; L1541-S1545 WeakPolarHBondContact O-CB 3.44Å; L1541-S1545 PolarHBondContact O-N 3.16Å; L1541-S1545 PolarHBondContact O-OG 2.99Å; L1541-S1545 VanDerWaalsContact O-OG 3.09Å; F1542-S1545 CarbonylContact O-C 3.59Å; F1542-S1545 PolarHBondContact O-N 3.31Å; F1542-S1545 VanDerWaalsContact O-N 3.12Å; S1545-P1547 VanDerWaalsContact C-N 3.32Å; S1545-P1547 VanDerWaalsContact O-CD 3.26Å; S1545-P1547 WeakPolarHBondContact O-CD 3.25Å; S1545-P1547 VanDerWaalsContact O-N 3.13Å; S1545-E1548 WeakPolarHBondContact CA-OE2 3.45Å; S1545-E1548 PolarHBondContact O-N 3.15Å; S1545-H1549 PolarHBondContact O-CD2 3.11Å; S1545-H1549 PolarHBondContact O-N 3.07Å; S1545-H1549 PolarHBondContact O-ND1 3.2Å; S1545-H1549 PolarHBondContact OG-CE1 2.85Å; S1545-H1549 PolarHBondContact OG-ND1 3.29Å; S1545-S1884 WeakPolarHBondContact CB-OG 3.45Å; S1545-S1884 PolarHBondContact OG-OG 2.97Å; S1545-F1885 WeakPolarHBondContact OG-CE1 3.31Å |
| 1546 | W | 79.4 | Confident | 72.1 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -53 | -33.8 | 179.6 | 76 | -90.1 | 0 | 0 | 0 | 115.7 | L1426 I1430 G1456 T1460 I1503 W1507 F1542 V1543 V1544 E1548 H1549 L1550 | L1426-W1546 HydrophobicContact CD1-CH2 3.96Å; L1426-W1546 HydrophobicContact CD1-CZ2 4.23Å; L1426-W1546 HydrophobicContact CD2-CE3 4.5Å; L1426-W1546 HydrophobicContact CD2-CH2 3.6Å; L1426-W1546 HydrophobicContact CD2-CZ2 4.23Å; L1426-W1546 HydrophobicContact CD2-CZ3 3.72Å; L1426-W1546 HydrophobicContact CG-CH2 4.16Å; I1430-W1546 HydrophobicContact CD1-CH2 4.06Å; I1430-W1546 HydrophobicContact CD1-CZ2 4.21Å; G1456-W1546 VanDerWaalsContact C-CE3 3.48Å; G1456-W1546 VanDerWaalsContact CA-CD2 3.45Å; G1456-W1546 VanDerWaalsContact CA-CE3 3.47Å; T1460-W1546 PolarHBondContact OG1-O 3.06Å; I1503-W1546 HydrophobicContact CD1-CH2 4.01Å; I1503-W1546 HydrophobicContact CD1-CZ3 4.31Å; I1503-W1546 HydrophobicContact CG1-CH2 4.49Å; W1507-W1546 HydrophobicContact CD2-CZ2 4.28Å; W1507-W1546 AromaticContact CD2-NE1 3.94Å; W1507-W1546 AromaticContact CE2-NE1 3.48Å; W1507-W1546 HydrophobicContact CE3-CH2 4.36Å; W1507-W1546 AromaticContact CE3-CZ2 3.94Å; W1507-W1546 HydrophobicContact CE3-CZ2 4.03Å; W1507-W1546 AromaticContact CH2-CH2 3.44Å; W1507-W1546 HydrophobicContact CH2-CH2 3.44Å; W1507-W1546 VanDerWaalsContact CH2-CH2 3.44Å; W1507-W1546 AromaticContact CH2-CZ2 3.85Å; W1507-W1546 HydrophobicContact CH2-CZ2 4.2Å; W1507-W1546 HydrophobicContact CH2-CZ3 4.06Å; W1507-W1546 AromaticContact CH2-NE1 3.61Å; W1507-W1546 VanDerWaalsContact CH2-NE1 3.32Å; W1507-W1546 AromaticContact CZ2-CD1 3.81Å; W1507-W1546 AromaticContact CZ2-NE1 3.32Å; W1507-W1546 VanDerWaalsContact CZ2-NE1 3.26Å; W1507-W1546 HydrophobicContact CZ3-CD2 4.44Å; W1507-W1546 AromaticContact CZ3-CE2 3.85Å; W1507-W1546 HydrophobicContact CZ3-CE3 4.41Å; W1507-W1546 AromaticContact CZ3-CH2 3.28Å; W1507-W1546 HydrophobicContact CZ3-CH2 3.28Å; W1507-W1546 AromaticContact CZ3-CZ2 3.6Å; W1507-W1546 HydrophobicContact CZ3-CZ2 3.93Å; W1507-W1546 AromaticContact CZ3-CZ3 3.87Å; W1507-W1546 HydrophobicContact CZ3-CZ3 3.87Å; W1507-W1546 AromaticContact CZ3-NE1 3.82Å; W1507-W1546 AromaticContact NE1-NE1 3.87Å; F1542-W1546 WeakPolarHBondContact O-CA 3.28Å; F1542-W1546 WeakPolarHBondContact O-CB 3.49Å; F1542-W1546 PolarHBondContact O-N 3.09Å; F1542-W1546 VanDerWaalsContact O-N 3.13Å; V1543-W1546 VanDerWaalsContact O-CD1 3.28Å; V1544-W1546 PolarHBondContact O-N 3.49Å; W1546-E1548 PolarHBondContact O-N 3.23Å; W1546-H1549 PolarHBondContact O-N 2.93Å; W1546-L1550 HydrophobicContact CE3-CB 4.22Å; W1546-L1550 HydrophobicContact CE3-CD2 4.08Å; W1546-L1550 HydrophobicContact CZ3-CB 4.37Å; W1546-L1550 HydrophobicContact CZ3-CD2 3.6Å; W1546-L1550 VanDerWaalsContact O-CB 3.3Å; W1546-L1550 WeakPolarHBondContact O-CB 3.34Å; W1546-L1550 PolarHBondContact O-N 3.18Å |
| 1547 | P | 81.6 | Confident | 74.2 | Confident | 4 Ų | 4 | 15.3 Ų | 15.3 | 3% | 0.026 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.6 | -37.7 | -174.6 | -15.8 | 28.8 | 0 | 0 | 0 | 113 | I1503 T1504 W1507 V1544 S1545 H1549 L1550 Q1551 | I1503-P1547 HydrophobicContact CG2-CB 4.06Å; T1504-P1547 HydrophobicContact CG2-CB 4.07Å; W1507-P1547 HydrophobicContact CB-CG 4.09Å; W1507-P1547 VanDerWaalsContact CD1-CG 3.46Å; W1507-P1547 HydrophobicContact CD2-CG 4.05Å; W1507-P1547 HydrophobicContact CE3-CB 3.61Å; W1507-P1547 HydrophobicContact CE3-CG 3.58Å; W1507-P1547 HydrophobicContact CG-CG 3.71Å; W1507-P1547 HydrophobicContact CZ3-CB 3.46Å; W1507-P1547 VanDerWaalsContact CZ3-CB 3.46Å; W1507-P1547 HydrophobicContact CZ3-CG 3.49Å; W1507-P1547 VanDerWaalsContact CZ3-CG 3.49Å; V1544-P1547 VanDerWaalsContact O-CD 3.26Å; V1544-P1547 WeakPolarHBondContact O-CD 3.3Å; S1545-P1547 VanDerWaalsContact C-N 3.32Å; S1545-P1547 VanDerWaalsContact O-CD 3.26Å; S1545-P1547 WeakPolarHBondContact O-CD 3.25Å; S1545-P1547 VanDerWaalsContact O-N 3.13Å; P1547-H1549 VanDerWaalsContact C-N 3.32Å; P1547-L1550 PolarHBondContact O-N 3.19Å; P1547-Q1551 WeakPolarHBondContact O-CB 3.29Å; P1547-Q1551 WeakPolarHBondContact O-CG 3.2Å; P1547-Q1551 PolarHBondContact O-N 3.28Å; P1547-Q1551 VanDerWaalsContact O-N 3.09Å |
| 1548 | E | 79.7 | Confident | 76.3 | Confident | 14.2 Ų | 14.2 | 14.2 Ų | 14.2 | 7% | 0.066 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67 | -42.1 | 176.2 | -108.8 | 166.4 | -172.6 | 0 | 0 | 110.7 | T1504 K1508 S1545 W1546 L1550 Q1551 R1552 R1614 H1880 S1884 | T1504-E1548 HydrophobicContact CG2-CB 4.41Å; T1504-E1548 HydrophobicContact CG2-CG 3.68Å; K1508-E1548 WeakPolarHBondContact CE-OE1 3.33Å; K1508-E1548 IonicContact NZ-OE1 3.73Å; K1508-E1548 PolarHBondContact NZ-OE1 3.28Å; S1545-E1548 WeakPolarHBondContact CA-OE2 3.45Å; S1545-E1548 PolarHBondContact O-N 3.15Å; W1546-E1548 PolarHBondContact O-N 3.23Å; E1548-L1550 VanDerWaalsContact C-N 3.27Å; E1548-L1550 PolarHBondContact O-N 3.19Å; E1548-Q1551 WeakPolarHBondContact O-CB 3.42Å; E1548-Q1551 PolarHBondContact O-N 3.03Å; E1548-R1552 WeakPolarHBondContact O-CB 3.48Å; E1548-R1552 VanDerWaalsContact O-CG 3.26Å; E1548-R1552 WeakPolarHBondContact O-CG 3.42Å; E1548-R1552 PolarHBondContact O-N 3.03Å; E1548-R1552 VanDerWaalsContact O-N 3.14Å; E1548-R1614 VanDerWaalsContact CB-NH2 3.33Å; E1548-R1614 VanDerWaalsContact CD-CZ 3.49Å; E1548-R1614 VanDerWaalsContact CD-NE 3.32Å; E1548-R1614 VanDerWaalsContact OE1-CD 3.3Å; E1548-R1614 WeakPolarHBondContact OE1-CD 3.24Å; E1548-R1614 IonicContact OE1-CZ 2.99Å; E1548-R1614 IonicContact OE1-NE 3.52Å; E1548-R1614 PolarHBondContact OE1-NE 3.09Å; E1548-R1614 IonicContact OE1-NH1 2.98Å; E1548-R1614 PolarHBondContact OE1-NH1 3.15Å; E1548-R1614 IonicContact OE1-NH2 3.24Å; E1548-R1614 IonicContact OE2-CZ 3.94Å; E1548-R1614 IonicContact OE2-NE 3.54Å; E1548-R1614 PolarHBondContact OE2-NE 3.14Å; E1548-R1614 IonicContact OE2-NH1 3.74Å; E1548-R1614 IonicContact OE2-NH2 3.71Å; E1548-R1614 PolarHBondContact OE2-NH2 3.04Å; E1548-H1880 IonicContact OE1-CD2 3.84Å; E1548-S1884 VanDerWaalsContact OE2-CB 3.24Å; E1548-S1884 WeakPolarHBondContact OE2-CB 3.27Å; E1548-S1884 PolarHBondContact OE2-OG 2.98Å |
| 1549 | H | 83.2 | Confident | 78.4 | Confident | 23 Ų | 23 | 12.7 Ų | 12.7 | 11% | 0.106 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66.3 | -36.4 | 175.5 | -67.2 | 87.2 | 0 | 0 | 0 | 112.2 | T1460 F1542 S1545 W1546 P1547 R1552 S1553 W1881 Y1923 | T1460-H1549 HydrophobicContact CG2-CB 3.54Å; T1460-H1549 VanDerWaalsContact CG2-CB 3.46Å; F1542-H1549 AromaticContact CD1-CE1 3.84Å; F1542-H1549 AromaticContact CD1-ND1 3.96Å; F1542-H1549 AromaticContact CE1-CD2 3.86Å; F1542-H1549 AromaticContact CE1-CE1 3.8Å; F1542-H1549 AromaticContact CE1-ND1 3.99Å; F1542-H1549 AromaticContact CE1-NE2 3.61Å; F1542-H1549 AromaticContact CE2-CD2 3.9Å; F1542-H1549 AromaticContact CE2-NE2 3.6Å; F1542-H1549 AromaticContact CZ-CD2 3.49Å; F1542-H1549 VanDerWaalsContact CZ-CD2 3.49Å; F1542-H1549 WeakPolarHBondContact CZ-CD2 3.16Å; F1542-H1549 AromaticContact CZ-CG 3.98Å; F1542-H1549 AromaticContact CZ-NE2 3.72Å; S1545-H1549 PolarHBondContact O-CD2 3.11Å; S1545-H1549 PolarHBondContact O-N 3.07Å; S1545-H1549 PolarHBondContact O-ND1 3.2Å; S1545-H1549 PolarHBondContact OG-CE1 2.85Å; S1545-H1549 PolarHBondContact OG-ND1 3.29Å; W1546-H1549 PolarHBondContact O-N 2.93Å; P1547-H1549 VanDerWaalsContact C-N 3.32Å; H1549-R1552 PolarHBondContact O-N 3.22Å; H1549-S1553 VanDerWaalsContact O-CB 3.29Å; H1549-S1553 WeakPolarHBondContact O-CB 3.28Å; H1549-S1553 PolarHBondContact O-N 3.25Å; H1549-S1553 PolarHBondContact O-OG 3.13Å; H1549-W1881 AromaticContact CD2-NE1 3.81Å; H1549-W1881 AromaticContact CE1-CD1 3.65Å; H1549-W1881 VanDerWaalsContact CE1-CD1 3.45Å; H1549-W1881 AromaticContact CE1-NE1 3.61Å; H1549-W1881 AromaticContact NE2-CD1 3.39Å; H1549-W1881 AromaticContact NE2-NE1 3.09Å; H1549-W1881 PolarHBondContact NE2-NE1 3.12Å; H1549-Y1923 HydrophobicContact CB-CD1 4.3Å; H1549-Y1923 HydrophobicContact CB-CE1 3.81Å; H1549-Y1923 AromaticContact CD2-CD1 3.55Å; H1549-Y1923 AromaticContact CD2-CE1 3.8Å; H1549-Y1923 AromaticContact CG-CD1 3.98Å; H1549-Y1923 AromaticContact CG-CE1 3.73Å |
| 1550 | L | 88.6 | Confident | 80.1 | Confident | 1.4 Ų | 1.4 | 11.8 Ų | 11.8 | 1% | 0.007 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.1 | -47 | 175.3 | -175.2 | 60.2 | 0 | 0 | 0 | 111.1 | L1423 I1459 T1460 M1463 I1492 W1546 P1547 E1548 R1552 S1553 S1554 | L1423-L1550 HydrophobicContact CD1-CD2 3.94Å; I1459-L1550 HydrophobicContact CG2-CD1 3.94Å; I1459-L1550 HydrophobicContact CG2-CD2 4.46Å; T1460-L1550 HydrophobicContact CG2-CB 4.44Å; T1460-L1550 WeakPolarHBondContact OG1-CB 3.13Å; M1463-L1550 HydrophobicContact CB-CD1 4.4Å; M1463-L1550 HydrophobicContact CG-CD1 3.88Å; I1492-L1550 HydrophobicContact CD1-CD1 3.8Å; I1492-L1550 HydrophobicContact CD1-CD2 3.9Å; I1492-L1550 HydrophobicContact CD1-CG 4.11Å; I1492-L1550 HydrophobicContact CG1-CD2 4.12Å; I1492-L1550 HydrophobicContact CG1-CG 4.16Å; W1546-L1550 HydrophobicContact CE3-CB 4.22Å; W1546-L1550 HydrophobicContact CE3-CD2 4.08Å; W1546-L1550 HydrophobicContact CZ3-CB 4.37Å; W1546-L1550 HydrophobicContact CZ3-CD2 3.6Å; W1546-L1550 VanDerWaalsContact O-CB 3.3Å; W1546-L1550 WeakPolarHBondContact O-CB 3.34Å; W1546-L1550 PolarHBondContact O-N 3.18Å; P1547-L1550 PolarHBondContact O-N 3.19Å; E1548-L1550 VanDerWaalsContact C-N 3.27Å; E1548-L1550 PolarHBondContact O-N 3.19Å; L1550-R1552 VanDerWaalsContact C-N 3.33Å; L1550-R1552 PolarHBondContact O-N 3.23Å; L1550-S1553 WeakPolarHBondContact CA-OG 3.24Å; L1550-S1553 PolarHBondContact O-N 3.22Å; L1550-S1553 PolarHBondContact O-OG 3.1Å; L1550-S1554 VanDerWaalsContact O-CB 3.27Å; L1550-S1554 WeakPolarHBondContact O-CB 3.41Å; L1550-S1554 PolarHBondContact O-N 3.16Å; L1550-S1554 PolarHBondContact O-OG 3.36Å |
| 1551 | Q | 88.7 | Confident | 81.9 | Confident | 5.4 Ų | 5.4 | 9.6 Ų | 9.6 | 3% | 0.025 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -56.3 | -48.3 | 175 | -80 | -176.8 | -22.4 | 0 | 0 | 111.7 | I1492 S1496 S1502 I1503 T1504 P1547 E1548 S1553 S1554 L1555 F1613 | I1492-Q1551 HydrophobicContact CG2-CB 4.47Å; I1492-Q1551 HydrophobicContact CG2-CG 3.69Å; S1496-Q1551 PolarHBondContact OG-NE2 2.99Å; S1502-Q1551 PolarHBondContact OG-NE2 3.32Å; I1503-Q1551 HydrophobicContact CG2-CG 4.02Å; T1504-Q1551 VanDerWaalsContact CG2-OE1 3.26Å; P1547-Q1551 WeakPolarHBondContact O-CB 3.29Å; P1547-Q1551 WeakPolarHBondContact O-CG 3.2Å; P1547-Q1551 PolarHBondContact O-N 3.28Å; P1547-Q1551 VanDerWaalsContact O-N 3.09Å; E1548-Q1551 WeakPolarHBondContact O-CB 3.42Å; E1548-Q1551 PolarHBondContact O-N 3.03Å; Q1551-S1553 VanDerWaalsContact C-N 3.29Å; Q1551-S1553 PolarHBondContact O-N 2.97Å; Q1551-S1554 PolarHBondContact O-N 2.99Å; Q1551-S1554 PolarHBondContact O-OG 3.19Å; Q1551-L1555 WeakPolarHBondContact O-CG 3.23Å; Q1551-L1555 PolarHBondContact O-N 3.21Å; Q1551-L1555 VanDerWaalsContact O-N 3.12Å; Q1551-F1613 HydrophobicContact CB-CD1 4.34Å; Q1551-F1613 HydrophobicContact CB-CD2 4.29Å; Q1551-F1613 HydrophobicContact CB-CE1 3.84Å; Q1551-F1613 HydrophobicContact CB-CE2 3.82Å; Q1551-F1613 HydrophobicContact CB-CZ 4.24Å; Q1551-F1613 HydrophobicContact CG-CE1 4.08Å; Q1551-F1613 HydrophobicContact CG-CE2 4.27Å; Q1551-F1613 HydrophobicContact CG-CZ 4.49Å |
| 1552 | R | 88 | Confident | 83.6 | Confident | 22 Ų | 22 | 8.3 Ų | 8.3 | 8% | 0.083 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -63.7 | -42.3 | 177.9 | -70.7 | 179.8 | 88 | 111.5 | -3.7 | 112.4 | E1548 H1549 L1550 S1554 L1555 A1556 F1613 E1766 H1880 D1925 L1927 | E1548-R1552 WeakPolarHBondContact O-CB 3.48Å; E1548-R1552 VanDerWaalsContact O-CG 3.26Å; E1548-R1552 WeakPolarHBondContact O-CG 3.42Å; E1548-R1552 PolarHBondContact O-N 3.03Å; E1548-R1552 VanDerWaalsContact O-N 3.14Å; H1549-R1552 PolarHBondContact O-N 3.22Å; L1550-R1552 VanDerWaalsContact C-N 3.33Å; L1550-R1552 PolarHBondContact O-N 3.23Å; R1552-S1554 PolarHBondContact O-N 2.89Å; R1552-L1555 PolarHBondContact O-N 3.16Å; R1552-A1556 VanDerWaalsContact O-CB 3.25Å; R1552-A1556 WeakPolarHBondContact O-CB 3.29Å; R1552-A1556 PolarHBondContact O-N 3.17Å; R1552-F1613 HydrophobicContact CG-CE2 4.36Å; R1552-F1613 HydrophobicContact CG-CZ 4.09Å; R1552-E1766 IonicContact CZ-OE2 3.36Å; R1552-E1766 VanDerWaalsContact CZ-OE2 3.3Å; R1552-E1766 IonicContact NH1-OE2 3.77Å; R1552-E1766 PolarHBondContact NH1-OE2 3.24Å; R1552-E1766 IonicContact NH2-OE2 3.73Å; R1552-E1766 PolarHBondContact NH2-OE2 2.99Å; R1552-H1880 WeakPolarHBondContact CD-NE2 3.03Å; R1552-H1880 PolarHBondContact NH1-CD2 3.36Å; R1552-H1880 VanDerWaalsContact NH1-CD2 3.33Å; R1552-H1880 PolarHBondContact NH1-NE2 2.94Å; R1552-H1880 PolarHBondContact NH2-CE1 3.21Å; R1552-H1880 PolarHBondContact NH2-NE2 3.32Å; R1552-D1925 IonicContact CZ-OD2 3.32Å; R1552-D1925 IonicContact NE-OD1 3.18Å; R1552-D1925 IonicContact NE-OD2 3.59Å; R1552-D1925 PolarHBondContact NE-OD2 3.16Å; R1552-D1925 IonicContact NH2-OD1 3.76Å; R1552-D1925 IonicContact NH2-OD2 2.67Å; R1552-D1925 PolarHBondContact NH2-OD2 3.22Å; R1552-L1927 HydrophobicContact CB-CD1 3.8Å; R1552-L1927 HydrophobicContact CG-CD1 3.97Å |
| 1553 | S | 89.2 | Confident | 84.9 | Confident | 6 Ų | 6 | 7.4 Ų | 7.4 | 4% | 0.042 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -67.1 | -35.6 | 178.2 | 51.6 | 0 | 0 | 0 | 0 | 113.1 | M1463 I1464 V1467 H1549 L1550 Q1551 A1556 L1557 | M1463-S1553 WeakPolarHBondContact CB-OG 3.25Å; I1464-S1553 WeakPolarHBondContact CG1-OG 3.49Å; V1467-S1553 WeakPolarHBondContact CG2-O 3.28Å; H1549-S1553 VanDerWaalsContact O-CB 3.29Å; H1549-S1553 WeakPolarHBondContact O-CB 3.28Å; H1549-S1553 PolarHBondContact O-N 3.25Å; H1549-S1553 PolarHBondContact O-OG 3.13Å; L1550-S1553 WeakPolarHBondContact CA-OG 3.24Å; L1550-S1553 PolarHBondContact O-N 3.22Å; L1550-S1553 PolarHBondContact O-OG 3.1Å; Q1551-S1553 VanDerWaalsContact C-N 3.29Å; Q1551-S1553 PolarHBondContact O-N 2.97Å; S1553-A1556 PolarHBondContact O-N 3.16Å; S1553-L1557 WeakPolarHBondContact O-CB 3.31Å; S1553-L1557 PolarHBondContact O-N 3.11Å |
| 1554 | S | 91.8 | Very high | 86.1 | Confident | 1.2 Ų | 1.2 | 7.8 Ų | 7.8 | 1% | 0.008 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -65.7 | -44.2 | 173.8 | 164.8 | 0 | 0 | 0 | 0 | 112 | G1489 P1493 L1550 Q1551 R1552 L1557 L1558 | G1489-S1554 PolarHBondContact O-OG 3.26Å; P1493-S1554 WeakPolarHBondContact CD-OG 3.4Å; L1550-S1554 VanDerWaalsContact O-CB 3.27Å; L1550-S1554 WeakPolarHBondContact O-CB 3.41Å; L1550-S1554 PolarHBondContact O-N 3.16Å; L1550-S1554 PolarHBondContact O-OG 3.36Å; Q1551-S1554 PolarHBondContact O-N 2.99Å; Q1551-S1554 PolarHBondContact O-OG 3.19Å; R1552-S1554 PolarHBondContact O-N 2.89Å; S1554-L1557 PolarHBondContact O-N 3.16Å; S1554-L1558 WeakPolarHBondContact O-CB 3.3Å; S1554-L1558 PolarHBondContact O-N 3.1Å; S1554-L1558 VanDerWaalsContact O-N 3.12Å |
| 1555 | L | 91.6 | Very high | 87.3 | Confident | 6 Ų | 6 | 7.7 Ų | 7.7 | 3% | 0.031 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -62.9 | -45.5 | 173.2 | -71.2 | -177.8 | 0 | 0 | 0 | 111.3 | P1493 Q1551 R1552 L1557 L1558 G1559 F1613 A1653 L1654 C1657 W1767 L1927 | P1493-L1555 HydrophobicContact CG-CD2 4.24Å; Q1551-L1555 WeakPolarHBondContact O-CG 3.23Å; Q1551-L1555 PolarHBondContact O-N 3.21Å; Q1551-L1555 VanDerWaalsContact O-N 3.12Å; R1552-L1555 PolarHBondContact O-N 3.16Å; L1555-L1557 VanDerWaalsContact C-N 3.29Å; L1555-L1557 PolarHBondContact O-N 3.18Å; L1555-L1558 PolarHBondContact O-N 3.18Å; L1555-L1558 VanDerWaalsContact O-N 3.15Å; L1555-G1559 PolarHBondContact O-N 3.25Å; L1555-F1613 HydrophobicContact CD1-CD1 4.14Å; L1555-F1613 HydrophobicContact CD1-CD2 4.2Å; L1555-F1613 HydrophobicContact CD1-CE1 3.81Å; L1555-F1613 HydrophobicContact CD1-CE2 3.48Å; L1555-F1613 VanDerWaalsContact CD1-CE2 3.45Å; L1555-F1613 HydrophobicContact CD1-CZ 3.6Å; L1555-F1613 HydrophobicContact CD2-CE1 4.34Å; L1555-F1613 HydrophobicContact CG-CE1 3.9Å; L1555-F1613 HydrophobicContact CG-CE2 3.99Å; L1555-F1613 HydrophobicContact CG-CZ 4.07Å; L1555-A1653 HydrophobicContact CD1-CB 4.03Å; L1555-L1654 HydrophobicContact CD2-CD2 3.63Å; L1555-L1654 HydrophobicContact CD2-CG 4.12Å; L1555-C1657 VanDerWaalsContact C-SG 3.55Å; L1555-C1657 HydrophobicContact CB-CB 4.32Å; L1555-C1657 HydrophobicContact CD1-CB 4.49Å; L1555-C1657 HydrophobicContact CD2-CB 4.49Å; L1555-C1657 PolarHBondContact O-SG 3.04Å; L1555-W1767 HydrophobicContact CD1-CH2 4.4Å; L1555-L1927 HydrophobicContact CB-CD1 4.47Å; L1555-L1927 HydrophobicContact CB-CD2 4.36Å |
| 1556 | A | 90.7 | Very high | 88.3 | Confident | 9 Ų | 9 | 12.9 Ų | 12.9 | 7% | 0.074 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -59.1 | -39.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1467 R1552 S1553 G1559 A1560 F1926 L1927 | V1467-A1556 HydrophobicContact CG1-CB 4.18Å; V1467-A1556 HydrophobicContact CG2-CB 4.07Å; R1552-A1556 VanDerWaalsContact O-CB 3.25Å; R1552-A1556 WeakPolarHBondContact O-CB 3.29Å; R1552-A1556 PolarHBondContact O-N 3.17Å; S1553-A1556 PolarHBondContact O-N 3.16Å; A1556-G1559 PolarHBondContact O-N 3.02Å; A1556-A1560 WeakPolarHBondContact O-CB 3.38Å; A1556-A1560 PolarHBondContact O-N 3.04Å; A1556-F1926 HydrophobicContact CB-CB 3.9Å; A1556-F1926 HydrophobicContact CB-CD1 3.73Å; A1556-F1926 HydrophobicContact CB-CD2 4.28Å; A1556-F1926 HydrophobicContact CB-CG 4.36Å; A1556-F1926 WeakPolarHBondContact O-CD1 3.46Å; A1556-F1926 WeakPolarHBondContact O-CE1 3.47Å; A1556-L1927 HydrophobicContact CB-CD2 4.47Å; A1556-L1927 HydrophobicContact CB-CG 4.4Å |
| 1557 | L | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.1 | -47.8 | 175.4 | -176.9 | 61.7 | 0 | 0 | 0 | 111 | M1463 L1466 V1467 M1470 L1485 L1488 S1553 S1554 L1555 G1559 A1560 L1561 | M1463-L1557 HydrophobicContact CE-CB 4.13Å; M1463-L1557 HydrophobicContact CE-CD2 3.91Å; M1463-L1557 VanDerWaalsContact CE-CD2 3.45Å; M1463-L1557 HydrophobicContact CE-CG 4.31Å; M1463-L1557 HydrophobicContact SD-CD2 4.13Å; L1466-L1557 HydrophobicContact CD2-CD1 4.33Å; L1466-L1557 HydrophobicContact CD2-CD2 3.96Å; L1466-L1557 HydrophobicContact CG-CD1 4.17Å; V1467-L1557 HydrophobicContact CG2-CB 3.77Å; V1467-L1557 HydrophobicContact CG2-CD1 4.23Å; M1470-L1557 HydrophobicContact CG-CD1 3.96Å; L1485-L1557 HydrophobicContact CD1-CD1 4.15Å; L1485-L1557 HydrophobicContact CD1-CD2 3.82Å; L1485-L1557 HydrophobicContact CD1-CG 4.41Å; L1485-L1557 HydrophobicContact CD2-CD1 4.13Å; L1485-L1557 HydrophobicContact CG-CD1 4.15Å; L1485-L1557 HydrophobicContact CG-CD2 4.28Å; L1485-L1557 HydrophobicContact CG-CG 4.42Å; L1488-L1557 HydrophobicContact CD2-CD2 4.47Å; L1488-L1557 HydrophobicContact CG-CD2 4.45Å; S1553-L1557 WeakPolarHBondContact O-CB 3.31Å; S1553-L1557 PolarHBondContact O-N 3.11Å; S1554-L1557 PolarHBondContact O-N 3.16Å; L1555-L1557 VanDerWaalsContact C-N 3.29Å; L1555-L1557 PolarHBondContact O-N 3.18Å; L1557-G1559 VanDerWaalsContact C-N 3.34Å; L1557-G1559 PolarHBondContact O-N 3.17Å; L1557-A1560 PolarHBondContact O-N 3.16Å; L1557-L1561 HydrophobicContact CD1-CD1 4.33Å; L1557-L1561 HydrophobicContact CD1-CG 4.41Å; L1557-L1561 HydrophobicContact CG-CD1 4.05Å; L1557-L1561 WeakPolarHBondContact O-CB 3.31Å; L1557-L1561 VanDerWaalsContact O-CG 3.29Å; L1557-L1561 WeakPolarHBondContact O-CG 3.31Å; L1557-L1561 PolarHBondContact O-N 3.17Å |
| 1558 | L | 92.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.7 | -40.5 | 177.7 | -132.8 | 102.8 | 0 | 0 | 0 | 112.2 | T1486 G1489 M1490 P1493 S1554 L1555 A1560 L1561 Y1562 I1572 I1576 L1654 I1658 | T1486-L1558 HydrophobicContact CG2-CD1 4.28Å; T1486-L1558 HydrophobicContact CG2-CD2 4.38Å; G1489-L1558 VanDerWaalsContact O-CD1 3.27Å; G1489-L1558 WeakPolarHBondContact O-CD1 3.35Å; M1490-L1558 HydrophobicContact CG-CD1 4.2Å; M1490-L1558 HydrophobicContact CG-CD2 4.03Å; M1490-L1558 HydrophobicContact SD-CD1 3.9Å; M1490-L1558 VanDerWaalsContact SD-CD1 3.57Å; M1490-L1558 HydrophobicContact SD-CD2 3.83Å; M1490-L1558 WeakPolarHBondContact SD-CD2 3.27Å; P1493-L1558 HydrophobicContact CG-CD1 4.07Å; S1554-L1558 WeakPolarHBondContact O-CB 3.3Å; S1554-L1558 PolarHBondContact O-N 3.1Å; S1554-L1558 VanDerWaalsContact O-N 3.12Å; L1555-L1558 PolarHBondContact O-N 3.18Å; L1555-L1558 VanDerWaalsContact O-N 3.15Å; L1558-A1560 VanDerWaalsContact C-N 3.33Å; L1558-A1560 PolarHBondContact O-N 3.27Å; L1558-L1561 PolarHBondContact O-N 3.11Å; L1558-Y1562 VanDerWaalsContact O-CB 3.28Å; L1558-Y1562 WeakPolarHBondContact O-CB 3.36Å; L1558-Y1562 PolarHBondContact O-N 3.07Å; L1558-I1572 HydrophobicContact CD1-CG2 3.81Å; L1558-I1572 HydrophobicContact CG-CG2 4.45Å; L1558-I1576 HydrophobicContact CD2-CD1 4.42Å; L1558-L1654 HydrophobicContact CD1-CD2 3.63Å; L1558-L1654 HydrophobicContact CD2-CD2 3.4Å; L1558-L1654 VanDerWaalsContact CD2-CD2 3.46Å; L1558-I1658 HydrophobicContact CD2-CD1 4.3Å |
| 1559 | G | 91.5 | Very high | 89.7 | Confident | 1.4 Ų | 1.4 | 17.7 Ų | 17.7 | 1% | 0.014 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.6 | -41.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1555 A1556 L1557 Y1562 G1563 | L1555-G1559 PolarHBondContact O-N 3.25Å; A1556-G1559 PolarHBondContact O-N 3.02Å; L1557-G1559 VanDerWaalsContact C-N 3.34Å; L1557-G1559 PolarHBondContact O-N 3.17Å; G1559-Y1562 PolarHBondContact O-N 2.9Å; G1559-G1563 PolarHBondContact O-N 3.06Å |
| 1560 | A | 89.7 | Confident | 90.1 | Very high | 8.8 Ų | 8.8 | 23.1 Ų | 23.1 | 7% | 0.073 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66 | -46.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1467 M1470 R1471 A1556 L1557 L1558 G1563 Q1564 F1926 | V1467-A1560 HydrophobicContact CG1-CB 4.32Å; M1470-A1560 HydrophobicContact CB-CB 4.37Å; R1471-A1560 HydrophobicContact CG-CB 4.43Å; A1556-A1560 WeakPolarHBondContact O-CB 3.38Å; A1556-A1560 PolarHBondContact O-N 3.04Å; L1557-A1560 PolarHBondContact O-N 3.16Å; L1558-A1560 VanDerWaalsContact C-N 3.33Å; L1558-A1560 PolarHBondContact O-N 3.27Å; A1560-G1563 PolarHBondContact O-N 3.17Å; A1560-Q1564 VanDerWaalsContact O-CG 3.32Å; A1560-Q1564 WeakPolarHBondContact O-CG 3.37Å; A1560-Q1564 PolarHBondContact O-N 3.29Å; A1560-Q1564 VanDerWaalsContact O-N 3.14Å; A1560-F1926 HydrophobicContact CB-CE1 3.98Å; A1560-F1926 HydrophobicContact CB-CZ 4.17Å |
| 1561 | L | 91.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.1 | -47.7 | 176.3 | -71.4 | 170.5 | 0 | 0 | 0 | 111.4 | M1470 V1482 L1485 L1557 L1558 G1563 Q1564 Y1565 | M1470-L1561 HydrophobicContact CG-CD2 4.27Å; M1470-L1561 HydrophobicContact SD-CD2 3.95Å; V1482-L1561 HydrophobicContact CG1-CD2 4.23Å; L1485-L1561 HydrophobicContact CB-CD1 3.91Å; L1485-L1561 HydrophobicContact CB-CD2 4.04Å; L1485-L1561 HydrophobicContact CD1-CD2 4.18Å; L1485-L1561 HydrophobicContact CD2-CD1 4.43Å; L1485-L1561 HydrophobicContact CD2-CD2 4.12Å; L1485-L1561 HydrophobicContact CD2-CG 4.5Å; L1485-L1561 HydrophobicContact CG-CD1 4.05Å; L1557-L1561 HydrophobicContact CD1-CD1 4.33Å; L1557-L1561 HydrophobicContact CD1-CG 4.41Å; L1557-L1561 HydrophobicContact CG-CD1 4.05Å; L1557-L1561 WeakPolarHBondContact O-CB 3.31Å; L1557-L1561 VanDerWaalsContact O-CG 3.29Å; L1557-L1561 WeakPolarHBondContact O-CG 3.31Å; L1557-L1561 PolarHBondContact O-N 3.17Å; L1558-L1561 PolarHBondContact O-N 3.11Å; L1561-G1563 VanDerWaalsContact C-N 3.31Å; L1561-G1563 PolarHBondContact O-N 3.14Å; L1561-Q1564 PolarHBondContact O-N 2.98Å; L1561-Y1565 HydrophobicContact CD2-CD2 4.28Å; L1561-Y1565 HydrophobicContact CD2-CE2 4.37Å; L1561-Y1565 WeakPolarHBondContact O-CB 3.32Å; L1561-Y1565 PolarHBondContact O-N 3.02Å |
| 1562 | Y | 91.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -38 | 179.2 | -163.4 | -85.5 | 0 | 0 | 0 | 112.7 | L1558 G1559 R1569 I1572 V1573 I1658 L1662 H1725 | L1558-Y1562 VanDerWaalsContact O-CB 3.28Å; L1558-Y1562 WeakPolarHBondContact O-CB 3.36Å; L1558-Y1562 PolarHBondContact O-N 3.07Å; G1559-Y1562 PolarHBondContact O-N 2.9Å; Y1562-R1569 HydrophobicContact CD1-CG 3.99Å; Y1562-R1569 HydrophobicContact CD2-CB 4.23Å; Y1562-R1569 HydrophobicContact CD2-CG 4.03Å; Y1562-R1569 HydrophobicContact CE1-CB 4.24Å; Y1562-R1569 HydrophobicContact CE1-CG 3.81Å; Y1562-R1569 HydrophobicContact CE2-CB 3.65Å; Y1562-R1569 HydrophobicContact CE2-CG 3.85Å; Y1562-R1569 VanDerWaalsContact CE2-O 3.32Å; Y1562-R1569 WeakPolarHBondContact CE2-O 3.38Å; Y1562-R1569 HydrophobicContact CG-CG 4.12Å; Y1562-R1569 WeakPolarHBondContact O-CG 3.37Å; Y1562-R1569 PolarHBondContact O-NE 3.34Å; Y1562-I1572 HydrophobicContact CD2-CB 4.05Å; Y1562-I1572 HydrophobicContact CD2-CD1 3.9Å; Y1562-I1572 HydrophobicContact CD2-CG2 3.9Å; Y1562-I1572 HydrophobicContact CE2-CB 4.29Å; Y1562-I1572 HydrophobicContact CE2-CG2 4.26Å; Y1562-V1573 HydrophobicContact CE2-CG2 3.75Å; Y1562-V1573 WeakPolarHBondContact OH-CG2 3.43Å; Y1562-I1658 HydrophobicContact CD1-CG2 3.45Å; Y1562-I1658 VanDerWaalsContact CD1-CG2 3.43Å; Y1562-I1658 HydrophobicContact CD2-CG2 4Å; Y1562-I1658 HydrophobicContact CE1-CG2 3.44Å; Y1562-I1658 VanDerWaalsContact CE1-CG2 3.42Å; Y1562-I1658 HydrophobicContact CE2-CG2 4Å; Y1562-I1658 HydrophobicContact CG-CG1 4.45Å; Y1562-I1658 HydrophobicContact CG-CG2 3.72Å; Y1562-L1662 HydrophobicContact CD1-CD1 4.28Å; Y1562-L1662 HydrophobicContact CD1-CD2 3.74Å; Y1562-L1662 HydrophobicContact CD1-CG 4Å; Y1562-L1662 HydrophobicContact CE1-CD1 3.98Å; Y1562-L1662 HydrophobicContact CE1-CD2 3.88Å; Y1562-L1662 HydrophobicContact CE1-CG 4.17Å; Y1562-H1725 HydrophobicContact CE1-CB 4.43Å; Y1562-H1725 AromaticContact CE1-ND1 3.81Å; Y1562-H1725 AromaticContact CZ-ND1 3.69Å; Y1562-H1725 PolarHBondContact OH-CE1 3.04Å; Y1562-H1725 VanDerWaalsContact OH-CE1 3.32Å; Y1562-H1725 PolarHBondContact OH-ND1 3.22Å |
| 1563 | G | 88.3 | Confident | 90.7 | Very high | 2.6 Ų | 2.6 | 25 Ų | 25 | 3% | 0.027 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.9 | -54.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1559 A1560 L1561 R1569 G1661 H1664 | G1559-G1563 PolarHBondContact O-N 3.06Å; A1560-G1563 PolarHBondContact O-N 3.17Å; L1561-G1563 VanDerWaalsContact C-N 3.31Å; L1561-G1563 PolarHBondContact O-N 3.14Å; G1563-R1569 PolarHBondContact O-NH2 3.16Å; G1563-G1661 VanDerWaalsContact CA-O 3.31Å; G1563-G1661 WeakPolarHBondContact CA-O 3.32Å; G1563-H1664 VanDerWaalsContact C-NE2 3.34Å; G1563-H1664 PolarHBondContact O-CE1 3.25Å; G1563-H1664 VanDerWaalsContact O-CE1 3.23Å; G1563-H1664 PolarHBondContact O-NE2 3.21Å |
| 1564 | Q | 86.7 | Confident | 90.8 | Very high | 25.2 Ų | 25.2 | 27.2 Ų | 27.2 | 12% | 0.118 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -77 | -49.8 | -172 | -66.8 | 178.1 | -6.4 | 0 | 0 | 113 | M1470 P1474 N1475 A1560 L1561 E1566 | M1470-Q1564 VanDerWaalsContact O-CD 3.31Å; M1470-Q1564 PolarHBondContact O-NE2 3.22Å; M1470-Q1564 PolarHBondContact O-OE1 3.15Å; M1470-Q1564 VanDerWaalsContact O-OE1 3.05Å; P1474-Q1564 HydrophobicContact CB-CG 4.33Å; N1475-Q1564 PolarHBondContact ND2-O 3.23Å; N1475-Q1564 VanDerWaalsContact OD1-C 3.27Å; N1475-Q1564 WeakPolarHBondContact OD1-CB 3.41Å; N1475-Q1564 PolarHBondContact OD1-O 3.16Å; N1475-Q1564 VanDerWaalsContact OD1-O 3.04Å; A1560-Q1564 VanDerWaalsContact O-CG 3.32Å; A1560-Q1564 WeakPolarHBondContact O-CG 3.37Å; A1560-Q1564 PolarHBondContact O-N 3.29Å; A1560-Q1564 VanDerWaalsContact O-N 3.14Å; L1561-Q1564 PolarHBondContact O-N 2.98Å; Q1564-E1566 PolarHBondContact O-N 3.16Å |
| 1565 | Y | 88.9 | Confident | 90.7 | Very high | 16.6 Ų | 16.6 | 30.1 Ų | 30.1 | 7% | 0.065 | 16% | 0.16 | C | C | . | . | trans | -93.1 | 79.5 | -167.6 | -72.2 | -86.2 | 0 | 0 | 0 | 113.2 | R1476 F1477 V1482 L1561 A1567 H1568 R1569 | R1476-Y1565 PolarHBondContact N-OH 3.03Å; F1477-Y1565 WeakPolarHBondContact CA-OH 3.33Å; F1477-Y1565 VanDerWaalsContact CB-OH 3.3Å; F1477-Y1565 WeakPolarHBondContact CB-OH 3.46Å; F1477-Y1565 WeakPolarHBondContact CD2-OH 3.39Å; F1477-Y1565 PolarHBondContact N-OH 3.13Å; F1477-Y1565 PolarHBondContact O-OH 3.15Å; V1482-Y1565 HydrophobicContact CG1-CD1 4.25Å; V1482-Y1565 HydrophobicContact CG1-CD2 4.29Å; V1482-Y1565 HydrophobicContact CG1-CG 4Å; V1482-Y1565 HydrophobicContact CG2-CD1 3.68Å; V1482-Y1565 HydrophobicContact CG2-CD2 4.17Å; V1482-Y1565 HydrophobicContact CG2-CE1 3.41Å; V1482-Y1565 VanDerWaalsContact CG2-CE1 3.46Å; V1482-Y1565 HydrophobicContact CG2-CE2 3.95Å; V1482-Y1565 HydrophobicContact CG2-CG 4.05Å; L1561-Y1565 HydrophobicContact CD2-CD2 4.28Å; L1561-Y1565 HydrophobicContact CD2-CE2 4.37Å; L1561-Y1565 WeakPolarHBondContact O-CB 3.32Å; L1561-Y1565 PolarHBondContact O-N 3.02Å; Y1565-A1567 VanDerWaalsContact C-N 3.33Å; Y1565-A1567 PolarHBondContact O-N 3.08Å; Y1565-H1568 PolarHBondContact O-N 3.26Å; Y1565-H1568 VanDerWaalsContact O-N 3.11Å; Y1565-R1569 PolarHBondContact O-N 3.28Å | ||
| 1566 | E | 89 | Confident | 90.7 | Very high | 122.4 Ų | 122.4 | 29.9 Ų | 29.9 | 57% | 0.572 | 16% | 0.158 | S | C | * | . | G | 310 helix | trans | -53.5 | -43.2 | -178.2 | 178.9 | 144.8 | -141 | 0 | 0 | 114.1 | Q1564 H1568 R1569 R1724 | Q1564-E1566 PolarHBondContact O-N 3.16Å; E1566-H1568 VanDerWaalsContact C-N 3.29Å; E1566-H1568 PolarHBondContact O-N 3.14Å; E1566-R1569 VanDerWaalsContact CD-NH1 3.29Å; E1566-R1569 VanDerWaalsContact CG-NH1 3.31Å; E1566-R1569 WeakPolarHBondContact O-CB 3.31Å; E1566-R1569 WeakPolarHBondContact O-CG 3.38Å; E1566-R1569 PolarHBondContact O-N 3.08Å; E1566-R1569 IonicContact OE1-CZ 3.18Å; E1566-R1569 IonicContact OE1-NH1 3.31Å; E1566-R1569 PolarHBondContact OE1-NH1 3.11Å; E1566-R1569 VanDerWaalsContact OE1-NH1 3.07Å; E1566-R1569 IonicContact OE2-CZ 3.22Å; E1566-R1569 IonicContact OE2-NH1 3.49Å; E1566-R1569 PolarHBondContact OE2-NH1 3.36Å; E1566-R1569 IonicContact OE2-NH2 2.7Å; E1566-R1724 IonicContact OE1-NH2 3.95Å |
| 1567 | A | 88.5 | Confident | 90.6 | Very high | 90.4 Ų | 90.4 | 29.6 Ų | 29.6 | 75% | 0.747 | 16% | 0.155 | S | C | * | . | G | 310 helix | trans | -60.7 | -30.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1565 R1569 | Y1565-A1567 VanDerWaalsContact C-N 3.33Å; Y1565-A1567 PolarHBondContact O-N 3.08Å; A1567-R1569 VanDerWaalsContact C-N 3.35Å; A1567-R1569 PolarHBondContact O-N 3.19Å |
| 1568 | H | 90.2 | Very high | 90.4 | Very high | 15.4 Ų | 15.4 | 35.9 Ų | 35.9 | 7% | 0.071 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -90.2 | -10.5 | -176.6 | -67.2 | -68.7 | 0 | 0 | 0 | 113.5 | D1479 V1482 Y1565 E1566 K1570 M1571 I1572 | D1479-H1568 VanDerWaalsContact CG-CE1 3.44Å; D1479-H1568 IonicContact OD1-CD2 3.25Å; D1479-H1568 IonicContact OD1-CE1 3.23Å; D1479-H1568 PolarHBondContact OD1-CE1 3.34Å; D1479-H1568 IonicContact OD1-NE2 3.25Å; D1479-H1568 PolarHBondContact OD1-NE2 2.99Å; D1479-H1568 IonicContact OD2-CE1 3.83Å; V1482-H1568 HydrophobicContact CG1-CB 4.17Å; V1482-H1568 WeakPolarHBondContact CG1-CD2 3.38Å; Y1565-H1568 PolarHBondContact O-N 3.26Å; Y1565-H1568 VanDerWaalsContact O-N 3.11Å; E1566-H1568 VanDerWaalsContact C-N 3.29Å; E1566-H1568 PolarHBondContact O-N 3.14Å; H1568-K1570 VanDerWaalsContact C-N 3.28Å; H1568-K1570 PolarHBondContact O-N 3.37Å; H1568-K1570 VanDerWaalsContact O-N 3.15Å; H1568-M1571 HydrophobicContact CB-CE 4.05Å; H1568-M1571 VanDerWaalsContact ND1-CE 3.34Å; H1568-M1571 WeakPolarHBondContact ND1-CE 3.4Å; H1568-M1571 WeakPolarHBondContact O-CA 3.3Å; H1568-M1571 WeakPolarHBondContact O-CB 3.32Å; H1568-M1571 PolarHBondContact O-N 3.04Å; H1568-M1571 VanDerWaalsContact O-N 3.13Å; H1568-I1572 HydrophobicContact CB-CD1 4.37Å; H1568-I1572 WeakPolarHBondContact O-CG1 3.31Å; H1568-I1572 PolarHBondContact O-N 3.04Å |
| 1569 | R | 92.5 | Very high | 90 | Very high | 14.4 Ų | 14.4 | 36.2 Ų | 36.2 | 5% | 0.054 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -53.7 | -41.9 | -177.6 | -70.6 | 179.3 | -174.4 | 151.5 | 3.9 | 113.2 | Y1562 G1563 Y1565 E1566 A1567 I1572 V1573 H1725 | Y1562-R1569 HydrophobicContact CD1-CG 3.99Å; Y1562-R1569 HydrophobicContact CD2-CB 4.23Å; Y1562-R1569 HydrophobicContact CD2-CG 4.03Å; Y1562-R1569 HydrophobicContact CE1-CB 4.24Å; Y1562-R1569 HydrophobicContact CE1-CG 3.81Å; Y1562-R1569 HydrophobicContact CE2-CB 3.65Å; Y1562-R1569 HydrophobicContact CE2-CG 3.85Å; Y1562-R1569 VanDerWaalsContact CE2-O 3.32Å; Y1562-R1569 WeakPolarHBondContact CE2-O 3.38Å; Y1562-R1569 HydrophobicContact CG-CG 4.12Å; Y1562-R1569 WeakPolarHBondContact O-CG 3.37Å; Y1562-R1569 PolarHBondContact O-NE 3.34Å; G1563-R1569 PolarHBondContact O-NH2 3.16Å; Y1565-R1569 PolarHBondContact O-N 3.28Å; E1566-R1569 VanDerWaalsContact CD-NH1 3.29Å; E1566-R1569 VanDerWaalsContact CG-NH1 3.31Å; E1566-R1569 WeakPolarHBondContact O-CB 3.31Å; E1566-R1569 WeakPolarHBondContact O-CG 3.38Å; E1566-R1569 PolarHBondContact O-N 3.08Å; E1566-R1569 IonicContact OE1-CZ 3.18Å; E1566-R1569 IonicContact OE1-NH1 3.31Å; E1566-R1569 PolarHBondContact OE1-NH1 3.11Å; E1566-R1569 VanDerWaalsContact OE1-NH1 3.07Å; E1566-R1569 IonicContact OE2-CZ 3.22Å; E1566-R1569 IonicContact OE2-NH1 3.49Å; E1566-R1569 PolarHBondContact OE2-NH1 3.36Å; E1566-R1569 IonicContact OE2-NH2 2.7Å; A1567-R1569 VanDerWaalsContact C-N 3.35Å; A1567-R1569 PolarHBondContact O-N 3.19Å; R1569-I1572 PolarHBondContact O-N 3.18Å; R1569-V1573 WeakPolarHBondContact O-CG2 3.39Å; R1569-V1573 PolarHBondContact O-N 3.19Å; R1569-V1573 VanDerWaalsContact O-N 3.13Å; R1569-H1725 WeakPolarHBondContact CD-NE2 3.27Å; R1569-H1725 PolarHBondContact NH1-NE2 3.13Å |
| 1570 | K | 92.2 | Very high | 89.5 | Confident | 135.8 Ų | 135.8 | 36.6 Ų | 36.6 | 59% | 0.59 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -64.1 | -46.4 | 177.7 | -177.4 | -179 | 174.4 | -171.9 | 0 | 111.4 | H1568 I1572 V1573 D1574 | H1568-K1570 VanDerWaalsContact C-N 3.28Å; H1568-K1570 PolarHBondContact O-N 3.37Å; H1568-K1570 VanDerWaalsContact O-N 3.15Å; K1570-I1572 VanDerWaalsContact C-N 3.33Å; K1570-I1572 PolarHBondContact O-N 3.31Å; K1570-V1573 PolarHBondContact O-N 3.2Å; K1570-V1573 VanDerWaalsContact O-N 3.14Å; K1570-D1574 WeakPolarHBondContact CE-OD2 3.25Å; K1570-D1574 WeakPolarHBondContact CG-OD2 3.37Å; K1570-D1574 WeakPolarHBondContact O-CB 3.43Å; K1570-D1574 VanDerWaalsContact O-CG 3.29Å; K1570-D1574 PolarHBondContact O-N 2.98Å |
| 1571 | M | 92.8 | Very high | 89.1 | Confident | 67 Ų | 67 | 38.1 Ų | 38.1 | 33% | 0.33 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.2 | -44.8 | 178 | 179.6 | -167.1 | 54.6 | 0 | 0 | 111.3 | I1483 T1486 H1568 V1573 D1574 E1575 | I1483-M1571 HydrophobicContact CB-CE 4.49Å; I1483-M1571 HydrophobicContact CD1-CE 3.98Å; I1483-M1571 HydrophobicContact CD1-SD 4.35Å; I1483-M1571 HydrophobicContact CG1-CE 3.77Å; I1483-M1571 HydrophobicContact CG1-SD 3.77Å; T1486-M1571 HydrophobicContact CG2-CE 4.43Å; H1568-M1571 HydrophobicContact CB-CE 4.05Å; H1568-M1571 VanDerWaalsContact ND1-CE 3.34Å; H1568-M1571 WeakPolarHBondContact ND1-CE 3.4Å; H1568-M1571 WeakPolarHBondContact O-CA 3.3Å; H1568-M1571 WeakPolarHBondContact O-CB 3.32Å; H1568-M1571 PolarHBondContact O-N 3.04Å; H1568-M1571 VanDerWaalsContact O-N 3.13Å; M1571-V1573 VanDerWaalsContact C-N 3.33Å; M1571-V1573 PolarHBondContact O-N 3.06Å; M1571-D1574 PolarHBondContact O-N 3.03Å; M1571-E1575 WeakPolarHBondContact O-CB 3.44Å; M1571-E1575 PolarHBondContact O-N 3.16Å |
| 1572 | I | 92.4 | Very high | 88.3 | Confident | 0.2 Ų | 0.2 | 41 Ų | 41 | 0% | 0.001 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60 | -45.5 | 177.4 | -63.4 | 164.8 | 0 | 0 | 0 | 110.8 | T1486 L1558 Y1562 H1568 R1569 K1570 E1575 I1576 | T1486-I1572 HydrophobicContact CG2-CB 4.47Å; T1486-I1572 HydrophobicContact CG2-CG1 3.75Å; T1486-I1572 HydrophobicContact CG2-CG2 4.47Å; L1558-I1572 HydrophobicContact CD1-CG2 3.81Å; L1558-I1572 HydrophobicContact CG-CG2 4.45Å; Y1562-I1572 HydrophobicContact CD2-CB 4.05Å; Y1562-I1572 HydrophobicContact CD2-CD1 3.9Å; Y1562-I1572 HydrophobicContact CD2-CG2 3.9Å; Y1562-I1572 HydrophobicContact CE2-CB 4.29Å; Y1562-I1572 HydrophobicContact CE2-CG2 4.26Å; H1568-I1572 HydrophobicContact CB-CD1 4.37Å; H1568-I1572 WeakPolarHBondContact O-CG1 3.31Å; H1568-I1572 PolarHBondContact O-N 3.04Å; R1569-I1572 PolarHBondContact O-N 3.18Å; K1570-I1572 VanDerWaalsContact C-N 3.33Å; K1570-I1572 PolarHBondContact O-N 3.31Å; I1572-E1575 PolarHBondContact O-N 3.16Å; I1572-I1576 HydrophobicContact CG2-CD1 3.9Å; I1572-I1576 HydrophobicContact CG2-CG1 4.43Å; I1572-I1576 WeakPolarHBondContact O-CB 3.17Å; I1572-I1576 WeakPolarHBondContact O-CD1 3.42Å; I1572-I1576 VanDerWaalsContact O-CG1 3.29Å; I1572-I1576 WeakPolarHBondContact O-CG1 3.42Å; I1572-I1576 PolarHBondContact O-N 3.09Å |
| 1573 | V | 92.5 | Very high | 87 | Confident | 0.6 Ų | 0.6 | 41.8 Ų | 41.8 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.2 | -42.9 | 178.6 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | Y1562 R1569 K1570 M1571 E1575 I1576 F1577 Y1728 L1729 | Y1562-V1573 HydrophobicContact CE2-CG2 3.75Å; Y1562-V1573 WeakPolarHBondContact OH-CG2 3.43Å; R1569-V1573 WeakPolarHBondContact O-CG2 3.39Å; R1569-V1573 PolarHBondContact O-N 3.19Å; R1569-V1573 VanDerWaalsContact O-N 3.13Å; K1570-V1573 PolarHBondContact O-N 3.2Å; K1570-V1573 VanDerWaalsContact O-N 3.14Å; M1571-V1573 VanDerWaalsContact C-N 3.33Å; M1571-V1573 PolarHBondContact O-N 3.06Å; V1573-E1575 VanDerWaalsContact C-N 3.29Å; V1573-E1575 PolarHBondContact O-N 3.16Å; V1573-I1576 PolarHBondContact O-N 3.19Å; V1573-F1577 HydrophobicContact CG1-CD2 3.52Å; V1573-F1577 VanDerWaalsContact CG1-CD2 3.49Å; V1573-F1577 HydrophobicContact CG1-CE2 3.36Å; V1573-F1577 VanDerWaalsContact CG1-CE2 3.42Å; V1573-F1577 HydrophobicContact CG1-CZ 4.47Å; V1573-F1577 VanDerWaalsContact O-CD2 3.23Å; V1573-F1577 WeakPolarHBondContact O-CD2 3.39Å; V1573-F1577 PolarHBondContact O-N 3.18Å; V1573-Y1728 HydrophobicContact CB-CE1 3.93Å; V1573-Y1728 HydrophobicContact CG1-CD1 4.42Å; V1573-Y1728 HydrophobicContact CG1-CE1 3.67Å; V1573-Y1728 HydrophobicContact CG2-CD1 4.37Å; V1573-Y1728 HydrophobicContact CG2-CE1 3.89Å; V1573-L1729 HydrophobicContact CB-CD2 4.45Å; V1573-L1729 HydrophobicContact CG1-CD2 3.98Å; V1573-L1729 HydrophobicContact CG2-CD2 3.65Å |
| 1574 | D | 90.8 | Very high | 85.7 | Confident | 52.6 Ų | 52.6 | 42.4 Ų | 42.4 | 28% | 0.281 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.2 | -34.8 | 177.2 | -73.9 | -26.2 | 0 | 0 | 0 | 111.3 | K1570 M1571 R1578 R1736 | K1570-D1574 WeakPolarHBondContact CE-OD2 3.25Å; K1570-D1574 WeakPolarHBondContact CG-OD2 3.37Å; K1570-D1574 WeakPolarHBondContact O-CB 3.43Å; K1570-D1574 VanDerWaalsContact O-CG 3.29Å; K1570-D1574 PolarHBondContact O-N 2.98Å; M1571-D1574 PolarHBondContact O-N 3.03Å; D1574-R1578 VanDerWaalsContact O-CB 3.27Å; D1574-R1578 WeakPolarHBondContact O-CB 3.32Å; D1574-R1578 PolarHBondContact O-N 3.24Å; D1574-R1736 IonicContact OD1-NH2 2.92Å; D1574-R1736 PolarHBondContact OD1-NH2 3.19Å |
| 1575 | E | 90.2 | Very high | 84.1 | Confident | 62.6 Ų | 62.6 | 45.2 Ų | 45.2 | 29% | 0.293 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.4 | -47.9 | 171.8 | -175.4 | 60.3 | -147.2 | 0 | 0 | 112.1 | M1490 M1571 I1572 V1573 F1577 R1578 T1579 | M1490-E1575 HydrophobicContact CE-CG 4.45Å; M1490-E1575 HydrophobicContact CG-CG 4.31Å; M1571-E1575 WeakPolarHBondContact O-CB 3.44Å; M1571-E1575 PolarHBondContact O-N 3.16Å; I1572-E1575 PolarHBondContact O-N 3.16Å; V1573-E1575 VanDerWaalsContact C-N 3.29Å; V1573-E1575 PolarHBondContact O-N 3.16Å; E1575-F1577 VanDerWaalsContact C-N 3.3Å; E1575-F1577 PolarHBondContact O-N 3.21Å; E1575-R1578 VanDerWaalsContact CA-NH1 3.33Å; E1575-R1578 WeakPolarHBondContact O-CB 3.41Å; E1575-R1578 PolarHBondContact O-N 3.13Å; E1575-R1578 VanDerWaalsContact O-N 3.1Å; E1575-R1578 PolarHBondContact O-NH2 3.06Å; E1575-R1578 VanDerWaalsContact O-NH2 3.15Å; E1575-R1578 IonicContact OE1-CZ 3.49Å; E1575-R1578 IonicContact OE1-NH1 2.9Å; E1575-R1578 PolarHBondContact OE1-NH1 3.27Å; E1575-R1578 IonicContact OE1-NH2 2.92Å; E1575-R1578 PolarHBondContact OE1-NH2 2.88Å; E1575-R1578 IonicContact OE2-CZ 2.79Å; E1575-R1578 IonicContact OE2-NE 3.62Å; E1575-R1578 IonicContact OE2-NH1 3.19Å; E1575-R1578 PolarHBondContact OE2-NH1 3.27Å; E1575-R1578 IonicContact OE2-NH2 3.29Å; E1575-R1578 PolarHBondContact OE2-NH2 2.89Å; E1575-T1579 VanDerWaalsContact O-CB 3.3Å; E1575-T1579 WeakPolarHBondContact O-CB 3.38Å; E1575-T1579 PolarHBondContact O-N 3.2Å; E1575-T1579 PolarHBondContact O-OG1 3.05Å; E1575-T1579 VanDerWaalsContact O-OG1 3.1Å; E1575-T1579 PolarHBondContact OE1-OG1 3.13Å |
| 1576 | I | 90.5 | Very high | 82.3 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.1 | -47.5 | 175.9 | -69.8 | 162.9 | 0 | 0 | 0 | 110.7 | M1490 L1558 I1572 V1573 T1579 F1580 L1651 L1654 I1658 | M1490-I1576 HydrophobicContact CE-CB 4.4Å; M1490-I1576 HydrophobicContact CE-CG1 3.74Å; M1490-I1576 HydrophobicContact SD-CD1 4.45Å; M1490-I1576 HydrophobicContact SD-CG1 3.65Å; M1490-I1576 VanDerWaalsContact SD-CG1 3.53Å; L1558-I1576 HydrophobicContact CD2-CD1 4.42Å; I1572-I1576 HydrophobicContact CG2-CD1 3.9Å; I1572-I1576 HydrophobicContact CG2-CG1 4.43Å; I1572-I1576 WeakPolarHBondContact O-CB 3.17Å; I1572-I1576 WeakPolarHBondContact O-CD1 3.42Å; I1572-I1576 VanDerWaalsContact O-CG1 3.29Å; I1572-I1576 WeakPolarHBondContact O-CG1 3.42Å; I1572-I1576 PolarHBondContact O-N 3.09Å; V1573-I1576 PolarHBondContact O-N 3.19Å; I1576-T1579 PolarHBondContact O-N 3.12Å; I1576-F1580 VanDerWaalsContact O-CB 3.28Å; I1576-F1580 WeakPolarHBondContact O-CB 3.36Å; I1576-F1580 PolarHBondContact O-N 3.35Å; I1576-L1651 HydrophobicContact CG2-CD1 3.71Å; I1576-L1654 HydrophobicContact CG1-CD1 4.37Å; I1576-L1654 HydrophobicContact CG2-CD1 4.04Å; I1576-I1658 HydrophobicContact CD1-CD1 3.41Å; I1576-I1658 VanDerWaalsContact CD1-CD1 3.43Å |
| 1577 | F | 89.6 | Confident | 80 | Confident | 2.8 Ų | 2.8 | 50.2 Ų | 50.2 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69 | -36.5 | 178.3 | -76 | -58.8 | 0 | 0 | 0 | 112.8 | V1573 E1575 F1580 L1581 F1655 L1733 R1736 | V1573-F1577 HydrophobicContact CG1-CD2 3.52Å; V1573-F1577 VanDerWaalsContact CG1-CD2 3.49Å; V1573-F1577 HydrophobicContact CG1-CE2 3.36Å; V1573-F1577 VanDerWaalsContact CG1-CE2 3.42Å; V1573-F1577 HydrophobicContact CG1-CZ 4.47Å; V1573-F1577 VanDerWaalsContact O-CD2 3.23Å; V1573-F1577 WeakPolarHBondContact O-CD2 3.39Å; V1573-F1577 PolarHBondContact O-N 3.18Å; E1575-F1577 VanDerWaalsContact C-N 3.3Å; E1575-F1577 PolarHBondContact O-N 3.21Å; F1577-F1580 PolarHBondContact O-N 3.11Å; F1577-L1581 VanDerWaalsContact O-CB 3.28Å; F1577-L1581 WeakPolarHBondContact O-CB 3.37Å; F1577-L1581 WeakPolarHBondContact O-CD1 3.45Å; F1577-L1581 WeakPolarHBondContact O-CG 3.34Å; F1577-L1581 PolarHBondContact O-N 3.11Å; F1577-F1655 HydrophobicContact CE1-CZ 4.25Å; F1577-F1655 AromaticContact CZ-CZ 3.91Å; F1577-F1655 HydrophobicContact CZ-CZ 4.05Å; F1577-L1733 HydrophobicContact CE1-CB 4.04Å; F1577-L1733 HydrophobicContact CE1-CD1 4.2Å; F1577-L1733 HydrophobicContact CZ-CB 4.27Å; F1577-R1736 VanDerWaalsContact CE2-NH1 3.26Å |
| 1578 | R | 86.7 | Confident | 77.6 | Confident | 132.2 Ų | 132.2 | 53.8 Ų | 53.8 | 50% | 0.499 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.2 | -49.2 | 175.3 | -176.7 | -174.4 | -50.5 | 92.7 | 7.9 | 110.8 | D1574 E1575 F1580 L1581 S1582 | D1574-R1578 VanDerWaalsContact O-CB 3.27Å; D1574-R1578 WeakPolarHBondContact O-CB 3.32Å; D1574-R1578 PolarHBondContact O-N 3.24Å; E1575-R1578 VanDerWaalsContact CA-NH1 3.33Å; E1575-R1578 WeakPolarHBondContact O-CB 3.41Å; E1575-R1578 PolarHBondContact O-N 3.13Å; E1575-R1578 VanDerWaalsContact O-N 3.1Å; E1575-R1578 PolarHBondContact O-NH2 3.06Å; E1575-R1578 VanDerWaalsContact O-NH2 3.15Å; E1575-R1578 IonicContact OE1-CZ 3.49Å; E1575-R1578 IonicContact OE1-NH1 2.9Å; E1575-R1578 PolarHBondContact OE1-NH1 3.27Å; E1575-R1578 IonicContact OE1-NH2 2.92Å; E1575-R1578 PolarHBondContact OE1-NH2 2.88Å; E1575-R1578 IonicContact OE2-CZ 2.79Å; E1575-R1578 IonicContact OE2-NE 3.62Å; E1575-R1578 IonicContact OE2-NH1 3.19Å; E1575-R1578 PolarHBondContact OE2-NH1 3.27Å; E1575-R1578 IonicContact OE2-NH2 3.29Å; E1575-R1578 PolarHBondContact OE2-NH2 2.89Å; R1578-F1580 VanDerWaalsContact C-N 3.33Å; R1578-F1580 PolarHBondContact O-N 3.14Å; R1578-L1581 CarbonylContact O-C 3.52Å; R1578-L1581 PolarHBondContact O-N 2.85Å; R1578-S1582 VanDerWaalsContact O-CB 3.31Å; R1578-S1582 WeakPolarHBondContact O-CB 3.34Å; R1578-S1582 PolarHBondContact O-N 3.09Å; R1578-S1582 PolarHBondContact O-OG 3.15Å; R1578-S1582 VanDerWaalsContact O-OG 3.05Å |
| 1579 | T | 84.6 | Confident | 75.1 | Confident | 8.6 Ų | 8.6 | 62.2 Ų | 62.2 | 5% | 0.053 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 176.8 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | M1490 S1494 L1497 T1498 E1575 I1576 L1581 S1582 G1583 | M1490-T1579 HydrophobicContact CE-CG2 4.2Å; S1494-T1579 VanDerWaalsContact OG-CG2 3.27Å; S1494-T1579 WeakPolarHBondContact OG-CG2 3.41Å; L1497-T1579 HydrophobicContact CB-CG2 4.48Å; L1497-T1579 HydrophobicContact CD1-CG2 4.41Å; T1498-T1579 HydrophobicContact CG2-CG2 4.16Å; E1575-T1579 VanDerWaalsContact O-CB 3.3Å; E1575-T1579 WeakPolarHBondContact O-CB 3.38Å; E1575-T1579 PolarHBondContact O-N 3.2Å; E1575-T1579 PolarHBondContact O-OG1 3.05Å; E1575-T1579 VanDerWaalsContact O-OG1 3.1Å; E1575-T1579 PolarHBondContact OE1-OG1 3.13Å; I1576-T1579 PolarHBondContact O-N 3.12Å; T1579-L1581 VanDerWaalsContact C-N 3.31Å; T1579-L1581 PolarHBondContact O-N 3.33Å; T1579-S1582 WeakPolarHBondContact CA-OG 3.42Å; T1579-S1582 PolarHBondContact O-N 2.85Å; T1579-S1582 PolarHBondContact O-OG 3.18Å; T1579-G1583 PolarHBondContact O-N 2.95Å; T1579-G1583 VanDerWaalsContact O-N 3.12Å |
| 1580 | F | 82 | Confident | 72.4 | Confident | 10.4 Ų | 10.4 | 65.9 Ų | 65.9 | 5% | 0.046 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61 | -45.4 | 176 | 170.4 | -111.5 | 0 | 0 | 0 | 112.3 | L1497 I1576 F1577 R1578 G1583 L1584 L1651 L1733 I1745 V1748 | L1497-F1580 HydrophobicContact CD2-CD2 4.38Å; I1576-F1580 VanDerWaalsContact O-CB 3.28Å; I1576-F1580 WeakPolarHBondContact O-CB 3.36Å; I1576-F1580 PolarHBondContact O-N 3.35Å; F1577-F1580 PolarHBondContact O-N 3.11Å; R1578-F1580 VanDerWaalsContact C-N 3.33Å; R1578-F1580 PolarHBondContact O-N 3.14Å; F1580-G1583 PolarHBondContact O-N 3.05Å; F1580-L1584 HydrophobicContact CE1-CD1 4.12Å; F1580-L1584 HydrophobicContact CE2-CD1 4.36Å; F1580-L1584 HydrophobicContact CE2-CD2 4.48Å; F1580-L1584 HydrophobicContact CZ-CD1 4.01Å; F1580-L1584 HydrophobicContact CZ-CD2 4.4Å; F1580-L1584 PolarHBondContact O-N 3.11Å; F1580-L1651 HydrophobicContact CD2-CD2 4.35Å; F1580-L1651 HydrophobicContact CE2-CD2 4.36Å; F1580-L1651 HydrophobicContact CG-CD2 4.45Å; F1580-L1651 HydrophobicContact CZ-CD2 4.44Å; F1580-L1733 HydrophobicContact CE1-CD1 4.22Å; F1580-I1745 HydrophobicContact CE1-CD1 4.38Å; F1580-I1745 HydrophobicContact CE1-CG1 4.5Å; F1580-I1745 HydrophobicContact CE1-CG2 4.13Å; F1580-I1745 HydrophobicContact CZ-CG2 4.24Å; F1580-V1748 HydrophobicContact CE2-CB 4.29Å; F1580-V1748 HydrophobicContact CE2-CG1 3.78Å; F1580-V1748 HydrophobicContact CE2-CG2 4.06Å; F1580-V1748 HydrophobicContact CZ-CB 4.04Å; F1580-V1748 HydrophobicContact CZ-CG1 3.71Å; F1580-V1748 HydrophobicContact CZ-CG2 4.03Å |
| 1581 | L | 79.8 | Confident | 69.6 | Low | 39.2 Ų | 39.2 | 63.6 Ų | 63.6 | 21% | 0.205 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.8 | -36.6 | 179.9 | -69.7 | 172.5 | 0 | 0 | 0 | 112.6 | F1577 R1578 T1579 G1583 L1584 D1585 K1740 I1745 | F1577-L1581 VanDerWaalsContact O-CB 3.28Å; F1577-L1581 WeakPolarHBondContact O-CB 3.37Å; F1577-L1581 WeakPolarHBondContact O-CD1 3.45Å; F1577-L1581 WeakPolarHBondContact O-CG 3.34Å; F1577-L1581 PolarHBondContact O-N 3.11Å; R1578-L1581 CarbonylContact O-C 3.52Å; R1578-L1581 PolarHBondContact O-N 2.85Å; T1579-L1581 VanDerWaalsContact C-N 3.31Å; T1579-L1581 PolarHBondContact O-N 3.33Å; L1581-G1583 VanDerWaalsContact C-N 3.29Å; L1581-G1583 PolarHBondContact O-N 3.13Å; L1581-L1584 HydrophobicContact CB-CD1 4.48Å; L1581-L1584 HydrophobicContact CD2-CD1 4.03Å; L1581-L1584 WeakPolarHBondContact O-CB 3.33Å; L1581-L1584 VanDerWaalsContact O-CG 3.25Å; L1581-L1584 WeakPolarHBondContact O-CG 3.42Å; L1581-L1584 PolarHBondContact O-N 3.22Å; L1581-D1585 PolarHBondContact O-N 3.21Å; L1581-D1585 VanDerWaalsContact O-N 3.16Å; L1581-K1740 HydrophobicContact CD2-CD 4.43Å; L1581-I1745 HydrophobicContact CD2-CD1 4.13Å |
| 1582 | S | 74.8 | Confident | 67 | Low | 60 Ų | 60 | 66.1 Ų | 66.1 | 42% | 0.42 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.4 | -35.2 | 175.8 | -26 | 0 | 0 | 0 | 0 | 111.7 | R1578 T1579 L1584 D1585 V1586 | R1578-S1582 VanDerWaalsContact O-CB 3.31Å; R1578-S1582 WeakPolarHBondContact O-CB 3.34Å; R1578-S1582 PolarHBondContact O-N 3.09Å; R1578-S1582 PolarHBondContact O-OG 3.15Å; R1578-S1582 VanDerWaalsContact O-OG 3.05Å; T1579-S1582 WeakPolarHBondContact CA-OG 3.42Å; T1579-S1582 PolarHBondContact O-N 2.85Å; T1579-S1582 PolarHBondContact O-OG 3.18Å; S1582-L1584 VanDerWaalsContact C-N 3.3Å; S1582-L1584 PolarHBondContact O-N 3.23Å; S1582-D1585 PolarHBondContact O-N 3.02Å; S1582-D1585 VanDerWaalsContact O-N 3.15Å; S1582-V1586 WeakPolarHBondContact O-CG2 3.03Å; S1582-V1586 PolarHBondContact O-N 2.98Å |
| 1583 | G | 64.3 | Low | 64.2 | Low | 16.8 Ų | 16.8 | 71.9 Ų | 71.9 | 17% | 0.173 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.5 | -23.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1579 F1580 L1581 V1586 | T1579-G1583 PolarHBondContact O-N 2.95Å; T1579-G1583 VanDerWaalsContact O-N 3.12Å; F1580-G1583 PolarHBondContact O-N 3.05Å; L1581-G1583 VanDerWaalsContact C-N 3.29Å; L1581-G1583 PolarHBondContact O-N 3.13Å; G1583-V1586 WeakPolarHBondContact O-CG2 3.5Å |
| 1584 | L | 61.9 | Low | 61.8 | Low | 15.8 Ų | 15.8 | 77.7 Ų | 77.7 | 8% | 0.083 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -79.2 | -32.6 | 176 | -59.5 | 175.4 | 0 | 0 | 0 | 113 | F1580 L1581 S1582 V1586 R1608 D1744 I1745 | F1580-L1584 HydrophobicContact CE1-CD1 4.12Å; F1580-L1584 HydrophobicContact CE2-CD1 4.36Å; F1580-L1584 HydrophobicContact CE2-CD2 4.48Å; F1580-L1584 HydrophobicContact CZ-CD1 4.01Å; F1580-L1584 HydrophobicContact CZ-CD2 4.4Å; F1580-L1584 PolarHBondContact O-N 3.11Å; L1581-L1584 HydrophobicContact CB-CD1 4.48Å; L1581-L1584 HydrophobicContact CD2-CD1 4.03Å; L1581-L1584 WeakPolarHBondContact O-CB 3.33Å; L1581-L1584 VanDerWaalsContact O-CG 3.25Å; L1581-L1584 WeakPolarHBondContact O-CG 3.42Å; L1581-L1584 PolarHBondContact O-N 3.22Å; S1582-L1584 VanDerWaalsContact C-N 3.3Å; S1582-L1584 PolarHBondContact O-N 3.23Å; L1584-V1586 PolarHBondContact O-N 2.86Å; L1584-R1608 HydrophobicContact CD2-CB 4.31Å; L1584-R1608 HydrophobicContact CD2-CG 3.99Å; L1584-R1608 PolarHBondContact O-NH2 3.2Å; L1584-D1744 HydrophobicContact CD2-CB 4.42Å; L1584-I1745 HydrophobicContact CD1-CD1 4.21Å; L1584-I1745 HydrophobicContact CD1-CG1 3.73Å |
| 1585 | D | 53.1 | Low | 59 | Low | 83.6 Ų | 83.6 | 80.6 Ų | 80.6 | 45% | 0.447 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -84.5 | -20.1 | -173.4 | -93.9 | -19.1 | 0 | 0 | 0 | 114.1 | L1581 S1582 K1587 R1588 K1740 | L1581-D1585 PolarHBondContact O-N 3.21Å; L1581-D1585 VanDerWaalsContact O-N 3.16Å; S1582-D1585 PolarHBondContact O-N 3.02Å; S1582-D1585 VanDerWaalsContact O-N 3.15Å; D1585-K1587 VanDerWaalsContact C-N 3.29Å; D1585-K1587 PolarHBondContact O-N 3.28Å; D1585-R1588 PolarHBondContact O-N 3.04Å; D1585-R1588 VanDerWaalsContact O-N 3.08Å; D1585-R1588 IonicContact OD1-CZ 3.17Å; D1585-R1588 IonicContact OD1-NE 3.29Å; D1585-R1588 IonicContact OD1-NH1 3.05Å; D1585-R1588 PolarHBondContact OD1-NH1 2.94Å; D1585-R1588 IonicContact OD1-NH2 3.48Å; D1585-R1588 PolarHBondContact OD1-NH2 3.07Å; D1585-K1740 IonicContact OD1-NZ 2.73Å; D1585-K1740 PolarHBondContact OD1-NZ 3.27Å; D1585-K1740 IonicContact OD2-NZ 2.84Å |
| 1586 | V | 49.8 | Very low | 56.5 | Low | 101.6 Ų | 101.6 | 83.9 Ų | 83.9 | 62% | 0.616 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -11 | -175 | 174.9 | 0 | 0 | 0 | 0 | 113.3 | T1498 S1582 G1583 L1584 S1590 | T1498-V1586 HydrophobicContact CG2-CG2 3.73Å; S1582-V1586 WeakPolarHBondContact O-CG2 3.03Å; S1582-V1586 PolarHBondContact O-N 2.98Å; G1583-V1586 WeakPolarHBondContact O-CG2 3.5Å; L1584-V1586 PolarHBondContact O-N 2.86Å; V1586-S1590 PolarHBondContact O-OG 3.32Å |
| 1587 | K | 42 | Very low | 53.7 | Low | 143 Ų | 143 | 92.1 Ų | 92.1 | 62% | 0.622 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 5.3 | 173.5 | -135.8 | 179.3 | -177 | -176.1 | 0 | 115.7 | D1585 K1589 P1604 D1606 | D1585-K1587 VanDerWaalsContact C-N 3.29Å; D1585-K1587 PolarHBondContact O-N 3.28Å; K1587-K1589 VanDerWaalsContact C-N 3.27Å; K1587-K1589 HydrophobicContact CG-CB 3.52Å; K1587-K1589 PolarHBondContact O-N 3.12Å; K1587-P1604 HydrophobicContact CD-CB 4.04Å; K1587-D1606 IonicContact NZ-OD1 3.47Å |
| 1588 | R | 37.8 | Very low | 50.9 | Low | 165.6 Ų | 165.6 | 98.7 Ų | 98.7 | 63% | 0.625 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -5.7 | 173.3 | -78.5 | -170.8 | -114.8 | 158.9 | -1.7 | 113.7 | D1585 S1590 E1742 | D1585-R1588 PolarHBondContact O-N 3.04Å; D1585-R1588 VanDerWaalsContact O-N 3.08Å; D1585-R1588 IonicContact OD1-CZ 3.17Å; D1585-R1588 IonicContact OD1-NE 3.29Å; D1585-R1588 IonicContact OD1-NH1 3.05Å; D1585-R1588 PolarHBondContact OD1-NH1 2.94Å; D1585-R1588 IonicContact OD1-NH2 3.48Å; D1585-R1588 PolarHBondContact OD1-NH2 3.07Å; R1588-S1590 PolarHBondContact O-N 3.33Å; R1588-E1742 IonicContact CZ-OE1 3.37Å; R1588-E1742 IonicContact CZ-OE2 3.97Å; R1588-E1742 IonicContact NH2-OE1 3.32Å; R1588-E1742 PolarHBondContact NH2-OE1 3.37Å; R1588-E1742 IonicContact NH2-OE2 3.64Å; R1588-E1742 PolarHBondContact NH2-OE2 3.11Å |
| 1589 | K | 37.5 | Very low | 48.3 | Very low | 193.2 Ų | 193.2 | 100.9 Ų | 100.9 | 84% | 0.84 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -97 | 8.7 | -174.8 | -90.9 | -177 | 178.3 | -179.2 | 0 | 114.7 | K1587 A1591 | K1587-K1589 VanDerWaalsContact C-N 3.27Å; K1587-K1589 HydrophobicContact CG-CB 3.52Å; K1587-K1589 PolarHBondContact O-N 3.12Å; K1589-A1591 PolarHBondContact O-N 3.03Å; K1589-A1591 VanDerWaalsContact O-N 3.16Å |
| 1590 | S | 35.5 | Very low | 45.7 | Very low | 91.2 Ų | 91.2 | 109.9 Ų | 109.9 | 64% | 0.638 | 61% | 0.609 | S | S | * | * | trans | -92.8 | 62.7 | 177 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | V1586 R1588 P1592 | V1586-S1590 PolarHBondContact O-OG 3.32Å; R1588-S1590 PolarHBondContact O-N 3.33Å; S1590-P1592 VanDerWaalsContact O-CD 3.29Å; S1590-P1592 WeakPolarHBondContact O-CD 3.16Å | ||
| 1591 | A | 32.8 | Very low | 43.4 | Very low | 88.4 Ų | 88.4 | 115.6 Ų | 115.6 | 73% | 0.731 | 64% | 0.638 | S | S | * | * | trans | -99.6 | 107.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | K1589 S1593 | K1589-A1591 PolarHBondContact O-N 3.03Å; K1589-A1591 VanDerWaalsContact O-N 3.16Å; A1591-S1593 PolarHBondContact O-N 3.21Å | ||
| 1592 | P | 38.9 | Very low | 41 | Very low | 118.8 Ų | 118.8 | 120.9 Ų | 120.9 | 77% | 0.771 | 67% | 0.665 | S | S | * | * | trans | -73.7 | 128 | 171.8 | 31.3 | -31.6 | 0 | 0 | 0 | 109.6 | S1590 V1594 | S1590-P1592 VanDerWaalsContact O-CD 3.29Å; S1590-P1592 WeakPolarHBondContact O-CD 3.16Å; P1592-V1594 PolarHBondContact O-N 3.08Å | ||
| 1593 | S | 33.5 | Very low | 39 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 85% | 0.846 | 68% | 0.684 | S | S | * | * | trans | -73 | 98.6 | 176.3 | 54.5 | 0 | 0 | 0 | 0 | 111 | A1591 | A1591-S1593 PolarHBondContact O-N 3.21Š| ||
| 1594 | V | 41.3 | Very low | 37.7 | Very low | 122.8 Ų | 122.8 | 131.1 Ų | 131.1 | 74% | 0.744 | 70% | 0.702 | S | S | * | * | trans | -110.9 | 107 | 158.4 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | P1592 T1596 | P1592-V1594 PolarHBondContact O-N 3.08Å; V1594-T1596 PolarHBondContact O-N 3.26Å | ||
| 1595 | S | 33.2 | Very low | 37 | Very low | 114.2 Ų | 114.2 | 134.5 Ų | 134.5 | 80% | 0.799 | 73% | 0.727 | S | S | * | * | trans | -67.2 | 111.4 | 171.4 | 49.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1596 | T | 36.4 | Very low | 37.3 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | trans | -144.4 | 133 | 151 | 23.2 | 0 | 0 | 0 | 0 | 108.7 | V1594 | V1594-T1596 PolarHBondContact O-N 3.26Š| ||
| 1597 | E | 31.9 | Very low | 38 | Very low | 172.6 Ų | 172.6 | 137.7 Ų | 137.7 | 81% | 0.807 | 73% | 0.729 | S | S | * | * | trans | -80.9 | 152.8 | -165.7 | -62.6 | 171.3 | 141.2 | 0 | 0 | 112.2 | H913 | H913-E1597 IonicContact CE1-OE2 3.43Å; H913-E1597 PolarHBondContact CE1-OE2 2.75Å; H913-E1597 IonicContact ND1-OE2 3.99Å | ||
| 1598 | T | 31.8 | Very low | 39.2 | Very low | 141.8 Ų | 141.8 | 133.5 Ų | 133.5 | 87% | 0.87 | 71% | 0.709 | S | S | * | * | trans | 86.5 | 73.3 | 160.9 | 53.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1599 | E | 31.5 | Very low | 40.7 | Very low | 178.4 Ų | 178.4 | 127.3 Ų | 127.3 | 83% | 0.834 | 69% | 0.689 | S | S | * | * | trans | -150.5 | 136.6 | 137.9 | -124.7 | -179.2 | 175.4 | 0 | 0 | 110.5 | I1601 | E1599-I1601 HydrophobicContact CB-CG1 4.47Å; E1599-I1601 PolarHBondContact O-N 2.98Å | ||
| 1600 | K | 30.2 | Very low | 42.6 | Very low | 197 Ų | 197 | 119.2 Ų | 119.2 | 86% | 0.857 | 66% | 0.658 | S | S | * | * | trans | -68.8 | 93.6 | -177.8 | -94.2 | 176.8 | 177.7 | 172.5 | 0 | 110.7 | I1602 | K1600-I1602 PolarHBondContact O-N 3.32Š| ||
| 1601 | I | 33 | Very low | 44.9 | Very low | 131.2 Ų | 131.2 | 118.7 Ų | 118.7 | 67% | 0.673 | 65% | 0.645 | S | S | * | * | trans | -68.7 | 114 | 171.3 | -60.3 | 174.6 | 0 | 0 | 0 | 107.8 | E1599 Y1603 | E1599-I1601 HydrophobicContact CB-CG1 4.47Å; E1599-I1601 PolarHBondContact O-N 2.98Å; I1601-Y1603 PolarHBondContact O-N 3.05Å | ||
| 1602 | I | 31 | Very low | 47.1 | Very low | 150.4 Ų | 150.4 | 114.7 Ų | 114.7 | 77% | 0.771 | 61% | 0.611 | S | S | * | * | trans | -60.5 | 115.2 | 172.5 | -63.1 | 167.9 | 0 | 0 | 0 | 107.7 | K1600 P1604 | K1600-I1602 PolarHBondContact O-N 3.32Å; I1602-P1604 VanDerWaalsContact O-CD 3.24Å; I1602-P1604 WeakPolarHBondContact O-CD 3.39Å; I1602-P1604 VanDerWaalsContact O-N 3.12Å | ||
| 1603 | Y | 31.3 | Very low | 49.2 | Very low | 205.6 Ų | 205.6 | 109.4 Ų | 109.4 | 81% | 0.806 | 58% | 0.576 | S | S | * | * | trans | -59.3 | 124.2 | -179 | -69.2 | -83 | 0 | 0 | 0 | 110.3 | I1601 S1605 D1606 | I1601-Y1603 PolarHBondContact O-N 3.05Å; Y1603-S1605 PolarHBondContact O-N 3.21Å; Y1603-D1606 PolarHBondContact O-N 3.24Å | ||
| 1604 | P | 38.3 | Very low | 51.5 | Low | 84.4 Ų | 84.4 | 104.5 Ų | 104.5 | 55% | 0.548 | 54% | 0.539 | S | S | . | . | trans | -72.4 | 89.9 | -176.4 | 29.3 | -33 | 0 | 0 | 0 | 110.6 | K1587 I1602 D1606 R1607 | K1587-P1604 HydrophobicContact CD-CB 4.04Å; I1602-P1604 VanDerWaalsContact O-CD 3.24Å; I1602-P1604 WeakPolarHBondContact O-CD 3.39Å; I1602-P1604 VanDerWaalsContact O-N 3.12Å; P1604-D1606 PolarHBondContact O-N 2.95Å; P1604-R1607 PolarHBondContact O-N 2.71Å | ||
| 1605 | S | 46.3 | Very low | 53.6 | Low | 88 Ų | 88 | 98.7 Ų | 98.7 | 62% | 0.615 | 50% | 0.504 | S | S | * | . | trans | -40.7 | 107 | 176.6 | 50.8 | 0 | 0 | 0 | 0 | 113.6 | Y1603 R1607 R1608 T1609 | Y1603-S1605 PolarHBondContact O-N 3.21Å; S1605-R1607 VanDerWaalsContact C-N 3.34Å; S1605-R1607 PolarHBondContact O-N 3.2Å; S1605-R1608 PolarHBondContact O-N 3.33Å; S1605-T1609 PolarHBondContact O-N 3.45Å; S1605-T1609 PolarHBondContact O-OG1 2.98Å | ||
| 1606 | D | 58.8 | Low | 55.9 | Low | 90.4 Ų | 90.4 | 93.6 Ų | 93.6 | 48% | 0.483 | 47% | 0.467 | S | S | . | . | trans | -49.1 | 60 | -173.3 | -148.2 | 8.6 | 0 | 0 | 0 | 113.3 | K1587 Y1603 P1604 R1608 T1609 A1610 | K1587-D1606 IonicContact NZ-OD1 3.47Å; Y1603-D1606 PolarHBondContact O-N 3.24Å; P1604-D1606 PolarHBondContact O-N 2.95Å; D1606-R1608 PolarHBondContact O-N 3.13Å; D1606-T1609 HydrophobicContact CB-CG2 4.43Å; D1606-T1609 WeakPolarHBondContact CB-OG1 3.3Å; D1606-T1609 PolarHBondContact O-N 3.09Å; D1606-T1609 VanDerWaalsContact O-N 3.11Å; D1606-T1609 PolarHBondContact O-OG1 3.08Å; D1606-T1609 PolarHBondContact OD1-OG1 3.23Å; D1606-A1610 PolarHBondContact O-N 2.9Å | ||
| 1607 | R | 65.3 | Low | 58.2 | Low | 162.4 Ų | 162.4 | 87.5 Ų | 87.5 | 61% | 0.613 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -56.6 | -24.2 | 179 | -70.6 | -172.1 | -178.4 | -174.9 | -0.3 | 113 | G1500 P1604 S1605 A1610 | G1500-R1607 VanDerWaalsContact CA-O 3.23Å; G1500-R1607 WeakPolarHBondContact CA-O 3.36Å; P1604-R1607 PolarHBondContact O-N 2.71Å; S1605-R1607 VanDerWaalsContact C-N 3.34Å; S1605-R1607 PolarHBondContact O-N 3.2Å; R1607-A1610 VanDerWaalsContact O-CB 3.27Å; R1607-A1610 WeakPolarHBondContact O-CB 3.27Å; R1607-A1610 PolarHBondContact O-N 3.35Å |
| 1608 | R | 66.5 | Low | 60.5 | Low | 54.8 Ų | 54.8 | 79.7 Ų | 79.7 | 21% | 0.207 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -74.7 | -29 | -178.4 | -63.7 | 174.6 | 171.9 | 173.6 | -9.4 | 113.7 | L1584 S1605 D1606 A1610 H1649 Y1743 D1744 | L1584-R1608 HydrophobicContact CD2-CB 4.31Å; L1584-R1608 HydrophobicContact CD2-CG 3.99Å; L1584-R1608 PolarHBondContact O-NH2 3.2Å; S1605-R1608 PolarHBondContact O-N 3.33Å; D1606-R1608 PolarHBondContact O-N 3.13Å; R1608-A1610 VanDerWaalsContact C-N 3.29Å; R1608-H1649 PolarHBondContact O-CE1 3.39Å; R1608-H1649 PolarHBondContact O-NE2 3.08Å; R1608-Y1743 PolarHBondContact NH1-O 2.89Å; R1608-Y1743 VanDerWaalsContact NH1-O 3.14Å; R1608-D1744 IonicContact CZ-OD1 2.63Å; R1608-D1744 IonicContact CZ-OD2 3.58Å; R1608-D1744 VanDerWaalsContact CZ-OD2 3.3Å; R1608-D1744 IonicContact NH1-OD1 2.84Å; R1608-D1744 PolarHBondContact NH1-OD1 3.34Å; R1608-D1744 VanDerWaalsContact NH1-OD1 3.15Å; R1608-D1744 IonicContact NH1-OD2 3.51Å; R1608-D1744 PolarHBondContact NH1-OD2 3.26Å; R1608-D1744 IonicContact NH2-OD2 2.76Å; R1608-D1744 PolarHBondContact NH2-OD2 3.11Å; R1608-D1744 VanDerWaalsContact NH2-OD2 3.07Å |
| 1609 | T | 70.5 | Confident | 62.8 | Low | 35.2 Ų | 35.2 | 73.1 Ų | 73.1 | 22% | 0.216 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -99.3 | 9.1 | 175.4 | 50.6 | 0 | 0 | 0 | 0 | 112.1 | S1605 D1606 K1611 S1747 T1751 | S1605-T1609 PolarHBondContact O-N 3.45Å; S1605-T1609 PolarHBondContact O-OG1 2.98Å; D1606-T1609 HydrophobicContact CB-CG2 4.43Å; D1606-T1609 WeakPolarHBondContact CB-OG1 3.3Å; D1606-T1609 PolarHBondContact O-N 3.09Å; D1606-T1609 VanDerWaalsContact O-N 3.11Å; D1606-T1609 PolarHBondContact O-OG1 3.08Å; D1606-T1609 PolarHBondContact OD1-OG1 3.23Å; T1609-K1611 PolarHBondContact O-N 3.21Å; T1609-S1747 WeakPolarHBondContact CG2-OG 3.31Å; T1609-T1751 WeakPolarHBondContact CG2-OG1 3.3Å |
| 1610 | A | 75.7 | Confident | 65.1 | Low | 22.8 Ų | 22.8 | 66.4 Ų | 66.4 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | trans | -61.7 | 124.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G1500 D1606 R1607 R1608 T1612 H1649 | G1500-A1610 WeakPolarHBondContact O-CB 3.39Å; D1606-A1610 PolarHBondContact O-N 2.9Å; R1607-A1610 VanDerWaalsContact O-CB 3.27Å; R1607-A1610 WeakPolarHBondContact O-CB 3.27Å; R1607-A1610 PolarHBondContact O-N 3.35Å; R1608-A1610 VanDerWaalsContact C-N 3.29Å; A1610-T1612 VanDerWaalsContact C-N 3.33Å; A1610-T1612 HydrophobicContact CB-CG2 4.09Å; A1610-T1612 PolarHBondContact O-N 3.25Å; A1610-T1612 VanDerWaalsContact O-N 3.09Å; A1610-H1649 PolarHBondContact O-CD2 3.42Å | ||
| 1611 | K | 83.9 | Confident | 67.4 | Low | 80.2 Ų | 80.2 | 57.2 Ų | 57.2 | 35% | 0.349 | 28% | 0.282 | S | S | . | . | trans | -82.7 | 81.9 | 178.2 | -63.7 | -175.1 | 176.8 | -135.5 | 0 | 109.9 | T1609 Y1647 I1648 D1755 | T1609-K1611 PolarHBondContact O-N 3.21Å; K1611-Y1647 VanDerWaalsContact CD-O 3.32Å; K1611-Y1647 WeakPolarHBondContact CD-O 3.22Å; K1611-Y1647 PolarHBondContact NZ-O 3.12Å; K1611-I1648 CarbonylContact C-O 3.42Å; K1611-I1648 VanDerWaalsContact C-O 3.24Å; K1611-I1648 VanDerWaalsContact CA-O 3.29Å; K1611-I1648 WeakPolarHBondContact CA-O 3.39Å; K1611-D1755 WeakPolarHBondContact CE-OD1 3.36Å; K1611-D1755 IonicContact NZ-OD1 2.98Å; K1611-D1755 PolarHBondContact NZ-OD1 3.13Å | ||
| 1612 | T | 79 | Confident | 69.5 | Low | 4.6 Ų | 4.6 | 54 Ų | 54 | 3% | 0.028 | 26% | 0.262 | C | S | . | . | trans | -83.8 | -15.9 | -170.3 | 49.2 | 0 | 0 | 0 | 0 | 114.5 | G1500 T1501 S1502 A1610 I1648 | G1500-T1612 VanDerWaalsContact C-CG2 3.45Å; G1500-T1612 WeakPolarHBondContact O-CG2 3.4Å; T1501-T1612 VanDerWaalsContact C-CG2 3.44Å; T1501-T1612 WeakPolarHBondContact O-CG2 3.49Å; S1502-T1612 WeakPolarHBondContact CB-O 3.37Å; S1502-T1612 PolarHBondContact OG-O 3.07Å; A1610-T1612 VanDerWaalsContact C-N 3.33Å; A1610-T1612 HydrophobicContact CB-CG2 4.09Å; A1610-T1612 PolarHBondContact O-N 3.25Å; A1610-T1612 VanDerWaalsContact O-N 3.09Å; T1612-I1648 PolarHBondContact N-O 3.07Å; T1612-I1648 VanDerWaalsContact N-O 3.12Å | ||
| 1613 | F | 82.9 | Confident | 71.6 | Confident | 8.4 Ų | 8.4 | 50.5 Ų | 50.5 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 135.2 | -178.7 | -147.7 | -94.8 | 0 | 0 | 0 | 111.3 | P1493 Q1551 R1552 L1555 L1615 Y1647 I1648 A1650 A1653 W1767 | P1493-F1613 HydrophobicContact CG-CZ 4.42Å; Q1551-F1613 HydrophobicContact CB-CD1 4.34Å; Q1551-F1613 HydrophobicContact CB-CD2 4.29Å; Q1551-F1613 HydrophobicContact CB-CE1 3.84Å; Q1551-F1613 HydrophobicContact CB-CE2 3.82Å; Q1551-F1613 HydrophobicContact CB-CZ 4.24Å; Q1551-F1613 HydrophobicContact CG-CE1 4.08Å; Q1551-F1613 HydrophobicContact CG-CE2 4.27Å; Q1551-F1613 HydrophobicContact CG-CZ 4.49Å; R1552-F1613 HydrophobicContact CG-CE2 4.36Å; R1552-F1613 HydrophobicContact CG-CZ 4.09Å; L1555-F1613 HydrophobicContact CD1-CD1 4.14Å; L1555-F1613 HydrophobicContact CD1-CD2 4.2Å; L1555-F1613 HydrophobicContact CD1-CE1 3.81Å; L1555-F1613 HydrophobicContact CD1-CE2 3.48Å; L1555-F1613 VanDerWaalsContact CD1-CE2 3.45Å; L1555-F1613 HydrophobicContact CD1-CZ 3.6Å; L1555-F1613 HydrophobicContact CD2-CE1 4.34Å; L1555-F1613 HydrophobicContact CG-CE1 3.9Å; L1555-F1613 HydrophobicContact CG-CE2 3.99Å; L1555-F1613 HydrophobicContact CG-CZ 4.07Å; F1613-L1615 HydrophobicContact CD1-CD2 3.67Å; F1613-L1615 HydrophobicContact CD1-CG 4.4Å; F1613-L1615 HydrophobicContact CE1-CD2 3.55Å; F1613-L1615 VanDerWaalsContact CE1-CD2 3.46Å; F1613-L1615 HydrophobicContact CE1-CG 4.41Å; F1613-Y1647 CarbonylContact O-C 3.59Å; F1613-Y1647 VanDerWaalsContact O-CA 3.31Å; F1613-Y1647 WeakPolarHBondContact O-CA 3.44Å; F1613-I1648 HydrophobicContact CB-CG1 4.09Å; F1613-I1648 HydrophobicContact CD1-CD1 4.09Å; F1613-I1648 HydrophobicContact CD1-CG1 4.3Å; F1613-I1648 PolarHBondContact N-O 3.13Å; F1613-I1648 PolarHBondContact O-N 3.26Å; F1613-A1650 VanDerWaalsContact CD2-CA 3.43Å; F1613-A1650 HydrophobicContact CD2-CB 3.56Å; F1613-A1650 HydrophobicContact CE2-CB 3.4Å; F1613-A1650 VanDerWaalsContact CE2-CB 3.4Å; F1613-A1653 HydrophobicContact CB-CB 4.05Å; F1613-A1653 HydrophobicContact CD1-CB 3.78Å; F1613-A1653 VanDerWaalsContact CD1-CB 3.42Å; F1613-A1653 HydrophobicContact CD2-CB 4.27Å; F1613-A1653 HydrophobicContact CE1-CB 4.23Å; F1613-A1653 HydrophobicContact CG-CB 3.78Å; F1613-W1767 HydrophobicContact CE1-CH2 4.43Å; F1613-W1767 AromaticContact CE1-CZ2 3.98Å; F1613-W1767 HydrophobicContact CE1-CZ2 4.15Å |
| 1614 | R | 83.5 | Confident | 73.6 | Confident | 18.2 Ų | 18.2 | 43.9 Ų | 43.9 | 7% | 0.069 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.6 | -178.3 | 110.9 | -179.4 | -173.1 | -170.3 | -2 | 111.1 | E1548 Y1645 Y1647 S1884 D1887 | E1548-R1614 VanDerWaalsContact CB-NH2 3.33Å; E1548-R1614 VanDerWaalsContact CD-CZ 3.49Å; E1548-R1614 VanDerWaalsContact CD-NE 3.32Å; E1548-R1614 VanDerWaalsContact OE1-CD 3.3Å; E1548-R1614 WeakPolarHBondContact OE1-CD 3.24Å; E1548-R1614 IonicContact OE1-CZ 2.99Å; E1548-R1614 IonicContact OE1-NE 3.52Å; E1548-R1614 PolarHBondContact OE1-NE 3.09Å; E1548-R1614 IonicContact OE1-NH1 2.98Å; E1548-R1614 PolarHBondContact OE1-NH1 3.15Å; E1548-R1614 IonicContact OE1-NH2 3.24Å; E1548-R1614 IonicContact OE2-CZ 3.94Å; E1548-R1614 IonicContact OE2-NE 3.54Å; E1548-R1614 PolarHBondContact OE2-NE 3.14Å; E1548-R1614 IonicContact OE2-NH1 3.74Å; E1548-R1614 IonicContact OE2-NH2 3.71Å; E1548-R1614 PolarHBondContact OE2-NH2 3.04Å; R1614-Y1645 HydrophobicContact CB-CD1 4.22Å; R1614-Y1645 HydrophobicContact CB-CG 4.46Å; R1614-Y1645 HydrophobicContact CG-CD1 4.13Å; R1614-Y1645 HydrophobicContact CG-CE1 4.4Å; R1614-Y1645 HydrophobicContact CG-CG 4.12Å; R1614-Y1645 VanDerWaalsContact CZ-CD1 3.47Å; R1614-Y1645 VanDerWaalsContact CZ-CE2 3.42Å; R1614-Y1645 VanDerWaalsContact CZ-CG 3.44Å; R1614-Y1645 VanDerWaalsContact NH1-CE2 3.3Å; R1614-Y1645 VanDerWaalsContact NH1-CZ 3.27Å; R1614-Y1645 VanDerWaalsContact NH2-CE1 3.33Å; R1614-Y1645 VanDerWaalsContact NH2-CG 3.3Å; R1614-Y1647 HydrophobicContact CB-CD1 4.25Å; R1614-Y1647 HydrophobicContact CB-CE1 4.05Å; R1614-Y1647 HydrophobicContact CG-CD1 4.46Å; R1614-Y1647 HydrophobicContact CG-CE1 4.03Å; R1614-Y1647 PolarHBondContact NE-OH 3.14Å; R1614-Y1647 VanDerWaalsContact NE-OH 3.1Å; R1614-Y1647 PolarHBondContact NH2-OH 3.42Å; R1614-S1884 PolarHBondContact NH2-OG 3.01Å; R1614-D1887 IonicContact CZ-OD1 3.72Å; R1614-D1887 IonicContact CZ-OD2 2.76Å; R1614-D1887 IonicContact NH1-OD1 2.64Å; R1614-D1887 IonicContact NH1-OD2 3.29Å; R1614-D1887 PolarHBondContact NH1-OD2 3.33Å; R1614-D1887 IonicContact NH2-OD1 3.74Å; R1614-D1887 PolarHBondContact NH2-OD1 3.31Å; R1614-D1887 IonicContact NH2-OD2 2.65Å; R1614-D1887 PolarHBondContact NH2-OD2 2.98Å |
| 1615 | L | 84.9 | Confident | 75.2 | Confident | 0.6 Ų | 0.6 | 43.3 Ų | 43.3 | 0% | 0.003 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 142.2 | 175.6 | -58.2 | -177.1 | 0 | 0 | 0 | 110 | F1613 S1617 Y1645 L1646 I1648 V1759 W1767 | F1613-L1615 HydrophobicContact CD1-CD2 3.67Å; F1613-L1615 HydrophobicContact CD1-CG 4.4Å; F1613-L1615 HydrophobicContact CE1-CD2 3.55Å; F1613-L1615 VanDerWaalsContact CE1-CD2 3.46Å; F1613-L1615 HydrophobicContact CE1-CG 4.41Å; L1615-S1617 PolarHBondContact O-N 3.22Å; L1615-Y1645 CarbonylContact O-C 3.46Å; L1615-Y1645 VanDerWaalsContact O-CA 3.28Å; L1615-Y1645 WeakPolarHBondContact O-CA 3.35Å; L1615-Y1645 WeakPolarHBondContact O-CB 3.47Å; L1615-Y1645 WeakPolarHBondContact O-CD1 3.45Å; L1615-L1646 HydrophobicContact CB-CB 4.35Å; L1615-L1646 VanDerWaalsContact CB-O 3.31Å; L1615-L1646 WeakPolarHBondContact CB-O 3.31Å; L1615-L1646 HydrophobicContact CD1-CD2 4.32Å; L1615-L1646 PolarHBondContact N-O 3.08Å; L1615-L1646 PolarHBondContact O-N 3.14Å; L1615-I1648 HydrophobicContact CD1-CD1 3.51Å; L1615-I1648 VanDerWaalsContact CD1-CD1 3.49Å; L1615-I1648 HydrophobicContact CD1-CG1 3.96Å; L1615-I1648 HydrophobicContact CD1-CG2 4.06Å; L1615-I1648 HydrophobicContact CD2-CD1 4.3Å; L1615-I1648 HydrophobicContact CG-CD1 3.97Å; L1615-I1648 HydrophobicContact CG-CG1 4.05Å; L1615-V1759 HydrophobicContact CD1-CG1 4.4Å; L1615-V1759 HydrophobicContact CD1-CG2 3.65Å; L1615-V1759 VanDerWaalsContact CD1-CG2 3.49Å; L1615-W1767 HydrophobicContact CD1-CD2 4.41Å; L1615-W1767 HydrophobicContact CD1-CG 4.31Å; L1615-W1767 HydrophobicContact CD2-CD2 4.44Å; L1615-W1767 VanDerWaalsContact CD2-CE2 3.45Å; L1615-W1767 HydrophobicContact CD2-CH2 4.36Å; L1615-W1767 HydrophobicContact CD2-CZ2 3.42Å; L1615-W1767 VanDerWaalsContact CD2-CZ2 3.47Å; L1615-W1767 VanDerWaalsContact CD2-NE1 3.32Å |
| 1616 | L | 82 | Confident | 76.2 | Confident | 6.2 Ų | 6.2 | 42.7 Ų | 42.7 | 3% | 0.032 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 122.6 | 171.1 | -175.9 | 62.5 | 0 | 0 | 0 | 109.5 | S1618 F1621 Y1645 A1763 E1766 H1879 H1880 F1883 | L1616-S1618 PolarHBondContact O-N 3.11Å; L1616-F1621 HydrophobicContact CD1-CE2 4.19Å; L1616-F1621 HydrophobicContact CD1-CZ 4.3Å; L1616-F1621 HydrophobicContact CD2-CE2 4.25Å; L1616-F1621 HydrophobicContact CD2-CZ 4.29Å; L1616-F1621 HydrophobicContact CG-CE2 4.18Å; L1616-F1621 HydrophobicContact CG-CZ 4.41Å; L1616-Y1645 HydrophobicContact CD1-CD1 4.18Å; L1616-Y1645 HydrophobicContact CD1-CE1 4.32Å; L1616-A1763 WeakPolarHBondContact O-CB 3.49Å; L1616-E1766 WeakPolarHBondContact CB-OE1 3.31Å; L1616-E1766 WeakPolarHBondContact CD2-OE1 3.42Å; L1616-H1879 HydrophobicContact CD2-CB 3.98Å; L1616-H1880 WeakPolarHBondContact CB-CE1 2.95Å; L1616-F1883 HydrophobicContact CD1-CB 4.42Å; L1616-F1883 HydrophobicContact CD1-CD2 3.77Å; L1616-F1883 HydrophobicContact CD1-CE2 4.38Å; L1616-F1883 HydrophobicContact CD1-CG 4.38Å |
| 1617 | S | 83.3 | Confident | 76.3 | Confident | 4.8 Ų | 4.8 | 39.5 Ų | 39.5 | 3% | 0.034 | 18% | 0.179 | C | C | . | . | trans | -81.2 | 105.7 | 178.7 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | L1615 S1619 Y1620 F1621 P1643 Q1644 H1762 | L1615-S1617 PolarHBondContact O-N 3.22Å; S1617-S1619 PolarHBondContact O-N 3.2Å; S1617-S1619 PolarHBondContact OG-OG 3.25Å; S1617-Y1620 VanDerWaalsContact O-CB 3.31Å; S1617-Y1620 WeakPolarHBondContact O-CB 3.29Å; S1617-Y1620 PolarHBondContact O-N 3.06Å; S1617-Y1620 VanDerWaalsContact O-N 3.12Å; S1617-F1621 WeakPolarHBondContact O-CD2 3.22Å; S1617-P1643 WeakPolarHBondContact CB-O 3.43Å; S1617-P1643 PolarHBondContact OG-O 3.43Å; S1617-Q1644 VanDerWaalsContact CB-O 3.28Å; S1617-Q1644 WeakPolarHBondContact CB-O 3.45Å; S1617-Q1644 PolarHBondContact N-O 3.16Å; S1617-H1762 CarbonylContact C-O 3.6Å; S1617-H1762 PolarHBondContact OG-O 2.81Å | ||
| 1618 | S | 81.7 | Confident | 75.7 | Confident | 8 Ų | 8 | 35.7 Ų | 35.7 | 6% | 0.056 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.3 | -21.6 | 174.5 | 61.3 | 0 | 0 | 0 | 0 | 113 | L1616 Y1620 H1762 A1763 P1764 H2072 | L1616-S1618 PolarHBondContact O-N 3.11Å; S1618-Y1620 VanDerWaalsContact C-N 3.31Å; S1618-Y1620 PolarHBondContact O-N 3.05Å; S1618-H1762 WeakPolarHBondContact CA-O 3.39Å; S1618-H1762 PolarHBondContact N-O 3.07Å; S1618-H1762 PolarHBondContact OG-O 3.22Å; S1618-H1762 VanDerWaalsContact OG-O 3.13Å; S1618-A1763 WeakPolarHBondContact OG-CA 3.31Å; S1618-P1764 WeakPolarHBondContact OG-CD 3.29Å; S1618-H2072 WeakPolarHBondContact CB-ND1 3.3Å; S1618-H2072 PolarHBondContact OG-ND1 2.91Å |
| 1619 | S | 78.8 | Confident | 74.8 | Confident | 3.6 Ų | 3.6 | 40.3 Ų | 40.3 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.4 | -26.3 | 175.4 | 67.7 | 0 | 0 | 0 | 0 | 113.6 | S1617 F1621 Y1622 E1623 H1762 Y1832 H2072 | S1617-S1619 PolarHBondContact O-N 3.2Å; S1617-S1619 PolarHBondContact OG-OG 3.25Å; S1619-F1621 VanDerWaalsContact C-N 3.28Å; S1619-F1621 PolarHBondContact O-N 3.17Å; S1619-Y1622 WeakPolarHBondContact O-CA 3.23Å; S1619-Y1622 WeakPolarHBondContact O-CB 3.37Å; S1619-Y1622 PolarHBondContact O-N 3.3Å; S1619-Y1622 VanDerWaalsContact O-N 3.08Å; S1619-E1623 WeakPolarHBondContact O-CG 3.42Å; S1619-E1623 PolarHBondContact O-N 3.17Å; S1619-H1762 PolarHBondContact N-O 3.1Å; S1619-H1762 VanDerWaalsContact N-O 3.08Å; S1619-H1762 WeakPolarHBondContact OG-CB 3.28Å; S1619-H1762 PolarHBondContact OG-ND1 3.27Å; S1619-Y1832 WeakPolarHBondContact CB-OH 3.32Å; S1619-H2072 VanDerWaalsContact CA-CE1 3.48Å; S1619-H2072 WeakPolarHBondContact CA-CE1 3.28Å |
| 1620 | Y | 79.9 | Confident | 73.7 | Confident | 38 Ų | 38 | 42.2 Ų | 42.2 | 15% | 0.149 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58 | -44.8 | 177.5 | 171 | -98.6 | 0 | 0 | 0 | 111.4 | S1617 S1618 Y1622 E1623 E1624 S1642 P1643 Q1644 F1883 F2065 | S1617-Y1620 VanDerWaalsContact O-CB 3.31Å; S1617-Y1620 WeakPolarHBondContact O-CB 3.29Å; S1617-Y1620 PolarHBondContact O-N 3.06Å; S1617-Y1620 VanDerWaalsContact O-N 3.12Å; S1618-Y1620 VanDerWaalsContact C-N 3.31Å; S1618-Y1620 PolarHBondContact O-N 3.05Å; Y1620-Y1622 VanDerWaalsContact C-N 3.29Å; Y1620-Y1622 PolarHBondContact O-N 3.22Å; Y1620-E1623 PolarHBondContact O-N 3.12Å; Y1620-E1623 VanDerWaalsContact O-N 3.14Å; Y1620-E1624 WeakPolarHBondContact CE1-OE2 3.34Å; Y1620-E1624 WeakPolarHBondContact O-CB 3.23Å; Y1620-E1624 PolarHBondContact O-N 3.3Å; Y1620-E1624 PolarHBondContact OH-OE2 3.29Å; Y1620-S1642 WeakPolarHBondContact CD2-O 3.39Å; Y1620-P1643 HydrophobicContact CD2-CB 4.08Å; Y1620-P1643 HydrophobicContact CD2-CG 4.3Å; Y1620-P1643 HydrophobicContact CE2-CB 4.28Å; Y1620-P1643 HydrophobicContact CE2-CG 4.02Å; Y1620-Q1644 HydrophobicContact CD1-CB 4.13Å; Y1620-Q1644 HydrophobicContact CD1-CG 4.04Å; Y1620-Q1644 HydrophobicContact CD2-CB 4.3Å; Y1620-Q1644 HydrophobicContact CD2-CG 4.02Å; Y1620-Q1644 HydrophobicContact CE1-CB 4.32Å; Y1620-Q1644 HydrophobicContact CE1-CG 3.85Å; Y1620-Q1644 HydrophobicContact CE2-CB 3.84Å; Y1620-Q1644 HydrophobicContact CE2-CG 3.8Å; Y1620-Q1644 VanDerWaalsContact CE2-CG 3.48Å; Y1620-Q1644 VanDerWaalsContact CG-CA 3.45Å; Y1620-Q1644 HydrophobicContact CG-CB 4.18Å; Y1620-Q1644 HydrophobicContact CG-CG 4.14Å; Y1620-F1883 HydrophobicContact CD1-CE1 4.42Å; Y1620-F1883 HydrophobicContact CD1-CZ 4.12Å; Y1620-F1883 AromaticContact CE1-CE1 3.78Å; Y1620-F1883 HydrophobicContact CE1-CE1 3.78Å; Y1620-F1883 AromaticContact CE1-CZ 3.65Å; Y1620-F1883 HydrophobicContact CE1-CZ 3.65Å; Y1620-F2065 HydrophobicContact CE1-CE1 4.17Å |
| 1621 | F | 79.7 | Confident | 72 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.1 | -34.7 | 176.9 | -58.5 | -84.4 | 0 | 0 | 0 | 112.8 | L1616 S1617 S1619 Y1625 H1879 F1883 F2065 V2068 A2069 | L1616-F1621 HydrophobicContact CD1-CE2 4.19Å; L1616-F1621 HydrophobicContact CD1-CZ 4.3Å; L1616-F1621 HydrophobicContact CD2-CE2 4.25Å; L1616-F1621 HydrophobicContact CD2-CZ 4.29Å; L1616-F1621 HydrophobicContact CG-CE2 4.18Å; L1616-F1621 HydrophobicContact CG-CZ 4.41Å; S1617-F1621 WeakPolarHBondContact O-CD2 3.22Å; S1619-F1621 VanDerWaalsContact C-N 3.28Å; S1619-F1621 PolarHBondContact O-N 3.17Å; F1621-Y1625 VanDerWaalsContact O-CB 3.28Å; F1621-Y1625 WeakPolarHBondContact O-CB 3.39Å; F1621-Y1625 PolarHBondContact O-N 3.22Å; F1621-Y1625 VanDerWaalsContact O-N 3.14Å; F1621-H1879 AromaticContact CD1-CE1 3.97Å; F1621-H1879 AromaticContact CD1-ND1 3.9Å; F1621-H1879 HydrophobicContact CE1-CB 4.35Å; F1621-H1879 AromaticContact CE1-CD2 3.83Å; F1621-H1879 AromaticContact CE1-CE1 3.52Å; F1621-H1879 VanDerWaalsContact CE1-CE1 3.43Å; F1621-H1879 WeakPolarHBondContact CE1-CE1 3.32Å; F1621-H1879 AromaticContact CE1-CG 3.68Å; F1621-H1879 AromaticContact CE1-ND1 3.33Å; F1621-H1879 VanDerWaalsContact CE1-ND1 3.32Å; F1621-H1879 WeakPolarHBondContact CE1-ND1 3.49Å; F1621-H1879 AromaticContact CE1-NE2 3.87Å; F1621-H1879 HydrophobicContact CZ-CB 4.01Å; F1621-H1879 AromaticContact CZ-CE1 3.95Å; F1621-H1879 AromaticContact CZ-CG 3.74Å; F1621-H1879 AromaticContact CZ-ND1 3.48Å; F1621-H1879 WeakPolarHBondContact CZ-ND1 3.37Å; F1621-F1883 AromaticContact CE1-CE2 3.54Å; F1621-F1883 HydrophobicContact CE1-CE2 3.54Å; F1621-F1883 AromaticContact CE1-CZ 3.81Å; F1621-F1883 HydrophobicContact CE1-CZ 3.94Å; F1621-F1883 HydrophobicContact CE2-CE2 4.43Å; F1621-F1883 HydrophobicContact CZ-CD2 4.25Å; F1621-F1883 AromaticContact CZ-CE2 3.42Å; F1621-F1883 HydrophobicContact CZ-CE2 3.42Å; F1621-F1883 VanDerWaalsContact CZ-CE2 3.48Å; F1621-F1883 AromaticContact CZ-CZ 3.97Å; F1621-F1883 HydrophobicContact CZ-CZ 4.16Å; F1621-F2065 HydrophobicContact CD1-CB 4.43Å; F1621-F2065 AromaticContact CD1-CD1 3.84Å; F1621-F2065 HydrophobicContact CD1-CD1 3.84Å; F1621-F2065 HydrophobicContact CD1-CD2 4.28Å; F1621-F2065 AromaticContact CD1-CE1 3.93Å; F1621-F2065 HydrophobicContact CD1-CE1 4.13Å; F1621-F2065 AromaticContact CD1-CG 3.96Å; F1621-F2065 HydrophobicContact CD1-CG 3.99Å; F1621-F2065 HydrophobicContact CE1-CD1 4.37Å; F1621-F2065 HydrophobicContact CE1-CD2 4.31Å; F1621-F2065 HydrophobicContact CE1-CE1 4.28Å; F1621-F2065 HydrophobicContact CE1-CE2 4.23Å; F1621-F2065 HydrophobicContact CE1-CG 4.42Å; F1621-F2065 HydrophobicContact CE1-CZ 4.29Å; F1621-V2068 HydrophobicContact CB-CB 4.18Å; F1621-V2068 HydrophobicContact CB-CG1 3.93Å; F1621-V2068 HydrophobicContact CD1-CB 4.13Å; F1621-V2068 HydrophobicContact CD1-CG1 4.11Å; F1621-V2068 HydrophobicContact CD1-CG2 4.49Å; F1621-V2068 HydrophobicContact CD2-CB 4.31Å; F1621-V2068 HydrophobicContact CD2-CG1 3.42Å; F1621-V2068 VanDerWaalsContact CD2-CG1 3.45Å; F1621-V2068 HydrophobicContact CE1-CB 4.48Å; F1621-V2068 HydrophobicContact CE1-CG1 4.36Å; F1621-V2068 HydrophobicContact CE2-CG1 3.85Å; F1621-V2068 HydrophobicContact CG-CB 3.95Å; F1621-V2068 HydrophobicContact CG-CG1 3.54Å; F1621-V2068 HydrophobicContact CZ-CG1 4.25Å; F1621-A2069 HydrophobicContact CB-CB 4.42Å; F1621-A2069 WeakPolarHBondContact O-CB 3.48Å |
| 1622 | Y | 75.7 | Confident | 70 | Confident | 62.6 Ų | 62.6 | 49.7 Ų | 49.7 | 25% | 0.245 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.7 | -47.9 | 174.8 | 170.1 | -99.5 | 0 | 0 | 0 | 111.2 | S1619 Y1620 E1624 Y1625 Y1626 Y1832 H2072 I2073 | S1619-Y1622 WeakPolarHBondContact O-CA 3.23Å; S1619-Y1622 WeakPolarHBondContact O-CB 3.37Å; S1619-Y1622 PolarHBondContact O-N 3.3Å; S1619-Y1622 VanDerWaalsContact O-N 3.08Å; Y1620-Y1622 VanDerWaalsContact C-N 3.29Å; Y1620-Y1622 PolarHBondContact O-N 3.22Å; Y1622-E1624 PolarHBondContact O-N 3.43Å; Y1622-Y1625 PolarHBondContact O-N 3.11Å; Y1622-Y1626 AromaticContact CD2-CD2 3.37Å; Y1622-Y1626 HydrophobicContact CD2-CD2 3.37Å; Y1622-Y1626 VanDerWaalsContact CD2-CD2 3.45Å; Y1622-Y1626 AromaticContact CD2-CE2 3.79Å; Y1622-Y1626 HydrophobicContact CD2-CE2 3.79Å; Y1622-Y1626 HydrophobicContact CD2-CG 4.29Å; Y1622-Y1626 AromaticContact CE2-CD2 3.4Å; Y1622-Y1626 HydrophobicContact CE2-CD2 3.4Å; Y1622-Y1626 VanDerWaalsContact CE2-CD2 3.48Å; Y1622-Y1626 AromaticContact CE2-CE2 3.54Å; Y1622-Y1626 HydrophobicContact CE2-CE2 3.86Å; Y1622-Y1626 AromaticContact CE2-CG 3.85Å; Y1622-Y1626 HydrophobicContact CE2-CG 3.96Å; Y1622-Y1626 HydrophobicContact CG-CD2 4.26Å; Y1622-Y1626 AromaticContact CZ-CD2 3.78Å; Y1622-Y1626 WeakPolarHBondContact O-CB 3.29Å; Y1622-Y1626 WeakPolarHBondContact O-CD2 3.35Å; Y1622-Y1626 PolarHBondContact O-N 3.2Å; Y1622-Y1832 HydrophobicContact CD1-CD1 4.49Å; Y1622-Y1832 AromaticContact CD1-CE1 3.92Å; Y1622-Y1832 HydrophobicContact CD1-CE1 4.01Å; Y1622-Y1832 HydrophobicContact CE1-CD1 4.32Å; Y1622-Y1832 AromaticContact CE1-CE1 3.95Å; Y1622-Y1832 HydrophobicContact CE1-CE1 4.08Å; Y1622-Y1832 HydrophobicContact CG-CE1 4.41Å; Y1622-H2072 VanDerWaalsContact CB-CD2 3.49Å; Y1622-H2072 WeakPolarHBondContact CB-CD2 3.29Å; Y1622-H2072 AromaticContact CG-CD2 3.91Å; Y1622-I2073 HydrophobicContact CD2-CD1 3.66Å; Y1622-I2073 HydrophobicContact CD2-CG1 3.48Å; Y1622-I2073 VanDerWaalsContact CD2-CG1 3.45Å; Y1622-I2073 HydrophobicContact CE2-CD1 3.65Å; Y1622-I2073 HydrophobicContact CE2-CG1 3.61Å |
| 1623 | E | 75.1 | Confident | 68.1 | Low | 78.6 Ų | 78.6 | 56.3 Ų | 56.3 | 37% | 0.367 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.2 | -38.2 | 179.4 | -71.6 | -179.2 | -164.6 | 0 | 0 | 112.6 | S1619 Y1620 Y1625 G1627 S1642 | S1619-E1623 WeakPolarHBondContact O-CG 3.42Å; S1619-E1623 PolarHBondContact O-N 3.17Å; Y1620-E1623 PolarHBondContact O-N 3.12Å; Y1620-E1623 VanDerWaalsContact O-N 3.14Å; E1623-Y1625 VanDerWaalsContact C-N 3.35Å; E1623-Y1625 PolarHBondContact O-N 3.24Å; E1623-G1627 WeakPolarHBondContact O-CA 3.41Å; E1623-G1627 PolarHBondContact O-N 3.07Å; E1623-S1642 VanDerWaalsContact CD-CB 3.41Å; E1623-S1642 WeakPolarHBondContact OE1-CB 3.41Å; E1623-S1642 PolarHBondContact OE1-OG 3.28Å; E1623-S1642 WeakPolarHBondContact OE2-CB 3.38Å; E1623-S1642 PolarHBondContact OE2-N 2.9Å; E1623-S1642 PolarHBondContact OE2-OG 3.22Å |
| 1624 | E | 74.7 | Confident | 66 | Low | 66.2 Ų | 66.2 | 61.2 Ų | 61.2 | 31% | 0.309 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 175.6 | -172 | 173.2 | 166.5 | 0 | 0 | 111.3 | Y1620 Y1622 S1628 R2061 F2065 | Y1620-E1624 WeakPolarHBondContact CE1-OE2 3.34Å; Y1620-E1624 WeakPolarHBondContact O-CB 3.23Å; Y1620-E1624 PolarHBondContact O-N 3.3Å; Y1620-E1624 PolarHBondContact OH-OE2 3.29Å; Y1622-E1624 PolarHBondContact O-N 3.43Å; E1624-S1628 WeakPolarHBondContact O-CB 3.43Å; E1624-S1628 PolarHBondContact O-N 3.36Å; E1624-S1628 PolarHBondContact O-OG 3.14Å; E1624-R2061 IonicContact OE1-NH2 2.86Å; E1624-F2065 WeakPolarHBondContact OE1-CE1 3.36Å; E1624-F2065 WeakPolarHBondContact OE2-CD1 3.38Å; E1624-F2065 WeakPolarHBondContact OE2-CE1 3.21Å |
| 1625 | Y | 70.1 | Confident | 63.5 | Low | 70.8 Ų | 70.8 | 65.9 Ų | 65.9 | 28% | 0.278 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -76.3 | -41.7 | -177.4 | -174.8 | -98.5 | 0 | 0 | 0 | 113.7 | F1621 Y1622 E1623 K1629 R2066 A2069 | F1621-Y1625 VanDerWaalsContact O-CB 3.28Å; F1621-Y1625 WeakPolarHBondContact O-CB 3.39Å; F1621-Y1625 PolarHBondContact O-N 3.22Å; F1621-Y1625 VanDerWaalsContact O-N 3.14Å; Y1622-Y1625 PolarHBondContact O-N 3.11Å; E1623-Y1625 VanDerWaalsContact C-N 3.35Å; E1623-Y1625 PolarHBondContact O-N 3.24Å; Y1625-K1629 VanDerWaalsContact CZ-NZ 3.28Å; Y1625-K1629 PolarHBondContact OH-NZ 3.24Å; Y1625-R2066 HydrophobicContact CD2-CB 4.1Å; Y1625-R2066 HydrophobicContact CD2-CG 4.29Å; Y1625-R2066 HydrophobicContact CE1-CG 4.08Å; Y1625-R2066 HydrophobicContact CE2-CB 3.76Å; Y1625-R2066 HydrophobicContact CE2-CG 3.64Å; Y1625-R2066 VanDerWaalsContact CZ-CG 3.48Å; Y1625-R2066 WeakPolarHBondContact OH-CD 3.32Å; Y1625-A2069 HydrophobicContact CD1-CB 4.46Å; Y1625-A2069 HydrophobicContact CG-CB 4.42Å |
| 1626 | Y | 68.3 | Low | 60.9 | Low | 75.4 Ų | 75.4 | 73.4 Ų | 73.4 | 30% | 0.296 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -94.5 | -33.3 | -178.7 | -72.6 | -81.7 | 0 | 0 | 0 | 113.5 | Y1622 S1628 K1629 A1630 A2069 H2070 I2073 | Y1622-Y1626 AromaticContact CD2-CD2 3.37Å; Y1622-Y1626 HydrophobicContact CD2-CD2 3.37Å; Y1622-Y1626 VanDerWaalsContact CD2-CD2 3.45Å; Y1622-Y1626 AromaticContact CD2-CE2 3.79Å; Y1622-Y1626 HydrophobicContact CD2-CE2 3.79Å; Y1622-Y1626 HydrophobicContact CD2-CG 4.29Å; Y1622-Y1626 AromaticContact CE2-CD2 3.4Å; Y1622-Y1626 HydrophobicContact CE2-CD2 3.4Å; Y1622-Y1626 VanDerWaalsContact CE2-CD2 3.48Å; Y1622-Y1626 AromaticContact CE2-CE2 3.54Å; Y1622-Y1626 HydrophobicContact CE2-CE2 3.86Å; Y1622-Y1626 AromaticContact CE2-CG 3.85Å; Y1622-Y1626 HydrophobicContact CE2-CG 3.96Å; Y1622-Y1626 HydrophobicContact CG-CD2 4.26Å; Y1622-Y1626 AromaticContact CZ-CD2 3.78Å; Y1622-Y1626 WeakPolarHBondContact O-CB 3.29Å; Y1622-Y1626 WeakPolarHBondContact O-CD2 3.35Å; Y1622-Y1626 PolarHBondContact O-N 3.2Å; Y1626-S1628 VanDerWaalsContact C-N 3.32Å; Y1626-S1628 PolarHBondContact O-N 3.29Å; Y1626-K1629 WeakPolarHBondContact O-CB 3.33Å; Y1626-K1629 PolarHBondContact O-N 3.02Å; Y1626-K1629 VanDerWaalsContact O-N 3.09Å; Y1626-A1630 PolarHBondContact O-N 3.26Å; Y1626-A2069 HydrophobicContact CE2-CB 4.32Å; Y1626-H2070 PolarHBondContact OH-CE1 3.23Å; Y1626-H2070 VanDerWaalsContact OH-CE1 3.25Å; Y1626-I2073 HydrophobicContact CD2-CD1 4.12Å; Y1626-I2073 HydrophobicContact CE2-CD1 3.32Å; Y1626-I2073 WeakPolarHBondContact OH-CD1 3.38Å |
| 1627 | G | 60.5 | Low | 58.3 | Low | 23.6 Ų | 23.6 | 78.5 Ų | 78.5 | 24% | 0.243 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -66.5 | -29.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1623 K1629 A1630 K1631 | E1623-G1627 WeakPolarHBondContact O-CA 3.41Å; E1623-G1627 PolarHBondContact O-N 3.07Å; G1627-K1629 VanDerWaalsContact C-N 3.32Å; G1627-K1629 PolarHBondContact O-N 3.16Å; G1627-K1629 VanDerWaalsContact O-N 3.14Å; G1627-A1630 PolarHBondContact O-N 3.2Å; G1627-A1630 VanDerWaalsContact O-N 3.11Å; G1627-K1631 WeakPolarHBondContact O-CG 3.44Å; G1627-K1631 PolarHBondContact O-N 3.15Å |
| 1628 | S | 53.9 | Low | 56.1 | Low | 84 Ų | 84 | 84.8 Ų | 84.8 | 59% | 0.587 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.2 | -26.3 | 172.5 | -54.4 | 0 | 0 | 0 | 0 | 113.1 | E1624 Y1626 | E1624-S1628 WeakPolarHBondContact O-CB 3.43Å; E1624-S1628 PolarHBondContact O-N 3.36Å; E1624-S1628 PolarHBondContact O-OG 3.14Å; Y1626-S1628 VanDerWaalsContact C-N 3.32Å; Y1626-S1628 PolarHBondContact O-N 3.29Å |
| 1629 | K | 47.3 | Very low | 53.8 | Low | 151 Ų | 151 | 93.1 Ų | 93.1 | 66% | 0.657 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -83.2 | -28.7 | 173.7 | -64.7 | -175.4 | -180 | -180 | 0 | 113.1 | Y1625 Y1626 G1627 K1631 S1632 | Y1625-K1629 VanDerWaalsContact CZ-NZ 3.28Å; Y1625-K1629 PolarHBondContact OH-NZ 3.24Å; Y1626-K1629 WeakPolarHBondContact O-CB 3.33Å; Y1626-K1629 PolarHBondContact O-N 3.02Å; Y1626-K1629 VanDerWaalsContact O-N 3.09Å; G1627-K1629 VanDerWaalsContact C-N 3.32Å; G1627-K1629 PolarHBondContact O-N 3.16Å; G1627-K1629 VanDerWaalsContact O-N 3.14Å; K1629-K1631 VanDerWaalsContact C-N 3.28Å; K1629-K1631 PolarHBondContact O-N 3.13Å; K1629-S1632 WeakPolarHBondContact O-CB 3.42Å; K1629-S1632 PolarHBondContact O-N 3.36Å; K1629-S1632 PolarHBondContact O-OG 3.33Å |
| 1630 | A | 46.4 | Very low | 51.9 | Low | 73.6 Ų | 73.6 | 99.3 Ų | 99.3 | 61% | 0.608 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -82.8 | -20.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y1626 G1627 S1632 N1633 | Y1626-A1630 PolarHBondContact O-N 3.26Å; G1627-A1630 PolarHBondContact O-N 3.2Å; G1627-A1630 VanDerWaalsContact O-N 3.11Å; A1630-S1632 PolarHBondContact O-N 3.02Å; A1630-S1632 VanDerWaalsContact O-N 3.13Å; A1630-N1633 PolarHBondContact O-N 3.43Å |
| 1631 | K | 40.1 | Very low | 50.3 | Low | 171.2 Ų | 171.2 | 105.3 Ų | 105.3 | 74% | 0.744 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 0.6 | 179.4 | -81.2 | 179.2 | 179.8 | 179.1 | 0 | 115 | G1627 K1629 N1633 | G1627-K1631 WeakPolarHBondContact O-CG 3.44Å; G1627-K1631 PolarHBondContact O-N 3.15Å; K1629-K1631 VanDerWaalsContact C-N 3.28Å; K1629-K1631 PolarHBondContact O-N 3.13Å; K1631-N1633 VanDerWaalsContact C-N 3.31Å; K1631-N1633 PolarHBondContact O-N 3.11Å |
| 1632 | S | 42.7 | Very low | 49.1 | Very low | 89.4 Ų | 89.4 | 105.9 Ų | 105.9 | 63% | 0.625 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 22.8 | 173 | 72.8 | 0 | 0 | 0 | 0 | 112.9 | K1629 A1630 | K1629-S1632 WeakPolarHBondContact O-CB 3.42Å; K1629-S1632 PolarHBondContact O-N 3.36Å; K1629-S1632 PolarHBondContact O-OG 3.33Å; A1630-S1632 PolarHBondContact O-N 3.02Å; A1630-S1632 VanDerWaalsContact O-N 3.13Å |
| 1633 | N | 38.5 | Very low | 48.8 | Very low | 144.2 Ų | 144.2 | 106.5 Ų | 106.5 | 77% | 0.771 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -171.9 | 29 | 174.2 | -67 | -23.8 | 0 | 0 | 0 | 117.2 | A1630 K1631 | A1630-N1633 PolarHBondContact O-N 3.43Å; K1631-N1633 VanDerWaalsContact C-N 3.31Å; K1631-N1633 PolarHBondContact O-N 3.11Å |
| 1634 | V | 38.3 | Very low | 48.7 | Very low | 111.4 Ų | 111.4 | 103.9 Ų | 103.9 | 68% | 0.675 | 57% | 0.566 | S | S | * | * | trans | -156.6 | 105.3 | 166.9 | -168.9 | 0 | 0 | 0 | 0 | 111.8 | H1636 | V1634-H1636 VanDerWaalsContact CG1-CD2 3.47Å; V1634-H1636 WeakPolarHBondContact CG1-CD2 3.46Å; V1634-H1636 WeakPolarHBondContact CG1-NE2 3.34Å; V1634-H1636 PolarHBondContact O-N 3.15Å; V1634-H1636 VanDerWaalsContact O-N 3.11Å | ||
| 1635 | S | 30.8 | Very low | 49 | Very low | 116.6 Ų | 116.6 | 101.5 Ų | 101.5 | 82% | 0.815 | 55% | 0.554 | S | S | * | * | trans | -72.2 | 92.1 | 167.5 | 52 | 0 | 0 | 0 | 0 | 110.4 | S1637 | S1635-S1637 PolarHBondContact O-N 3.14Š| ||
| 1636 | H | 30.9 | Very low | 49.7 | Very low | 158.4 Ų | 158.4 | 99.2 Ų | 99.2 | 73% | 0.733 | 55% | 0.547 | S | S | * | . | trans | -115 | 112 | 159.3 | -83.3 | -59.8 | 0 | 0 | 0 | 110.4 | V1634 I1638 | V1634-H1636 VanDerWaalsContact CG1-CD2 3.47Å; V1634-H1636 WeakPolarHBondContact CG1-CD2 3.46Å; V1634-H1636 WeakPolarHBondContact CG1-NE2 3.34Å; V1634-H1636 PolarHBondContact O-N 3.15Å; V1634-H1636 VanDerWaalsContact O-N 3.11Å; H1636-I1638 HydrophobicContact CB-CG1 4.45Å; H1636-I1638 PolarHBondContact O-N 3.28Å | ||
| 1637 | S | 28.1 | Very low | 50.6 | Low | 112.2 Ų | 112.2 | 98.9 Ų | 98.9 | 79% | 0.785 | 55% | 0.545 | S | S | * | . | trans | -43.6 | 91.4 | 163.4 | 73.6 | 0 | 0 | 0 | 0 | 113.6 | S1635 Q1639 | S1635-S1637 PolarHBondContact O-N 3.14Å; S1637-Q1639 PolarHBondContact O-N 3.44Å | ||
| 1638 | I | 36 | Very low | 52.1 | Low | 138.8 Ų | 138.8 | 97.7 Ų | 97.7 | 71% | 0.712 | 53% | 0.534 | S | S | * | . | trans | -90.5 | 98.4 | 157.3 | -52.5 | 178.2 | 0 | 0 | 0 | 109.6 | H1636 N1640 | H1636-I1638 HydrophobicContact CB-CG1 4.45Å; H1636-I1638 PolarHBondContact O-N 3.28Å; I1638-N1640 VanDerWaalsContact C-N 3.34Å; I1638-N1640 WeakPolarHBondContact CG2-OD1 3.45Å; I1638-N1640 PolarHBondContact O-N 3.16Å | ||
| 1639 | Q | 33 | Very low | 53.8 | Low | 182.2 Ų | 182.2 | 94.1 Ų | 94.1 | 85% | 0.851 | 51% | 0.508 | S | S | * | . | trans | -73.1 | 93.1 | 168.7 | -68.3 | 175.5 | -16 | 0 | 0 | 109.2 | S1637 E1641 | S1637-Q1639 PolarHBondContact O-N 3.44Å; Q1639-E1641 HydrophobicContact CB-CG 4.4Å; Q1639-E1641 PolarHBondContact O-N 3.09Å | ||
| 1640 | N | 40 | Very low | 55.8 | Low | 133.8 Ų | 133.8 | 87.1 Ų | 87.1 | 72% | 0.716 | 48% | 0.478 | S | S | * | . | trans | -85.3 | 101.7 | 165.3 | -83.1 | -12.1 | 0 | 0 | 0 | 107.7 | I1638 S1642 | I1638-N1640 VanDerWaalsContact C-N 3.34Å; I1638-N1640 WeakPolarHBondContact CG2-OD1 3.45Å; I1638-N1640 PolarHBondContact O-N 3.16Å; N1640-S1642 PolarHBondContact O-N 2.99Å; N1640-S1642 VanDerWaalsContact O-N 3.14Å | ||
| 1641 | E | 46.8 | Very low | 58 | Low | 163 Ų | 163 | 83.6 Ų | 83.6 | 76% | 0.762 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 116 | 170.5 | -65 | -173.5 | 152.9 | 0 | 0 | 109.3 | Q1639 | Q1639-E1641 HydrophobicContact CB-CG 4.4Å; Q1639-E1641 PolarHBondContact O-N 3.09Å |
| 1642 | S | 54.9 | Low | 60.5 | Low | 17 Ų | 17 | 75.4 Ų | 75.4 | 12% | 0.119 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 121.4 | 175 | 53 | 0 | 0 | 0 | 0 | 110.9 | Y1620 E1623 N1640 Q1644 Y1645 Y1647 | Y1620-S1642 WeakPolarHBondContact CD2-O 3.39Å; E1623-S1642 VanDerWaalsContact CD-CB 3.41Å; E1623-S1642 WeakPolarHBondContact OE1-CB 3.41Å; E1623-S1642 PolarHBondContact OE1-OG 3.28Å; E1623-S1642 WeakPolarHBondContact OE2-CB 3.38Å; E1623-S1642 PolarHBondContact OE2-N 2.9Å; E1623-S1642 PolarHBondContact OE2-OG 3.22Å; N1640-S1642 PolarHBondContact O-N 2.99Å; N1640-S1642 VanDerWaalsContact O-N 3.14Å; S1642-Q1644 VanDerWaalsContact C-OE1 3.28Å; S1642-Q1644 PolarHBondContact O-N 3.11Å; S1642-Q1644 VanDerWaalsContact O-N 3.15Å; S1642-Y1645 PolarHBondContact O-N 2.96Å; S1642-Y1647 WeakPolarHBondContact OG-CE2 3.05Å; S1642-Y1647 PolarHBondContact OG-OH 3.21Å; S1642-Y1647 VanDerWaalsContact OG-OH 3.07Å |
| 1643 | P | 67.5 | Low | 62.9 | Low | 74.4 Ų | 74.4 | 71.2 Ų | 71.2 | 48% | 0.483 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 87.1 | -175 | 27.8 | -35.1 | 0 | 0 | 0 | 111.6 | S1617 Y1620 Y1645 | S1617-P1643 WeakPolarHBondContact CB-O 3.43Å; S1617-P1643 PolarHBondContact OG-O 3.43Å; Y1620-P1643 HydrophobicContact CD2-CB 4.08Å; Y1620-P1643 HydrophobicContact CD2-CG 4.3Å; Y1620-P1643 HydrophobicContact CE2-CB 4.28Å; Y1620-P1643 HydrophobicContact CE2-CG 4.02Å; P1643-Y1645 VanDerWaalsContact C-N 3.34Å; P1643-Y1645 WeakPolarHBondContact CB-O 3.35Å; P1643-Y1645 PolarHBondContact O-N 3.01Å; P1643-Y1645 VanDerWaalsContact O-N 3.15Å |
| 1644 | Q | 74.7 | Confident | 65.6 | Low | 25.6 Ų | 25.6 | 64.4 Ų | 64.4 | 12% | 0.12 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -61.8 | -26.3 | 176.4 | -69.8 | 144.7 | 5.7 | 0 | 0 | 112.4 | S1617 Y1620 S1642 F1883 Y1886 | S1617-Q1644 VanDerWaalsContact CB-O 3.28Å; S1617-Q1644 WeakPolarHBondContact CB-O 3.45Å; S1617-Q1644 PolarHBondContact N-O 3.16Å; Y1620-Q1644 HydrophobicContact CD1-CB 4.13Å; Y1620-Q1644 HydrophobicContact CD1-CG 4.04Å; Y1620-Q1644 HydrophobicContact CD2-CB 4.3Å; Y1620-Q1644 HydrophobicContact CD2-CG 4.02Å; Y1620-Q1644 HydrophobicContact CE1-CB 4.32Å; Y1620-Q1644 HydrophobicContact CE1-CG 3.85Å; Y1620-Q1644 HydrophobicContact CE2-CB 3.84Å; Y1620-Q1644 HydrophobicContact CE2-CG 3.8Å; Y1620-Q1644 VanDerWaalsContact CE2-CG 3.48Å; Y1620-Q1644 VanDerWaalsContact CG-CA 3.45Å; Y1620-Q1644 HydrophobicContact CG-CB 4.18Å; Y1620-Q1644 HydrophobicContact CG-CG 4.14Å; S1642-Q1644 VanDerWaalsContact C-OE1 3.28Å; S1642-Q1644 PolarHBondContact O-N 3.11Å; S1642-Q1644 VanDerWaalsContact O-N 3.15Å; Q1644-F1883 HydrophobicContact CB-CD1 3.95Å; Q1644-F1883 HydrophobicContact CB-CE1 4.27Å; Q1644-F1883 HydrophobicContact CB-CG 4.25Å; Q1644-F1883 HydrophobicContact CG-CD1 3.81Å; Q1644-F1883 HydrophobicContact CG-CE1 3.85Å; Q1644-F1883 HydrophobicContact CG-CG 4.41Å; Q1644-F1883 VanDerWaalsContact OE1-CD1 3.28Å; Q1644-Y1886 VanDerWaalsContact NE2-CE1 3.28Å |
| 1645 | Y | 80.4 | Confident | 68.3 | Low | 14 Ų | 14 | 59.1 Ų | 59.1 | 6% | 0.055 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 135.9 | -177.7 | -64.9 | -81.1 | 0 | 0 | 0 | 111.9 | R1614 L1615 L1616 S1642 P1643 F1883 S1884 D1887 | R1614-Y1645 HydrophobicContact CB-CD1 4.22Å; R1614-Y1645 HydrophobicContact CB-CG 4.46Å; R1614-Y1645 HydrophobicContact CG-CD1 4.13Å; R1614-Y1645 HydrophobicContact CG-CE1 4.4Å; R1614-Y1645 HydrophobicContact CG-CG 4.12Å; R1614-Y1645 VanDerWaalsContact CZ-CD1 3.47Å; R1614-Y1645 VanDerWaalsContact CZ-CE2 3.42Å; R1614-Y1645 VanDerWaalsContact CZ-CG 3.44Å; R1614-Y1645 VanDerWaalsContact NH1-CE2 3.3Å; R1614-Y1645 VanDerWaalsContact NH1-CZ 3.27Å; R1614-Y1645 VanDerWaalsContact NH2-CE1 3.33Å; R1614-Y1645 VanDerWaalsContact NH2-CG 3.3Å; L1615-Y1645 CarbonylContact O-C 3.46Å; L1615-Y1645 VanDerWaalsContact O-CA 3.28Å; L1615-Y1645 WeakPolarHBondContact O-CA 3.35Å; L1615-Y1645 WeakPolarHBondContact O-CB 3.47Å; L1615-Y1645 WeakPolarHBondContact O-CD1 3.45Å; L1616-Y1645 HydrophobicContact CD1-CD1 4.18Å; L1616-Y1645 HydrophobicContact CD1-CE1 4.32Å; S1642-Y1645 PolarHBondContact O-N 2.96Å; P1643-Y1645 VanDerWaalsContact C-N 3.34Å; P1643-Y1645 WeakPolarHBondContact CB-O 3.35Å; P1643-Y1645 PolarHBondContact O-N 3.01Å; P1643-Y1645 VanDerWaalsContact O-N 3.15Å; Y1645-F1883 HydrophobicContact CE2-CB 3.98Å; Y1645-F1883 WeakPolarHBondContact OH-CB 3.46Å; Y1645-F1883 PolarHBondContact OH-O 3.46Å; Y1645-S1884 VanDerWaalsContact OH-CA 3.28Å; Y1645-S1884 WeakPolarHBondContact OH-CA 3.39Å; Y1645-S1884 PolarHBondContact OH-N 3.15Å; Y1645-D1887 HydrophobicContact CE2-CB 4.06Å; Y1645-D1887 VanDerWaalsContact CE2-OD2 3.25Å; Y1645-D1887 WeakPolarHBondContact CE2-OD2 3.37Å |
| 1646 | L | 85.5 | Confident | 71.3 | Confident | 23.2 Ų | 23.2 | 53.6 Ų | 53.6 | 12% | 0.121 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 119.9 | 167.7 | -179.6 | 70.4 | 0 | 0 | 0 | 108.8 | L1615 I1648 V1759 H1762 | L1615-L1646 HydrophobicContact CB-CB 4.35Å; L1615-L1646 VanDerWaalsContact CB-O 3.31Å; L1615-L1646 WeakPolarHBondContact CB-O 3.31Å; L1615-L1646 HydrophobicContact CD1-CD2 4.32Å; L1615-L1646 PolarHBondContact N-O 3.08Å; L1615-L1646 PolarHBondContact O-N 3.14Å; L1646-I1648 HydrophobicContact CD2-CG2 4.02Å; L1646-I1648 HydrophobicContact CG-CG2 4.04Å; L1646-V1759 HydrophobicContact CD2-CB 4.31Å; L1646-V1759 HydrophobicContact CD2-CG2 3.62Å; L1646-V1759 VanDerWaalsContact CD2-CG2 3.43Å; L1646-H1762 HydrophobicContact CD2-CB 4.48Å |
| 1647 | Y | 87.4 | Confident | 74.3 | Confident | 68.6 Ų | 68.6 | 46.2 Ų | 46.2 | 27% | 0.269 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 130.1 | 171.9 | -66.9 | -92.6 | 0 | 0 | 0 | 109.7 | K1611 F1613 R1614 S1642 | K1611-Y1647 VanDerWaalsContact CD-O 3.32Å; K1611-Y1647 WeakPolarHBondContact CD-O 3.22Å; K1611-Y1647 PolarHBondContact NZ-O 3.12Å; F1613-Y1647 CarbonylContact O-C 3.59Å; F1613-Y1647 VanDerWaalsContact O-CA 3.31Å; F1613-Y1647 WeakPolarHBondContact O-CA 3.44Å; R1614-Y1647 HydrophobicContact CB-CD1 4.25Å; R1614-Y1647 HydrophobicContact CB-CE1 4.05Å; R1614-Y1647 HydrophobicContact CG-CD1 4.46Å; R1614-Y1647 HydrophobicContact CG-CE1 4.03Å; R1614-Y1647 PolarHBondContact NE-OH 3.14Å; R1614-Y1647 VanDerWaalsContact NE-OH 3.1Å; R1614-Y1647 PolarHBondContact NH2-OH 3.42Å; S1642-Y1647 WeakPolarHBondContact OG-CE2 3.05Å; S1642-Y1647 PolarHBondContact OG-OH 3.21Å; S1642-Y1647 VanDerWaalsContact OG-OH 3.07Å |
| 1648 | I | 90 | Very high | 77.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 159.7 | 176 | 64.3 | 164.2 | 0 | 0 | 0 | 111.2 | K1611 T1612 F1613 L1615 L1646 A1653 L1656 D1755 V1759 | K1611-I1648 CarbonylContact C-O 3.42Å; K1611-I1648 VanDerWaalsContact C-O 3.24Å; K1611-I1648 VanDerWaalsContact CA-O 3.29Å; K1611-I1648 WeakPolarHBondContact CA-O 3.39Å; T1612-I1648 PolarHBondContact N-O 3.07Å; T1612-I1648 VanDerWaalsContact N-O 3.12Å; F1613-I1648 HydrophobicContact CB-CG1 4.09Å; F1613-I1648 HydrophobicContact CD1-CD1 4.09Å; F1613-I1648 HydrophobicContact CD1-CG1 4.3Å; F1613-I1648 PolarHBondContact N-O 3.13Å; F1613-I1648 PolarHBondContact O-N 3.26Å; L1615-I1648 HydrophobicContact CD1-CD1 3.51Å; L1615-I1648 VanDerWaalsContact CD1-CD1 3.49Å; L1615-I1648 HydrophobicContact CD1-CG1 3.96Å; L1615-I1648 HydrophobicContact CD1-CG2 4.06Å; L1615-I1648 HydrophobicContact CD2-CD1 4.3Å; L1615-I1648 HydrophobicContact CG-CD1 3.97Å; L1615-I1648 HydrophobicContact CG-CG1 4.05Å; L1646-I1648 HydrophobicContact CD2-CG2 4.02Å; L1646-I1648 HydrophobicContact CG-CG2 4.04Å; I1648-A1653 HydrophobicContact CD1-CB 3.71Å; I1648-A1653 HydrophobicContact CG1-CB 4.34Å; I1648-L1656 HydrophobicContact CD1-CD1 4.05Å; I1648-D1755 HydrophobicContact CB-CB 4.2Å; I1648-D1755 HydrophobicContact CG2-CB 4.03Å; I1648-V1759 HydrophobicContact CG2-CG2 3.78Å |
| 1649 | H | 91.1 | Very high | 80.2 | Confident | 8 Ų | 8 | 34.3 Ų | 34.3 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | trans | -68.6 | 142.9 | 173.6 | -176.5 | -137.6 | 0 | 0 | 0 | 111.1 | R1608 A1610 L1651 S1652 A1653 V1748 T1751 D1755 | R1608-H1649 PolarHBondContact O-CE1 3.39Å; R1608-H1649 PolarHBondContact O-NE2 3.08Å; A1610-H1649 PolarHBondContact O-CD2 3.42Å; H1649-L1651 VanDerWaalsContact C-N 3.29Å; H1649-L1651 WeakPolarHBondContact CD2-CB 3.39Å; H1649-L1651 PolarHBondContact CD2-N 2.87Å; H1649-L1651 VanDerWaalsContact CE1-CB 3.45Å; H1649-L1651 WeakPolarHBondContact CE1-CB 3.37Å; H1649-L1651 WeakPolarHBondContact ND1-CB 3.42Å; H1649-L1651 PolarHBondContact ND1-N 3.39Å; H1649-L1651 PolarHBondContact O-N 3.17Å; H1649-S1652 WeakPolarHBondContact O-CA 3.25Å; H1649-S1652 VanDerWaalsContact O-CB 3.27Å; H1649-S1652 WeakPolarHBondContact O-CB 3.36Å; H1649-S1652 PolarHBondContact O-N 3.15Å; H1649-S1652 PolarHBondContact O-OG 2.89Å; H1649-A1653 PolarHBondContact O-N 3.05Å; H1649-A1653 VanDerWaalsContact O-N 3.14Å; H1649-V1748 VanDerWaalsContact CE1-CG1 3.44Å; H1649-V1748 WeakPolarHBondContact CE1-CG1 3.5Å; H1649-T1751 HydrophobicContact CB-CG2 4Å; H1649-D1755 VanDerWaalsContact CB-OD2 3.3Å; H1649-D1755 WeakPolarHBondContact CB-OD2 3.39Å; H1649-D1755 PolarHBondContact N-OD2 3.22Å | ||
| 1650 | A | 89.7 | Confident | 83.1 | Confident | 3.4 Ų | 3.4 | 25.6 Ų | 25.6 | 3% | 0.028 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.8 | -34.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1497 F1613 S1652 A1653 L1654 | L1497-A1650 HydrophobicContact CD2-CB 3.86Å; L1497-A1650 HydrophobicContact CG-CB 4.07Å; F1613-A1650 VanDerWaalsContact CD2-CA 3.43Å; F1613-A1650 HydrophobicContact CD2-CB 3.56Å; F1613-A1650 HydrophobicContact CE2-CB 3.4Å; F1613-A1650 VanDerWaalsContact CE2-CB 3.4Å; A1650-S1652 VanDerWaalsContact C-N 3.34Å; A1650-S1652 PolarHBondContact O-N 3.11Å; A1650-A1653 PolarHBondContact O-N 3.26Å; A1650-L1654 WeakPolarHBondContact O-CG 3.37Å; A1650-L1654 PolarHBondContact O-N 3.25Å |
| 1651 | L | 91.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.4 | -38.8 | 174.6 | -169.3 | 64.7 | 0 | 0 | 0 | 112.1 | L1497 I1576 F1580 H1649 A1653 L1654 F1655 L1733 V1748 V1752 | L1497-L1651 HydrophobicContact CD2-CB 4.23Å; I1576-L1651 HydrophobicContact CG2-CD1 3.71Å; F1580-L1651 HydrophobicContact CD2-CD2 4.35Å; F1580-L1651 HydrophobicContact CE2-CD2 4.36Å; F1580-L1651 HydrophobicContact CG-CD2 4.45Å; F1580-L1651 HydrophobicContact CZ-CD2 4.44Å; H1649-L1651 VanDerWaalsContact C-N 3.29Å; H1649-L1651 WeakPolarHBondContact CD2-CB 3.39Å; H1649-L1651 PolarHBondContact CD2-N 2.87Å; H1649-L1651 VanDerWaalsContact CE1-CB 3.45Å; H1649-L1651 WeakPolarHBondContact CE1-CB 3.37Å; H1649-L1651 WeakPolarHBondContact ND1-CB 3.42Å; H1649-L1651 PolarHBondContact ND1-N 3.39Å; H1649-L1651 PolarHBondContact O-N 3.17Å; L1651-A1653 VanDerWaalsContact C-N 3.33Å; L1651-A1653 PolarHBondContact O-N 3.22Å; L1651-L1654 HydrophobicContact CD1-CD1 4.44Å; L1651-L1654 PolarHBondContact O-N 3.25Å; L1651-F1655 HydrophobicContact CD1-CD1 4.24Å; L1651-F1655 HydrophobicContact CD1-CE1 3.64Å; L1651-F1655 HydrophobicContact CD1-CZ 4.06Å; L1651-F1655 HydrophobicContact CD2-CZ 4.35Å; L1651-F1655 HydrophobicContact CG-CD1 4.42Å; L1651-F1655 HydrophobicContact CG-CE1 4.02Å; L1651-F1655 HydrophobicContact CG-CE2 4.41Å; L1651-F1655 HydrophobicContact CG-CZ 4.09Å; L1651-F1655 WeakPolarHBondContact O-CD1 3.3Å; L1651-F1655 WeakPolarHBondContact O-CG 3.32Å; L1651-F1655 PolarHBondContact O-N 3.16Å; L1651-L1733 HydrophobicContact CD2-CD1 4.11Å; L1651-L1733 HydrophobicContact CD2-CD2 4.03Å; L1651-V1748 HydrophobicContact CD2-CG1 4.23Å; L1651-V1752 HydrophobicContact CD2-CG2 4.35Å |
| 1652 | S | 93.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 175.1 | -49.8 | 0 | 0 | 0 | 0 | 110.4 | H1649 A1650 L1654 F1655 L1656 D1755 | H1649-S1652 WeakPolarHBondContact O-CA 3.25Å; H1649-S1652 VanDerWaalsContact O-CB 3.27Å; H1649-S1652 WeakPolarHBondContact O-CB 3.36Å; H1649-S1652 PolarHBondContact O-N 3.15Å; H1649-S1652 PolarHBondContact O-OG 2.89Å; A1650-S1652 VanDerWaalsContact C-N 3.34Å; A1650-S1652 PolarHBondContact O-N 3.11Å; S1652-L1654 PolarHBondContact O-N 3.32Å; S1652-F1655 PolarHBondContact O-N 3.09Å; S1652-L1656 WeakPolarHBondContact O-CB 3.36Å; S1652-L1656 WeakPolarHBondContact O-CD1 3.42Å; S1652-L1656 VanDerWaalsContact O-CG 3.27Å; S1652-L1656 WeakPolarHBondContact O-CG 3.39Å; S1652-L1656 PolarHBondContact O-N 3.09Å; S1652-L1656 VanDerWaalsContact O-N 3.07Å; S1652-D1755 WeakPolarHBondContact CB-OD2 3.38Å; S1652-D1755 PolarHBondContact OG-OD2 3.38Å |
| 1653 | A | 93.2 | Very high | 89.1 | Confident | 0.2 Ų | 0.2 | 11.4 Ų | 11.4 | 0% | 0.002 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.6 | -41.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1555 F1613 I1648 H1649 A1650 L1651 L1656 C1657 | L1555-A1653 HydrophobicContact CD1-CB 4.03Å; F1613-A1653 HydrophobicContact CB-CB 4.05Å; F1613-A1653 HydrophobicContact CD1-CB 3.78Å; F1613-A1653 VanDerWaalsContact CD1-CB 3.42Å; F1613-A1653 HydrophobicContact CD2-CB 4.27Å; F1613-A1653 HydrophobicContact CE1-CB 4.23Å; F1613-A1653 HydrophobicContact CG-CB 3.78Å; I1648-A1653 HydrophobicContact CD1-CB 3.71Å; I1648-A1653 HydrophobicContact CG1-CB 4.34Å; H1649-A1653 PolarHBondContact O-N 3.05Å; H1649-A1653 VanDerWaalsContact O-N 3.14Å; A1650-A1653 PolarHBondContact O-N 3.26Å; L1651-A1653 VanDerWaalsContact C-N 3.33Å; L1651-A1653 PolarHBondContact O-N 3.22Å; A1653-L1656 PolarHBondContact O-N 3.14Å; A1653-C1657 VanDerWaalsContact O-CB 3.29Å; A1653-C1657 WeakPolarHBondContact O-CB 3.37Å; A1653-C1657 PolarHBondContact O-N 3.08Å |
| 1654 | L | 93.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.1 | -47.3 | 174.4 | -76.5 | 167.2 | 0 | 0 | 0 | 111.8 | P1493 L1497 L1555 L1558 I1576 A1650 L1651 S1652 L1656 C1657 I1658 | P1493-L1654 HydrophobicContact CB-CD1 4.08Å; P1493-L1654 HydrophobicContact CB-CD2 4.07Å; P1493-L1654 HydrophobicContact CB-CG 4.35Å; P1493-L1654 HydrophobicContact CG-CD2 4.13Å; L1497-L1654 HydrophobicContact CD1-CD1 4Å; L1555-L1654 HydrophobicContact CD2-CD2 3.63Å; L1555-L1654 HydrophobicContact CD2-CG 4.12Å; L1558-L1654 HydrophobicContact CD1-CD2 3.63Å; L1558-L1654 HydrophobicContact CD2-CD2 3.4Å; L1558-L1654 VanDerWaalsContact CD2-CD2 3.46Å; I1576-L1654 HydrophobicContact CG1-CD1 4.37Å; I1576-L1654 HydrophobicContact CG2-CD1 4.04Å; A1650-L1654 WeakPolarHBondContact O-CG 3.37Å; A1650-L1654 PolarHBondContact O-N 3.25Å; L1651-L1654 HydrophobicContact CD1-CD1 4.44Å; L1651-L1654 PolarHBondContact O-N 3.25Å; S1652-L1654 PolarHBondContact O-N 3.32Å; L1654-L1656 VanDerWaalsContact C-N 3.33Å; L1654-L1656 PolarHBondContact O-N 3.11Å; L1654-C1657 PolarHBondContact O-N 3.07Å; L1654-I1658 VanDerWaalsContact O-CB 3.29Å; L1654-I1658 WeakPolarHBondContact O-CB 3.43Å; L1654-I1658 WeakPolarHBondContact O-CD1 3.41Å; L1654-I1658 VanDerWaalsContact O-CG1 3.26Å; L1654-I1658 WeakPolarHBondContact O-CG1 3.33Å; L1654-I1658 PolarHBondContact O-N 3.32Å |
| 1655 | F | 95.3 | Very high | 89.7 | Confident | 1.2 Ų | 1.2 | 9.9 Ų | 9.9 | 1% | 0.005 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -63.2 | -41.5 | -180 | -76.7 | 11.4 | 0 | 0 | 0 | 111.9 | F1577 L1651 S1652 T1659 L1729 L1730 L1733 L1773 | F1577-F1655 HydrophobicContact CE1-CZ 4.25Å; F1577-F1655 AromaticContact CZ-CZ 3.91Å; F1577-F1655 HydrophobicContact CZ-CZ 4.05Å; L1651-F1655 HydrophobicContact CD1-CD1 4.24Å; L1651-F1655 HydrophobicContact CD1-CE1 3.64Å; L1651-F1655 HydrophobicContact CD1-CZ 4.06Å; L1651-F1655 HydrophobicContact CD2-CZ 4.35Å; L1651-F1655 HydrophobicContact CG-CD1 4.42Å; L1651-F1655 HydrophobicContact CG-CE1 4.02Å; L1651-F1655 HydrophobicContact CG-CE2 4.41Å; L1651-F1655 HydrophobicContact CG-CZ 4.09Å; L1651-F1655 WeakPolarHBondContact O-CD1 3.3Å; L1651-F1655 WeakPolarHBondContact O-CG 3.32Å; L1651-F1655 PolarHBondContact O-N 3.16Å; S1652-F1655 PolarHBondContact O-N 3.09Å; F1655-T1659 VanDerWaalsContact O-CB 3.28Å; F1655-T1659 WeakPolarHBondContact O-CB 3.33Å; F1655-T1659 WeakPolarHBondContact O-CG2 2.96Å; F1655-T1659 PolarHBondContact O-N 3.02Å; F1655-T1659 VanDerWaalsContact O-N 3.11Å; F1655-T1659 PolarHBondContact O-OG1 3.07Å; F1655-L1729 HydrophobicContact CB-CD1 4.44Å; F1655-L1729 HydrophobicContact CD1-CB 4.27Å; F1655-L1729 HydrophobicContact CD1-CD1 4.06Å; F1655-L1729 HydrophobicContact CD1-CD2 4.2Å; F1655-L1729 HydrophobicContact CD1-CG 4.41Å; F1655-L1729 HydrophobicContact CD2-CB 4.24Å; F1655-L1729 HydrophobicContact CE1-CB 4.13Å; F1655-L1729 HydrophobicContact CE1-CD2 3.95Å; F1655-L1729 HydrophobicContact CE1-CG 4.41Å; F1655-L1729 HydrophobicContact CE2-CB 4.09Å; F1655-L1729 HydrophobicContact CG-CB 4.32Å; F1655-L1729 HydrophobicContact CG-CD1 4.23Å; F1655-L1729 HydrophobicContact CZ-CB 4.04Å; F1655-L1729 HydrophobicContact CZ-CD2 4.5Å; F1655-L1730 HydrophobicContact CD2-CD2 4.23Å; F1655-L1730 HydrophobicContact CE2-CD2 4.23Å; F1655-L1733 HydrophobicContact CE2-CB 4.38Å; F1655-L1733 HydrophobicContact CE2-CD2 4.01Å; F1655-L1733 HydrophobicContact CZ-CB 4.39Å; F1655-L1733 HydrophobicContact CZ-CD2 4.39Å; F1655-L1773 HydrophobicContact CB-CD1 4.4Å |
| 1656 | L | 94.9 | Very high | 89.1 | Confident | 0.2 Ų | 0.2 | 9.4 Ų | 9.4 | 0% | 0.001 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -62.2 | -50.9 | 175.3 | -72.6 | 165.4 | 0 | 0 | 0 | 111.4 | I1648 S1652 A1653 L1654 I1658 T1659 Q1660 L1756 V1759 W1767 A1769 S1770 L1773 | I1648-L1656 HydrophobicContact CD1-CD1 4.05Å; S1652-L1656 WeakPolarHBondContact O-CB 3.36Å; S1652-L1656 WeakPolarHBondContact O-CD1 3.42Å; S1652-L1656 VanDerWaalsContact O-CG 3.27Å; S1652-L1656 WeakPolarHBondContact O-CG 3.39Å; S1652-L1656 PolarHBondContact O-N 3.09Å; S1652-L1656 VanDerWaalsContact O-N 3.07Å; A1653-L1656 PolarHBondContact O-N 3.14Å; L1654-L1656 VanDerWaalsContact C-N 3.33Å; L1654-L1656 PolarHBondContact O-N 3.11Å; L1656-I1658 PolarHBondContact O-N 3.19Å; L1656-T1659 PolarHBondContact O-N 3.28Å; L1656-T1659 PolarHBondContact O-OG1 3.39Å; L1656-Q1660 VanDerWaalsContact O-CB 3.23Å; L1656-Q1660 WeakPolarHBondContact O-CB 3.29Å; L1656-Q1660 WeakPolarHBondContact O-CG 3.4Å; L1656-Q1660 PolarHBondContact O-N 3.21Å; L1656-L1756 HydrophobicContact CD2-CD2 4.03Å; L1656-L1756 HydrophobicContact CG-CD2 4.29Å; L1656-V1759 HydrophobicContact CD1-CG1 4.09Å; L1656-V1759 HydrophobicContact CD1-CG2 4.21Å; L1656-V1759 HydrophobicContact CD2-CG1 4.45Å; L1656-W1767 HydrophobicContact CB-CD2 4.42Å; L1656-W1767 HydrophobicContact CB-CE3 3.52Å; L1656-W1767 VanDerWaalsContact CB-CE3 3.48Å; L1656-W1767 HydrophobicContact CB-CH2 4.48Å; L1656-W1767 HydrophobicContact CB-CZ3 3.6Å; L1656-W1767 VanDerWaalsContact CB-CZ3 3.41Å; L1656-W1767 HydrophobicContact CD1-CD2 4.45Å; L1656-W1767 HydrophobicContact CD1-CE3 4.18Å; L1656-W1767 HydrophobicContact CD1-CZ3 4.44Å; L1656-W1767 HydrophobicContact CD2-CE3 4.47Å; L1656-W1767 HydrophobicContact CG-CE3 4.32Å; L1656-W1767 HydrophobicContact CG-CZ3 4.5Å; L1656-A1769 HydrophobicContact CD2-CB 4.36Å; L1656-S1770 VanDerWaalsContact CD2-CA 3.47Å; L1656-S1770 VanDerWaalsContact CD2-CB 3.5Å; L1656-L1773 HydrophobicContact CD2-CD1 3.74Å; L1656-L1773 HydrophobicContact CG-CD1 4.17Å |
| 1657 | C | 93.9 | Very high | 87.7 | Confident | 2.6 Ų | 2.6 | 13.7 Ų | 13.7 | 2% | 0.018 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.8 | -45.1 | -177.2 | -176 | 0 | 0 | 0 | 0 | 112.4 | L1555 A1653 L1654 T1659 Q1660 G1661 W1767 L1927 | L1555-C1657 VanDerWaalsContact C-SG 3.55Å; L1555-C1657 HydrophobicContact CB-CB 4.32Å; L1555-C1657 HydrophobicContact CD1-CB 4.49Å; L1555-C1657 HydrophobicContact CD2-CB 4.49Å; L1555-C1657 PolarHBondContact O-SG 3.04Å; A1653-C1657 VanDerWaalsContact O-CB 3.29Å; A1653-C1657 WeakPolarHBondContact O-CB 3.37Å; A1653-C1657 PolarHBondContact O-N 3.08Å; L1654-C1657 PolarHBondContact O-N 3.07Å; C1657-T1659 VanDerWaalsContact C-N 3.34Å; C1657-T1659 PolarHBondContact O-N 3.01Å; C1657-Q1660 WeakPolarHBondContact O-CG 3.31Å; C1657-Q1660 PolarHBondContact O-N 3.07Å; C1657-G1661 PolarHBondContact O-N 3.16Å; C1657-W1767 HydrophobicContact CB-CH2 4.42Å; C1657-W1767 HydrophobicContact CB-CZ3 4.22Å; C1657-L1927 HydrophobicContact CB-CD2 4.37Å; C1657-L1927 VanDerWaalsContact SG-CD2 3.56Å |
| 1658 | I | 94 | Very high | 85.7 | Confident | 0.8 Ų | 0.8 | 14.3 Ų | 14.3 | 0% | 0.004 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 178.8 | -73.2 | 169.6 | 0 | 0 | 0 | 111 | L1558 Y1562 I1576 L1654 L1656 Q1660 G1661 L1662 L1729 | L1558-I1658 HydrophobicContact CD2-CD1 4.3Å; Y1562-I1658 HydrophobicContact CD1-CG2 3.45Å; Y1562-I1658 VanDerWaalsContact CD1-CG2 3.43Å; Y1562-I1658 HydrophobicContact CD2-CG2 4Å; Y1562-I1658 HydrophobicContact CE1-CG2 3.44Å; Y1562-I1658 VanDerWaalsContact CE1-CG2 3.42Å; Y1562-I1658 HydrophobicContact CE2-CG2 4Å; Y1562-I1658 HydrophobicContact CG-CG1 4.45Å; Y1562-I1658 HydrophobicContact CG-CG2 3.72Å; I1576-I1658 HydrophobicContact CD1-CD1 3.41Å; I1576-I1658 VanDerWaalsContact CD1-CD1 3.43Å; L1654-I1658 VanDerWaalsContact O-CB 3.29Å; L1654-I1658 WeakPolarHBondContact O-CB 3.43Å; L1654-I1658 WeakPolarHBondContact O-CD1 3.41Å; L1654-I1658 VanDerWaalsContact O-CG1 3.26Å; L1654-I1658 WeakPolarHBondContact O-CG1 3.33Å; L1654-I1658 PolarHBondContact O-N 3.32Å; L1656-I1658 PolarHBondContact O-N 3.19Å; I1658-Q1660 VanDerWaalsContact C-N 3.35Å; I1658-Q1660 PolarHBondContact O-N 2.86Å; I1658-G1661 PolarHBondContact O-N 2.99Å; I1658-L1662 WeakPolarHBondContact O-CD1 3.17Å; I1658-L1662 WeakPolarHBondContact O-CG 3.35Å; I1658-L1729 HydrophobicContact CB-CD1 4.4Å; I1658-L1729 HydrophobicContact CG2-CD1 4.04Å |
| 1659 | T | 93.8 | Very high | 82.8 | Confident | 0.6 Ų | 0.6 | 19.1 Ų | 19.1 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.5 | -40.2 | 178.8 | -41.2 | 0 | 0 | 0 | 0 | 111.5 | F1655 L1656 C1657 A1722 A1726 L1729 A1769 L1773 F1934 | F1655-T1659 VanDerWaalsContact O-CB 3.28Å; F1655-T1659 WeakPolarHBondContact O-CB 3.33Å; F1655-T1659 WeakPolarHBondContact O-CG2 2.96Å; F1655-T1659 PolarHBondContact O-N 3.02Å; F1655-T1659 VanDerWaalsContact O-N 3.11Å; F1655-T1659 PolarHBondContact O-OG1 3.07Å; L1656-T1659 PolarHBondContact O-N 3.28Å; L1656-T1659 PolarHBondContact O-OG1 3.39Å; C1657-T1659 VanDerWaalsContact C-N 3.34Å; C1657-T1659 PolarHBondContact O-N 3.01Å; T1659-A1722 HydrophobicContact CG2-CB 4.42Å; T1659-A1726 HydrophobicContact CG2-CB 3.98Å; T1659-L1729 HydrophobicContact CG2-CD1 4.07Å; T1659-A1769 HydrophobicContact CG2-CB 4.05Å; T1659-L1773 HydrophobicContact CG2-CD2 4.34Å; T1659-F1934 HydrophobicContact CG2-CE2 4.35Å; T1659-F1934 HydrophobicContact CG2-CZ 4.47Å |
| 1660 | Q | 92.9 | Very high | 79.8 | Confident | 0.2 Ų | 0.2 | 25.5 Ų | 25.5 | 0% | 0.001 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -72.8 | -33.7 | 178.5 | 152 | 177.9 | -31.4 | 0 | 0 | 113.4 | L1656 C1657 I1658 L1662 E1766 W1767 P1768 A1769 L1927 T1930 F1934 | L1656-Q1660 VanDerWaalsContact O-CB 3.23Å; L1656-Q1660 WeakPolarHBondContact O-CB 3.29Å; L1656-Q1660 WeakPolarHBondContact O-CG 3.4Å; L1656-Q1660 PolarHBondContact O-N 3.21Å; C1657-Q1660 WeakPolarHBondContact O-CG 3.31Å; C1657-Q1660 PolarHBondContact O-N 3.07Å; I1658-Q1660 VanDerWaalsContact C-N 3.35Å; I1658-Q1660 PolarHBondContact O-N 2.86Å; Q1660-L1662 VanDerWaalsContact C-N 3.27Å; Q1660-L1662 PolarHBondContact O-N 3.2Å; Q1660-E1766 PolarHBondContact NE2-O 3.17Å; Q1660-E1766 PolarHBondContact OE1-O 3.32Å; Q1660-W1767 VanDerWaalsContact NE2-CZ3 3.34Å; Q1660-P1768 VanDerWaalsContact OE1-CD 3.31Å; Q1660-A1769 HydrophobicContact CB-CB 3.98Å; Q1660-A1769 HydrophobicContact CG-CB 3.55Å; Q1660-L1927 PolarHBondContact NE2-O 3.41Å; Q1660-T1930 PolarHBondContact NE2-OG1 3.19Å; Q1660-T1930 VanDerWaalsContact NE2-OG1 3.11Å; Q1660-F1934 HydrophobicContact CB-CB 4.48Å; Q1660-F1934 HydrophobicContact CB-CD2 4.27Å; Q1660-F1934 HydrophobicContact CB-CG 4.4Å; Q1660-F1934 HydrophobicContact CG-CB 4.1Å; Q1660-F1934 HydrophobicContact CG-CD2 4.11Å; Q1660-F1934 HydrophobicContact CG-CE2 4.38Å; Q1660-F1934 HydrophobicContact CG-CG 4.32Å |
| 1661 | G | 89.1 | Confident | 76.7 | Confident | 9 Ų | 9 | 30.8 Ų | 30.8 | 9% | 0.093 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.9 | -12.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | G1563 C1657 I1658 I1663 | G1563-G1661 VanDerWaalsContact CA-O 3.31Å; G1563-G1661 WeakPolarHBondContact CA-O 3.32Å; C1657-G1661 PolarHBondContact O-N 3.16Å; I1658-G1661 PolarHBondContact O-N 2.99Å; G1661-I1663 VanDerWaalsContact C-N 3.28Å; G1661-I1663 PolarHBondContact O-N 3.13Å |
| 1662 | L | 91.3 | Very high | 73.6 | Confident | 0.8 Ų | 0.8 | 35.3 Ų | 35.3 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -8.3 | -178.8 | -77.9 | 163 | 0 | 0 | 0 | 114.8 | Y1562 I1658 Q1660 H1664 T1721 A1722 H1725 | Y1562-L1662 HydrophobicContact CD1-CD1 4.28Å; Y1562-L1662 HydrophobicContact CD1-CD2 3.74Å; Y1562-L1662 HydrophobicContact CD1-CG 4Å; Y1562-L1662 HydrophobicContact CE1-CD1 3.98Å; Y1562-L1662 HydrophobicContact CE1-CD2 3.88Å; Y1562-L1662 HydrophobicContact CE1-CG 4.17Å; I1658-L1662 WeakPolarHBondContact O-CD1 3.17Å; I1658-L1662 WeakPolarHBondContact O-CG 3.35Å; Q1660-L1662 VanDerWaalsContact C-N 3.27Å; Q1660-L1662 PolarHBondContact O-N 3.2Å; L1662-H1664 PolarHBondContact O-CE1 3.08Å; L1662-H1664 VanDerWaalsContact O-CE1 3.23Å; L1662-H1664 PolarHBondContact O-N 3.24Å; L1662-H1664 PolarHBondContact O-ND1 3.39Å; L1662-H1664 VanDerWaalsContact O-ND1 3.11Å; L1662-T1721 HydrophobicContact CD2-CG2 4.44Å; L1662-A1722 HydrophobicContact CB-CB 4Å; L1662-A1722 HydrophobicContact CD1-CB 4.21Å; L1662-H1725 HydrophobicContact CD1-CB 3.63Å |
| 1663 | I | 88 | Confident | 70.4 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -85.7 | 116.7 | -176.7 | -59.2 | -100.1 | 0 | 0 | 0 | 110.6 | G1661 Y1719 A1722 R1933 F1934 A1937 | G1661-I1663 VanDerWaalsContact C-N 3.28Å; G1661-I1663 PolarHBondContact O-N 3.13Å; I1663-Y1719 HydrophobicContact CD1-CD2 4.11Å; I1663-Y1719 HydrophobicContact CD1-CG 4.49Å; I1663-A1722 HydrophobicContact CD1-CB 4.22Å; I1663-R1933 HydrophobicContact CB-CB 4.36Å; I1663-R1933 HydrophobicContact CG2-CB 4.03Å; I1663-F1934 HydrophobicContact CD1-CB 3.9Å; I1663-F1934 HydrophobicContact CD1-CD2 3.99Å; I1663-F1934 HydrophobicContact CD1-CE2 3.96Å; I1663-F1934 HydrophobicContact CD1-CG 3.71Å; I1663-F1934 HydrophobicContact CG1-CB 4.38Å; I1663-F1934 HydrophobicContact CG1-CD2 3.79Å; I1663-F1934 HydrophobicContact CG1-CE2 4.35Å; I1663-F1934 HydrophobicContact CG1-CG 4.33Å; I1663-A1937 HydrophobicContact CD1-CB 4.06Å; I1663-A1937 HydrophobicContact CG1-CB 4.36Å; I1663-A1937 HydrophobicContact CG2-CB 3.7Å |
| 1664 | H | 79.1 | Confident | 67.3 | Low | 52.6 Ų | 52.6 | 49 Ų | 49 | 24% | 0.244 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -92.2 | 149.4 | -179.6 | -60.3 | -18.8 | 0 | 0 | 0 | 111.6 | G1563 L1662 H1714 S1718 | G1563-H1664 VanDerWaalsContact C-NE2 3.34Å; G1563-H1664 PolarHBondContact O-CE1 3.25Å; G1563-H1664 VanDerWaalsContact O-CE1 3.23Å; G1563-H1664 PolarHBondContact O-NE2 3.21Å; L1662-H1664 PolarHBondContact O-CE1 3.08Å; L1662-H1664 VanDerWaalsContact O-CE1 3.23Å; L1662-H1664 PolarHBondContact O-N 3.24Å; L1662-H1664 PolarHBondContact O-ND1 3.39Å; L1662-H1664 VanDerWaalsContact O-ND1 3.11Å; H1664-H1714 VanDerWaalsContact CB-CE1 3.49Å; H1664-H1714 WeakPolarHBondContact CB-CE1 3.38Å; H1664-H1714 VanDerWaalsContact CB-NE2 3.35Å; H1664-H1714 WeakPolarHBondContact CB-NE2 3.47Å; H1664-H1714 AromaticContact CD2-NE2 3.94Å; H1664-H1714 AromaticContact CG-NE2 3.88Å; H1664-S1718 PolarHBondContact N-OG 2.91Å |
| 1665 | T | 74.4 | Confident | 64 | Low | 16 Ų | 16 | 54.7 Ų | 54.7 | 10% | 0.098 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 148.8 | 168 | 44.6 | 0 | 0 | 0 | 0 | 110.4 | N1667 R1933 T1987 H1988 | T1665-N1667 PolarHBondContact O-N 3.5Å; T1665-R1933 VanDerWaalsContact CG2-CZ 3.43Å; T1665-R1933 VanDerWaalsContact CG2-NH2 3.34Å; T1665-T1987 VanDerWaalsContact CG2-OG1 3.24Å; T1665-T1987 WeakPolarHBondContact CG2-OG1 3.36Å; T1665-H1988 HydrophobicContact CG2-CB 4.25Å; T1665-H1988 PolarHBondContact OG1-CD2 2.93Å |
| 1666 | P | 67.7 | Low | 60.8 | Low | 4.6 Ų | 4.6 | 59.6 Ų | 59.6 | 3% | 0.03 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 144.8 | 172.5 | 28 | -34.4 | 0 | 0 | 0 | 110.7 | L1668 D1711 L1981 | P1666-L1668 HydrophobicContact CB-CD1 4.43Å; P1666-L1668 HydrophobicContact CG-CD1 4.18Å; P1666-L1668 PolarHBondContact O-N 3.07Å; P1666-L1668 VanDerWaalsContact O-N 3.11Å; P1666-D1711 HydrophobicContact CB-CB 3.68Å; P1666-L1981 HydrophobicContact CB-CD1 4.36Å; P1666-L1981 HydrophobicContact CG-CD1 4.18Å; P1666-L1981 HydrophobicContact CG-CD2 4.4Å |
| 1667 | N | 57.6 | Low | 57.6 | Low | 113.2 Ų | 113.2 | 66.3 Ų | 66.3 | 61% | 0.605 | 39% | 0.392 | S | S | * | . | trans | -79.1 | 90.3 | -178.6 | -75.5 | -18.2 | 0 | 0 | 0 | 109.4 | T1665 S1669 | T1665-N1667 PolarHBondContact O-N 3.5Å; N1667-S1669 VanDerWaalsContact C-N 3.32Å; N1667-S1669 PolarHBondContact O-N 3.21Å; N1667-S1669 VanDerWaalsContact O-N 3.13Å | ||
| 1668 | L | 44.7 | Very low | 54.4 | Low | 80 Ų | 80 | 72.5 Ų | 72.5 | 42% | 0.419 | 43% | 0.433 | S | S | . | . | trans | -74.5 | 87.3 | 165.6 | -85.1 | 99.2 | 0 | 0 | 0 | 109.5 | P1666 F1670 S1985 | P1666-L1668 HydrophobicContact CB-CD1 4.43Å; P1666-L1668 HydrophobicContact CG-CD1 4.18Å; P1666-L1668 PolarHBondContact O-N 3.07Å; P1666-L1668 VanDerWaalsContact O-N 3.11Å; L1668-F1670 VanDerWaalsContact C-N 3.3Å; L1668-F1670 HydrophobicContact CB-CD2 4.25Å; L1668-F1670 HydrophobicContact CB-CE2 4.05Å; L1668-F1670 HydrophobicContact CB-CZ 4.49Å; L1668-F1670 HydrophobicContact CD1-CE2 4.03Å; L1668-F1670 HydrophobicContact CD1-CZ 3.92Å; L1668-F1670 HydrophobicContact CD2-CD2 4.36Å; L1668-F1670 HydrophobicContact CD2-CE1 4.28Å; L1668-F1670 HydrophobicContact CD2-CE2 3.7Å; L1668-F1670 VanDerWaalsContact CD2-CE2 3.42Å; L1668-F1670 HydrophobicContact CD2-CZ 3.57Å; L1668-F1670 VanDerWaalsContact CD2-CZ 3.46Å; L1668-F1670 HydrophobicContact CG-CE2 4.4Å; L1668-F1670 PolarHBondContact O-N 3.04Å; L1668-F1670 VanDerWaalsContact O-N 3.13Å; L1668-S1985 VanDerWaalsContact CD1-CB 3.45Å | ||
| 1669 | S | 28.4 | Very low | 51.3 | Low | 102.6 Ų | 102.6 | 77.3 Ų | 77.3 | 72% | 0.717 | 47% | 0.467 | S | S | * | . | trans | -70 | 88.2 | 153.9 | 9.1 | 0 | 0 | 0 | 0 | 107.5 | N1667 P1671 | N1667-S1669 VanDerWaalsContact C-N 3.32Å; N1667-S1669 PolarHBondContact O-N 3.21Å; N1667-S1669 VanDerWaalsContact O-N 3.13Å; S1669-P1671 VanDerWaalsContact O-CD 3.25Å; S1669-P1671 WeakPolarHBondContact O-CD 3.42Å; S1669-P1671 VanDerWaalsContact O-N 3.07Å | ||
| 1670 | F | 29.2 | Very low | 48.3 | Very low | 141.2 Ų | 141.2 | 84.3 Ų | 84.3 | 62% | 0.619 | 50% | 0.502 | S | S | * | . | trans | -59.6 | 123.2 | 157.5 | -72.5 | -78 | 0 | 0 | 0 | 106.4 | L1668 A1672 L1989 | L1668-F1670 VanDerWaalsContact C-N 3.3Å; L1668-F1670 HydrophobicContact CB-CD2 4.25Å; L1668-F1670 HydrophobicContact CB-CE2 4.05Å; L1668-F1670 HydrophobicContact CB-CZ 4.49Å; L1668-F1670 HydrophobicContact CD1-CE2 4.03Å; L1668-F1670 HydrophobicContact CD1-CZ 3.92Å; L1668-F1670 HydrophobicContact CD2-CD2 4.36Å; L1668-F1670 HydrophobicContact CD2-CE1 4.28Å; L1668-F1670 HydrophobicContact CD2-CE2 3.7Å; L1668-F1670 VanDerWaalsContact CD2-CE2 3.42Å; L1668-F1670 HydrophobicContact CD2-CZ 3.57Å; L1668-F1670 VanDerWaalsContact CD2-CZ 3.46Å; L1668-F1670 HydrophobicContact CG-CE2 4.4Å; L1668-F1670 PolarHBondContact O-N 3.04Å; L1668-F1670 VanDerWaalsContact O-N 3.13Å; F1670-A1672 VanDerWaalsContact C-N 3.29Å; F1670-A1672 PolarHBondContact O-N 3.06Å; F1670-L1989 HydrophobicContact CE2-CD1 4.26Å | ||
| 1671 | P | 25.3 | Very low | 45.2 | Very low | 115.2 Ų | 115.2 | 95.4 Ų | 95.4 | 75% | 0.748 | 54% | 0.544 | S | S | * | . | trans | -60.2 | 109.1 | 172.7 | 23.8 | -29 | 0 | 0 | 0 | 106.4 | S1669 N1673 | S1669-P1671 VanDerWaalsContact O-CD 3.25Å; S1669-P1671 WeakPolarHBondContact O-CD 3.42Å; S1669-P1671 VanDerWaalsContact O-N 3.07Å; P1671-N1673 VanDerWaalsContact C-N 3.28Å; P1671-N1673 PolarHBondContact O-N 3.09Å | ||
| 1672 | A | 26.4 | Very low | 42.2 | Very low | 94 Ų | 94 | 103.9 Ų | 103.9 | 78% | 0.777 | 58% | 0.579 | S | S | * | * | trans | -62.4 | 84.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 108 | F1670 N1674 | F1670-A1672 VanDerWaalsContact C-N 3.29Å; F1670-A1672 PolarHBondContact O-N 3.06Å; A1672-N1674 VanDerWaalsContact C-N 3.34Å; A1672-N1674 PolarHBondContact O-N 3.24Å | ||
| 1673 | N | 26.6 | Very low | 39 | Very low | 140.8 Ų | 140.8 | 113.3 Ų | 113.3 | 75% | 0.753 | 62% | 0.62 | S | S | * | * | trans | -98.4 | 111.9 | 176 | -123.9 | -0.2 | 0 | 0 | 0 | 106.1 | P1671 C1675 | P1671-N1673 VanDerWaalsContact C-N 3.28Å; P1671-N1673 PolarHBondContact O-N 3.09Å; N1673-C1675 PolarHBondContact O-N 3.23Å; N1673-C1675 PolarHBondContact O-SG 2.99Å; N1673-C1675 VanDerWaalsContact O-SG 3.37Å | ||
| 1674 | N | 26.2 | Very low | 36.2 | Very low | 147.6 Ų | 147.6 | 119 Ų | 119 | 79% | 0.789 | 66% | 0.657 | S | S | * | * | trans | -15.3 | 76.1 | 167.4 | -74.6 | -13.2 | 0 | 0 | 0 | 111.5 | A1672 S1676 | A1672-N1674 VanDerWaalsContact C-N 3.34Å; A1672-N1674 PolarHBondContact O-N 3.24Å; N1674-S1676 PolarHBondContact O-N 3.13Å | ||
| 1675 | C | 25.1 | Very low | 33.6 | Very low | 120.8 Ų | 120.8 | 121.6 Ų | 121.6 | 82% | 0.816 | 68% | 0.681 | S | S | * | * | trans | -97.9 | 59.4 | 162.8 | -76.6 | 0 | 0 | 0 | 0 | 109.4 | N1673 N1677 | N1673-C1675 PolarHBondContact O-N 3.23Å; N1673-C1675 PolarHBondContact O-SG 2.99Å; N1673-C1675 VanDerWaalsContact O-SG 3.37Å; C1675-N1677 PolarHBondContact O-N 3.18Å | ||
| 1676 | S | 27.7 | Very low | 31.4 | Very low | 103 Ų | 103 | 126.3 Ų | 126.3 | 72% | 0.72 | 72% | 0.715 | S | S | * | * | trans | -81.9 | 111 | 161.2 | 40.4 | 0 | 0 | 0 | 0 | 108.4 | N1674 | N1674-S1676 PolarHBondContact O-N 3.13Š| ||
| 1677 | N | 27.7 | Very low | 29.6 | Very low | 140.8 Ų | 140.8 | 130.8 Ų | 130.8 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | trans | 43.5 | 116 | 167.9 | -71.5 | -11.9 | 0 | 0 | 0 | 118.3 | C1675 S1679 | C1675-N1677 PolarHBondContact O-N 3.18Å; N1677-S1679 VanDerWaalsContact C-N 3.29Å; N1677-S1679 PolarHBondContact O-N 3.26Å | ||
| 1678 | P | 28.3 | Very low | 28.1 | Very low | 134.4 Ų | 134.4 | 134.1 Ų | 134.1 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | trans | -74 | 79.4 | 171.2 | 33 | -32.2 | 0 | 0 | 0 | 109.6 | I1680 | P1678-I1680 PolarHBondContact O-N 3.16Š| ||
| 1679 | S | 28.7 | Very low | 27.4 | Very low | 101.8 Ų | 101.8 | 135.5 Ų | 135.5 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | trans | -82.7 | 105.3 | 173.1 | 170 | 0 | 0 | 0 | 0 | 109.7 | N1677 R1681 | N1677-S1679 VanDerWaalsContact C-N 3.29Å; N1677-S1679 PolarHBondContact O-N 3.26Å; S1679-R1681 PolarHBondContact O-N 3.12Å; S1679-R1681 VanDerWaalsContact O-N 3.11Å | ||
| 1680 | I | 29.8 | Very low | 27.4 | Very low | 146.6 Ų | 146.6 | 137 Ų | 137 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | 11.4 | 94.7 | 156.4 | -56.8 | 165.8 | 0 | 0 | 0 | 112.9 | P1678 K1682 | P1678-I1680 PolarHBondContact O-N 3.16Å; I1680-K1682 HydrophobicContact CG2-CG 4.31Å; I1680-K1682 PolarHBondContact O-N 3.15Å; I1680-K1682 VanDerWaalsContact O-N 3.1Å | ||
| 1681 | R | 28 | Very low | 27.6 | Very low | 234.2 Ų | 234.2 | 135.8 Ų | 135.8 | 88% | 0.884 | 79% | 0.794 | S | S | * | * | trans | -76.6 | 102.4 | 165 | -96.9 | -176.6 | -97 | -159.3 | -1.7 | 109.1 | S1679 F1683 | S1679-R1681 PolarHBondContact O-N 3.12Å; S1679-R1681 VanDerWaalsContact O-N 3.11Å; R1681-F1683 PolarHBondContact O-N 3.15Å | ||
| 1682 | K | 25.5 | Very low | 27.7 | Very low | 187 Ų | 187 | 136.5 Ų | 136.5 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -75.2 | 120.6 | 167.2 | -72.8 | 178.5 | 179 | 177.6 | 0 | 108.1 | I1680 P1684 | I1680-K1682 HydrophobicContact CG2-CG 4.31Å; I1680-K1682 PolarHBondContact O-N 3.15Å; I1680-K1682 VanDerWaalsContact O-N 3.1Å; K1682-P1684 WeakPolarHBondContact O-CD 3.3Å | ||
| 1683 | F | 25.3 | Very low | 27.8 | Very low | 197.6 Ų | 197.6 | 140.6 Ų | 140.6 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -58.7 | 126.5 | 169.3 | -72.8 | -91.4 | 0 | 0 | 0 | 110.1 | R1681 S1685 | R1681-F1683 PolarHBondContact O-N 3.15Å; F1683-S1685 PolarHBondContact O-N 3.49Å; F1683-S1685 VanDerWaalsContact O-N 3.12Å | ||
| 1684 | P | 29.1 | Very low | 27.9 | Very low | 125.6 Ų | 125.6 | 139.4 Ų | 139.4 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | trans | -93.2 | 110 | 158.1 | 20.7 | -6.8 | 0 | 0 | 0 | 108.3 | K1682 | K1682-P1684 WeakPolarHBondContact O-CD 3.3Š| ||
| 1685 | S | 24.2 | Very low | 28.1 | Very low | 106.2 Ų | 106.2 | 137 Ų | 137 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -71.1 | 138.6 | 165.2 | 52.9 | 0 | 0 | 0 | 0 | 110.8 | F1683 | F1683-S1685 PolarHBondContact O-N 3.49Å; F1683-S1685 VanDerWaalsContact O-N 3.12Å | ||
| 1686 | S | 27.5 | Very low | 28.4 | Very low | 115.8 Ų | 115.8 | 139.8 Ų | 139.8 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | 98.7 | 121.3 | 147.8 | 62 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1687 | A | 29.9 | Very low | 28.5 | Very low | 97.6 Ų | 97.6 | 143.9 Ų | 143.9 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | trans | 153.7 | 110.7 | 132.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1688 | M | 27.3 | Very low | 28.6 | Very low | 183.6 Ų | 183.6 | 141.5 Ų | 141.5 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | trans | -13 | 110.7 | 152.7 | -140.3 | 116.1 | 67.7 | 0 | 0 | 115.2 | ||||
| 1689 | S | 28.7 | Very low | 28.7 | Very low | 109.8 Ų | 109.8 | 142 Ų | 142 | 77% | 0.768 | 79% | 0.785 | S | S | * | * | trans | -156.5 | 117.3 | 142.3 | 47 | 0 | 0 | 0 | 0 | 112.8 | P1691 | S1689-P1691 WeakPolarHBondContact O-CD 3.47Š| ||
| 1690 | T | 28.6 | Very low | 29.1 | Very low | 132.8 Ų | 132.8 | 140.2 Ų | 140.2 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | trans | -67.6 | 143.4 | 161.2 | 42.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1691 | P | 34.3 | Very low | 29.5 | Very low | 116.8 Ų | 116.8 | 137.6 Ų | 137.6 | 76% | 0.758 | 77% | 0.768 | S | S | * | * | trans | -111.5 | 135.7 | 166.6 | 34.1 | -22.3 | 0 | 0 | 0 | 113 | S1689 | S1689-P1691 WeakPolarHBondContact O-CD 3.47Š| ||
| 1692 | T | 27.8 | Very low | 30.1 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -150 | 90.8 | 160 | -5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1693 | Q | 28.1 | Very low | 31 | Very low | 181.8 Ų | 181.8 | 125.5 Ų | 125.5 | 85% | 0.85 | 74% | 0.735 | S | S | * | * | trans | -35.8 | 106.4 | 157.9 | -66.3 | 176.7 | 20.1 | 0 | 0 | 114.5 | ||||
| 1694 | S | 27.6 | Very low | 32.5 | Very low | 115.2 Ų | 115.2 | 121.7 Ų | 121.7 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | trans | -157.1 | 68.3 | 148.5 | 57.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1695 | S | 30.5 | Very low | 34.2 | Very low | 96 Ų | 96 | 119.8 Ų | 119.8 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -142.5 | -8.4 | 163.5 | 63.5 | 0 | 0 | 0 | 0 | 116.1 | F1697 S1698 | S1695-F1697 VanDerWaalsContact C-N 3.34Å; S1695-F1697 PolarHBondContact O-N 2.96Å; S1695-S1698 PolarHBondContact O-N 2.87Å |
| 1696 | F | 31.7 | Very low | 36.5 | Very low | 180.6 Ų | 180.6 | 117.4 Ų | 117.4 | 79% | 0.792 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 3.1 | -172 | -95.9 | -81.7 | 0 | 0 | 0 | 116.8 | S1698 | F1696-S1698 VanDerWaalsContact C-N 3.34Š|
| 1697 | F | 29.3 | Very low | 38.8 | Very low | 189.4 Ų | 189.4 | 115.3 Ų | 115.3 | 83% | 0.831 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -6.8 | -180 | -81.9 | -77.2 | 0 | 0 | 0 | 115.2 | S1695 | S1695-F1697 VanDerWaalsContact C-N 3.34Å; S1695-F1697 PolarHBondContact O-N 2.96Å |
| 1698 | S | 30.7 | Very low | 41 | Very low | 90.4 Ų | 90.4 | 112.3 Ų | 112.3 | 63% | 0.632 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -86.5 | -26.5 | -175.4 | -145.3 | 0 | 0 | 0 | 0 | 114.3 | S1695 F1696 T1702 | S1695-S1698 PolarHBondContact O-N 2.87Å; F1696-S1698 VanDerWaalsContact C-N 3.34Å; S1698-T1702 WeakPolarHBondContact O-CG2 3.25Å; S1698-T1702 PolarHBondContact O-N 3.41Å; S1698-T1702 PolarHBondContact O-OG1 3.11Å |
| 1699 | E | 30.9 | Very low | 43.5 | Very low | 143.6 Ų | 143.6 | 106.6 Ų | 106.6 | 67% | 0.671 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -80.5 | -32.6 | -170.7 | -128 | 158.7 | -175.6 | 0 | 0 | 113.9 | V1701 T1702 T1703 | E1699-V1701 PolarHBondContact O-N 2.86Å; E1699-T1702 WeakPolarHBondContact CA-OG1 3.36Å; E1699-T1702 PolarHBondContact O-N 3.26Å; E1699-T1702 PolarHBondContact O-OG1 3.22Å; E1699-T1702 VanDerWaalsContact O-OG1 3.08Å; E1699-T1703 WeakPolarHBondContact O-CG2 3.28Å; E1699-T1703 PolarHBondContact O-N 3.17Å; E1699-T1703 PolarHBondContact O-OG1 3.21Å |
| 1700 | A | 36.3 | Very low | 46.1 | Very low | 64.6 Ų | 64.6 | 108 Ų | 108 | 53% | 0.534 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -73.1 | -32.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1702 T1703 D1704 | A1700-T1702 VanDerWaalsContact C-N 3.31Å; A1700-T1703 PolarHBondContact O-OG1 3.11Å; A1700-D1704 PolarHBondContact O-N 3.46Å |
| 1701 | V | 38 | Very low | 48.6 | Very low | 92 Ų | 92 | 102.6 Ų | 102.6 | 56% | 0.558 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -76.9 | -28.9 | 178.6 | -179 | 0 | 0 | 0 | 0 | 111.4 | E1699 N1705 | E1699-V1701 PolarHBondContact O-N 2.86Å; V1701-N1705 PolarHBondContact O-N 2.86Å; V1701-N1705 PolarHBondContact O-ND2 3.16Å |
| 1702 | T | 40.2 | Very low | 51.1 | Low | 82 Ų | 82 | 97.8 Ų | 97.8 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -75.1 | -33.3 | 178.1 | 50.1 | 0 | 0 | 0 | 0 | 112.9 | S1698 E1699 A1700 A1706 | S1698-T1702 WeakPolarHBondContact O-CG2 3.25Å; S1698-T1702 PolarHBondContact O-N 3.41Å; S1698-T1702 PolarHBondContact O-OG1 3.11Å; E1699-T1702 WeakPolarHBondContact CA-OG1 3.36Å; E1699-T1702 PolarHBondContact O-N 3.26Å; E1699-T1702 PolarHBondContact O-OG1 3.22Å; E1699-T1702 VanDerWaalsContact O-OG1 3.08Å; A1700-T1702 VanDerWaalsContact C-N 3.31Å; T1702-A1706 VanDerWaalsContact O-CB 3.26Å; T1702-A1706 WeakPolarHBondContact O-CB 3.31Å; T1702-A1706 PolarHBondContact O-N 3.16Å |
| 1703 | T | 45.7 | Very low | 53.9 | Low | 84.2 Ų | 84.2 | 98.3 Ų | 98.3 | 52% | 0.517 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.1 | -41.4 | 177.6 | 46.1 | 0 | 0 | 0 | 0 | 112.7 | E1699 A1700 N1705 A1706 Q1707 | E1699-T1703 WeakPolarHBondContact O-CG2 3.28Å; E1699-T1703 PolarHBondContact O-N 3.17Å; E1699-T1703 PolarHBondContact O-OG1 3.21Å; A1700-T1703 PolarHBondContact O-OG1 3.11Å; T1703-N1705 PolarHBondContact O-N 3.18Å; T1703-A1706 PolarHBondContact O-N 3.33Å; T1703-Q1707 PolarHBondContact O-N 3.26Å |
| 1704 | D | 55.8 | Low | 56.7 | Low | 119 Ų | 119 | 93.1 Ų | 93.1 | 64% | 0.636 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.8 | -42.3 | 179.4 | -74.9 | -8.2 | 0 | 0 | 0 | 112 | A1700 A1706 Q1707 F1708 | A1700-D1704 PolarHBondContact O-N 3.46Å; D1704-A1706 VanDerWaalsContact C-N 3.33Å; D1704-A1706 PolarHBondContact O-N 3.15Å; D1704-Q1707 PolarHBondContact O-N 3.3Å; D1704-F1708 WeakPolarHBondContact O-CB 3.25Å; D1704-F1708 PolarHBondContact O-N 3.14Å |
| 1705 | N | 64.2 | Low | 59.6 | Low | 84.4 Ų | 84.4 | 87.7 Ų | 87.7 | 45% | 0.451 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.9 | -34.8 | 177.5 | -75.9 | -28.3 | 0 | 0 | 0 | 112.7 | V1701 T1703 S1709 | V1701-N1705 PolarHBondContact O-N 2.86Å; V1701-N1705 PolarHBondContact O-ND2 3.16Å; T1703-N1705 PolarHBondContact O-N 3.18Å; N1705-S1709 VanDerWaalsContact O-CB 3.29Å; N1705-S1709 WeakPolarHBondContact O-CB 3.35Å; N1705-S1709 PolarHBondContact O-N 3.2Å; N1705-S1709 PolarHBondContact O-OG 3.18Å |
| 1706 | A | 73.2 | Confident | 62.4 | Low | 56.6 Ų | 56.6 | 84.5 Ų | 84.5 | 47% | 0.468 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.3 | -41.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T1702 T1703 D1704 S1709 K1710 | T1702-A1706 VanDerWaalsContact O-CB 3.26Å; T1702-A1706 WeakPolarHBondContact O-CB 3.31Å; T1702-A1706 PolarHBondContact O-N 3.16Å; T1703-A1706 PolarHBondContact O-N 3.33Å; D1704-A1706 VanDerWaalsContact C-N 3.33Å; D1704-A1706 PolarHBondContact O-N 3.15Å; A1706-S1709 PolarHBondContact O-N 3.04Å; A1706-K1710 WeakPolarHBondContact O-CG 3.37Å; A1706-K1710 PolarHBondContact O-N 3.13Å; A1706-K1710 VanDerWaalsContact O-N 3.09Å |
| 1707 | Q | 76.3 | Confident | 65.2 | Low | 72.6 Ų | 72.6 | 79.8 Ų | 79.8 | 34% | 0.339 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.8 | -44.8 | 176.2 | -178 | 56.8 | 27.4 | 0 | 0 | 111.3 | T1703 D1704 S1709 K1710 D1711 | T1703-Q1707 PolarHBondContact O-N 3.26Å; D1704-Q1707 PolarHBondContact O-N 3.3Å; Q1707-S1709 VanDerWaalsContact C-N 3.32Å; Q1707-S1709 PolarHBondContact O-N 3.27Å; Q1707-K1710 WeakPolarHBondContact O-CA 3.49Å; Q1707-K1710 WeakPolarHBondContact O-CB 3.42Å; Q1707-K1710 PolarHBondContact O-N 3.28Å; Q1707-K1710 VanDerWaalsContact O-N 3.14Å; Q1707-D1711 VanDerWaalsContact NE2-CG 3.31Å; Q1707-D1711 PolarHBondContact NE2-OD1 3.07Å; Q1707-D1711 VanDerWaalsContact NE2-OD1 3.13Å; Q1707-D1711 PolarHBondContact NE2-OD2 3.15Å; Q1707-D1711 VanDerWaalsContact NE2-OD2 3.14Å; Q1707-D1711 PolarHBondContact O-N 3.16Å |
| 1708 | F | 76.6 | Confident | 68.1 | Low | 33 Ų | 33 | 71 Ų | 71 | 15% | 0.145 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -53.7 | -47.6 | 173.6 | 179.6 | -95.5 | 0 | 0 | 0 | 112.3 | D1704 K1710 D1711 E1712 R1977 H1978 L1981 | D1704-F1708 WeakPolarHBondContact O-CB 3.25Å; D1704-F1708 PolarHBondContact O-N 3.14Å; F1708-K1710 VanDerWaalsContact C-N 3.28Å; F1708-K1710 PolarHBondContact O-N 3.11Å; F1708-D1711 PolarHBondContact O-N 3.16Å; F1708-E1712 HydrophobicContact CE1-CB 4.43Å; F1708-E1712 VanDerWaalsContact O-CB 3.25Å; F1708-E1712 WeakPolarHBondContact O-CB 3.43Å; F1708-E1712 PolarHBondContact O-N 2.96Å; F1708-R1977 HydrophobicContact CZ-CB 4.19Å; F1708-H1978 AromaticContact CD1-CE1 3.73Å; F1708-H1978 AromaticContact CD1-NE2 3.62Å; F1708-H1978 AromaticContact CD2-CD2 3.56Å; F1708-H1978 VanDerWaalsContact CD2-CD2 3.45Å; F1708-H1978 WeakPolarHBondContact CD2-CD2 3.5Å; F1708-H1978 AromaticContact CD2-NE2 3.84Å; F1708-H1978 AromaticContact CE1-CD2 3.95Å; F1708-H1978 AromaticContact CE1-CE1 3.6Å; F1708-H1978 VanDerWaalsContact CE1-CE1 3.44Å; F1708-H1978 WeakPolarHBondContact CE1-CE1 3.28Å; F1708-H1978 AromaticContact CE1-ND1 3.78Å; F1708-H1978 AromaticContact CE1-NE2 3.7Å; F1708-H1978 VanDerWaalsContact CE2-CA 3.48Å; F1708-H1978 HydrophobicContact CE2-CB 4.1Å; F1708-H1978 AromaticContact CE2-CD2 3.46Å; F1708-H1978 VanDerWaalsContact CE2-CD2 3.49Å; F1708-H1978 WeakPolarHBondContact CE2-CD2 3.32Å; F1708-H1978 AromaticContact CE2-CG 3.65Å; F1708-H1978 AromaticContact CE2-ND1 3.95Å; F1708-H1978 AromaticContact CE2-NE2 3.92Å; F1708-H1978 AromaticContact CG-CD2 3.89Å; F1708-H1978 AromaticContact CG-NE2 3.7Å; F1708-H1978 WeakPolarHBondContact CG-NE2 3.38Å; F1708-H1978 HydrophobicContact CZ-CB 4.28Å; F1708-H1978 AromaticContact CZ-CD2 3.73Å; F1708-H1978 AromaticContact CZ-CE1 3.81Å; F1708-H1978 AromaticContact CZ-CG 3.64Å; F1708-H1978 AromaticContact CZ-ND1 3.69Å; F1708-H1978 AromaticContact CZ-NE2 3.85Å; F1708-L1981 HydrophobicContact CD2-CD1 4.07Å; F1708-L1981 HydrophobicContact CD2-CD2 3.73Å; F1708-L1981 VanDerWaalsContact CD2-CD2 3.41Å; F1708-L1981 HydrophobicContact CE1-CD1 4.41Å; F1708-L1981 HydrophobicContact CE2-CB 3.89Å; F1708-L1981 HydrophobicContact CE2-CD1 3.44Å; F1708-L1981 HydrophobicContact CE2-CD2 3.6Å; F1708-L1981 HydrophobicContact CE2-CG 4.15Å; F1708-L1981 HydrophobicContact CG-CD2 4.17Å; F1708-L1981 HydrophobicContact CZ-CB 4.27Å; F1708-L1981 HydrophobicContact CZ-CD1 3.76Å; F1708-L1981 VanDerWaalsContact CZ-CD1 3.41Å; F1708-L1981 HydrophobicContact CZ-CD2 3.88Å |
| 1709 | S | 78.8 | Confident | 71 | Confident | 65.6 Ų | 65.6 | 67.2 Ų | 67.2 | 46% | 0.459 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.4 | -33.4 | 179.3 | -60 | 0 | 0 | 0 | 0 | 112.7 | N1705 A1706 Q1707 K1713 | N1705-S1709 VanDerWaalsContact O-CB 3.29Å; N1705-S1709 WeakPolarHBondContact O-CB 3.35Å; N1705-S1709 PolarHBondContact O-N 3.2Å; N1705-S1709 PolarHBondContact O-OG 3.18Å; A1706-S1709 PolarHBondContact O-N 3.04Å; Q1707-S1709 VanDerWaalsContact C-N 3.32Å; Q1707-S1709 PolarHBondContact O-N 3.27Å; S1709-K1713 VanDerWaalsContact O-CB 3.29Å; S1709-K1713 WeakPolarHBondContact O-CB 3.42Å; S1709-K1713 VanDerWaalsContact O-CD 3.22Å; S1709-K1713 WeakPolarHBondContact O-CD 3.48Å; S1709-K1713 WeakPolarHBondContact O-CG 3.35Å; S1709-K1713 PolarHBondContact O-N 3.12Å; S1709-K1713 VanDerWaalsContact O-N 3.08Å |
| 1710 | K | 83.1 | Confident | 73.9 | Confident | 139 Ų | 139 | 62.6 Ų | 62.6 | 60% | 0.604 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -70.4 | -46.1 | 175.1 | -137.5 | 177.1 | -178.7 | -179.9 | 0 | 111.4 | A1706 Q1707 F1708 E1712 K1713 H1714 | A1706-K1710 WeakPolarHBondContact O-CG 3.37Å; A1706-K1710 PolarHBondContact O-N 3.13Å; A1706-K1710 VanDerWaalsContact O-N 3.09Å; Q1707-K1710 WeakPolarHBondContact O-CA 3.49Å; Q1707-K1710 WeakPolarHBondContact O-CB 3.42Å; Q1707-K1710 PolarHBondContact O-N 3.28Å; Q1707-K1710 VanDerWaalsContact O-N 3.14Å; F1708-K1710 VanDerWaalsContact C-N 3.28Å; F1708-K1710 PolarHBondContact O-N 3.11Å; K1710-E1712 VanDerWaalsContact C-N 3.35Å; K1710-E1712 PolarHBondContact O-N 3.21Å; K1710-K1713 PolarHBondContact O-N 3.15Å; K1710-H1714 WeakPolarHBondContact O-CB 3.41Å; K1710-H1714 PolarHBondContact O-N 3.29Å |
| 1711 | D | 82.6 | Confident | 76.5 | Confident | 18.8 Ų | 18.8 | 60.7 Ų | 60.7 | 10% | 0.101 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 179.8 | -75.8 | -28.4 | 0 | 0 | 0 | 111.5 | P1666 Q1707 F1708 K1713 H1714 V1715 L1981 | P1666-D1711 HydrophobicContact CB-CB 3.68Å; Q1707-D1711 VanDerWaalsContact NE2-CG 3.31Å; Q1707-D1711 PolarHBondContact NE2-OD1 3.07Å; Q1707-D1711 VanDerWaalsContact NE2-OD1 3.13Å; Q1707-D1711 PolarHBondContact NE2-OD2 3.15Å; Q1707-D1711 VanDerWaalsContact NE2-OD2 3.14Å; Q1707-D1711 PolarHBondContact O-N 3.16Å; F1708-D1711 PolarHBondContact O-N 3.16Å; D1711-K1713 PolarHBondContact O-N 3.49Å; D1711-H1714 WeakPolarHBondContact O-CB 3.41Å; D1711-H1714 PolarHBondContact O-N 3.08Å; D1711-V1715 WeakPolarHBondContact O-CG2 3.29Å; D1711-V1715 PolarHBondContact O-N 3.25Å; D1711-L1981 HydrophobicContact CB-CD1 4.02Å; D1711-L1981 HydrophobicContact CB-CD2 4.02Å |
| 1712 | E | 86.2 | Confident | 79.2 | Confident | 16.6 Ų | 16.6 | 56.3 Ų | 56.3 | 8% | 0.078 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.8 | -48.9 | 173.7 | -178.3 | 168 | -143.7 | 0 | 0 | 112 | F1708 K1710 H1714 V1715 L1716 L1940 N1944 R1977 L1981 | F1708-E1712 HydrophobicContact CE1-CB 4.43Å; F1708-E1712 VanDerWaalsContact O-CB 3.25Å; F1708-E1712 WeakPolarHBondContact O-CB 3.43Å; F1708-E1712 PolarHBondContact O-N 2.96Å; K1710-E1712 VanDerWaalsContact C-N 3.35Å; K1710-E1712 PolarHBondContact O-N 3.21Å; E1712-H1714 VanDerWaalsContact C-N 3.28Å; E1712-H1714 PolarHBondContact O-N 3.2Å; E1712-V1715 PolarHBondContact O-N 3.24Å; E1712-V1715 VanDerWaalsContact O-N 3.15Å; E1712-L1716 HydrophobicContact CG-CD1 3.78Å; E1712-L1716 HydrophobicContact CG-CG 4.29Å; E1712-L1716 WeakPolarHBondContact O-CB 3.32Å; E1712-L1716 WeakPolarHBondContact O-CD1 3.49Å; E1712-L1716 VanDerWaalsContact O-CG 3.26Å; E1712-L1716 WeakPolarHBondContact O-CG 3.32Å; E1712-L1716 PolarHBondContact O-N 3.06Å; E1712-L1940 HydrophobicContact CG-CD1 4.06Å; E1712-L1940 HydrophobicContact CG-CD2 4.17Å; E1712-L1940 HydrophobicContact CG-CG 4.17Å; E1712-L1940 WeakPolarHBondContact OE1-CD1 3.43Å; E1712-N1944 PolarHBondContact OE1-ND2 2.68Å; E1712-R1977 IonicContact OE1-CZ 3.19Å; E1712-R1977 IonicContact OE1-NE 3.25Å; E1712-R1977 PolarHBondContact OE1-NE 3.16Å; E1712-R1977 IonicContact OE1-NH1 3.22Å; E1712-R1977 IonicContact OE1-NH2 3.54Å; E1712-R1977 PolarHBondContact OE1-NH2 3.28Å; E1712-R1977 IonicContact OE2-CZ 3.19Å; E1712-R1977 VanDerWaalsContact OE2-CZ 3.25Å; E1712-R1977 IonicContact OE2-NE 3.13Å; E1712-R1977 PolarHBondContact OE2-NE 3.22Å; E1712-R1977 VanDerWaalsContact OE2-NE 3.09Å; E1712-R1977 IonicContact OE2-NH2 3.35Å; E1712-R1977 PolarHBondContact OE2-NH2 3.32Å; E1712-L1981 VanDerWaalsContact CA-CD1 3.48Å; E1712-L1981 HydrophobicContact CB-CD1 3.66Å; E1712-L1981 HydrophobicContact CB-CD2 4.42Å; E1712-L1981 HydrophobicContact CG-CD1 3.92Å |
| 1713 | K | 86.9 | Confident | 81.7 | Confident | 139.8 Ų | 139.8 | 54.8 Ų | 54.8 | 61% | 0.608 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -59.2 | -38.3 | 177 | -161.2 | 176.9 | -178.1 | 178.8 | 0 | 111.3 | S1709 K1710 D1711 N1717 | S1709-K1713 VanDerWaalsContact O-CB 3.29Å; S1709-K1713 WeakPolarHBondContact O-CB 3.42Å; S1709-K1713 VanDerWaalsContact O-CD 3.22Å; S1709-K1713 WeakPolarHBondContact O-CD 3.48Å; S1709-K1713 WeakPolarHBondContact O-CG 3.35Å; S1709-K1713 PolarHBondContact O-N 3.12Å; S1709-K1713 VanDerWaalsContact O-N 3.08Å; K1710-K1713 PolarHBondContact O-N 3.15Å; D1711-K1713 PolarHBondContact O-N 3.49Å; K1713-N1717 VanDerWaalsContact O-CB 3.26Å; K1713-N1717 WeakPolarHBondContact O-CB 3.41Å; K1713-N1717 PolarHBondContact O-N 3.17Å; K1713-N1717 PolarHBondContact O-ND2 3.09Å; K1713-N1717 PolarHBondContact O-OD1 3.2Å |
| 1714 | H | 86.8 | Confident | 84 | Confident | 72.2 Ų | 72.2 | 57.6 Ų | 57.6 | 33% | 0.334 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 176.7 | -177.4 | -7 | 0 | 0 | 0 | 112 | H1664 K1710 D1711 E1712 N1717 S1718 | H1664-H1714 VanDerWaalsContact CB-CE1 3.49Å; H1664-H1714 WeakPolarHBondContact CB-CE1 3.38Å; H1664-H1714 VanDerWaalsContact CB-NE2 3.35Å; H1664-H1714 WeakPolarHBondContact CB-NE2 3.47Å; H1664-H1714 AromaticContact CD2-NE2 3.94Å; H1664-H1714 AromaticContact CG-NE2 3.88Å; K1710-H1714 WeakPolarHBondContact O-CB 3.41Å; K1710-H1714 PolarHBondContact O-N 3.29Å; D1711-H1714 WeakPolarHBondContact O-CB 3.41Å; D1711-H1714 PolarHBondContact O-N 3.08Å; E1712-H1714 VanDerWaalsContact C-N 3.28Å; E1712-H1714 PolarHBondContact O-N 3.2Å; H1714-N1717 PolarHBondContact O-N 3.26Å; H1714-S1718 PolarHBondContact O-N 3.3Å |
| 1715 | V | 88.1 | Confident | 85.8 | Confident | 0.6 Ų | 0.6 | 53 Ų | 53 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 179.1 | 175.7 | 0 | 0 | 0 | 0 | 111 | D1711 E1712 N1717 S1718 Y1719 A1937 L1940 L1981 L1984 | D1711-V1715 WeakPolarHBondContact O-CG2 3.29Å; D1711-V1715 PolarHBondContact O-N 3.25Å; E1712-V1715 PolarHBondContact O-N 3.24Å; E1712-V1715 VanDerWaalsContact O-N 3.15Å; V1715-N1717 VanDerWaalsContact C-N 3.32Å; V1715-N1717 PolarHBondContact O-N 3.17Å; V1715-S1718 WeakPolarHBondContact O-CB 3.34Å; V1715-S1718 PolarHBondContact O-N 3.1Å; V1715-S1718 VanDerWaalsContact O-N 3.14Å; V1715-S1718 PolarHBondContact O-OG 3.11Å; V1715-Y1719 PolarHBondContact O-N 3.23Å; V1715-A1937 HydrophobicContact CG1-CB 3.99Å; V1715-L1940 HydrophobicContact CB-CD2 4.05Å; V1715-L1940 HydrophobicContact CG1-CD2 3.72Å; V1715-L1981 HydrophobicContact CB-CD2 4.29Å; V1715-L1981 HydrophobicContact CG2-CD1 3.87Å; V1715-L1981 HydrophobicContact CG2-CD2 3.78Å; V1715-L1984 HydrophobicContact CB-CD2 4.14Å; V1715-L1984 HydrophobicContact CG1-CD2 3.54Å; V1715-L1984 HydrophobicContact CG2-CD2 3.42Å |
| 1716 | L | 89.4 | Confident | 87.3 | Confident | 28.6 Ų | 28.6 | 49 Ų | 49 | 15% | 0.15 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.4 | -40.1 | 177.1 | -83.1 | 154 | 0 | 0 | 0 | 112 | E1712 S1718 Y1719 S1720 L1940 H1941 N1944 | E1712-L1716 HydrophobicContact CG-CD1 3.78Å; E1712-L1716 HydrophobicContact CG-CG 4.29Å; E1712-L1716 WeakPolarHBondContact O-CB 3.32Å; E1712-L1716 WeakPolarHBondContact O-CD1 3.49Å; E1712-L1716 VanDerWaalsContact O-CG 3.26Å; E1712-L1716 WeakPolarHBondContact O-CG 3.32Å; E1712-L1716 PolarHBondContact O-N 3.06Å; L1716-S1718 VanDerWaalsContact C-N 3.32Å; L1716-S1718 PolarHBondContact O-N 2.59Å; L1716-Y1719 PolarHBondContact O-N 3.01Å; L1716-S1720 WeakPolarHBondContact O-CB 3.5Å; L1716-S1720 PolarHBondContact O-N 3.22Å; L1716-S1720 PolarHBondContact O-OG 3.06Å; L1716-L1940 HydrophobicContact CD2-CD2 4.39Å; L1716-L1940 HydrophobicContact CD2-CG 4.22Å; L1716-L1940 HydrophobicContact CG-CD2 4.39Å; L1716-H1941 VanDerWaalsContact CD2-CA 3.47Å; L1716-H1941 HydrophobicContact CD2-CB 4.01Å; L1716-N1944 HydrophobicContact CD1-CB 4.4Å; L1716-N1944 VanDerWaalsContact CD1-ND2 3.3Å; L1716-N1944 WeakPolarHBondContact CD1-ND2 3.37Å; L1716-N1944 HydrophobicContact CD2-CB 4.4Å; L1716-N1944 WeakPolarHBondContact CD2-ND2 3.44Å |
| 1717 | N | 90.5 | Very high | 88.4 | Confident | 82.4 Ų | 82.4 | 49.4 Ų | 49.4 | 44% | 0.441 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 173.4 | -90 | -1 | 0 | 0 | 0 | 110.9 | K1713 H1714 V1715 Y1719 S1720 T1721 R1724 | K1713-N1717 VanDerWaalsContact O-CB 3.26Å; K1713-N1717 WeakPolarHBondContact O-CB 3.41Å; K1713-N1717 PolarHBondContact O-N 3.17Å; K1713-N1717 PolarHBondContact O-ND2 3.09Å; K1713-N1717 PolarHBondContact O-OD1 3.2Å; H1714-N1717 PolarHBondContact O-N 3.26Å; V1715-N1717 VanDerWaalsContact C-N 3.32Å; V1715-N1717 PolarHBondContact O-N 3.17Å; N1717-Y1719 VanDerWaalsContact C-N 3.33Å; N1717-Y1719 PolarHBondContact O-N 3.06Å; N1717-S1720 WeakPolarHBondContact CA-OG 3.4Å; N1717-S1720 CarbonylContact O-C 3.58Å; N1717-S1720 WeakPolarHBondContact O-CB 3.26Å; N1717-S1720 PolarHBondContact O-N 3.01Å; N1717-S1720 VanDerWaalsContact O-N 3.13Å; N1717-S1720 PolarHBondContact O-OG 3.26Å; N1717-S1720 PolarHBondContact OD1-OG 3.34Å; N1717-T1721 VanDerWaalsContact O-CB 3.32Å; N1717-T1721 WeakPolarHBondContact O-CB 3.35Å; N1717-T1721 VanDerWaalsContact O-CG2 3.31Å; N1717-T1721 WeakPolarHBondContact O-CG2 3.38Å; N1717-T1721 PolarHBondContact O-N 2.95Å; N1717-T1721 PolarHBondContact O-OG1 3.25Å; N1717-T1721 VanDerWaalsContact O-OG1 3.04Å; N1717-R1724 PolarHBondContact OD1-NH2 3Å |
| 1718 | S | 89.5 | Confident | 89.2 | Confident | 5.6 Ų | 5.6 | 50.2 Ų | 50.2 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | 176.7 | 79.8 | 0 | 0 | 0 | 0 | 112.1 | H1664 H1714 V1715 L1716 S1720 T1721 A1722 | H1664-S1718 PolarHBondContact N-OG 2.91Å; H1714-S1718 PolarHBondContact O-N 3.3Å; V1715-S1718 WeakPolarHBondContact O-CB 3.34Å; V1715-S1718 PolarHBondContact O-N 3.1Å; V1715-S1718 VanDerWaalsContact O-N 3.14Å; V1715-S1718 PolarHBondContact O-OG 3.11Å; L1716-S1718 VanDerWaalsContact C-N 3.32Å; L1716-S1718 PolarHBondContact O-N 2.59Å; S1718-S1720 PolarHBondContact O-N 2.99Å; S1718-T1721 VanDerWaalsContact C-OG1 3.3Å; S1718-T1721 VanDerWaalsContact CA-OG1 3.31Å; S1718-T1721 WeakPolarHBondContact CA-OG1 3.3Å; S1718-T1721 WeakPolarHBondContact O-CB 3.37Å; S1718-T1721 PolarHBondContact O-N 3.09Å; S1718-T1721 PolarHBondContact O-OG1 3.44Å; S1718-A1722 PolarHBondContact O-N 3.12Å |
| 1719 | Y | 91.9 | Very high | 90.1 | Very high | 10 Ų | 10 | 48.7 Ų | 48.7 | 4% | 0.039 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.9 | -44.2 | 174.9 | -176.4 | -95.1 | 0 | 0 | 0 | 112.1 | I1663 V1715 L1716 N1717 T1721 A1722 V1723 I1772 F1934 A1937 A1938 H1941 | I1663-Y1719 HydrophobicContact CD1-CD2 4.11Å; I1663-Y1719 HydrophobicContact CD1-CG 4.49Å; V1715-Y1719 PolarHBondContact O-N 3.23Å; L1716-Y1719 PolarHBondContact O-N 3.01Å; N1717-Y1719 VanDerWaalsContact C-N 3.33Å; N1717-Y1719 PolarHBondContact O-N 3.06Å; Y1719-T1721 VanDerWaalsContact C-N 3.29Å; Y1719-T1721 PolarHBondContact O-N 3.24Å; Y1719-A1722 WeakPolarHBondContact O-CA 3.48Å; Y1719-A1722 WeakPolarHBondContact O-CB 3.27Å; Y1719-A1722 PolarHBondContact O-N 3.02Å; Y1719-A1722 VanDerWaalsContact O-N 3.11Å; Y1719-V1723 HydrophobicContact CD1-CG2 4.39Å; Y1719-V1723 HydrophobicContact CE1-CG2 4.1Å; Y1719-V1723 WeakPolarHBondContact O-CG2 3.34Å; Y1719-V1723 PolarHBondContact O-N 3.15Å; Y1719-V1723 VanDerWaalsContact O-N 3.11Å; Y1719-I1772 HydrophobicContact CD2-CD1 4.45Å; Y1719-I1772 HydrophobicContact CE1-CD1 4.34Å; Y1719-I1772 HydrophobicContact CE2-CD1 3.48Å; Y1719-I1772 VanDerWaalsContact CE2-CD1 3.5Å; Y1719-I1772 WeakPolarHBondContact OH-CD1 3.36Å; Y1719-F1934 HydrophobicContact CE2-CE1 4.39Å; Y1719-F1934 HydrophobicContact CE2-CZ 4.28Å; Y1719-A1937 HydrophobicContact CD2-CB 4.16Å; Y1719-A1938 VanDerWaalsContact CE2-CA 3.45Å; Y1719-A1938 HydrophobicContact CE2-CB 3.71Å; Y1719-H1941 HydrophobicContact CD1-CB 3.73Å; Y1719-H1941 AromaticContact CD1-CD2 3.47Å; Y1719-H1941 VanDerWaalsContact CD1-CD2 3.46Å; Y1719-H1941 WeakPolarHBondContact CD1-CD2 3.39Å; Y1719-H1941 AromaticContact CD1-CG 3.52Å; Y1719-H1941 VanDerWaalsContact CD1-CG 3.47Å; Y1719-H1941 HydrophobicContact CE1-CB 3.74Å; Y1719-H1941 AromaticContact CE1-CD2 3.64Å; Y1719-H1941 AromaticContact CE1-CE1 3.95Å; Y1719-H1941 AromaticContact CE1-CG 3.36Å; Y1719-H1941 VanDerWaalsContact CE1-CG 3.46Å; Y1719-H1941 AromaticContact CE1-ND1 3.58Å; Y1719-H1941 AromaticContact CE1-NE2 3.91Å; Y1719-H1941 HydrophobicContact CG-CB 4.29Å |
| 1720 | S | 91.8 | Very high | 90.9 | Very high | 46 Ų | 46 | 45.6 Ų | 45.6 | 32% | 0.322 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.9 | -35.5 | 174.8 | 79.5 | 0 | 0 | 0 | 0 | 112.2 | L1716 N1717 S1718 V1723 R1724 | L1716-S1720 WeakPolarHBondContact O-CB 3.5Å; L1716-S1720 PolarHBondContact O-N 3.22Å; L1716-S1720 PolarHBondContact O-OG 3.06Å; N1717-S1720 WeakPolarHBondContact CA-OG 3.4Å; N1717-S1720 CarbonylContact O-C 3.58Å; N1717-S1720 WeakPolarHBondContact O-CB 3.26Å; N1717-S1720 PolarHBondContact O-N 3.01Å; N1717-S1720 VanDerWaalsContact O-N 3.13Å; N1717-S1720 PolarHBondContact O-OG 3.26Å; N1717-S1720 PolarHBondContact OD1-OG 3.34Å; S1718-S1720 PolarHBondContact O-N 2.99Å; S1720-V1723 PolarHBondContact O-N 3.17Å; S1720-R1724 WeakPolarHBondContact O-CB 3.21Å; S1720-R1724 WeakPolarHBondContact O-CG 3.31Å; S1720-R1724 PolarHBondContact O-N 3.05Å; S1720-R1724 PolarHBondContact O-NE 2.92Å; S1720-R1724 PolarHBondContact OG-NH2 2.97Å; S1720-R1724 VanDerWaalsContact OG-NH2 3.08Å |
| 1721 | T | 91.7 | Very high | 91.3 | Very high | 25.2 Ų | 25.2 | 39.6 Ų | 39.6 | 16% | 0.155 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.9 | -40 | 174.2 | -20.7 | 0 | 0 | 0 | 0 | 111.1 | L1662 N1717 S1718 Y1719 V1723 R1724 H1725 | L1662-T1721 HydrophobicContact CD2-CG2 4.44Å; N1717-T1721 VanDerWaalsContact O-CB 3.32Å; N1717-T1721 WeakPolarHBondContact O-CB 3.35Å; N1717-T1721 VanDerWaalsContact O-CG2 3.31Å; N1717-T1721 WeakPolarHBondContact O-CG2 3.38Å; N1717-T1721 PolarHBondContact O-N 2.95Å; N1717-T1721 PolarHBondContact O-OG1 3.25Å; N1717-T1721 VanDerWaalsContact O-OG1 3.04Å; S1718-T1721 VanDerWaalsContact C-OG1 3.3Å; S1718-T1721 VanDerWaalsContact CA-OG1 3.31Å; S1718-T1721 WeakPolarHBondContact CA-OG1 3.3Å; S1718-T1721 WeakPolarHBondContact O-CB 3.37Å; S1718-T1721 PolarHBondContact O-N 3.09Å; S1718-T1721 PolarHBondContact O-OG1 3.44Å; Y1719-T1721 VanDerWaalsContact C-N 3.29Å; Y1719-T1721 PolarHBondContact O-N 3.24Å; T1721-V1723 VanDerWaalsContact C-N 3.34Å; T1721-V1723 PolarHBondContact O-N 3.23Å; T1721-R1724 PolarHBondContact O-N 3.1Å; T1721-R1724 VanDerWaalsContact O-N 3.15Å; T1721-R1724 PolarHBondContact OG1-NH1 2.98Å; T1721-R1724 PolarHBondContact OG1-NH2 3.18Å; T1721-H1725 VanDerWaalsContact CG2-CD2 3.49Å; T1721-H1725 WeakPolarHBondContact CG2-CD2 3.13Å; T1721-H1725 WeakPolarHBondContact O-CB 3.41Å; T1721-H1725 PolarHBondContact O-CD2 3.03Å; T1721-H1725 VanDerWaalsContact O-CD2 3.24Å; T1721-H1725 PolarHBondContact O-N 3.08Å |
| 1722 | A | 93.6 | Very high | 91.7 | Very high | 0.8 Ų | 0.8 | 39.2 Ų | 39.2 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.9 | -44.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1659 L1662 I1663 S1718 Y1719 R1724 H1725 A1726 F1934 | T1659-A1722 HydrophobicContact CG2-CB 4.42Å; L1662-A1722 HydrophobicContact CB-CB 4Å; L1662-A1722 HydrophobicContact CD1-CB 4.21Å; I1663-A1722 HydrophobicContact CD1-CB 4.22Å; S1718-A1722 PolarHBondContact O-N 3.12Å; Y1719-A1722 WeakPolarHBondContact O-CA 3.48Å; Y1719-A1722 WeakPolarHBondContact O-CB 3.27Å; Y1719-A1722 PolarHBondContact O-N 3.02Å; Y1719-A1722 VanDerWaalsContact O-N 3.11Å; A1722-R1724 PolarHBondContact O-N 3.06Å; A1722-H1725 PolarHBondContact O-N 3.18Å; A1722-A1726 WeakPolarHBondContact O-CB 3.31Å; A1722-A1726 PolarHBondContact O-N 2.97Å; A1722-F1934 HydrophobicContact CB-CE2 4.42Å |
| 1723 | V | 93.6 | Very high | 91.8 | Very high | 49 Ų | 49 | 38.4 Ų | 38.4 | 30% | 0.297 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.6 | -42.1 | 175 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | Y1719 S1720 T1721 A1726 H1727 I1772 V1776 | Y1719-V1723 HydrophobicContact CD1-CG2 4.39Å; Y1719-V1723 HydrophobicContact CE1-CG2 4.1Å; Y1719-V1723 WeakPolarHBondContact O-CG2 3.34Å; Y1719-V1723 PolarHBondContact O-N 3.15Å; Y1719-V1723 VanDerWaalsContact O-N 3.11Å; S1720-V1723 PolarHBondContact O-N 3.17Å; T1721-V1723 VanDerWaalsContact C-N 3.34Å; T1721-V1723 PolarHBondContact O-N 3.23Å; V1723-A1726 WeakPolarHBondContact O-CB 3.25Å; V1723-A1726 PolarHBondContact O-N 3.15Å; V1723-H1727 PolarHBondContact O-N 3.22Å; V1723-H1727 VanDerWaalsContact O-N 3.1Å; V1723-I1772 HydrophobicContact CB-CG2 4.45Å; V1723-I1772 HydrophobicContact CG2-CD1 4.36Å; V1723-I1772 HydrophobicContact CG2-CG2 3.93Å; V1723-V1776 HydrophobicContact CG1-CG2 3.9Å |
| 1724 | R | 94.1 | Very high | 92 | Very high | 143.8 Ų | 143.8 | 31.8 Ų | 31.8 | 54% | 0.543 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63.7 | -41.7 | 176.7 | -137.7 | 178.7 | -39.3 | 117.5 | 0.6 | 112.3 | E1566 N1717 S1720 T1721 A1722 H1727 Y1728 | E1566-R1724 IonicContact OE1-NH2 3.95Å; N1717-R1724 PolarHBondContact OD1-NH2 3Å; S1720-R1724 WeakPolarHBondContact O-CB 3.21Å; S1720-R1724 WeakPolarHBondContact O-CG 3.31Å; S1720-R1724 PolarHBondContact O-N 3.05Å; S1720-R1724 PolarHBondContact O-NE 2.92Å; S1720-R1724 PolarHBondContact OG-NH2 2.97Å; S1720-R1724 VanDerWaalsContact OG-NH2 3.08Å; T1721-R1724 PolarHBondContact O-N 3.1Å; T1721-R1724 VanDerWaalsContact O-N 3.15Å; T1721-R1724 PolarHBondContact OG1-NH1 2.98Å; T1721-R1724 PolarHBondContact OG1-NH2 3.18Å; A1722-R1724 PolarHBondContact O-N 3.06Å; R1724-H1727 WeakPolarHBondContact O-CB 3.35Å; R1724-H1727 PolarHBondContact O-N 3.02Å; R1724-Y1728 PolarHBondContact O-N 3.23Å |
| 1725 | H | 93.6 | Very high | 92 | Very high | 22.6 Ų | 22.6 | 34.2 Ų | 34.2 | 11% | 0.105 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -71.8 | -36.2 | 177.6 | -79.5 | -72.2 | 0 | 0 | 0 | 112.5 | Y1562 R1569 L1662 T1721 A1722 H1727 Y1728 L1729 | Y1562-H1725 HydrophobicContact CE1-CB 4.43Å; Y1562-H1725 AromaticContact CE1-ND1 3.81Å; Y1562-H1725 AromaticContact CZ-ND1 3.69Å; Y1562-H1725 PolarHBondContact OH-CE1 3.04Å; Y1562-H1725 VanDerWaalsContact OH-CE1 3.32Å; Y1562-H1725 PolarHBondContact OH-ND1 3.22Å; R1569-H1725 WeakPolarHBondContact CD-NE2 3.27Å; R1569-H1725 PolarHBondContact NH1-NE2 3.13Å; L1662-H1725 HydrophobicContact CD1-CB 3.63Å; T1721-H1725 VanDerWaalsContact CG2-CD2 3.49Å; T1721-H1725 WeakPolarHBondContact CG2-CD2 3.13Å; T1721-H1725 WeakPolarHBondContact O-CB 3.41Å; T1721-H1725 PolarHBondContact O-CD2 3.03Å; T1721-H1725 VanDerWaalsContact O-CD2 3.24Å; T1721-H1725 PolarHBondContact O-N 3.08Å; A1722-H1725 PolarHBondContact O-N 3.18Å; H1725-H1727 VanDerWaalsContact C-N 3.26Å; H1725-H1727 PolarHBondContact O-N 2.95Å; H1725-Y1728 WeakPolarHBondContact O-CB 3.35Å; H1725-Y1728 PolarHBondContact O-N 3.02Å; H1725-Y1728 VanDerWaalsContact O-N 3.13Å; H1725-L1729 VanDerWaalsContact O-CG 3.32Å; H1725-L1729 WeakPolarHBondContact O-CG 3.26Å; H1725-L1729 PolarHBondContact O-N 3.08Å |
| 1726 | A | 95.1 | Very high | 91.9 | Very high | 0.2 Ų | 0.2 | 37.4 Ų | 37.4 | 0% | 0.002 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55 | -42.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T1659 A1722 V1723 L1729 L1730 L1773 V1776 | T1659-A1726 HydrophobicContact CG2-CB 3.98Å; A1722-A1726 WeakPolarHBondContact O-CB 3.31Å; A1722-A1726 PolarHBondContact O-N 2.97Å; V1723-A1726 WeakPolarHBondContact O-CB 3.25Å; V1723-A1726 PolarHBondContact O-N 3.15Å; A1726-L1729 PolarHBondContact O-N 3.43Å; A1726-L1730 WeakPolarHBondContact O-CB 3.36Å; A1726-L1730 WeakPolarHBondContact O-CG 3.37Å; A1726-L1730 PolarHBondContact O-N 3.12Å; A1726-L1730 VanDerWaalsContact O-N 3.11Å; A1726-L1773 HydrophobicContact CB-CD2 3.68Å; A1726-L1773 HydrophobicContact CB-CG 4.39Å; A1726-V1776 HydrophobicContact CB-CB 4.49Å; A1726-V1776 HydrophobicContact CB-CG1 4.45Å; A1726-V1776 HydrophobicContact CB-CG2 4.2Å |
| 1727 | H | 95.3 | Very high | 91.6 | Very high | 64.2 Ų | 64.2 | 36.6 Ų | 36.6 | 30% | 0.297 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -66.3 | -43 | 175.4 | -176.9 | 99.8 | 0 | 0 | 0 | 111.8 | V1723 R1724 H1725 L1729 S1731 V1776 | V1723-H1727 PolarHBondContact O-N 3.22Å; V1723-H1727 VanDerWaalsContact O-N 3.1Å; R1724-H1727 WeakPolarHBondContact O-CB 3.35Å; R1724-H1727 PolarHBondContact O-N 3.02Å; H1725-H1727 VanDerWaalsContact C-N 3.26Å; H1725-H1727 PolarHBondContact O-N 2.95Å; H1727-L1729 PolarHBondContact O-N 3.31Å; H1727-S1731 WeakPolarHBondContact O-CB 3.38Å; H1727-S1731 PolarHBondContact O-N 3.19Å; H1727-V1776 VanDerWaalsContact CA-CG1 3.47Å; H1727-V1776 HydrophobicContact CB-CG1 3.63Å |
| 1728 | Y | 94.5 | Very high | 91.2 | Very high | 90.4 Ų | 90.4 | 33.6 Ų | 33.6 | 36% | 0.355 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -59.4 | -45.8 | 177.3 | 176.7 | -117.5 | 0 | 0 | 0 | 112.6 | V1573 R1724 H1725 G1732 | V1573-Y1728 HydrophobicContact CB-CE1 3.93Å; V1573-Y1728 HydrophobicContact CG1-CD1 4.42Å; V1573-Y1728 HydrophobicContact CG1-CE1 3.67Å; V1573-Y1728 HydrophobicContact CG2-CD1 4.37Å; V1573-Y1728 HydrophobicContact CG2-CE1 3.89Å; R1724-Y1728 PolarHBondContact O-N 3.23Å; H1725-Y1728 WeakPolarHBondContact O-CB 3.35Å; H1725-Y1728 PolarHBondContact O-N 3.02Å; H1725-Y1728 VanDerWaalsContact O-N 3.13Å; Y1728-G1732 WeakPolarHBondContact O-CA 3.41Å; Y1728-G1732 PolarHBondContact O-N 3.05Å |
| 1729 | L | 94.8 | Very high | 90.6 | Very high | 0.4 Ų | 0.4 | 39.2 Ų | 39.2 | 0% | 0.002 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.6 | -51.9 | 178.3 | -68.6 | 172.5 | 0 | 0 | 0 | 111.8 | V1573 F1655 I1658 T1659 H1725 A1726 H1727 S1731 G1732 L1733 | V1573-L1729 HydrophobicContact CB-CD2 4.45Å; V1573-L1729 HydrophobicContact CG1-CD2 3.98Å; V1573-L1729 HydrophobicContact CG2-CD2 3.65Å; F1655-L1729 HydrophobicContact CB-CD1 4.44Å; F1655-L1729 HydrophobicContact CD1-CB 4.27Å; F1655-L1729 HydrophobicContact CD1-CD1 4.06Å; F1655-L1729 HydrophobicContact CD1-CD2 4.2Å; F1655-L1729 HydrophobicContact CD1-CG 4.41Å; F1655-L1729 HydrophobicContact CD2-CB 4.24Å; F1655-L1729 HydrophobicContact CE1-CB 4.13Å; F1655-L1729 HydrophobicContact CE1-CD2 3.95Å; F1655-L1729 HydrophobicContact CE1-CG 4.41Å; F1655-L1729 HydrophobicContact CE2-CB 4.09Å; F1655-L1729 HydrophobicContact CG-CB 4.32Å; F1655-L1729 HydrophobicContact CG-CD1 4.23Å; F1655-L1729 HydrophobicContact CZ-CB 4.04Å; F1655-L1729 HydrophobicContact CZ-CD2 4.5Å; I1658-L1729 HydrophobicContact CB-CD1 4.4Å; I1658-L1729 HydrophobicContact CG2-CD1 4.04Å; T1659-L1729 HydrophobicContact CG2-CD1 4.07Å; H1725-L1729 VanDerWaalsContact O-CG 3.32Å; H1725-L1729 WeakPolarHBondContact O-CG 3.26Å; H1725-L1729 PolarHBondContact O-N 3.08Å; A1726-L1729 PolarHBondContact O-N 3.43Å; H1727-L1729 PolarHBondContact O-N 3.31Å; L1729-S1731 PolarHBondContact O-N 2.91Å; L1729-G1732 PolarHBondContact O-N 3.1Å; L1729-L1733 PolarHBondContact O-N 3.05Å |
| 1730 | L | 94.7 | Very high | 89.3 | Confident | 0.8 Ų | 0.8 | 43 Ų | 43 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.5 | -40.3 | -178.9 | -70.2 | 171.7 | 0 | 0 | 0 | 112.2 | F1655 A1726 G1732 L1733 F1734 W1749 L1756 L1773 V1776 L1777 L1780 | F1655-L1730 HydrophobicContact CD2-CD2 4.23Å; F1655-L1730 HydrophobicContact CE2-CD2 4.23Å; A1726-L1730 WeakPolarHBondContact O-CB 3.36Å; A1726-L1730 WeakPolarHBondContact O-CG 3.37Å; A1726-L1730 PolarHBondContact O-N 3.12Å; A1726-L1730 VanDerWaalsContact O-N 3.11Å; L1730-G1732 VanDerWaalsContact C-N 3.34Å; L1730-L1733 PolarHBondContact O-N 3.27Å; L1730-F1734 VanDerWaalsContact O-CB 3.29Å; L1730-F1734 WeakPolarHBondContact O-CB 3.34Å; L1730-F1734 PolarHBondContact O-N 3.36Å; L1730-W1749 HydrophobicContact CD2-CZ3 4.35Å; L1730-L1756 HydrophobicContact CD2-CD1 4.42Å; L1730-L1773 HydrophobicContact CD1-CB 4.42Å; L1730-L1773 HydrophobicContact CD1-CD2 3.79Å; L1730-L1773 VanDerWaalsContact CD1-O 3.31Å; L1730-L1773 WeakPolarHBondContact CD1-O 3.31Å; L1730-L1773 HydrophobicContact CD2-CD2 4.43Å; L1730-L1773 HydrophobicContact CG-CD2 4.06Å; L1730-V1776 HydrophobicContact CD1-CB 4.29Å; L1730-V1776 HydrophobicContact CD1-CG1 4.02Å; L1730-L1777 HydrophobicContact CD1-CB 4.02Å; L1730-L1780 HydrophobicContact CB-CD1 4.45Å; L1730-L1780 HydrophobicContact CB-CD2 3.97Å |
| 1731 | S | 92.6 | Very high | 87.7 | Confident | 13 Ų | 13 | 44.2 Ų | 44.2 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.1 | -39.7 | 173.9 | -169.8 | 0 | 0 | 0 | 0 | 111.7 | H1727 L1729 L1733 F1734 K1735 L1780 | H1727-S1731 WeakPolarHBondContact O-CB 3.38Å; H1727-S1731 PolarHBondContact O-N 3.19Å; L1729-S1731 PolarHBondContact O-N 2.91Å; S1731-L1733 VanDerWaalsContact C-N 3.32Å; S1731-L1733 PolarHBondContact O-N 3.22Å; S1731-F1734 PolarHBondContact O-N 3.12Å; S1731-K1735 VanDerWaalsContact O-CB 3.3Å; S1731-K1735 WeakPolarHBondContact O-CB 3.31Å; S1731-K1735 VanDerWaalsContact O-CG 3.28Å; S1731-K1735 WeakPolarHBondContact O-CG 3.31Å; S1731-K1735 PolarHBondContact O-N 3.25Å; S1731-K1735 VanDerWaalsContact OG-CE 3.3Å; S1731-K1735 WeakPolarHBondContact OG-CE 3.35Å; S1731-K1735 PolarHBondContact OG-NZ 3.49Å; S1731-L1780 VanDerWaalsContact CA-CD1 3.48Å |
| 1732 | G | 89.9 | Confident | 86.1 | Confident | 10.8 Ų | 10.8 | 47.2 Ų | 47.2 | 11% | 0.111 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.3 | -38.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | Y1728 L1729 L1730 R1736 | Y1728-G1732 WeakPolarHBondContact O-CA 3.41Å; Y1728-G1732 PolarHBondContact O-N 3.05Å; L1729-G1732 PolarHBondContact O-N 3.1Å; L1730-G1732 VanDerWaalsContact C-N 3.34Å; G1732-R1736 WeakPolarHBondContact O-CD 3.37Å; G1732-R1736 VanDerWaalsContact O-CG 3.27Å; G1732-R1736 WeakPolarHBondContact O-CG 3.15Å; G1732-R1736 PolarHBondContact O-NH1 3.12Å |
| 1733 | L | 90.3 | Very high | 84.6 | Confident | 0.2 Ų | 0.2 | 54.8 Ų | 54.8 | 0% | 0.001 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73 | -49.2 | 174.6 | -176.2 | 60.1 | 0 | 0 | 0 | 111.2 | F1577 F1580 L1651 F1655 L1729 L1730 S1731 K1735 R1736 V1737 I1745 W1749 V1752 | F1577-L1733 HydrophobicContact CE1-CB 4.04Å; F1577-L1733 HydrophobicContact CE1-CD1 4.2Å; F1577-L1733 HydrophobicContact CZ-CB 4.27Å; F1580-L1733 HydrophobicContact CE1-CD1 4.22Å; L1651-L1733 HydrophobicContact CD2-CD1 4.11Å; L1651-L1733 HydrophobicContact CD2-CD2 4.03Å; F1655-L1733 HydrophobicContact CE2-CB 4.38Å; F1655-L1733 HydrophobicContact CE2-CD2 4.01Å; F1655-L1733 HydrophobicContact CZ-CB 4.39Å; F1655-L1733 HydrophobicContact CZ-CD2 4.39Å; L1729-L1733 PolarHBondContact O-N 3.05Å; L1730-L1733 PolarHBondContact O-N 3.27Å; S1731-L1733 VanDerWaalsContact C-N 3.32Å; S1731-L1733 PolarHBondContact O-N 3.22Å; L1733-K1735 VanDerWaalsContact C-N 3.32Å; L1733-K1735 PolarHBondContact O-N 3.33Å; L1733-R1736 WeakPolarHBondContact O-CB 3.5Å; L1733-R1736 PolarHBondContact O-N 3.26Å; L1733-R1736 VanDerWaalsContact O-N 3.12Å; L1733-V1737 HydrophobicContact CD1-CG2 4.37Å; L1733-V1737 HydrophobicContact CG-CG2 4.46Å; L1733-V1737 VanDerWaalsContact O-CG2 3.27Å; L1733-V1737 WeakPolarHBondContact O-CG2 3.31Å; L1733-V1737 PolarHBondContact O-N 3.34Å; L1733-V1737 VanDerWaalsContact O-N 3.09Å; L1733-I1745 HydrophobicContact CD1-CG2 4.17Å; L1733-W1749 HydrophobicContact CB-CE3 4.3Å; L1733-W1749 HydrophobicContact CB-CZ3 4.15Å; L1733-W1749 HydrophobicContact CD2-CE3 3.6Å; L1733-W1749 HydrophobicContact CD2-CZ3 3.98Å; L1733-W1749 HydrophobicContact CG-CE3 3.71Å; L1733-W1749 HydrophobicContact CG-CZ3 4.06Å; L1733-V1752 HydrophobicContact CD2-CG1 4.5Å; L1733-V1752 HydrophobicContact CD2-CG2 4.24Å |
| 1734 | F | 90 | Very high | 83.4 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.009 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58 | -43.7 | -178.9 | -176.5 | -95.9 | 0 | 0 | 0 | 112.9 | L1730 S1731 R1736 V1737 S1738 W1749 L1780 L1781 Q1784 G1810 L1813 A1814 | L1730-F1734 VanDerWaalsContact O-CB 3.29Å; L1730-F1734 WeakPolarHBondContact O-CB 3.34Å; L1730-F1734 PolarHBondContact O-N 3.36Å; S1731-F1734 PolarHBondContact O-N 3.12Å; F1734-R1736 VanDerWaalsContact C-N 3.32Å; F1734-R1736 PolarHBondContact O-N 3.03Å; F1734-V1737 WeakPolarHBondContact O-CB 3.49Å; F1734-V1737 PolarHBondContact O-N 3.22Å; F1734-V1737 VanDerWaalsContact O-N 3.11Å; F1734-S1738 WeakPolarHBondContact CE1-OG 3.34Å; F1734-S1738 WeakPolarHBondContact O-CB 3.44Å; F1734-S1738 PolarHBondContact O-N 3.06Å; F1734-S1738 PolarHBondContact O-OG 3.1Å; F1734-W1749 HydrophobicContact CB-CH2 3.83Å; F1734-W1749 HydrophobicContact CB-CZ2 4.37Å; F1734-W1749 HydrophobicContact CB-CZ3 4.02Å; F1734-W1749 AromaticContact CD2-CE2 3.94Å; F1734-W1749 AromaticContact CD2-CH2 3.87Å; F1734-W1749 HydrophobicContact CD2-CH2 3.92Å; F1734-W1749 AromaticContact CD2-CZ2 3.59Å; F1734-W1749 HydrophobicContact CD2-CZ2 3.59Å; F1734-W1749 HydrophobicContact CE2-CZ2 4.37Å; F1734-W1749 HydrophobicContact CG-CH2 4.34Å; F1734-W1749 HydrophobicContact CG-CZ2 4.4Å; F1734-L1780 HydrophobicContact CB-CD2 4.21Å; F1734-L1780 HydrophobicContact CD1-CD2 4.16Å; F1734-L1780 HydrophobicContact CD2-CD2 4.22Å; F1734-L1780 HydrophobicContact CG-CD2 3.91Å; F1734-L1781 HydrophobicContact CD2-CD2 4.24Å; F1734-L1781 HydrophobicContact CE2-CD2 4.09Å; F1734-Q1784 HydrophobicContact CD1-CG 4.19Å; F1734-Q1784 HydrophobicContact CE1-CB 4.29Å; F1734-Q1784 HydrophobicContact CE1-CG 3.6Å; F1734-Q1784 HydrophobicContact CZ-CB 4.45Å; F1734-Q1784 HydrophobicContact CZ-CG 4.12Å; F1734-G1810 WeakPolarHBondContact CZ-O 3.4Å; F1734-L1813 HydrophobicContact CD2-CD2 4.41Å; F1734-L1813 HydrophobicContact CE2-CD2 4.02Å; F1734-L1813 HydrophobicContact CE2-CG 4.33Å; F1734-A1814 HydrophobicContact CE2-CB 4.27Å; F1734-A1814 HydrophobicContact CZ-CB 4.04Å |
| 1735 | K | 86.9 | Confident | 82.8 | Confident | 122.2 Ų | 122.2 | 48.8 Ų | 48.8 | 53% | 0.531 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.8 | -40.8 | 176.6 | -75 | 175.2 | -178.1 | 179.3 | 0 | 112.2 | S1731 L1733 S1738 L1739 | S1731-K1735 VanDerWaalsContact O-CB 3.3Å; S1731-K1735 WeakPolarHBondContact O-CB 3.31Å; S1731-K1735 VanDerWaalsContact O-CG 3.28Å; S1731-K1735 WeakPolarHBondContact O-CG 3.31Å; S1731-K1735 PolarHBondContact O-N 3.25Å; S1731-K1735 VanDerWaalsContact OG-CE 3.3Å; S1731-K1735 WeakPolarHBondContact OG-CE 3.35Å; S1731-K1735 PolarHBondContact OG-NZ 3.49Å; L1733-K1735 VanDerWaalsContact C-N 3.32Å; L1733-K1735 PolarHBondContact O-N 3.33Å; K1735-S1738 PolarHBondContact O-N 2.97Å; K1735-L1739 WeakPolarHBondContact O-CB 3.42Å; K1735-L1739 VanDerWaalsContact O-CG 3.28Å; K1735-L1739 WeakPolarHBondContact O-CG 3.32Å; K1735-L1739 PolarHBondContact O-N 3.25Å |
| 1736 | R | 85.4 | Confident | 82.3 | Confident | 68.2 Ų | 68.2 | 51.7 Ų | 51.7 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.1 | -41.3 | 178.3 | -73 | 173.4 | 173.8 | 89.8 | -7.9 | 111.5 | D1574 F1577 G1732 L1733 F1734 S1738 L1739 K1740 | D1574-R1736 IonicContact OD1-NH2 2.92Å; D1574-R1736 PolarHBondContact OD1-NH2 3.19Å; F1577-R1736 VanDerWaalsContact CE2-NH1 3.26Å; G1732-R1736 WeakPolarHBondContact O-CD 3.37Å; G1732-R1736 VanDerWaalsContact O-CG 3.27Å; G1732-R1736 WeakPolarHBondContact O-CG 3.15Å; G1732-R1736 PolarHBondContact O-NH1 3.12Å; L1733-R1736 WeakPolarHBondContact O-CB 3.5Å; L1733-R1736 PolarHBondContact O-N 3.26Å; L1733-R1736 VanDerWaalsContact O-N 3.12Å; F1734-R1736 VanDerWaalsContact C-N 3.32Å; F1734-R1736 PolarHBondContact O-N 3.03Å; R1736-S1738 VanDerWaalsContact C-N 3.34Å; R1736-S1738 PolarHBondContact O-N 3.4Å; R1736-L1739 WeakPolarHBondContact O-CB 3.17Å; R1736-L1739 PolarHBondContact O-N 3.22Å; R1736-L1739 VanDerWaalsContact O-N 3.09Å; R1736-K1740 WeakPolarHBondContact O-CB 3.46Å; R1736-K1740 PolarHBondContact O-N 3.09Å; R1736-K1740 VanDerWaalsContact O-N 3.11Å |
| 1737 | V | 84.4 | Confident | 81.9 | Confident | 10.4 Ų | 10.4 | 53.3 Ų | 53.3 | 6% | 0.063 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 174.5 | -174.5 | 0 | 0 | 0 | 0 | 111 | L1733 F1734 L1739 A1741 I1745 R1746 W1749 L1813 | L1733-V1737 HydrophobicContact CD1-CG2 4.37Å; L1733-V1737 HydrophobicContact CG-CG2 4.46Å; L1733-V1737 VanDerWaalsContact O-CG2 3.27Å; L1733-V1737 WeakPolarHBondContact O-CG2 3.31Å; L1733-V1737 PolarHBondContact O-N 3.34Å; L1733-V1737 VanDerWaalsContact O-N 3.09Å; F1734-V1737 WeakPolarHBondContact O-CB 3.49Å; F1734-V1737 PolarHBondContact O-N 3.22Å; F1734-V1737 VanDerWaalsContact O-N 3.11Å; V1737-L1739 VanDerWaalsContact C-N 3.25Å; V1737-L1739 PolarHBondContact O-N 2.92Å; V1737-A1741 WeakPolarHBondContact O-CA 3.33Å; V1737-A1741 PolarHBondContact O-N 3.07Å; V1737-A1741 VanDerWaalsContact O-N 3.16Å; V1737-I1745 HydrophobicContact CB-CG2 4.34Å; V1737-I1745 HydrophobicContact CG2-CB 4.25Å; V1737-I1745 HydrophobicContact CG2-CG2 3.59Å; V1737-I1745 VanDerWaalsContact CG2-CG2 3.48Å; V1737-R1746 HydrophobicContact CG1-CB 4.29Å; V1737-W1749 HydrophobicContact CG1-CB 4.43Å; V1737-W1749 HydrophobicContact CG2-CB 3.95Å; V1737-W1749 HydrophobicContact CG2-CG 4.37Å; V1737-L1813 HydrophobicContact CB-CD2 4.13Å; V1737-L1813 HydrophobicContact CG1-CD2 3.44Å; V1737-L1813 VanDerWaalsContact CG1-CD2 3.43Å |
| 1738 | S | 80.3 | Confident | 81.5 | Confident | 20 Ų | 20 | 50.2 Ų | 50.2 | 14% | 0.14 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.3 | -29.7 | -179.7 | -57.9 | 0 | 0 | 0 | 0 | 113.6 | F1734 K1735 R1736 K1740 T1806 | F1734-S1738 WeakPolarHBondContact CE1-OG 3.34Å; F1734-S1738 WeakPolarHBondContact O-CB 3.44Å; F1734-S1738 PolarHBondContact O-N 3.06Å; F1734-S1738 PolarHBondContact O-OG 3.1Å; K1735-S1738 PolarHBondContact O-N 2.97Å; R1736-S1738 VanDerWaalsContact C-N 3.34Å; R1736-S1738 PolarHBondContact O-N 3.4Å; S1738-K1740 PolarHBondContact O-N 3.38Å; S1738-T1806 WeakPolarHBondContact O-CG2 3.42Å |
| 1739 | L | 77 | Confident | 81.3 | Confident | 123.8 Ų | 123.8 | 46 Ų | 46 | 65% | 0.648 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -83.2 | -37.1 | 180 | -70 | 170.4 | 0 | 0 | 0 | 112.3 | K1735 R1736 V1737 A1741 E1742 T1806 | K1735-L1739 WeakPolarHBondContact O-CB 3.42Å; K1735-L1739 VanDerWaalsContact O-CG 3.28Å; K1735-L1739 WeakPolarHBondContact O-CG 3.32Å; K1735-L1739 PolarHBondContact O-N 3.25Å; R1736-L1739 WeakPolarHBondContact O-CB 3.17Å; R1736-L1739 PolarHBondContact O-N 3.22Å; R1736-L1739 VanDerWaalsContact O-N 3.09Å; V1737-L1739 VanDerWaalsContact C-N 3.25Å; V1737-L1739 PolarHBondContact O-N 2.92Å; L1739-A1741 VanDerWaalsContact C-N 3.33Å; L1739-A1741 PolarHBondContact O-N 3.05Å; L1739-E1742 PolarHBondContact O-N 3.18Å; L1739-T1806 HydrophobicContact CD2-CG2 4.3Å |
| 1740 | K | 65.3 | Low | 81 | Confident | 89.8 Ų | 89.8 | 49.5 Ų | 49.5 | 39% | 0.39 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -83.3 | 13.7 | -176 | -88.8 | -178.4 | 172.3 | -171.8 | 0 | 112.2 | L1581 D1585 R1736 S1738 E1742 Y1743 I1745 T1806 C1809 | L1581-K1740 HydrophobicContact CD2-CD 4.43Å; D1585-K1740 IonicContact OD1-NZ 2.73Å; D1585-K1740 PolarHBondContact OD1-NZ 3.27Å; D1585-K1740 IonicContact OD2-NZ 2.84Å; R1736-K1740 WeakPolarHBondContact O-CB 3.46Å; R1736-K1740 PolarHBondContact O-N 3.09Å; R1736-K1740 VanDerWaalsContact O-N 3.11Å; S1738-K1740 PolarHBondContact O-N 3.38Å; K1740-E1742 HydrophobicContact CB-CG 4.29Å; K1740-E1742 WeakPolarHBondContact CE-OE1 3.39Å; K1740-E1742 WeakPolarHBondContact CE-OE2 3.46Å; K1740-E1742 HydrophobicContact CG-CB 4.24Å; K1740-E1742 HydrophobicContact CG-CG 3.74Å; K1740-E1742 WeakPolarHBondContact CG-OE1 3.05Å; K1740-E1742 IonicContact NZ-OE1 3.8Å; K1740-E1742 PolarHBondContact O-N 3.22Å; K1740-Y1743 HydrophobicContact CB-CD2 4.24Å; K1740-Y1743 HydrophobicContact CD-CD2 4.05Å; K1740-Y1743 HydrophobicContact CD-CE2 4.15Å; K1740-Y1743 VanDerWaalsContact O-CD2 3.25Å; K1740-Y1743 WeakPolarHBondContact O-CD2 3.15Å; K1740-Y1743 WeakPolarHBondContact O-CE2 3.22Å; K1740-I1745 HydrophobicContact CB-CD1 3.88Å; K1740-I1745 HydrophobicContact CD-CD1 3.83Å; K1740-I1745 HydrophobicContact CG-CD1 4.23Å; K1740-T1806 HydrophobicContact CG-CG2 4.34Å; K1740-C1809 WeakPolarHBondContact CE-SG 3.06Å |
| 1741 | A | 58 | Low | 80.8 | Confident | 69.8 Ų | 69.8 | 50.3 Ų | 50.3 | 58% | 0.577 | 25% | 0.249 | S | C | * | . | trans | -28 | 1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1737 L1739 Y1743 | V1737-A1741 WeakPolarHBondContact O-CA 3.33Å; V1737-A1741 PolarHBondContact O-N 3.07Å; V1737-A1741 VanDerWaalsContact O-N 3.16Å; L1739-A1741 VanDerWaalsContact C-N 3.33Å; L1739-A1741 PolarHBondContact O-N 3.05Å; A1741-Y1743 PolarHBondContact O-N 3Å | ||
| 1742 | E | 58.7 | Low | 80.9 | Confident | 89.2 Ų | 89.2 | 49.8 Ų | 49.8 | 42% | 0.417 | 25% | 0.245 | S | C | . | . | trans | -81.9 | 74.6 | -177.9 | -69 | 179.2 | -173.1 | 0 | 0 | 110.8 | R1588 L1739 K1740 D1744 I1745 R1746 | R1588-E1742 IonicContact CZ-OE1 3.37Å; R1588-E1742 IonicContact CZ-OE2 3.97Å; R1588-E1742 IonicContact NH2-OE1 3.32Å; R1588-E1742 PolarHBondContact NH2-OE1 3.37Å; R1588-E1742 IonicContact NH2-OE2 3.64Å; R1588-E1742 PolarHBondContact NH2-OE2 3.11Å; L1739-E1742 PolarHBondContact O-N 3.18Å; K1740-E1742 HydrophobicContact CB-CG 4.29Å; K1740-E1742 WeakPolarHBondContact CE-OE1 3.39Å; K1740-E1742 WeakPolarHBondContact CE-OE2 3.46Å; K1740-E1742 HydrophobicContact CG-CB 4.24Å; K1740-E1742 HydrophobicContact CG-CG 3.74Å; K1740-E1742 WeakPolarHBondContact CG-OE1 3.05Å; K1740-E1742 IonicContact NZ-OE1 3.8Å; K1740-E1742 PolarHBondContact O-N 3.22Å; E1742-D1744 VanDerWaalsContact C-N 3.25Å; E1742-D1744 PolarHBondContact O-N 3.24Å; E1742-I1745 HydrophobicContact CB-CB 4.47Å; E1742-I1745 HydrophobicContact CB-CD1 3.56Å; E1742-I1745 HydrophobicContact CB-CG1 4.17Å; E1742-I1745 VanDerWaalsContact CD-CD1 3.45Å; E1742-I1745 HydrophobicContact CG-CD1 4Å; E1742-I1745 PolarHBondContact O-N 3.12Å; E1742-I1745 WeakPolarHBondContact OE2-CD1 3.48Å; E1742-R1746 PolarHBondContact O-N 3.12Å | ||
| 1743 | Y | 61.5 | Low | 81 | Confident | 159 Ų | 159 | 49.4 Ų | 49.4 | 62% | 0.624 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -46.4 | -27.4 | 177 | -71.3 | -80.3 | 0 | 0 | 0 | 114.2 | R1608 K1740 A1741 I1745 R1746 S1747 | R1608-Y1743 PolarHBondContact NH1-O 2.89Å; R1608-Y1743 VanDerWaalsContact NH1-O 3.14Å; K1740-Y1743 HydrophobicContact CB-CD2 4.24Å; K1740-Y1743 HydrophobicContact CD-CD2 4.05Å; K1740-Y1743 HydrophobicContact CD-CE2 4.15Å; K1740-Y1743 VanDerWaalsContact O-CD2 3.25Å; K1740-Y1743 WeakPolarHBondContact O-CD2 3.15Å; K1740-Y1743 WeakPolarHBondContact O-CE2 3.22Å; A1741-Y1743 PolarHBondContact O-N 3Å; Y1743-I1745 VanDerWaalsContact C-N 3.29Å; Y1743-I1745 PolarHBondContact O-N 3.07Å; Y1743-I1745 VanDerWaalsContact O-N 3.11Å; Y1743-R1746 VanDerWaalsContact O-CB 3.31Å; Y1743-R1746 WeakPolarHBondContact O-CB 3.4Å; Y1743-R1746 PolarHBondContact O-N 3.17Å; Y1743-S1747 PolarHBondContact O-N 3.27Å |
| 1744 | D | 68 | Low | 81.1 | Confident | 66.2 Ų | 66.2 | 52.6 Ų | 52.6 | 35% | 0.354 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -45.5 | -24.2 | -178.1 | -76.1 | -23.9 | 0 | 0 | 0 | 114 | L1584 R1608 E1742 R1746 S1747 V1748 | L1584-D1744 HydrophobicContact CD2-CB 4.42Å; R1608-D1744 IonicContact CZ-OD1 2.63Å; R1608-D1744 IonicContact CZ-OD2 3.58Å; R1608-D1744 VanDerWaalsContact CZ-OD2 3.3Å; R1608-D1744 IonicContact NH1-OD1 2.84Å; R1608-D1744 PolarHBondContact NH1-OD1 3.34Å; R1608-D1744 VanDerWaalsContact NH1-OD1 3.15Å; R1608-D1744 IonicContact NH1-OD2 3.51Å; R1608-D1744 PolarHBondContact NH1-OD2 3.26Å; R1608-D1744 IonicContact NH2-OD2 2.76Å; R1608-D1744 PolarHBondContact NH2-OD2 3.11Å; R1608-D1744 VanDerWaalsContact NH2-OD2 3.07Å; E1742-D1744 VanDerWaalsContact C-N 3.25Å; E1742-D1744 PolarHBondContact O-N 3.24Å; D1744-R1746 VanDerWaalsContact C-N 3.32Å; D1744-R1746 PolarHBondContact O-N 2.95Å; D1744-S1747 PolarHBondContact O-N 3.19Å; D1744-S1747 PolarHBondContact O-OG 3.18Å; D1744-V1748 PolarHBondContact O-N 3.01Å |
| 1745 | I | 81.5 | Confident | 81.3 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -77.9 | -22.1 | -178.3 | -44.1 | -178 | 0 | 0 | 0 | 111.1 | F1580 L1581 L1584 L1733 V1737 K1740 E1742 Y1743 S1747 V1748 W1749 | F1580-I1745 HydrophobicContact CE1-CD1 4.38Å; F1580-I1745 HydrophobicContact CE1-CG1 4.5Å; F1580-I1745 HydrophobicContact CE1-CG2 4.13Å; F1580-I1745 HydrophobicContact CZ-CG2 4.24Å; L1581-I1745 HydrophobicContact CD2-CD1 4.13Å; L1584-I1745 HydrophobicContact CD1-CD1 4.21Å; L1584-I1745 HydrophobicContact CD1-CG1 3.73Å; L1733-I1745 HydrophobicContact CD1-CG2 4.17Å; V1737-I1745 HydrophobicContact CB-CG2 4.34Å; V1737-I1745 HydrophobicContact CG2-CB 4.25Å; V1737-I1745 HydrophobicContact CG2-CG2 3.59Å; V1737-I1745 VanDerWaalsContact CG2-CG2 3.48Å; K1740-I1745 HydrophobicContact CB-CD1 3.88Å; K1740-I1745 HydrophobicContact CD-CD1 3.83Å; K1740-I1745 HydrophobicContact CG-CD1 4.23Å; E1742-I1745 HydrophobicContact CB-CB 4.47Å; E1742-I1745 HydrophobicContact CB-CD1 3.56Å; E1742-I1745 HydrophobicContact CB-CG1 4.17Å; E1742-I1745 VanDerWaalsContact CD-CD1 3.45Å; E1742-I1745 HydrophobicContact CG-CD1 4Å; E1742-I1745 PolarHBondContact O-N 3.12Å; E1742-I1745 WeakPolarHBondContact OE2-CD1 3.48Å; Y1743-I1745 VanDerWaalsContact C-N 3.29Å; Y1743-I1745 PolarHBondContact O-N 3.07Å; Y1743-I1745 VanDerWaalsContact O-N 3.11Å; I1745-S1747 VanDerWaalsContact C-N 3.3Å; I1745-S1747 PolarHBondContact O-N 3.25Å; I1745-V1748 WeakPolarHBondContact O-CB 3.33Å; I1745-V1748 PolarHBondContact O-N 3.13Å; I1745-V1748 VanDerWaalsContact O-N 3.11Å; I1745-W1749 PolarHBondContact O-N 2.91Å; I1745-W1749 VanDerWaalsContact O-N 3.08Å |
| 1746 | R | 84.7 | Confident | 81.6 | Confident | 83.2 Ų | 83.2 | 46.8 Ų | 46.8 | 31% | 0.314 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 176.4 | 179 | 176.8 | -171 | 141.4 | 6.7 | 111.7 | V1737 E1742 Y1743 D1744 V1748 W1749 E1750 L1813 D1816 | V1737-R1746 HydrophobicContact CG1-CB 4.29Å; E1742-R1746 PolarHBondContact O-N 3.12Å; Y1743-R1746 VanDerWaalsContact O-CB 3.31Å; Y1743-R1746 WeakPolarHBondContact O-CB 3.4Å; Y1743-R1746 PolarHBondContact O-N 3.17Å; D1744-R1746 VanDerWaalsContact C-N 3.32Å; D1744-R1746 PolarHBondContact O-N 2.95Å; R1746-V1748 VanDerWaalsContact C-N 3.28Å; R1746-V1748 PolarHBondContact O-N 3.07Å; R1746-W1749 WeakPolarHBondContact O-CB 3.29Å; R1746-W1749 PolarHBondContact O-N 2.89Å; R1746-W1749 VanDerWaalsContact O-N 3.14Å; R1746-E1750 VanDerWaalsContact CD-OE1 3.24Å; R1746-E1750 WeakPolarHBondContact CD-OE1 3.45Å; R1746-E1750 HydrophobicContact CG-CG 4.42Å; R1746-E1750 WeakPolarHBondContact CG-OE1 3.28Å; R1746-E1750 IonicContact CZ-OE1 3.36Å; R1746-E1750 IonicContact NE-OE1 3.6Å; R1746-E1750 PolarHBondContact NE-OE1 3.11Å; R1746-E1750 IonicContact NH2-OE1 3.09Å; R1746-E1750 PolarHBondContact NH2-OE1 3.31Å; R1746-E1750 WeakPolarHBondContact O-CG 3.33Å; R1746-E1750 PolarHBondContact O-N 3.13Å; R1746-L1813 HydrophobicContact CG-CD1 4.03Å; R1746-D1816 IonicContact CZ-OD2 3.18Å; R1746-D1816 IonicContact NH2-OD2 3.28Å; R1746-D1816 PolarHBondContact NH2-OD2 3.2Å |
| 1747 | S | 85.3 | Confident | 81.9 | Confident | 33.2 Ų | 33.2 | 44.1 Ų | 44.1 | 23% | 0.232 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -36.5 | 177.8 | 65.6 | 0 | 0 | 0 | 0 | 112.2 | T1609 Y1743 D1744 I1745 E1750 T1751 | T1609-S1747 WeakPolarHBondContact CG2-OG 3.31Å; Y1743-S1747 PolarHBondContact O-N 3.27Å; D1744-S1747 PolarHBondContact O-N 3.19Å; D1744-S1747 PolarHBondContact O-OG 3.18Å; I1745-S1747 VanDerWaalsContact C-N 3.3Å; I1745-S1747 PolarHBondContact O-N 3.25Å; S1747-E1750 PolarHBondContact O-N 3.37Å; S1747-T1751 VanDerWaalsContact O-CB 3.31Å; S1747-T1751 WeakPolarHBondContact O-CB 3.29Å; S1747-T1751 PolarHBondContact O-N 3.03Å; S1747-T1751 PolarHBondContact O-OG1 3.1Å |
| 1748 | V | 86.8 | Confident | 82.2 | Confident | 0.6 Ų | 0.6 | 45.1 Ų | 45.1 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.1 | -42.2 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | F1580 H1649 L1651 D1744 I1745 R1746 E1750 T1751 V1752 | F1580-V1748 HydrophobicContact CE2-CB 4.29Å; F1580-V1748 HydrophobicContact CE2-CG1 3.78Å; F1580-V1748 HydrophobicContact CE2-CG2 4.06Å; F1580-V1748 HydrophobicContact CZ-CB 4.04Å; F1580-V1748 HydrophobicContact CZ-CG1 3.71Å; F1580-V1748 HydrophobicContact CZ-CG2 4.03Å; H1649-V1748 VanDerWaalsContact CE1-CG1 3.44Å; H1649-V1748 WeakPolarHBondContact CE1-CG1 3.5Å; L1651-V1748 HydrophobicContact CD2-CG1 4.23Å; D1744-V1748 PolarHBondContact O-N 3.01Å; I1745-V1748 WeakPolarHBondContact O-CB 3.33Å; I1745-V1748 PolarHBondContact O-N 3.13Å; I1745-V1748 VanDerWaalsContact O-N 3.11Å; R1746-V1748 VanDerWaalsContact C-N 3.28Å; R1746-V1748 PolarHBondContact O-N 3.07Å; V1748-E1750 PolarHBondContact O-N 3.05Å; V1748-T1751 CarbonylContact O-C 3.38Å; V1748-T1751 WeakPolarHBondContact O-CB 3.3Å; V1748-T1751 PolarHBondContact O-N 3.13Å; V1748-V1752 HydrophobicContact CG1-CG2 4.3Å; V1748-V1752 VanDerWaalsContact O-CG2 3.28Å; V1748-V1752 WeakPolarHBondContact O-CG2 3.36Å; V1748-V1752 PolarHBondContact O-N 3.1Å |
| 1749 | W | 90.6 | Very high | 82.8 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.4 | -43.8 | 175.7 | 175.3 | -100.7 | 0 | 0 | 0 | 112.5 | L1730 L1733 F1734 V1737 I1745 R1746 T1751 V1752 T1753 L1777 L1781 T1817 | L1730-W1749 HydrophobicContact CD2-CZ3 4.35Å; L1733-W1749 HydrophobicContact CB-CE3 4.3Å; L1733-W1749 HydrophobicContact CB-CZ3 4.15Å; L1733-W1749 HydrophobicContact CD2-CE3 3.6Å; L1733-W1749 HydrophobicContact CD2-CZ3 3.98Å; L1733-W1749 HydrophobicContact CG-CE3 3.71Å; L1733-W1749 HydrophobicContact CG-CZ3 4.06Å; F1734-W1749 HydrophobicContact CB-CH2 3.83Å; F1734-W1749 HydrophobicContact CB-CZ2 4.37Å; F1734-W1749 HydrophobicContact CB-CZ3 4.02Å; F1734-W1749 AromaticContact CD2-CE2 3.94Å; F1734-W1749 AromaticContact CD2-CH2 3.87Å; F1734-W1749 HydrophobicContact CD2-CH2 3.92Å; F1734-W1749 AromaticContact CD2-CZ2 3.59Å; F1734-W1749 HydrophobicContact CD2-CZ2 3.59Å; F1734-W1749 HydrophobicContact CE2-CZ2 4.37Å; F1734-W1749 HydrophobicContact CG-CH2 4.34Å; F1734-W1749 HydrophobicContact CG-CZ2 4.4Å; V1737-W1749 HydrophobicContact CG1-CB 4.43Å; V1737-W1749 HydrophobicContact CG2-CB 3.95Å; V1737-W1749 HydrophobicContact CG2-CG 4.37Å; I1745-W1749 PolarHBondContact O-N 2.91Å; I1745-W1749 VanDerWaalsContact O-N 3.08Å; R1746-W1749 WeakPolarHBondContact O-CB 3.29Å; R1746-W1749 PolarHBondContact O-N 2.89Å; R1746-W1749 VanDerWaalsContact O-N 3.14Å; W1749-T1751 VanDerWaalsContact C-N 3.33Å; W1749-T1751 PolarHBondContact O-N 3.36Å; W1749-V1752 PolarHBondContact O-N 3.21Å; W1749-T1753 WeakPolarHBondContact O-CB 3.43Å; W1749-T1753 WeakPolarHBondContact O-CG2 3.43Å; W1749-T1753 PolarHBondContact O-N 3.18Å; W1749-T1753 PolarHBondContact O-OG1 3.21Å; W1749-L1777 HydrophobicContact CH2-CD1 3.39Å; W1749-L1777 HydrophobicContact CZ2-CD1 3.35Å; W1749-L1777 HydrophobicContact CZ3-CD1 4.47Å; W1749-L1781 HydrophobicContact CZ2-CD2 4.37Å; W1749-T1817 VanDerWaalsContact CD1-CG2 3.41Å |
| 1750 | E | 90 | Very high | 83.4 | Confident | 73.6 Ų | 73.6 | 38.5 Ų | 38.5 | 34% | 0.344 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.8 | -41.5 | 174.5 | -70.7 | 170.3 | -172.1 | 0 | 0 | 110.9 | R1746 S1747 V1748 T1753 N1754 | R1746-E1750 VanDerWaalsContact CD-OE1 3.24Å; R1746-E1750 WeakPolarHBondContact CD-OE1 3.45Å; R1746-E1750 HydrophobicContact CG-CG 4.42Å; R1746-E1750 WeakPolarHBondContact CG-OE1 3.28Å; R1746-E1750 IonicContact CZ-OE1 3.36Å; R1746-E1750 IonicContact NE-OE1 3.6Å; R1746-E1750 PolarHBondContact NE-OE1 3.11Å; R1746-E1750 IonicContact NH2-OE1 3.09Å; R1746-E1750 PolarHBondContact NH2-OE1 3.31Å; R1746-E1750 WeakPolarHBondContact O-CG 3.33Å; R1746-E1750 PolarHBondContact O-N 3.13Å; S1747-E1750 PolarHBondContact O-N 3.37Å; V1748-E1750 PolarHBondContact O-N 3.05Å; E1750-T1753 PolarHBondContact O-N 3.03Å; E1750-T1753 PolarHBondContact O-OG1 2.83Å; E1750-N1754 WeakPolarHBondContact O-CB 3.24Å; E1750-N1754 VanDerWaalsContact O-CG 3.24Å; E1750-N1754 PolarHBondContact O-N 3.19Å; E1750-N1754 PolarHBondContact O-ND2 3.07Å; E1750-N1754 VanDerWaalsContact O-ND2 3.14Å |
| 1751 | T | 90.4 | Very high | 84.5 | Confident | 18.4 Ų | 18.4 | 34.8 Ų | 34.8 | 11% | 0.113 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -47.6 | 174.6 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | T1609 H1649 S1747 V1748 W1749 T1753 N1754 D1755 | T1609-T1751 WeakPolarHBondContact CG2-OG1 3.3Å; H1649-T1751 HydrophobicContact CB-CG2 4Å; S1747-T1751 VanDerWaalsContact O-CB 3.31Å; S1747-T1751 WeakPolarHBondContact O-CB 3.29Å; S1747-T1751 PolarHBondContact O-N 3.03Å; S1747-T1751 PolarHBondContact O-OG1 3.1Å; V1748-T1751 CarbonylContact O-C 3.38Å; V1748-T1751 WeakPolarHBondContact O-CB 3.3Å; V1748-T1751 PolarHBondContact O-N 3.13Å; W1749-T1751 VanDerWaalsContact C-N 3.33Å; W1749-T1751 PolarHBondContact O-N 3.36Å; T1751-T1753 VanDerWaalsContact C-N 3.33Å; T1751-T1753 PolarHBondContact O-N 3.19Å; T1751-N1754 PolarHBondContact O-N 2.96Å; T1751-D1755 WeakPolarHBondContact O-CB 3.39Å; T1751-D1755 PolarHBondContact O-N 2.92Å |
| 1752 | V | 92.8 | Very high | 85.8 | Confident | 1.2 Ų | 1.2 | 34.1 Ų | 34.1 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.8 | -42.4 | 177 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | L1651 L1733 V1748 W1749 N1754 D1755 L1756 | L1651-V1752 HydrophobicContact CD2-CG2 4.35Å; L1733-V1752 HydrophobicContact CD2-CG1 4.5Å; L1733-V1752 HydrophobicContact CD2-CG2 4.24Å; V1748-V1752 HydrophobicContact CG1-CG2 4.3Å; V1748-V1752 VanDerWaalsContact O-CG2 3.28Å; V1748-V1752 WeakPolarHBondContact O-CG2 3.36Å; V1748-V1752 PolarHBondContact O-N 3.1Å; W1749-V1752 PolarHBondContact O-N 3.21Å; V1752-N1754 PolarHBondContact O-N 3.3Å; V1752-D1755 PolarHBondContact O-N 3.17Å; V1752-L1756 HydrophobicContact CG1-CD1 4.14Å; V1752-L1756 HydrophobicContact CG1-CG 4.41Å; V1752-L1756 WeakPolarHBondContact O-CB 3.21Å; V1752-L1756 VanDerWaalsContact O-CG 3.27Å; V1752-L1756 WeakPolarHBondContact O-CG 3.32Å; V1752-L1756 PolarHBondContact O-N 3.05Å |
| 1753 | T | 93 | Very high | 87.2 | Confident | 2.6 Ų | 2.6 | 29.9 Ų | 29.9 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.8 | -44.1 | 177.3 | -43 | 0 | 0 | 0 | 0 | 111.6 | W1749 E1750 T1751 L1756 L1757 L1777 | W1749-T1753 WeakPolarHBondContact O-CB 3.43Å; W1749-T1753 WeakPolarHBondContact O-CG2 3.43Å; W1749-T1753 PolarHBondContact O-N 3.18Å; W1749-T1753 PolarHBondContact O-OG1 3.21Å; E1750-T1753 PolarHBondContact O-N 3.03Å; E1750-T1753 PolarHBondContact O-OG1 2.83Å; T1751-T1753 VanDerWaalsContact C-N 3.33Å; T1751-T1753 PolarHBondContact O-N 3.19Å; T1753-L1756 PolarHBondContact O-N 3.26Å; T1753-L1757 HydrophobicContact CG2-CD1 4.43Å; T1753-L1757 WeakPolarHBondContact O-CG 3.35Å; T1753-L1757 PolarHBondContact O-N 3.14Å; T1753-L1757 VanDerWaalsContact O-N 3.1Å; T1753-L1777 HydrophobicContact CG2-CD2 3.92Å |
| 1754 | N | 92.3 | Very high | 88.4 | Confident | 68.8 Ų | 68.8 | 22.9 Ų | 22.9 | 37% | 0.368 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -68.6 | -36.7 | 177.6 | -70.8 | -27.1 | 0 | 0 | 0 | 112.4 | E1750 T1751 V1752 L1757 S1758 S1820 | E1750-N1754 WeakPolarHBondContact O-CB 3.24Å; E1750-N1754 VanDerWaalsContact O-CG 3.24Å; E1750-N1754 PolarHBondContact O-N 3.19Å; E1750-N1754 PolarHBondContact O-ND2 3.07Å; E1750-N1754 VanDerWaalsContact O-ND2 3.14Å; T1751-N1754 PolarHBondContact O-N 2.96Å; V1752-N1754 PolarHBondContact O-N 3.3Å; N1754-L1757 PolarHBondContact O-N 3.39Å; N1754-S1758 WeakPolarHBondContact O-CB 3.31Å; N1754-S1758 PolarHBondContact O-N 3.02Å; N1754-S1758 PolarHBondContact O-OG 3.02Å; N1754-S1820 PolarHBondContact OD1-OG 3.37Å |
| 1755 | D | 93.5 | Very high | 89.3 | Confident | 0.4 Ų | 0.4 | 20.2 Ų | 20.2 | 0% | 0.002 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.9 | -48.8 | 174.1 | -73.6 | -12.2 | 0 | 0 | 0 | 110.6 | K1611 I1648 H1649 S1652 T1751 V1752 L1757 S1758 V1759 | K1611-D1755 WeakPolarHBondContact CE-OD1 3.36Å; K1611-D1755 IonicContact NZ-OD1 2.98Å; K1611-D1755 PolarHBondContact NZ-OD1 3.13Å; I1648-D1755 HydrophobicContact CB-CB 4.2Å; I1648-D1755 HydrophobicContact CG2-CB 4.03Å; H1649-D1755 VanDerWaalsContact CB-OD2 3.3Å; H1649-D1755 WeakPolarHBondContact CB-OD2 3.39Å; H1649-D1755 PolarHBondContact N-OD2 3.22Å; S1652-D1755 WeakPolarHBondContact CB-OD2 3.38Å; S1652-D1755 PolarHBondContact OG-OD2 3.38Å; T1751-D1755 WeakPolarHBondContact O-CB 3.39Å; T1751-D1755 PolarHBondContact O-N 2.92Å; V1752-D1755 PolarHBondContact O-N 3.17Å; D1755-L1757 VanDerWaalsContact C-N 3.32Å; D1755-L1757 PolarHBondContact O-N 3.18Å; D1755-S1758 WeakPolarHBondContact CA-OG 3.45Å; D1755-S1758 PolarHBondContact O-N 3.11Å; D1755-S1758 VanDerWaalsContact O-N 3.13Å; D1755-S1758 PolarHBondContact O-OG 2.82Å; D1755-V1759 WeakPolarHBondContact O-CB 3.27Å; D1755-V1759 VanDerWaalsContact O-CG2 3.25Å; D1755-V1759 WeakPolarHBondContact O-CG2 3.41Å; D1755-V1759 PolarHBondContact O-N 3.11Å |
| 1756 | L | 94.2 | Very high | 89.5 | Confident | 1.6 Ų | 1.6 | 20.6 Ų | 20.6 | 1% | 0.008 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.7 | -40.7 | 178.9 | -69.6 | 174.8 | 0 | 0 | 0 | 112.2 | L1656 L1730 V1752 T1753 T1760 L1773 L1774 | L1656-L1756 HydrophobicContact CD2-CD2 4.03Å; L1656-L1756 HydrophobicContact CG-CD2 4.29Å; L1730-L1756 HydrophobicContact CD2-CD1 4.42Å; V1752-L1756 HydrophobicContact CG1-CD1 4.14Å; V1752-L1756 HydrophobicContact CG1-CG 4.41Å; V1752-L1756 WeakPolarHBondContact O-CB 3.21Å; V1752-L1756 VanDerWaalsContact O-CG 3.27Å; V1752-L1756 WeakPolarHBondContact O-CG 3.32Å; V1752-L1756 PolarHBondContact O-N 3.05Å; T1753-L1756 PolarHBondContact O-N 3.26Å; L1756-T1760 VanDerWaalsContact O-CB 3.3Å; L1756-T1760 WeakPolarHBondContact O-CB 3.37Å; L1756-T1760 PolarHBondContact O-N 3.1Å; L1756-T1760 PolarHBondContact O-OG1 3.25Å; L1756-L1773 HydrophobicContact CD1-CB 4Å; L1756-L1773 HydrophobicContact CD2-CB 3.9Å; L1756-L1773 HydrophobicContact CD2-CD1 3.73Å; L1756-L1773 HydrophobicContact CD2-CG 4.43Å; L1756-L1773 HydrophobicContact CG-CB 4.5Å; L1756-L1774 HydrophobicContact CB-CD2 3.51Å; L1756-L1774 VanDerWaalsContact CB-CD2 3.48Å; L1756-L1774 HydrophobicContact CB-CG 4.07Å; L1756-L1774 HydrophobicContact CD1-CD2 4.39Å |
| 1757 | L | 92.3 | Very high | 89.8 | Confident | 11 Ų | 11 | 16.7 Ų | 16.7 | 6% | 0.058 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59 | -50.6 | 171.5 | -78.7 | 165.3 | 0 | 0 | 0 | 111.1 | T1753 N1754 D1755 V1759 T1760 F1761 L1774 L1821 L1825 | T1753-L1757 HydrophobicContact CG2-CD1 4.43Å; T1753-L1757 WeakPolarHBondContact O-CG 3.35Å; T1753-L1757 PolarHBondContact O-N 3.14Å; T1753-L1757 VanDerWaalsContact O-N 3.1Å; N1754-L1757 PolarHBondContact O-N 3.39Å; D1755-L1757 VanDerWaalsContact C-N 3.32Å; D1755-L1757 PolarHBondContact O-N 3.18Å; L1757-V1759 PolarHBondContact O-N 3.28Å; L1757-T1760 PolarHBondContact O-N 3.22Å; L1757-F1761 HydrophobicContact CD2-CE2 4.37Å; L1757-F1761 VanDerWaalsContact O-CD2 3.27Å; L1757-F1761 WeakPolarHBondContact O-CD2 3.36Å; L1757-F1761 PolarHBondContact O-N 3.21Å; L1757-L1774 HydrophobicContact CD2-CD1 4.06Å; L1757-L1774 HydrophobicContact CD2-CD2 4.41Å; L1757-L1774 HydrophobicContact CG-CD1 4.5Å; L1757-L1774 HydrophobicContact CG-CD2 4.22Å; L1757-L1821 HydrophobicContact CD2-CD1 4.08Å; L1757-L1821 HydrophobicContact CG-CD1 4.46Å; L1757-L1825 HydrophobicContact CD2-CD2 4.27Å; L1757-L1825 HydrophobicContact CD2-CG 4.14Å |
| 1758 | S | 90.5 | Very high | 90.1 | Very high | 31.8 Ų | 31.8 | 15.7 Ų | 15.7 | 22% | 0.222 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.1 | -45.8 | -178.1 | -41.2 | 0 | 0 | 0 | 0 | 112 | N1754 D1755 T1760 F1761 H1762 | N1754-S1758 WeakPolarHBondContact O-CB 3.31Å; N1754-S1758 PolarHBondContact O-N 3.02Å; N1754-S1758 PolarHBondContact O-OG 3.02Å; D1755-S1758 WeakPolarHBondContact CA-OG 3.45Å; D1755-S1758 PolarHBondContact O-N 3.11Å; D1755-S1758 VanDerWaalsContact O-N 3.13Å; D1755-S1758 PolarHBondContact O-OG 2.82Å; S1758-T1760 VanDerWaalsContact C-N 3.32Å; S1758-T1760 PolarHBondContact O-N 3.16Å; S1758-F1761 PolarHBondContact O-N 3.1Å; S1758-H1762 VanDerWaalsContact O-CB 3.27Å; S1758-H1762 WeakPolarHBondContact O-CB 3.3Å; S1758-H1762 PolarHBondContact O-CD2 3.05Å; S1758-H1762 VanDerWaalsContact O-CD2 3.25Å; S1758-H1762 PolarHBondContact O-N 3.16Å |
| 1759 | V | 91.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.6 | -41.2 | 179 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | L1615 L1646 I1648 L1656 D1755 L1757 F1761 A1763 W1767 | L1615-V1759 HydrophobicContact CD1-CG1 4.4Å; L1615-V1759 HydrophobicContact CD1-CG2 3.65Å; L1615-V1759 VanDerWaalsContact CD1-CG2 3.49Å; L1646-V1759 HydrophobicContact CD2-CB 4.31Å; L1646-V1759 HydrophobicContact CD2-CG2 3.62Å; L1646-V1759 VanDerWaalsContact CD2-CG2 3.43Å; I1648-V1759 HydrophobicContact CG2-CG2 3.78Å; L1656-V1759 HydrophobicContact CD1-CG1 4.09Å; L1656-V1759 HydrophobicContact CD1-CG2 4.21Å; L1656-V1759 HydrophobicContact CD2-CG1 4.45Å; D1755-V1759 WeakPolarHBondContact O-CB 3.27Å; D1755-V1759 VanDerWaalsContact O-CG2 3.25Å; D1755-V1759 WeakPolarHBondContact O-CG2 3.41Å; D1755-V1759 PolarHBondContact O-N 3.11Å; L1757-V1759 PolarHBondContact O-N 3.28Å; V1759-F1761 VanDerWaalsContact C-N 3.28Å; V1759-F1761 PolarHBondContact O-N 3.21Å; V1759-A1763 HydrophobicContact CG1-CB 4.36Å; V1759-A1763 CarbonylContact O-C 3.57Å; V1759-A1763 VanDerWaalsContact O-C 3.27Å; V1759-A1763 WeakPolarHBondContact O-CA 3.27Å; V1759-A1763 PolarHBondContact O-N 3.11Å; V1759-W1767 HydrophobicContact CG1-CB 3.4Å; V1759-W1767 VanDerWaalsContact CG1-CB 3.42Å; V1759-W1767 HydrophobicContact CG1-CG 4.04Å |
| 1760 | T | 90.5 | Very high | 90.6 | Very high | 5.8 Ų | 5.8 | 15.7 Ų | 15.7 | 4% | 0.036 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.2 | -37.1 | -179.1 | -61.1 | 0 | 0 | 0 | 0 | 112.5 | L1756 L1757 S1758 P1764 S1770 A1771 L1774 L2079 L2085 | L1756-T1760 VanDerWaalsContact O-CB 3.3Å; L1756-T1760 WeakPolarHBondContact O-CB 3.37Å; L1756-T1760 PolarHBondContact O-N 3.1Å; L1756-T1760 PolarHBondContact O-OG1 3.25Å; L1757-T1760 PolarHBondContact O-N 3.22Å; S1758-T1760 VanDerWaalsContact C-N 3.32Å; S1758-T1760 PolarHBondContact O-N 3.16Å; T1760-P1764 WeakPolarHBondContact O-CB 3.37Å; T1760-S1770 WeakPolarHBondContact CA-OG 3.31Å; T1760-S1770 WeakPolarHBondContact CB-OG 3.28Å; T1760-S1770 PolarHBondContact N-OG 3.31Å; T1760-S1770 VanDerWaalsContact OG1-CB 3.23Å; T1760-S1770 WeakPolarHBondContact OG1-CB 3.41Å; T1760-S1770 PolarHBondContact OG1-OG 3.11Å; T1760-A1771 HydrophobicContact CG2-CB 4.15Å; T1760-L1774 HydrophobicContact CG2-CD1 4.04Å; T1760-L1774 VanDerWaalsContact OG1-CD1 3.27Å; T1760-L1774 WeakPolarHBondContact OG1-CD1 3.26Å; T1760-L2079 HydrophobicContact CG2-CD1 4.11Å; T1760-L2079 HydrophobicContact CG2-CD2 3.9Å; T1760-L2079 HydrophobicContact CG2-CG 4.44Å; T1760-L2079 VanDerWaalsContact O-CD1 3.29Å; T1760-L2079 WeakPolarHBondContact O-CD1 3.34Å; T1760-L2085 HydrophobicContact CG2-CD2 3.63Å |
| 1761 | F | 87 | Confident | 90.6 | Very high | 11.2 Ų | 11.2 | 12.7 Ų | 12.7 | 5% | 0.049 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -94.6 | -35.9 | -178.8 | -68.4 | -67.5 | 0 | 0 | 0 | 113.4 | L1757 S1758 V1759 P1764 L1825 Y1832 L1834 H2072 L2079 L2085 | L1757-F1761 HydrophobicContact CD2-CE2 4.37Å; L1757-F1761 VanDerWaalsContact O-CD2 3.27Å; L1757-F1761 WeakPolarHBondContact O-CD2 3.36Å; L1757-F1761 PolarHBondContact O-N 3.21Å; S1758-F1761 PolarHBondContact O-N 3.1Å; V1759-F1761 VanDerWaalsContact C-N 3.28Å; V1759-F1761 PolarHBondContact O-N 3.21Å; F1761-P1764 WeakPolarHBondContact O-CD 3.47Å; F1761-L1825 HydrophobicContact CE2-CD2 4.34Å; F1761-L1825 HydrophobicContact CZ-CD2 4.21Å; F1761-Y1832 HydrophobicContact CB-CE2 4.07Å; F1761-Y1832 HydrophobicContact CD1-CD2 4.38Å; F1761-Y1832 HydrophobicContact CD1-CE2 4.49Å; F1761-Y1832 WeakPolarHBondContact O-CE2 3.17Å; F1761-Y1832 PolarHBondContact O-OH 3.45Å; F1761-L1834 HydrophobicContact CD1-CD1 4.47Å; F1761-L1834 HydrophobicContact CE1-CD1 4.15Å; F1761-H2072 PolarHBondContact O-CE1 2.98Å; F1761-H2072 VanDerWaalsContact O-CE1 3.27Å; F1761-L2079 HydrophobicContact CD1-CD1 4.42Å; F1761-L2079 HydrophobicContact CD1-CD2 4.24Å; F1761-L2079 HydrophobicContact CE1-CD2 4.1Å; F1761-L2085 HydrophobicContact CE1-CD1 4.29Å; F1761-L2085 HydrophobicContact CZ-CD1 4.22Å |
| 1762 | H | 86.5 | Confident | 90.7 | Very high | 55.2 Ų | 55.2 | 12.4 Ų | 12.4 | 26% | 0.256 | 7% | 0.069 | S | C | . | . | H | α-helix | trans | -95.4 | -25.7 | -174 | -64.7 | -74.1 | 0 | 0 | 0 | 114.2 | S1617 S1618 S1619 L1646 S1758 P1764 Y1832 | S1617-H1762 CarbonylContact C-O 3.6Å; S1617-H1762 PolarHBondContact OG-O 2.81Å; S1618-H1762 WeakPolarHBondContact CA-O 3.39Å; S1618-H1762 PolarHBondContact N-O 3.07Å; S1618-H1762 PolarHBondContact OG-O 3.22Å; S1618-H1762 VanDerWaalsContact OG-O 3.13Å; S1619-H1762 PolarHBondContact N-O 3.1Å; S1619-H1762 VanDerWaalsContact N-O 3.08Å; S1619-H1762 WeakPolarHBondContact OG-CB 3.28Å; S1619-H1762 PolarHBondContact OG-ND1 3.27Å; L1646-H1762 HydrophobicContact CD2-CB 4.48Å; S1758-H1762 VanDerWaalsContact O-CB 3.27Å; S1758-H1762 WeakPolarHBondContact O-CB 3.3Å; S1758-H1762 PolarHBondContact O-CD2 3.05Å; S1758-H1762 VanDerWaalsContact O-CD2 3.25Å; S1758-H1762 PolarHBondContact O-N 3.16Å; H1762-P1764 VanDerWaalsContact C-CD 3.44Å; H1762-Y1832 PolarHBondContact ND1-OH 3.48Å |
| 1763 | A | 88.6 | Confident | 90.8 | Very high | 1.2 Ų | 1.2 | 12.4 Ų | 12.4 | 1% | 0.01 | 7% | 0.069 | C | C | . | . | trans | -130.3 | 41.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1616 S1618 V1759 I1765 E1766 W1767 | L1616-A1763 WeakPolarHBondContact O-CB 3.49Å; S1618-A1763 WeakPolarHBondContact OG-CA 3.31Å; V1759-A1763 HydrophobicContact CG1-CB 4.36Å; V1759-A1763 CarbonylContact O-C 3.57Å; V1759-A1763 VanDerWaalsContact O-C 3.27Å; V1759-A1763 WeakPolarHBondContact O-CA 3.27Å; V1759-A1763 PolarHBondContact O-N 3.11Å; A1763-I1765 VanDerWaalsContact C-N 3.26Å; A1763-I1765 PolarHBondContact O-N 3.11Å; A1763-I1765 VanDerWaalsContact O-N 3.15Å; A1763-E1766 PolarHBondContact O-N 3.32Å; A1763-W1767 PolarHBondContact O-N 3.13Å | ||
| 1764 | P | 86.9 | Confident | 90.8 | Very high | 12.2 Ų | 12.2 | 12.3 Ų | 12.3 | 8% | 0.079 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17 | -175.8 | 27 | -37.3 | 0 | 0 | 0 | 115.3 | S1618 T1760 F1761 H1762 H1935 A2075 V2076 L2079 | S1618-P1764 WeakPolarHBondContact OG-CD 3.29Å; T1760-P1764 WeakPolarHBondContact O-CB 3.37Å; F1761-P1764 WeakPolarHBondContact O-CD 3.47Å; H1762-P1764 VanDerWaalsContact C-CD 3.44Å; P1764-H1935 PolarHBondContact O-CE1 3.35Å; P1764-H1935 PolarHBondContact O-NE2 3.13Å; P1764-A2075 HydrophobicContact CB-CB 3.95Å; P1764-A2075 HydrophobicContact CG-CB 3.86Å; P1764-V2076 HydrophobicContact CG-CG2 4.02Å; P1764-L2079 HydrophobicContact CB-CD1 4.27Å |
| 1765 | I | 86.9 | Confident | 90.8 | Very high | 9 Ų | 9 | 12 Ų | 12 | 5% | 0.046 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -56.8 | -179.2 | -61 | 174.6 | 0 | 0 | 0 | 110.4 | A1763 L1867 L1870 L1871 H1935 V2068 A2071 H2072 A2075 | A1763-I1765 VanDerWaalsContact C-N 3.26Å; A1763-I1765 PolarHBondContact O-N 3.11Å; A1763-I1765 VanDerWaalsContact O-N 3.15Å; I1765-L1867 HydrophobicContact CB-CD1 4.24Å; I1765-L1867 HydrophobicContact CG1-CD1 3.96Å; I1765-L1867 HydrophobicContact CG2-CD1 3.93Å; I1765-L1870 HydrophobicContact CD1-CD2 4.04Å; I1765-L1870 HydrophobicContact CG2-CD2 4.41Å; I1765-L1871 HydrophobicContact CG2-CD2 3.65Å; I1765-L1871 HydrophobicContact CG2-CG 4.24Å; I1765-H1935 PolarHBondContact O-NE2 3.22Å; I1765-H1935 VanDerWaalsContact O-NE2 3.13Å; I1765-V2068 HydrophobicContact CD1-CG1 4.34Å; I1765-A2071 HydrophobicContact CD1-CB 4.01Å; I1765-H2072 HydrophobicContact CD1-CB 4.24Å; I1765-A2075 HydrophobicContact CG1-CB 4.21Å |
| 1766 | E | 85.3 | Confident | 90.8 | Very high | 10.6 Ų | 10.6 | 12.4 Ų | 12.4 | 5% | 0.05 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -22.7 | -176.2 | -68.9 | -176 | -157.6 | 0 | 0 | 113.7 | R1552 L1616 Q1660 A1763 P1768 H1880 L1928 A1931 | R1552-E1766 IonicContact CZ-OE2 3.36Å; R1552-E1766 VanDerWaalsContact CZ-OE2 3.3Å; R1552-E1766 IonicContact NH1-OE2 3.77Å; R1552-E1766 PolarHBondContact NH1-OE2 3.24Å; R1552-E1766 IonicContact NH2-OE2 3.73Å; R1552-E1766 PolarHBondContact NH2-OE2 2.99Å; L1616-E1766 WeakPolarHBondContact CB-OE1 3.31Å; L1616-E1766 WeakPolarHBondContact CD2-OE1 3.42Å; Q1660-E1766 PolarHBondContact NE2-O 3.17Å; Q1660-E1766 PolarHBondContact OE1-O 3.32Å; A1763-E1766 PolarHBondContact O-N 3.32Å; E1766-P1768 VanDerWaalsContact C-CD 3.45Å; E1766-P1768 WeakPolarHBondContact O-CD 3.38Å; E1766-H1880 VanDerWaalsContact CD-CE1 3.46Å; E1766-H1880 IonicContact OE1-CE1 3.59Å; E1766-H1880 PolarHBondContact OE1-CE1 3.16Å; E1766-H1880 IonicContact OE1-ND1 3.38Å; E1766-H1880 IonicContact OE1-NE2 2.71Å; E1766-H1880 IonicContact OE2-CE1 3.12Å; E1766-H1880 PolarHBondContact OE2-CE1 3.33Å; E1766-H1880 IonicContact OE2-NE2 3.46Å; E1766-H1880 PolarHBondContact OE2-NE2 3.28Å; E1766-L1928 HydrophobicContact CG-CD1 4.14Å; E1766-A1931 WeakPolarHBondContact O-CB 3.46Å |
| 1767 | W | 91.4 | Very high | 90.8 | Very high | 0.6 Ų | 0.6 | 12.4 Ų | 12.4 | 0% | 0.002 | 7% | 0.069 | C | C | . | . | trans | -127.8 | 54.3 | -171.6 | -61.9 | 97.6 | 0 | 0 | 0 | 113.9 | L1555 F1613 L1615 L1656 C1657 Q1660 V1759 A1763 A1769 S1770 L1927 | L1555-W1767 HydrophobicContact CD1-CH2 4.4Å; F1613-W1767 HydrophobicContact CE1-CH2 4.43Å; F1613-W1767 AromaticContact CE1-CZ2 3.98Å; F1613-W1767 HydrophobicContact CE1-CZ2 4.15Å; L1615-W1767 HydrophobicContact CD1-CD2 4.41Å; L1615-W1767 HydrophobicContact CD1-CG 4.31Å; L1615-W1767 HydrophobicContact CD2-CD2 4.44Å; L1615-W1767 VanDerWaalsContact CD2-CE2 3.45Å; L1615-W1767 HydrophobicContact CD2-CH2 4.36Å; L1615-W1767 HydrophobicContact CD2-CZ2 3.42Å; L1615-W1767 VanDerWaalsContact CD2-CZ2 3.47Å; L1615-W1767 VanDerWaalsContact CD2-NE1 3.32Å; L1656-W1767 HydrophobicContact CB-CD2 4.42Å; L1656-W1767 HydrophobicContact CB-CE3 3.52Å; L1656-W1767 VanDerWaalsContact CB-CE3 3.48Å; L1656-W1767 HydrophobicContact CB-CH2 4.48Å; L1656-W1767 HydrophobicContact CB-CZ3 3.6Å; L1656-W1767 VanDerWaalsContact CB-CZ3 3.41Å; L1656-W1767 HydrophobicContact CD1-CD2 4.45Å; L1656-W1767 HydrophobicContact CD1-CE3 4.18Å; L1656-W1767 HydrophobicContact CD1-CZ3 4.44Å; L1656-W1767 HydrophobicContact CD2-CE3 4.47Å; L1656-W1767 HydrophobicContact CG-CE3 4.32Å; L1656-W1767 HydrophobicContact CG-CZ3 4.5Å; C1657-W1767 HydrophobicContact CB-CH2 4.42Å; C1657-W1767 HydrophobicContact CB-CZ3 4.22Å; Q1660-W1767 VanDerWaalsContact NE2-CZ3 3.34Å; V1759-W1767 HydrophobicContact CG1-CB 3.4Å; V1759-W1767 VanDerWaalsContact CG1-CB 3.42Å; V1759-W1767 HydrophobicContact CG1-CG 4.04Å; A1763-W1767 PolarHBondContact O-N 3.13Å; W1767-A1769 PolarHBondContact O-N 3.04Å; W1767-A1769 VanDerWaalsContact O-N 3.13Å; W1767-S1770 WeakPolarHBondContact O-CB 3.37Å; W1767-S1770 PolarHBondContact O-N 3.13Å; W1767-S1770 VanDerWaalsContact O-N 3.12Å; W1767-S1770 PolarHBondContact O-OG 3.08Å; W1767-S1770 VanDerWaalsContact O-OG 3.09Å; W1767-L1927 HydrophobicContact CE3-CD1 4.29Å; W1767-L1927 HydrophobicContact CH2-CD1 3.94Å; W1767-L1927 HydrophobicContact CH2-CD2 4Å; W1767-L1927 HydrophobicContact CH2-CG 4.25Å; W1767-L1927 HydrophobicContact CZ2-CD1 4.12Å; W1767-L1927 HydrophobicContact CZ2-CD2 3.28Å; W1767-L1927 HydrophobicContact CZ2-CG 4.15Å; W1767-L1927 HydrophobicContact CZ3-CD1 3.77Å; W1767-L1927 HydrophobicContact CZ3-CD2 4.49Å | ||
| 1768 | P | 91.3 | Very high | 90.8 | Very high | 13.6 Ų | 13.6 | 12.3 Ų | 12.3 | 9% | 0.088 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20.9 | -179.9 | 26 | -36.4 | 0 | 0 | 0 | 114.8 | Q1660 E1766 S1770 A1771 A1931 F1934 H1935 | Q1660-P1768 VanDerWaalsContact OE1-CD 3.31Å; E1766-P1768 VanDerWaalsContact C-CD 3.45Å; E1766-P1768 WeakPolarHBondContact O-CD 3.38Å; P1768-S1770 PolarHBondContact O-N 3.24Å; P1768-S1770 VanDerWaalsContact O-N 3.16Å; P1768-A1771 PolarHBondContact O-N 3.18Å; P1768-A1931 HydrophobicContact CG-CB 4.39Å; P1768-F1934 HydrophobicContact CB-CD1 3.67Å; P1768-F1934 HydrophobicContact CB-CE1 4.14Å; P1768-F1934 HydrophobicContact CB-CG 4.48Å; P1768-F1934 HydrophobicContact CG-CB 3.93Å; P1768-F1934 HydrophobicContact CG-CD1 3.61Å; P1768-F1934 HydrophobicContact CG-CE1 4.41Å; P1768-F1934 HydrophobicContact CG-CG 4.03Å; P1768-H1935 VanDerWaalsContact CB-CE1 3.44Å; P1768-H1935 WeakPolarHBondContact CB-CE1 3.37Å |
| 1769 | A | 92.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.1 | -21.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1656 T1659 Q1660 W1767 A1771 I1772 L1773 F1934 | L1656-A1769 HydrophobicContact CD2-CB 4.36Å; T1659-A1769 HydrophobicContact CG2-CB 4.05Å; Q1660-A1769 HydrophobicContact CB-CB 3.98Å; Q1660-A1769 HydrophobicContact CG-CB 3.55Å; W1767-A1769 PolarHBondContact O-N 3.04Å; W1767-A1769 VanDerWaalsContact O-N 3.13Å; A1769-A1771 VanDerWaalsContact C-N 3.32Å; A1769-A1771 PolarHBondContact O-N 2.93Å; A1769-I1772 PolarHBondContact O-N 3.26Å; A1769-L1773 WeakPolarHBondContact O-CG 3.39Å; A1769-L1773 PolarHBondContact O-N 3.23Å; A1769-F1934 VanDerWaalsContact CA-CZ 3.42Å; A1769-F1934 HydrophobicContact CB-CD2 4.44Å; A1769-F1934 HydrophobicContact CB-CE1 4.31Å; A1769-F1934 HydrophobicContact CB-CE2 4.01Å; A1769-F1934 HydrophobicContact CB-CZ 3.81Å |
| 1770 | S | 94.1 | Very high | 90.9 | Very high | 1.6 Ų | 1.6 | 13.6 Ų | 13.6 | 1% | 0.011 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.1 | -43.1 | 177.9 | 63 | 0 | 0 | 0 | 0 | 112.6 | L1656 T1760 W1767 P1768 I1772 L1773 L1774 | L1656-S1770 VanDerWaalsContact CD2-CA 3.47Å; L1656-S1770 VanDerWaalsContact CD2-CB 3.5Å; T1760-S1770 WeakPolarHBondContact CA-OG 3.31Å; T1760-S1770 WeakPolarHBondContact CB-OG 3.28Å; T1760-S1770 PolarHBondContact N-OG 3.31Å; T1760-S1770 VanDerWaalsContact OG1-CB 3.23Å; T1760-S1770 WeakPolarHBondContact OG1-CB 3.41Å; T1760-S1770 PolarHBondContact OG1-OG 3.11Å; W1767-S1770 WeakPolarHBondContact O-CB 3.37Å; W1767-S1770 PolarHBondContact O-N 3.13Å; W1767-S1770 VanDerWaalsContact O-N 3.12Å; W1767-S1770 PolarHBondContact O-OG 3.08Å; W1767-S1770 VanDerWaalsContact O-OG 3.09Å; P1768-S1770 PolarHBondContact O-N 3.24Å; P1768-S1770 VanDerWaalsContact O-N 3.16Å; S1770-I1772 VanDerWaalsContact C-N 3.33Å; S1770-I1772 PolarHBondContact O-N 3.22Å; S1770-L1773 PolarHBondContact O-N 3.17Å; S1770-L1774 WeakPolarHBondContact O-CG 3.3Å; S1770-L1774 PolarHBondContact O-N 3.07Å |
| 1771 | A | 91.3 | Very high | 90.9 | Very high | 10.8 Ų | 10.8 | 13.3 Ų | 13.3 | 9% | 0.089 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.4 | -39.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | T1760 P1768 A1769 L1774 N1775 L2079 V2084 L2085 | T1760-A1771 HydrophobicContact CG2-CB 4.15Å; P1768-A1771 PolarHBondContact O-N 3.18Å; A1769-A1771 VanDerWaalsContact C-N 3.32Å; A1769-A1771 PolarHBondContact O-N 2.93Å; A1771-L1774 PolarHBondContact O-N 3.22Å; A1771-N1775 VanDerWaalsContact O-CG 3.28Å; A1771-N1775 PolarHBondContact O-N 3.2Å; A1771-N1775 PolarHBondContact O-ND2 3.35Å; A1771-L2079 HydrophobicContact CB-CD1 3.54Å; A1771-L2079 HydrophobicContact CB-CD2 3.7Å; A1771-V2084 HydrophobicContact CB-CG1 3.77Å; A1771-L2085 HydrophobicContact CB-CD2 4.39Å |
| 1772 | I | 92.6 | Very high | 91 | Very high | 12 Ų | 12 | 14.8 Ų | 14.8 | 6% | 0.062 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.2 | -43.1 | 175.6 | -60.8 | -123.5 | 0 | 0 | 0 | 110.9 | Y1719 V1723 A1769 S1770 L1774 N1775 V1776 F1934 V2084 | Y1719-I1772 HydrophobicContact CD2-CD1 4.45Å; Y1719-I1772 HydrophobicContact CE1-CD1 4.34Å; Y1719-I1772 HydrophobicContact CE2-CD1 3.48Å; Y1719-I1772 VanDerWaalsContact CE2-CD1 3.5Å; Y1719-I1772 WeakPolarHBondContact OH-CD1 3.36Å; V1723-I1772 HydrophobicContact CB-CG2 4.45Å; V1723-I1772 HydrophobicContact CG2-CD1 4.36Å; V1723-I1772 HydrophobicContact CG2-CG2 3.93Å; A1769-I1772 PolarHBondContact O-N 3.26Å; S1770-I1772 VanDerWaalsContact C-N 3.33Å; S1770-I1772 PolarHBondContact O-N 3.22Å; I1772-L1774 VanDerWaalsContact C-N 3.29Å; I1772-L1774 PolarHBondContact O-N 3.19Å; I1772-N1775 WeakPolarHBondContact O-CB 3.36Å; I1772-N1775 PolarHBondContact O-N 3.09Å; I1772-N1775 VanDerWaalsContact O-N 3.12Å; I1772-V1776 HydrophobicContact CG2-CG2 4.17Å; I1772-V1776 WeakPolarHBondContact O-CB 3.2Å; I1772-V1776 VanDerWaalsContact O-CG2 3.3Å; I1772-V1776 WeakPolarHBondContact O-CG2 3.33Å; I1772-V1776 PolarHBondContact O-N 3.17Å; I1772-F1934 HydrophobicContact CB-CZ 4.34Å; I1772-F1934 HydrophobicContact CD1-CE1 3.57Å; I1772-F1934 VanDerWaalsContact CD1-CE1 3.45Å; I1772-F1934 HydrophobicContact CD1-CE2 4.37Å; I1772-F1934 HydrophobicContact CD1-CZ 3.35Å; I1772-F1934 VanDerWaalsContact CD1-CZ 3.45Å; I1772-F1934 HydrophobicContact CG1-CE1 3.97Å; I1772-F1934 HydrophobicContact CG1-CZ 3.89Å; I1772-V2084 HydrophobicContact CD1-CG1 3.53Å; I1772-V2084 HydrophobicContact CG1-CG1 4.3Å |
| 1773 | L | 94.5 | Very high | 91.1 | Very high | 0.2 Ų | 0.2 | 16.5 Ų | 16.5 | 0% | 0.001 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.6 | -39.8 | 175.6 | -76.6 | 163.2 | 0 | 0 | 0 | 111.5 | F1655 L1656 T1659 A1726 L1730 L1756 A1769 S1770 V1776 L1777 | F1655-L1773 HydrophobicContact CB-CD1 4.4Å; L1656-L1773 HydrophobicContact CD2-CD1 3.74Å; L1656-L1773 HydrophobicContact CG-CD1 4.17Å; T1659-L1773 HydrophobicContact CG2-CD2 4.34Å; A1726-L1773 HydrophobicContact CB-CD2 3.68Å; A1726-L1773 HydrophobicContact CB-CG 4.39Å; L1730-L1773 HydrophobicContact CD1-CB 4.42Å; L1730-L1773 HydrophobicContact CD1-CD2 3.79Å; L1730-L1773 VanDerWaalsContact CD1-O 3.31Å; L1730-L1773 WeakPolarHBondContact CD1-O 3.31Å; L1730-L1773 HydrophobicContact CD2-CD2 4.43Å; L1730-L1773 HydrophobicContact CG-CD2 4.06Å; L1756-L1773 HydrophobicContact CD1-CB 4Å; L1756-L1773 HydrophobicContact CD2-CB 3.9Å; L1756-L1773 HydrophobicContact CD2-CD1 3.73Å; L1756-L1773 HydrophobicContact CD2-CG 4.43Å; L1756-L1773 HydrophobicContact CG-CB 4.5Å; A1769-L1773 WeakPolarHBondContact O-CG 3.39Å; A1769-L1773 PolarHBondContact O-N 3.23Å; S1770-L1773 PolarHBondContact O-N 3.17Å; L1773-V1776 PolarHBondContact O-N 3.14Å; L1773-L1777 WeakPolarHBondContact O-CB 3.14Å; L1773-L1777 PolarHBondContact O-N 3.21Å |
| 1774 | L | 93.1 | Very high | 91 | Very high | 1.2 Ų | 1.2 | 18.3 Ų | 18.3 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65 | -41.5 | 173.4 | -71.1 | -176.2 | 0 | 0 | 0 | 112.9 | L1756 L1757 T1760 S1770 A1771 I1772 L1777 S1778 L1821 L1825 L2085 P2086 | L1756-L1774 HydrophobicContact CB-CD2 3.51Å; L1756-L1774 VanDerWaalsContact CB-CD2 3.48Å; L1756-L1774 HydrophobicContact CB-CG 4.07Å; L1756-L1774 HydrophobicContact CD1-CD2 4.39Å; L1757-L1774 HydrophobicContact CD2-CD1 4.06Å; L1757-L1774 HydrophobicContact CD2-CD2 4.41Å; L1757-L1774 HydrophobicContact CG-CD1 4.5Å; L1757-L1774 HydrophobicContact CG-CD2 4.22Å; T1760-L1774 HydrophobicContact CG2-CD1 4.04Å; T1760-L1774 VanDerWaalsContact OG1-CD1 3.27Å; T1760-L1774 WeakPolarHBondContact OG1-CD1 3.26Å; S1770-L1774 WeakPolarHBondContact O-CG 3.3Å; S1770-L1774 PolarHBondContact O-N 3.07Å; A1771-L1774 PolarHBondContact O-N 3.22Å; I1772-L1774 VanDerWaalsContact C-N 3.29Å; I1772-L1774 PolarHBondContact O-N 3.19Å; L1774-L1777 HydrophobicContact CD2-CD2 4.37Å; L1774-L1777 WeakPolarHBondContact O-CB 3.39Å; L1774-L1777 PolarHBondContact O-N 3.3Å; L1774-S1778 WeakPolarHBondContact O-CB 3.31Å; L1774-S1778 PolarHBondContact O-N 3.12Å; L1774-S1778 PolarHBondContact O-OG 3.14Å; L1774-S1778 VanDerWaalsContact O-OG 3.05Å; L1774-L1821 HydrophobicContact CD2-CD1 3.79Å; L1774-L1825 HydrophobicContact CD1-CD2 4.39Å; L1774-L2085 HydrophobicContact CD1-CD2 4.47Å; L1774-P2086 HydrophobicContact CB-CG 4.37Å; L1774-P2086 WeakPolarHBondContact O-CG 3.24Å |
| 1775 | N | 91.9 | Very high | 90.9 | Very high | 62.4 Ų | 62.4 | 18.4 Ų | 18.4 | 33% | 0.334 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -64 | -45 | 176.9 | -154.5 | 16.8 | 0 | 0 | 0 | 111.7 | A1771 I1772 L1777 S1778 S1779 V2084 | A1771-N1775 VanDerWaalsContact O-CG 3.28Å; A1771-N1775 PolarHBondContact O-N 3.2Å; A1771-N1775 PolarHBondContact O-ND2 3.35Å; I1772-N1775 WeakPolarHBondContact O-CB 3.36Å; I1772-N1775 PolarHBondContact O-N 3.09Å; I1772-N1775 VanDerWaalsContact O-N 3.12Å; N1775-L1777 VanDerWaalsContact C-N 3.33Å; N1775-L1777 PolarHBondContact O-N 3.01Å; N1775-S1778 WeakPolarHBondContact CA-OG 3.47Å; N1775-S1778 PolarHBondContact O-N 3.13Å; N1775-S1778 PolarHBondContact O-OG 3.33Å; N1775-S1779 WeakPolarHBondContact O-CB 3.5Å; N1775-S1779 PolarHBondContact O-N 3.25Å; N1775-S1779 PolarHBondContact O-OG 3.27Å; N1775-V2084 VanDerWaalsContact CB-O 3.3Å; N1775-V2084 WeakPolarHBondContact CB-O 3.22Å |
| 1776 | V | 93.4 | Very high | 90.7 | Very high | 9.2 Ų | 9.2 | 22.2 Ų | 22.2 | 6% | 0.056 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | 175.6 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | V1723 A1726 H1727 L1730 I1772 L1773 S1778 S1779 L1780 | V1723-V1776 HydrophobicContact CG1-CG2 3.9Å; A1726-V1776 HydrophobicContact CB-CB 4.49Å; A1726-V1776 HydrophobicContact CB-CG1 4.45Å; A1726-V1776 HydrophobicContact CB-CG2 4.2Å; H1727-V1776 VanDerWaalsContact CA-CG1 3.47Å; H1727-V1776 HydrophobicContact CB-CG1 3.63Å; L1730-V1776 HydrophobicContact CD1-CB 4.29Å; L1730-V1776 HydrophobicContact CD1-CG1 4.02Å; I1772-V1776 HydrophobicContact CG2-CG2 4.17Å; I1772-V1776 WeakPolarHBondContact O-CB 3.2Å; I1772-V1776 VanDerWaalsContact O-CG2 3.3Å; I1772-V1776 WeakPolarHBondContact O-CG2 3.33Å; I1772-V1776 PolarHBondContact O-N 3.17Å; L1773-V1776 PolarHBondContact O-N 3.14Å; V1776-S1778 VanDerWaalsContact C-N 3.32Å; V1776-S1778 PolarHBondContact O-N 3.08Å; V1776-S1779 WeakPolarHBondContact CA-OG 3.44Å; V1776-S1779 PolarHBondContact O-N 3.09Å; V1776-S1779 PolarHBondContact O-OG 3.34Å; V1776-L1780 VanDerWaalsContact O-CB 3.27Å; V1776-L1780 WeakPolarHBondContact O-CB 3.36Å; V1776-L1780 PolarHBondContact O-N 3.21Å |
| 1777 | L | 94 | Very high | 90.1 | Very high | 0.6 Ų | 0.6 | 25.9 Ų | 25.9 | 0% | 0.003 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57 | -50.8 | 173.8 | 176.4 | 61.8 | 0 | 0 | 0 | 110.4 | L1730 W1749 T1753 L1773 L1774 N1775 S1779 L1780 L1781 | L1730-L1777 HydrophobicContact CD1-CB 4.02Å; W1749-L1777 HydrophobicContact CH2-CD1 3.39Å; W1749-L1777 HydrophobicContact CZ2-CD1 3.35Å; W1749-L1777 HydrophobicContact CZ3-CD1 4.47Å; T1753-L1777 HydrophobicContact CG2-CD2 3.92Å; L1773-L1777 WeakPolarHBondContact O-CB 3.14Å; L1773-L1777 PolarHBondContact O-N 3.21Å; L1774-L1777 HydrophobicContact CD2-CD2 4.37Å; L1774-L1777 WeakPolarHBondContact O-CB 3.39Å; L1774-L1777 PolarHBondContact O-N 3.3Å; N1775-L1777 VanDerWaalsContact C-N 3.33Å; N1775-L1777 PolarHBondContact O-N 3.01Å; L1777-S1779 VanDerWaalsContact C-N 3.33Å; L1777-S1779 PolarHBondContact O-N 3.12Å; L1777-L1780 WeakPolarHBondContact O-CB 3.45Å; L1777-L1780 PolarHBondContact O-N 3.23Å; L1777-L1780 VanDerWaalsContact O-N 3.12Å; L1777-L1781 HydrophobicContact CD1-CD1 4.16Å; L1777-L1781 HydrophobicContact CD1-CG 4.19Å; L1777-L1781 HydrophobicContact CG-CD1 4.12Å; L1777-L1781 HydrophobicContact CG-CG 4.48Å; L1777-L1781 WeakPolarHBondContact O-CB 3.35Å; L1777-L1781 VanDerWaalsContact O-CG 3.27Å; L1777-L1781 WeakPolarHBondContact O-CG 3.36Å; L1777-L1781 PolarHBondContact O-N 3.23Å |
| 1778 | S | 92.8 | Very high | 88.4 | Confident | 9.2 Ų | 9.2 | 28.3 Ų | 28.3 | 6% | 0.064 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.5 | -43.3 | 178.5 | 67.7 | 0 | 0 | 0 | 0 | 112.7 | L1774 N1775 V1776 L1780 L1781 I1782 | L1774-S1778 WeakPolarHBondContact O-CB 3.31Å; L1774-S1778 PolarHBondContact O-N 3.12Å; L1774-S1778 PolarHBondContact O-OG 3.14Å; L1774-S1778 VanDerWaalsContact O-OG 3.05Å; N1775-S1778 WeakPolarHBondContact CA-OG 3.47Å; N1775-S1778 PolarHBondContact O-N 3.13Å; N1775-S1778 PolarHBondContact O-OG 3.33Å; V1776-S1778 VanDerWaalsContact C-N 3.32Å; V1776-S1778 PolarHBondContact O-N 3.08Å; S1778-L1780 VanDerWaalsContact C-N 3.33Å; S1778-L1780 PolarHBondContact O-N 3.49Å; S1778-L1781 PolarHBondContact O-N 3.02Å; S1778-I1782 WeakPolarHBondContact O-CB 3.32Å; S1778-I1782 WeakPolarHBondContact O-CD1 3.31Å; S1778-I1782 VanDerWaalsContact O-CG1 3.27Å; S1778-I1782 WeakPolarHBondContact O-CG1 3.33Å; S1778-I1782 PolarHBondContact O-N 3.3Å |
| 1779 | S | 91.7 | Very high | 86.4 | Confident | 57.6 Ų | 57.6 | 34.1 Ų | 34.1 | 40% | 0.403 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65 | -40.6 | 177.6 | 3.7 | 0 | 0 | 0 | 0 | 112 | N1775 V1776 L1777 I1782 Q1783 | N1775-S1779 WeakPolarHBondContact O-CB 3.5Å; N1775-S1779 PolarHBondContact O-N 3.25Å; N1775-S1779 PolarHBondContact O-OG 3.27Å; V1776-S1779 WeakPolarHBondContact CA-OG 3.44Å; V1776-S1779 PolarHBondContact O-N 3.09Å; V1776-S1779 PolarHBondContact O-OG 3.34Å; L1777-S1779 VanDerWaalsContact C-N 3.33Å; L1777-S1779 PolarHBondContact O-N 3.12Å; S1779-I1782 PolarHBondContact O-N 3.04Å; S1779-Q1783 WeakPolarHBondContact O-CB 3.32Å; S1779-Q1783 PolarHBondContact O-N 3.18Å |
| 1780 | L | 91.4 | Very high | 84.3 | Confident | 0.6 Ų | 0.6 | 41.9 Ų | 41.9 | 0% | 0.003 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.7 | -46.4 | 175.2 | 179.2 | 131.5 | 0 | 0 | 0 | 111 | L1730 S1731 F1734 V1776 L1777 S1778 I1782 Q1783 Q1784 | L1730-L1780 HydrophobicContact CB-CD1 4.45Å; L1730-L1780 HydrophobicContact CB-CD2 3.97Å; S1731-L1780 VanDerWaalsContact CA-CD1 3.48Å; F1734-L1780 HydrophobicContact CB-CD2 4.21Å; F1734-L1780 HydrophobicContact CD1-CD2 4.16Å; F1734-L1780 HydrophobicContact CD2-CD2 4.22Å; F1734-L1780 HydrophobicContact CG-CD2 3.91Å; V1776-L1780 VanDerWaalsContact O-CB 3.27Å; V1776-L1780 WeakPolarHBondContact O-CB 3.36Å; V1776-L1780 PolarHBondContact O-N 3.21Å; L1777-L1780 WeakPolarHBondContact O-CB 3.45Å; L1777-L1780 PolarHBondContact O-N 3.23Å; L1777-L1780 VanDerWaalsContact O-N 3.12Å; S1778-L1780 VanDerWaalsContact C-N 3.33Å; S1778-L1780 PolarHBondContact O-N 3.49Å; L1780-I1782 PolarHBondContact O-N 3.38Å; L1780-Q1783 WeakPolarHBondContact O-CB 3.3Å; L1780-Q1783 PolarHBondContact O-N 3.15Å; L1780-Q1784 HydrophobicContact CD1-CG 4.05Å; L1780-Q1784 HydrophobicContact CD2-CG 4.21Å; L1780-Q1784 HydrophobicContact CG-CG 4.44Å; L1780-Q1784 VanDerWaalsContact O-CG 3.27Å; L1780-Q1784 WeakPolarHBondContact O-CG 3.29Å; L1780-Q1784 PolarHBondContact O-N 3.17Å |
| 1781 | L | 91.5 | Very high | 82 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62 | -45.3 | 178.9 | -66.4 | 175.9 | 0 | 0 | 0 | 111.7 | F1734 W1749 L1777 S1778 Q1783 Q1784 L1785 A1814 T1817 L1818 | F1734-L1781 HydrophobicContact CD2-CD2 4.24Å; F1734-L1781 HydrophobicContact CE2-CD2 4.09Å; W1749-L1781 HydrophobicContact CZ2-CD2 4.37Å; L1777-L1781 HydrophobicContact CD1-CD1 4.16Å; L1777-L1781 HydrophobicContact CD1-CG 4.19Å; L1777-L1781 HydrophobicContact CG-CD1 4.12Å; L1777-L1781 HydrophobicContact CG-CG 4.48Å; L1777-L1781 WeakPolarHBondContact O-CB 3.35Å; L1777-L1781 VanDerWaalsContact O-CG 3.27Å; L1777-L1781 WeakPolarHBondContact O-CG 3.36Å; L1777-L1781 PolarHBondContact O-N 3.23Å; S1778-L1781 PolarHBondContact O-N 3.02Å; L1781-Q1783 VanDerWaalsContact C-N 3.32Å; L1781-Q1783 PolarHBondContact O-N 3.01Å; L1781-Q1784 PolarHBondContact O-N 3.18Å; L1781-L1785 WeakPolarHBondContact O-CB 3.38Å; L1781-L1785 WeakPolarHBondContact O-CD1 3.44Å; L1781-L1785 VanDerWaalsContact O-CG 3.24Å; L1781-L1785 WeakPolarHBondContact O-CG 3.32Å; L1781-L1785 PolarHBondContact O-N 3.35Å; L1781-L1785 VanDerWaalsContact O-N 3.1Å; L1781-A1814 HydrophobicContact CD2-CB 3.77Å; L1781-T1817 WeakPolarHBondContact CD1-OG1 3.38Å; L1781-T1817 WeakPolarHBondContact CD2-OG1 3.4Å; L1781-L1818 HydrophobicContact CB-CD1 4.37Å; L1781-L1818 HydrophobicContact CD1-CB 4.25Å |
| 1782 | I | 89.2 | Confident | 79.9 | Confident | 42.2 Ų | 42.2 | 51 Ų | 51 | 22% | 0.216 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 175.3 | -67.3 | 165.4 | 0 | 0 | 0 | 110.8 | S1778 S1779 L1780 Q1784 L1785 N1786 L1818 V2090 L2091 F2094 | S1778-I1782 WeakPolarHBondContact O-CB 3.32Å; S1778-I1782 WeakPolarHBondContact O-CD1 3.31Å; S1778-I1782 VanDerWaalsContact O-CG1 3.27Å; S1778-I1782 WeakPolarHBondContact O-CG1 3.33Å; S1778-I1782 PolarHBondContact O-N 3.3Å; S1779-I1782 PolarHBondContact O-N 3.04Å; L1780-I1782 PolarHBondContact O-N 3.38Å; I1782-Q1784 VanDerWaalsContact C-N 3.34Å; I1782-Q1784 PolarHBondContact O-N 3.11Å; I1782-L1785 PolarHBondContact O-N 3.31Å; I1782-N1786 WeakPolarHBondContact CG2-ND2 3.39Å; I1782-N1786 WeakPolarHBondContact O-CB 3.32Å; I1782-N1786 PolarHBondContact O-N 3.15Å; I1782-N1786 PolarHBondContact O-ND2 2.92Å; I1782-L1818 HydrophobicContact CG1-CD1 4.5Å; I1782-V2090 HydrophobicContact CD1-CG1 4.43Å; I1782-L2091 HydrophobicContact CD1-CD2 3.76Å; I1782-L2091 HydrophobicContact CG1-CD2 4.18Å; I1782-F2094 HydrophobicContact CG2-CD2 4.39Å; I1782-F2094 HydrophobicContact CG2-CE2 4.06Å; I1782-F2094 HydrophobicContact CG2-CZ 4.46Å |
| 1783 | Q | 88.2 | Confident | 77.7 | Confident | 92.6 Ų | 92.6 | 56.4 Ų | 56.4 | 43% | 0.433 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 178.5 | -171.3 | -174.8 | 12.8 | 0 | 0 | 111.7 | S1779 L1780 L1781 L1785 N1786 Q1787 | S1779-Q1783 WeakPolarHBondContact O-CB 3.32Å; S1779-Q1783 PolarHBondContact O-N 3.18Å; L1780-Q1783 WeakPolarHBondContact O-CB 3.3Å; L1780-Q1783 PolarHBondContact O-N 3.15Å; L1781-Q1783 VanDerWaalsContact C-N 3.32Å; L1781-Q1783 PolarHBondContact O-N 3.01Å; Q1783-L1785 VanDerWaalsContact C-N 3.27Å; Q1783-L1785 PolarHBondContact O-N 3.01Å; Q1783-N1786 PolarHBondContact O-N 3.21Å; Q1783-Q1787 VanDerWaalsContact O-CG 3.32Å; Q1783-Q1787 WeakPolarHBondContact O-CG 3.32Å; Q1783-Q1787 PolarHBondContact O-N 3.11Å |
| 1784 | Q | 85.6 | Confident | 75.4 | Confident | 38.8 Ų | 38.8 | 63.4 Ų | 63.4 | 18% | 0.181 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.3 | -35 | 177.8 | -68.3 | -62.3 | -54.7 | 0 | 0 | 112.4 | F1734 L1780 L1781 I1782 A1814 | F1734-Q1784 HydrophobicContact CD1-CG 4.19Å; F1734-Q1784 HydrophobicContact CE1-CB 4.29Å; F1734-Q1784 HydrophobicContact CE1-CG 3.6Å; F1734-Q1784 HydrophobicContact CZ-CB 4.45Å; F1734-Q1784 HydrophobicContact CZ-CG 4.12Å; L1780-Q1784 HydrophobicContact CD1-CG 4.05Å; L1780-Q1784 HydrophobicContact CD2-CG 4.21Å; L1780-Q1784 HydrophobicContact CG-CG 4.44Å; L1780-Q1784 VanDerWaalsContact O-CG 3.27Å; L1780-Q1784 WeakPolarHBondContact O-CG 3.29Å; L1780-Q1784 PolarHBondContact O-N 3.17Å; L1781-Q1784 PolarHBondContact O-N 3.18Å; I1782-Q1784 VanDerWaalsContact C-N 3.34Å; I1782-Q1784 PolarHBondContact O-N 3.11Å; Q1784-A1814 HydrophobicContact CB-CB 4.43Å |
| 1785 | L | 85.8 | Confident | 73 | Confident | 13.8 Ų | 13.8 | 66.4 Ų | 66.4 | 7% | 0.072 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -76.6 | -34.6 | 178.5 | -64.8 | 166.2 | 0 | 0 | 0 | 112.4 | L1781 I1782 Q1783 Q1787 T1788 K1811 A1814 V1815 L1818 F2094 L2098 | L1781-L1785 WeakPolarHBondContact O-CB 3.38Å; L1781-L1785 WeakPolarHBondContact O-CD1 3.44Å; L1781-L1785 VanDerWaalsContact O-CG 3.24Å; L1781-L1785 WeakPolarHBondContact O-CG 3.32Å; L1781-L1785 PolarHBondContact O-N 3.35Å; L1781-L1785 VanDerWaalsContact O-N 3.1Å; I1782-L1785 PolarHBondContact O-N 3.31Å; Q1783-L1785 VanDerWaalsContact C-N 3.27Å; Q1783-L1785 PolarHBondContact O-N 3.01Å; L1785-Q1787 VanDerWaalsContact C-N 3.33Å; L1785-Q1787 PolarHBondContact O-N 3.28Å; L1785-T1788 WeakPolarHBondContact O-CB 3.37Å; L1785-T1788 PolarHBondContact O-N 3.28Å; L1785-T1788 PolarHBondContact O-OG1 3.09Å; L1785-T1788 VanDerWaalsContact O-OG1 3.09Å; L1785-K1811 HydrophobicContact CD2-CB 4.12Å; L1785-K1811 HydrophobicContact CD2-CG 4.43Å; L1785-K1811 WeakPolarHBondContact CD2-O 3.29Å; L1785-A1814 HydrophobicContact CD1-CB 4.24Å; L1785-A1814 HydrophobicContact CD2-CB 3.95Å; L1785-A1814 HydrophobicContact CG-CB 3.97Å; L1785-V1815 HydrophobicContact CD1-CG2 4.25Å; L1785-V1815 HydrophobicContact CD2-CG2 3.53Å; L1785-V1815 VanDerWaalsContact CD2-CG2 3.48Å; L1785-L1818 HydrophobicContact CD1-CD1 3.86Å; L1785-L1818 HydrophobicContact CD1-CD2 4.1Å; L1785-F2094 HydrophobicContact CB-CE1 3.42Å; L1785-F2094 VanDerWaalsContact CB-CE1 3.42Å; L1785-F2094 HydrophobicContact CB-CZ 3.71Å; L1785-F2094 HydrophobicContact CD1-CD1 4.04Å; L1785-F2094 HydrophobicContact CD1-CE1 3.58Å; L1785-F2094 HydrophobicContact CG-CE1 4.09Å; L1785-L2098 HydrophobicContact CD1-CD1 4.2Å; L1785-L2098 HydrophobicContact CD2-CD1 4.45Å |
| 1786 | N | 83.6 | Confident | 70.9 | Confident | 87.8 Ų | 87.8 | 70.2 Ų | 70.2 | 47% | 0.47 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -74.5 | -21.5 | 179.7 | -80.1 | -26 | 0 | 0 | 0 | 114.7 | I1782 Q1783 T1788 N1789 F2094 | I1782-N1786 WeakPolarHBondContact CG2-ND2 3.39Å; I1782-N1786 WeakPolarHBondContact O-CB 3.32Å; I1782-N1786 PolarHBondContact O-N 3.15Å; I1782-N1786 PolarHBondContact O-ND2 2.92Å; Q1783-N1786 PolarHBondContact O-N 3.21Å; N1786-T1788 PolarHBondContact O-N 3.19Å; N1786-N1789 PolarHBondContact O-N 3.32Å; N1786-F2094 VanDerWaalsContact OD1-CE2 3.26Å; N1786-F2094 WeakPolarHBondContact OD1-CE2 3.38Å; N1786-F2094 VanDerWaalsContact OD1-CZ 3.3Å; N1786-F2094 WeakPolarHBondContact OD1-CZ 3.42Å |
| 1787 | Q | 72.2 | Confident | 68.8 | Low | 89.4 Ų | 89.4 | 74.4 Ų | 74.4 | 42% | 0.418 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -60.9 | -6.9 | -178.6 | -79.1 | 170.3 | 6.5 | 0 | 0 | 114.4 | Q1783 L1785 N1789 | Q1783-Q1787 VanDerWaalsContact O-CG 3.32Å; Q1783-Q1787 WeakPolarHBondContact O-CG 3.32Å; Q1783-Q1787 PolarHBondContact O-N 3.11Å; L1785-Q1787 VanDerWaalsContact C-N 3.33Å; L1785-Q1787 PolarHBondContact O-N 3.28Å; Q1787-N1789 VanDerWaalsContact C-N 3.27Å; Q1787-N1789 PolarHBondContact O-N 3.21Å |
| 1788 | T | 54.5 | Low | 66.9 | Low | 49.8 Ų | 49.8 | 79.6 Ų | 79.6 | 31% | 0.306 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -65.6 | -26 | -179.6 | -42.3 | 0 | 0 | 0 | 0 | 114.8 | L1785 N1786 Q1790 K1811 | L1785-T1788 WeakPolarHBondContact O-CB 3.37Å; L1785-T1788 PolarHBondContact O-N 3.28Å; L1785-T1788 PolarHBondContact O-OG1 3.09Å; L1785-T1788 VanDerWaalsContact O-OG1 3.09Å; N1786-T1788 PolarHBondContact O-N 3.19Å; T1788-Q1790 VanDerWaalsContact C-N 3.28Å; T1788-Q1790 PolarHBondContact O-N 3.06Å; T1788-K1811 VanDerWaalsContact CB-NZ 3.33Å; T1788-K1811 VanDerWaalsContact CG2-NZ 3.33Å; T1788-K1811 VanDerWaalsContact OG1-CE 3.29Å; T1788-K1811 WeakPolarHBondContact OG1-CE 3.34Å; T1788-K1811 PolarHBondContact OG1-NZ 3.08Å |
| 1789 | N | 49.7 | Very low | 64.9 | Low | 135.6 Ų | 135.6 | 84.9 Ų | 84.9 | 73% | 0.725 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -80.7 | -17.6 | -169.2 | -76.1 | -13.4 | 0 | 0 | 0 | 115.6 | N1786 Q1787 | N1786-N1789 PolarHBondContact O-N 3.32Å; Q1787-N1789 VanDerWaalsContact C-N 3.27Å; Q1787-N1789 PolarHBondContact O-N 3.21Å |
| 1790 | Q | 49.1 | Very low | 63.2 | Low | 164.8 Ų | 164.8 | 83.5 Ų | 83.5 | 77% | 0.77 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -98.6 | -24.3 | -172.7 | -67.5 | -173.7 | -4.5 | 0 | 0 | 114.5 | T1788 A1792 T1793 | T1788-Q1790 VanDerWaalsContact C-N 3.28Å; T1788-Q1790 PolarHBondContact O-N 3.06Å; Q1790-A1792 PolarHBondContact O-N 2.9Å; Q1790-T1793 PolarHBondContact O-OG1 3.41Å |
| 1791 | N | 45 | Very low | 61.4 | Low | 113.2 Ų | 113.2 | 86.3 Ų | 86.3 | 61% | 0.605 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -95.9 | -2 | -170.8 | -66.4 | -7 | 0 | 0 | 0 | 114.5 | T1793 | N1791-T1793 VanDerWaalsContact C-N 3.32Å; N1791-T1793 PolarHBondContact O-N 2.93Å |
| 1792 | A | 48.5 | Very low | 59.7 | Low | 90.6 Ų | 90.6 | 96.4 Ų | 96.4 | 75% | 0.749 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -18.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q1790 | Q1790-A1792 PolarHBondContact O-N 2.9Š|
| 1793 | T | 46.4 | Very low | 58.5 | Low | 124.8 Ų | 124.8 | 97.7 Ų | 97.7 | 77% | 0.766 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -8 | -171 | 38.5 | 0 | 0 | 0 | 0 | 115.4 | Q1790 N1791 | Q1790-T1793 PolarHBondContact O-OG1 3.41Å; N1791-T1793 VanDerWaalsContact C-N 3.32Å; N1791-T1793 PolarHBondContact O-N 2.93Å |
| 1794 | I | 45.4 | Very low | 57.6 | Low | 147.4 Ų | 147.4 | 100.1 Ų | 100.1 | 76% | 0.756 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -139.1 | 90.2 | -172.7 | -50.4 | 176.2 | 0 | 0 | 0 | 111 | ||
| 1795 | S | 42.4 | Very low | 56.9 | Low | 64 Ų | 64 | 103.1 Ų | 103.1 | 45% | 0.448 | 57% | 0.566 | S | S | . | * | trans | 164.2 | 101.4 | 153 | -175.1 | 0 | 0 | 0 | 0 | 113.2 | N1797 T1800 R1804 | S1795-N1797 PolarHBondContact O-N 2.77Å; S1795-T1800 VanDerWaalsContact OG-CG2 3.3Å; S1795-T1800 WeakPolarHBondContact OG-CG2 3.33Å; S1795-R1804 PolarHBondContact O-NH2 3.29Å; S1795-R1804 PolarHBondContact OG-NH2 2.94Å | ||
| 1796 | T | 49.1 | Very low | 56.4 | Low | 141.4 Ų | 141.4 | 105 Ų | 105 | 87% | 0.867 | 58% | 0.578 | S | S | * | * | trans | -90.9 | 25.1 | 171.3 | 45.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1797 | N | 47.8 | Very low | 56.2 | Low | 98 Ų | 98 | 104.1 Ų | 104.1 | 52% | 0.524 | 57% | 0.571 | S | S | . | * | trans | -93.3 | 133.7 | -178.3 | -78.2 | -18.4 | 0 | 0 | 0 | 112.7 | S1795 T1799 T1800 | S1795-N1797 PolarHBondContact O-N 2.77Å; N1797-T1799 VanDerWaalsContact C-N 3.27Å; N1797-T1799 PolarHBondContact O-N 3.4Å; N1797-T1799 VanDerWaalsContact O-N 3.15Å; N1797-T1800 HydrophobicContact CB-CG2 4.32Å; N1797-T1800 VanDerWaalsContact O-CB 3.27Å; N1797-T1800 WeakPolarHBondContact O-CB 3.38Å; N1797-T1800 VanDerWaalsContact O-CG2 3.3Å; N1797-T1800 WeakPolarHBondContact O-CG2 3.41Å; N1797-T1800 PolarHBondContact O-N 3.04Å; N1797-T1800 VanDerWaalsContact O-N 3.1Å; N1797-T1800 PolarHBondContact O-OG1 2.97Å | ||
| 1798 | P | 53.8 | Low | 56.7 | Low | 109.8 Ų | 109.8 | 102.3 Ų | 102.3 | 71% | 0.713 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -19.5 | -175.5 | 24.2 | -32.5 | 0 | 0 | 0 | 114.5 | T1800 S1801 | P1798-T1800 PolarHBondContact O-N 3.05Å; P1798-S1801 WeakPolarHBondContact O-CB 3.43Å; P1798-S1801 PolarHBondContact O-N 3.29Å; P1798-S1801 PolarHBondContact O-OG 3.21Å |
| 1799 | T | 50.9 | Low | 58 | Low | 120.6 Ų | 120.6 | 102.8 Ų | 102.8 | 74% | 0.74 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -15.2 | 172.5 | 51.9 | 0 | 0 | 0 | 0 | 113.4 | N1797 S1801 | N1797-T1799 VanDerWaalsContact C-N 3.27Å; N1797-T1799 PolarHBondContact O-N 3.4Å; N1797-T1799 VanDerWaalsContact O-N 3.15Å; T1799-S1801 VanDerWaalsContact C-N 3.3Å; T1799-S1801 PolarHBondContact O-N 3.06Å |
| 1800 | T | 56.1 | Low | 59.7 | Low | 28.2 Ų | 28.2 | 96.6 Ų | 96.6 | 17% | 0.173 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -74.8 | -12.3 | 175.9 | 63.4 | 0 | 0 | 0 | 0 | 113.9 | S1795 N1797 P1798 R1802 S1803 R1804 | S1795-T1800 VanDerWaalsContact OG-CG2 3.3Å; S1795-T1800 WeakPolarHBondContact OG-CG2 3.33Å; N1797-T1800 HydrophobicContact CB-CG2 4.32Å; N1797-T1800 VanDerWaalsContact O-CB 3.27Å; N1797-T1800 WeakPolarHBondContact O-CB 3.38Å; N1797-T1800 VanDerWaalsContact O-CG2 3.3Å; N1797-T1800 WeakPolarHBondContact O-CG2 3.41Å; N1797-T1800 PolarHBondContact O-N 3.04Å; N1797-T1800 VanDerWaalsContact O-N 3.1Å; N1797-T1800 PolarHBondContact O-OG1 2.97Å; P1798-T1800 PolarHBondContact O-N 3.05Å; T1800-R1802 VanDerWaalsContact C-N 3.33Å; T1800-R1802 PolarHBondContact O-N 3.42Å; T1800-S1803 PolarHBondContact O-N 3.18Å; T1800-S1803 VanDerWaalsContact O-N 3.17Å; T1800-S1803 PolarHBondContact O-OG 2.99Å; T1800-R1804 WeakPolarHBondContact O-CB 3.32Å; T1800-R1804 WeakPolarHBondContact O-CG 3.41Å; T1800-R1804 PolarHBondContact O-N 3.42Å; T1800-R1804 VanDerWaalsContact O-N 3.13Å; T1800-R1804 VanDerWaalsContact OG1-CZ 3.22Å; T1800-R1804 PolarHBondContact OG1-NE 3.01Å; T1800-R1804 PolarHBondContact OG1-NH2 3.37Å |
| 1801 | S | 54 | Low | 61.5 | Low | 60 Ų | 60 | 89.7 Ų | 89.7 | 42% | 0.42 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | -175.6 | 59 | 0 | 0 | 0 | 0 | 112.7 | P1798 T1799 R1804 N1805 | P1798-S1801 WeakPolarHBondContact O-CB 3.43Å; P1798-S1801 PolarHBondContact O-N 3.29Å; P1798-S1801 PolarHBondContact O-OG 3.21Å; T1799-S1801 VanDerWaalsContact C-N 3.3Å; T1799-S1801 PolarHBondContact O-N 3.06Å; S1801-R1804 PolarHBondContact O-N 3.09Å; S1801-N1805 WeakPolarHBondContact O-CB 3.49Å; S1801-N1805 PolarHBondContact O-N 3.26Å; S1801-N1805 VanDerWaalsContact O-N 3.13Å; S1801-N1805 PolarHBondContact O-ND2 2.94Å |
| 1802 | R | 57 | Low | 63.6 | Low | 211.2 Ų | 211.2 | 86.2 Ų | 86.2 | 80% | 0.797 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 175.9 | -90.7 | -176.5 | 177.7 | 177.1 | -0.3 | 111.9 | T1800 R1804 N1805 T1806 | T1800-R1802 VanDerWaalsContact C-N 3.33Å; T1800-R1802 PolarHBondContact O-N 3.42Å; R1802-R1804 PolarHBondContact O-N 3.17Å; R1802-N1805 PolarHBondContact O-N 3.1Å; R1802-T1806 PolarHBondContact O-N 3.08Å; R1802-T1806 VanDerWaalsContact O-N 3.12Å; R1802-T1806 PolarHBondContact O-OG1 3.01Å; R1802-T1806 VanDerWaalsContact O-OG1 3.13Å |
| 1803 | S | 63.9 | Low | 65.5 | Low | 69 Ų | 69 | 82.2 Ų | 82.2 | 48% | 0.483 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 179.1 | 168.6 | 0 | 0 | 0 | 0 | 112.2 | T1800 N1805 T1806 E1807 | T1800-S1803 PolarHBondContact O-N 3.18Å; T1800-S1803 VanDerWaalsContact O-N 3.17Å; T1800-S1803 PolarHBondContact O-OG 2.99Å; S1803-N1805 VanDerWaalsContact C-N 3.33Å; S1803-N1805 PolarHBondContact O-N 2.91Å; S1803-T1806 WeakPolarHBondContact CA-OG1 3.37Å; S1803-T1806 PolarHBondContact O-N 3.35Å; S1803-T1806 PolarHBondContact O-OG1 3.19Å; S1803-E1807 WeakPolarHBondContact O-CB 3.32Å; S1803-E1807 VanDerWaalsContact O-CG 3.3Å; S1803-E1807 WeakPolarHBondContact O-CG 3.47Å; S1803-E1807 PolarHBondContact O-N 3.17Å; S1803-E1807 VanDerWaalsContact O-N 3.08Å; S1803-E1807 PolarHBondContact OG-OE1 3.32Å |
| 1804 | R | 68.5 | Low | 67.7 | Low | 144 Ų | 144 | 76.2 Ų | 76.2 | 54% | 0.543 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 176.9 | -73.8 | -176.8 | -89.2 | 167.7 | -7 | 112.2 | S1795 T1800 S1801 R1802 E1807 L1808 | S1795-R1804 PolarHBondContact O-NH2 3.29Å; S1795-R1804 PolarHBondContact OG-NH2 2.94Å; T1800-R1804 WeakPolarHBondContact O-CB 3.32Å; T1800-R1804 WeakPolarHBondContact O-CG 3.41Å; T1800-R1804 PolarHBondContact O-N 3.42Å; T1800-R1804 VanDerWaalsContact O-N 3.13Å; T1800-R1804 VanDerWaalsContact OG1-CZ 3.22Å; T1800-R1804 PolarHBondContact OG1-NE 3.01Å; T1800-R1804 PolarHBondContact OG1-NH2 3.37Å; S1801-R1804 PolarHBondContact O-N 3.09Å; R1802-R1804 PolarHBondContact O-N 3.17Å; R1804-E1807 PolarHBondContact O-N 3.17Å; R1804-L1808 WeakPolarHBondContact O-CB 3.25Å; R1804-L1808 PolarHBondContact O-N 3.02Å |
| 1805 | N | 71.1 | Confident | 69.8 | Low | 101.2 Ų | 101.2 | 69.2 Ų | 69.2 | 54% | 0.541 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.3 | -42.4 | 176.8 | -76.3 | -17.3 | 0 | 0 | 0 | 112.4 | S1801 R1802 S1803 E1807 L1808 C1809 | S1801-N1805 WeakPolarHBondContact O-CB 3.49Å; S1801-N1805 PolarHBondContact O-N 3.26Å; S1801-N1805 VanDerWaalsContact O-N 3.13Å; S1801-N1805 PolarHBondContact O-ND2 2.94Å; R1802-N1805 PolarHBondContact O-N 3.1Å; S1803-N1805 VanDerWaalsContact C-N 3.33Å; S1803-N1805 PolarHBondContact O-N 2.91Å; N1805-E1807 VanDerWaalsContact C-N 3.34Å; N1805-E1807 PolarHBondContact O-N 2.78Å; N1805-L1808 PolarHBondContact O-N 2.97Å; N1805-C1809 WeakPolarHBondContact O-CB 3.16Å; N1805-C1809 PolarHBondContact O-N 3.17Å; N1805-C1809 VanDerWaalsContact O-N 3.07Å; N1805-C1809 PolarHBondContact O-SG 3.24Å; N1805-C1809 VanDerWaalsContact O-SG 3.33Å |
| 1806 | T | 74.2 | Confident | 72.1 | Confident | 53.2 Ų | 53.2 | 67.6 Ų | 67.6 | 33% | 0.326 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 175.1 | 32.4 | 0 | 0 | 0 | 0 | 111.8 | S1738 L1739 K1740 R1802 S1803 L1808 C1809 G1810 | S1738-T1806 WeakPolarHBondContact O-CG2 3.42Å; L1739-T1806 HydrophobicContact CD2-CG2 4.3Å; K1740-T1806 HydrophobicContact CG-CG2 4.34Å; R1802-T1806 PolarHBondContact O-N 3.08Å; R1802-T1806 VanDerWaalsContact O-N 3.12Å; R1802-T1806 PolarHBondContact O-OG1 3.01Å; R1802-T1806 VanDerWaalsContact O-OG1 3.13Å; S1803-T1806 WeakPolarHBondContact CA-OG1 3.37Å; S1803-T1806 PolarHBondContact O-N 3.35Å; S1803-T1806 PolarHBondContact O-OG1 3.19Å; T1806-L1808 PolarHBondContact O-N 2.97Å; T1806-C1809 WeakPolarHBondContact O-CB 3.43Å; T1806-C1809 PolarHBondContact O-N 3.13Å; T1806-G1810 PolarHBondContact O-N 3.16Å |
| 1807 | E | 79.6 | Confident | 74.1 | Confident | 70 Ų | 70 | 61 Ų | 61 | 33% | 0.327 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 175.4 | -154.6 | -177.2 | 175.6 | 0 | 0 | 111.6 | S1803 R1804 N1805 C1809 G1810 K1811 | S1803-E1807 WeakPolarHBondContact O-CB 3.32Å; S1803-E1807 VanDerWaalsContact O-CG 3.3Å; S1803-E1807 WeakPolarHBondContact O-CG 3.47Å; S1803-E1807 PolarHBondContact O-N 3.17Å; S1803-E1807 VanDerWaalsContact O-N 3.08Å; S1803-E1807 PolarHBondContact OG-OE1 3.32Å; R1804-E1807 PolarHBondContact O-N 3.17Å; N1805-E1807 VanDerWaalsContact C-N 3.34Å; N1805-E1807 PolarHBondContact O-N 2.78Å; E1807-C1809 VanDerWaalsContact C-N 3.35Å; E1807-C1809 PolarHBondContact O-N 3.18Å; E1807-G1810 PolarHBondContact O-N 3.2Å; E1807-K1811 VanDerWaalsContact O-CG 3.27Å; E1807-K1811 WeakPolarHBondContact O-CG 3.38Å; E1807-K1811 PolarHBondContact O-N 3.03Å; E1807-K1811 VanDerWaalsContact OE1-CE 3.26Å; E1807-K1811 WeakPolarHBondContact OE1-CE 3.46Å; E1807-K1811 IonicContact OE1-NZ 3.4Å; E1807-K1811 PolarHBondContact OE1-NZ 3.21Å |
| 1808 | L | 83.4 | Confident | 76.2 | Confident | 50.8 Ų | 50.8 | 56.4 Ų | 56.4 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 175.2 | -177 | 68.5 | 0 | 0 | 0 | 111.8 | R1804 N1805 T1806 G1810 K1811 L1812 P2105 M2106 | R1804-L1808 WeakPolarHBondContact O-CB 3.25Å; R1804-L1808 PolarHBondContact O-N 3.02Å; N1805-L1808 PolarHBondContact O-N 2.97Å; T1806-L1808 PolarHBondContact O-N 2.97Å; L1808-G1810 PolarHBondContact O-N 3.05Å; L1808-K1811 PolarHBondContact O-N 3.33Å; L1808-L1812 HydrophobicContact CD1-CD1 4.45Å; L1808-L1812 HydrophobicContact CD1-CG 4.37Å; L1808-L1812 HydrophobicContact CD2-CD1 4.11Å; L1808-L1812 HydrophobicContact CG-CD1 4.08Å; L1808-L1812 HydrophobicContact CG-CG 4.42Å; L1808-L1812 WeakPolarHBondContact O-CB 3.25Å; L1808-L1812 VanDerWaalsContact O-CG 3.3Å; L1808-L1812 WeakPolarHBondContact O-CG 3.32Å; L1808-L1812 PolarHBondContact O-N 3.01Å; L1808-P2105 HydrophobicContact CD2-CB 4.47Å; L1808-P2105 HydrophobicContact CD2-CG 4.35Å; L1808-M2106 HydrophobicContact CD1-CE 4.26Å |
| 1809 | C | 82.6 | Confident | 78 | Confident | 60.4 Ų | 60.4 | 51.3 Ų | 51.3 | 41% | 0.408 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 177 | -86.3 | 0 | 0 | 0 | 0 | 111.8 | K1740 N1805 T1806 E1807 K1811 L1812 L1813 | K1740-C1809 WeakPolarHBondContact CE-SG 3.06Å; N1805-C1809 WeakPolarHBondContact O-CB 3.16Å; N1805-C1809 PolarHBondContact O-N 3.17Å; N1805-C1809 VanDerWaalsContact O-N 3.07Å; N1805-C1809 PolarHBondContact O-SG 3.24Å; N1805-C1809 VanDerWaalsContact O-SG 3.33Å; T1806-C1809 WeakPolarHBondContact O-CB 3.43Å; T1806-C1809 PolarHBondContact O-N 3.13Å; E1807-C1809 VanDerWaalsContact C-N 3.35Å; E1807-C1809 PolarHBondContact O-N 3.18Å; C1809-K1811 VanDerWaalsContact C-N 3.34Å; C1809-K1811 PolarHBondContact O-N 3.32Å; C1809-L1812 PolarHBondContact O-N 2.96Å; C1809-L1813 WeakPolarHBondContact O-CB 3.34Å; C1809-L1813 PolarHBondContact O-N 3.2Å |
| 1810 | G | 84.6 | Confident | 79.9 | Confident | 5.4 Ų | 5.4 | 47.8 Ų | 47.8 | 6% | 0.056 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.8 | -43.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1734 T1806 E1807 L1808 L1813 A1814 | F1734-G1810 WeakPolarHBondContact CZ-O 3.4Å; T1806-G1810 PolarHBondContact O-N 3.16Å; E1807-G1810 PolarHBondContact O-N 3.2Å; L1808-G1810 PolarHBondContact O-N 3.05Å; G1810-L1813 WeakPolarHBondContact O-CB 3.44Å; G1810-L1813 PolarHBondContact O-N 3.06Å; G1810-A1814 WeakPolarHBondContact O-CB 3.33Å; G1810-A1814 PolarHBondContact O-N 3.22Å |
| 1811 | K | 87.3 | Confident | 81.6 | Confident | 20.2 Ų | 20.2 | 46.4 Ų | 46.4 | 9% | 0.088 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.8 | -42 | 176.2 | -69 | 175.3 | -176.3 | 171.6 | 0 | 112.6 | L1785 T1788 E1807 L1808 C1809 L1813 A1814 V1815 M2106 | L1785-K1811 HydrophobicContact CD2-CB 4.12Å; L1785-K1811 HydrophobicContact CD2-CG 4.43Å; L1785-K1811 WeakPolarHBondContact CD2-O 3.29Å; T1788-K1811 VanDerWaalsContact CB-NZ 3.33Å; T1788-K1811 VanDerWaalsContact CG2-NZ 3.33Å; T1788-K1811 VanDerWaalsContact OG1-CE 3.29Å; T1788-K1811 WeakPolarHBondContact OG1-CE 3.34Å; T1788-K1811 PolarHBondContact OG1-NZ 3.08Å; E1807-K1811 VanDerWaalsContact O-CG 3.27Å; E1807-K1811 WeakPolarHBondContact O-CG 3.38Å; E1807-K1811 PolarHBondContact O-N 3.03Å; E1807-K1811 VanDerWaalsContact OE1-CE 3.26Å; E1807-K1811 WeakPolarHBondContact OE1-CE 3.46Å; E1807-K1811 IonicContact OE1-NZ 3.4Å; E1807-K1811 PolarHBondContact OE1-NZ 3.21Å; L1808-K1811 PolarHBondContact O-N 3.33Å; C1809-K1811 VanDerWaalsContact C-N 3.34Å; C1809-K1811 PolarHBondContact O-N 3.32Å; K1811-L1813 VanDerWaalsContact C-N 3.31Å; K1811-L1813 PolarHBondContact O-N 3.08Å; K1811-A1814 WeakPolarHBondContact O-CB 3.46Å; K1811-A1814 PolarHBondContact O-N 3.16Å; K1811-A1814 VanDerWaalsContact O-N 3.12Å; K1811-V1815 WeakPolarHBondContact O-CG2 3.31Å; K1811-V1815 PolarHBondContact O-N 3.28Å; K1811-M2106 HydrophobicContact CB-CE 3.47Å; K1811-M2106 VanDerWaalsContact CB-CE 3.47Å; K1811-M2106 HydrophobicContact CD-CE 4.39Å; K1811-M2106 HydrophobicContact CG-CE 4.46Å |
| 1812 | L | 89.5 | Confident | 83.3 | Confident | 39 Ų | 39 | 43.6 Ų | 43.6 | 20% | 0.204 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.6 | -39.8 | 176.9 | -71.8 | 171.3 | 0 | 0 | 0 | 111.9 | L1808 C1809 A1814 V1815 D1816 P2105 M2106 K2109 | L1808-L1812 HydrophobicContact CD1-CD1 4.45Å; L1808-L1812 HydrophobicContact CD1-CG 4.37Å; L1808-L1812 HydrophobicContact CD2-CD1 4.11Å; L1808-L1812 HydrophobicContact CG-CD1 4.08Å; L1808-L1812 HydrophobicContact CG-CG 4.42Å; L1808-L1812 WeakPolarHBondContact O-CB 3.25Å; L1808-L1812 VanDerWaalsContact O-CG 3.3Å; L1808-L1812 WeakPolarHBondContact O-CG 3.32Å; L1808-L1812 PolarHBondContact O-N 3.01Å; C1809-L1812 PolarHBondContact O-N 2.96Å; L1812-A1814 VanDerWaalsContact C-N 3.33Å; L1812-V1815 PolarHBondContact O-N 3.27Å; L1812-D1816 PolarHBondContact O-N 3.08Å; L1812-D1816 VanDerWaalsContact O-N 3.16Å; L1812-P2105 HydrophobicContact CD1-CB 4.4Å; L1812-P2105 HydrophobicContact CD2-CB 4.22Å; L1812-M2106 HydrophobicContact CD2-CE 4.32Å; L1812-M2106 HydrophobicContact CD2-SD 4.36Å; L1812-K2109 HydrophobicContact CD2-CB 3.87Å; L1812-K2109 HydrophobicContact CD2-CG 3.96Å |
| 1813 | L | 88.8 | Confident | 84.8 | Confident | 7.4 Ų | 7.4 | 34.2 Ų | 34.2 | 4% | 0.039 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 171.5 | 178.5 | 68.9 | 0 | 0 | 0 | 111.5 | F1734 V1737 R1746 C1809 G1810 K1811 V1815 D1816 T1817 | F1734-L1813 HydrophobicContact CD2-CD2 4.41Å; F1734-L1813 HydrophobicContact CE2-CD2 4.02Å; F1734-L1813 HydrophobicContact CE2-CG 4.33Å; V1737-L1813 HydrophobicContact CB-CD2 4.13Å; V1737-L1813 HydrophobicContact CG1-CD2 3.44Å; V1737-L1813 VanDerWaalsContact CG1-CD2 3.43Å; R1746-L1813 HydrophobicContact CG-CD1 4.03Å; C1809-L1813 WeakPolarHBondContact O-CB 3.34Å; C1809-L1813 PolarHBondContact O-N 3.2Å; G1810-L1813 WeakPolarHBondContact O-CB 3.44Å; G1810-L1813 PolarHBondContact O-N 3.06Å; K1811-L1813 VanDerWaalsContact C-N 3.31Å; K1811-L1813 PolarHBondContact O-N 3.08Å; L1813-V1815 VanDerWaalsContact C-N 3.32Å; L1813-V1815 PolarHBondContact O-N 3.26Å; L1813-D1816 WeakPolarHBondContact O-CB 3.38Å; L1813-D1816 PolarHBondContact O-N 3.28Å; L1813-T1817 HydrophobicContact CD1-CG2 4.1Å; L1813-T1817 HydrophobicContact CG-CG2 4.31Å; L1813-T1817 WeakPolarHBondContact O-CB 3.35Å; L1813-T1817 WeakPolarHBondContact O-CG2 3.43Å; L1813-T1817 PolarHBondContact O-N 3.1Å; L1813-T1817 PolarHBondContact O-OG1 3.23Å; L1813-T1817 VanDerWaalsContact O-OG1 3.11Å |
| 1814 | A | 90.9 | Very high | 86 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1734 L1781 Q1784 L1785 G1810 K1811 L1812 T1817 L1818 | F1734-A1814 HydrophobicContact CE2-CB 4.27Å; F1734-A1814 HydrophobicContact CZ-CB 4.04Å; L1781-A1814 HydrophobicContact CD2-CB 3.77Å; Q1784-A1814 HydrophobicContact CB-CB 4.43Å; L1785-A1814 HydrophobicContact CD1-CB 4.24Å; L1785-A1814 HydrophobicContact CD2-CB 3.95Å; L1785-A1814 HydrophobicContact CG-CB 3.97Å; G1810-A1814 WeakPolarHBondContact O-CB 3.33Å; G1810-A1814 PolarHBondContact O-N 3.22Å; K1811-A1814 WeakPolarHBondContact O-CB 3.46Å; K1811-A1814 PolarHBondContact O-N 3.16Å; K1811-A1814 VanDerWaalsContact O-N 3.12Å; L1812-A1814 VanDerWaalsContact C-N 3.33Å; A1814-T1817 WeakPolarHBondContact CA-OG1 3.28Å; A1814-T1817 PolarHBondContact O-N 3.06Å; A1814-T1817 PolarHBondContact O-OG1 3.14Å; A1814-L1818 VanDerWaalsContact O-CB 3.26Å; A1814-L1818 WeakPolarHBondContact O-CB 3.36Å; A1814-L1818 PolarHBondContact O-N 3.31Å |
| 1815 | V | 90.9 | Very high | 86.9 | Confident | 0.2 Ų | 0.2 | 24.8 Ų | 24.8 | 0% | 0.001 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.8 | -42.5 | 175.6 | 179.2 | 0 | 0 | 0 | 0 | 112.2 | L1785 K1811 L1812 L1813 T1817 L1818 A1819 L2098 M2106 K2109 C2113 | L1785-V1815 HydrophobicContact CD1-CG2 4.25Å; L1785-V1815 HydrophobicContact CD2-CG2 3.53Å; L1785-V1815 VanDerWaalsContact CD2-CG2 3.48Å; K1811-V1815 WeakPolarHBondContact O-CG2 3.31Å; K1811-V1815 PolarHBondContact O-N 3.28Å; L1812-V1815 PolarHBondContact O-N 3.27Å; L1813-V1815 VanDerWaalsContact C-N 3.32Å; L1813-V1815 PolarHBondContact O-N 3.26Å; V1815-T1817 VanDerWaalsContact C-N 3.3Å; V1815-T1817 PolarHBondContact O-N 3.18Å; V1815-L1818 PolarHBondContact O-N 3.33Å; V1815-A1819 WeakPolarHBondContact O-CB 3.38Å; V1815-A1819 PolarHBondContact O-N 2.97Å; V1815-L2098 HydrophobicContact CG1-CD1 4.45Å; V1815-L2098 HydrophobicContact CG2-CD1 3.61Å; V1815-M2106 HydrophobicContact CG2-SD 3.46Å; V1815-M2106 WeakPolarHBondContact CG2-SD 3.41Å; V1815-K2109 HydrophobicContact CB-CG 4.47Å; V1815-K2109 HydrophobicContact CG1-CG 4.22Å; V1815-C2113 HydrophobicContact CG1-CB 4.42Å |
| 1816 | D | 90.5 | Very high | 87.5 | Confident | 30.4 Ų | 30.4 | 22.4 Ų | 22.4 | 16% | 0.163 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 176.4 | -85.1 | -29.7 | 0 | 0 | 0 | 112.3 | R1746 L1812 L1813 L1818 A1819 S1820 K2109 | R1746-D1816 IonicContact CZ-OD2 3.18Å; R1746-D1816 IonicContact NH2-OD2 3.28Å; R1746-D1816 PolarHBondContact NH2-OD2 3.2Å; L1812-D1816 PolarHBondContact O-N 3.08Å; L1812-D1816 VanDerWaalsContact O-N 3.16Å; L1813-D1816 WeakPolarHBondContact O-CB 3.38Å; L1813-D1816 PolarHBondContact O-N 3.28Å; D1816-L1818 VanDerWaalsContact C-N 3.34Å; D1816-A1819 WeakPolarHBondContact O-CB 3.38Å; D1816-A1819 PolarHBondContact O-N 3Å; D1816-S1820 PolarHBondContact O-N 3.08Å; D1816-S1820 PolarHBondContact O-OG 3.44Å; D1816-K2109 WeakPolarHBondContact OD1-CE 3.37Å; D1816-K2109 IonicContact OD1-NZ 3.38Å; D1816-K2109 PolarHBondContact OD1-NZ 3.17Å; D1816-K2109 WeakPolarHBondContact OD2-CE 3.33Å; D1816-K2109 IonicContact OD2-NZ 2.66Å; D1816-K2109 PolarHBondContact OD2-NZ 3.03Å |
| 1817 | T | 91.5 | Very high | 87.9 | Confident | 2.8 Ų | 2.8 | 27 Ų | 27 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -76.3 | -31.6 | -175.5 | 55.4 | 0 | 0 | 0 | 0 | 111.4 | W1749 L1781 L1813 A1814 V1815 A1819 S1820 L1821 | W1749-T1817 VanDerWaalsContact CD1-CG2 3.41Å; L1781-T1817 WeakPolarHBondContact CD1-OG1 3.38Å; L1781-T1817 WeakPolarHBondContact CD2-OG1 3.4Å; L1813-T1817 HydrophobicContact CD1-CG2 4.1Å; L1813-T1817 HydrophobicContact CG-CG2 4.31Å; L1813-T1817 WeakPolarHBondContact O-CB 3.35Å; L1813-T1817 WeakPolarHBondContact O-CG2 3.43Å; L1813-T1817 PolarHBondContact O-N 3.1Å; L1813-T1817 PolarHBondContact O-OG1 3.23Å; L1813-T1817 VanDerWaalsContact O-OG1 3.11Å; A1814-T1817 WeakPolarHBondContact CA-OG1 3.28Å; A1814-T1817 PolarHBondContact O-N 3.06Å; A1814-T1817 PolarHBondContact O-OG1 3.14Å; V1815-T1817 VanDerWaalsContact C-N 3.3Å; V1815-T1817 PolarHBondContact O-N 3.18Å; T1817-A1819 VanDerWaalsContact C-N 3.34Å; T1817-S1820 WeakPolarHBondContact CA-OG 3.4Å; T1817-S1820 PolarHBondContact O-N 3.04Å; T1817-S1820 PolarHBondContact O-OG 2.98Å; T1817-L1821 VanDerWaalsContact O-CB 3.27Å; T1817-L1821 WeakPolarHBondContact O-CB 3.28Å; T1817-L1821 PolarHBondContact O-N 3.29Å |
| 1818 | L | 91.7 | Very high | 87.9 | Confident | 0.2 Ų | 0.2 | 24 Ų | 24 | 0% | 0.001 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 168.2 | -170.9 | 98.5 | 0 | 0 | 0 | 111.2 | L1781 I1782 L1785 A1814 V1815 D1816 L1821 I1822 L2091 F2094 I2095 | L1781-L1818 HydrophobicContact CB-CD1 4.37Å; L1781-L1818 HydrophobicContact CD1-CB 4.25Å; I1782-L1818 HydrophobicContact CG1-CD1 4.5Å; L1785-L1818 HydrophobicContact CD1-CD1 3.86Å; L1785-L1818 HydrophobicContact CD1-CD2 4.1Å; A1814-L1818 VanDerWaalsContact O-CB 3.26Å; A1814-L1818 WeakPolarHBondContact O-CB 3.36Å; A1814-L1818 PolarHBondContact O-N 3.31Å; V1815-L1818 PolarHBondContact O-N 3.33Å; D1816-L1818 VanDerWaalsContact C-N 3.34Å; L1818-L1821 WeakPolarHBondContact O-CB 3.38Å; L1818-L1821 PolarHBondContact O-N 3.28Å; L1818-I1822 HydrophobicContact CD1-CD1 4.39Å; L1818-I1822 HydrophobicContact CD2-CD1 3.49Å; L1818-I1822 VanDerWaalsContact CD2-CD1 3.48Å; L1818-I1822 HydrophobicContact CD2-CG1 4.08Å; L1818-I1822 HydrophobicContact CG-CD1 4.13Å; L1818-I1822 WeakPolarHBondContact O-CB 3.47Å; L1818-I1822 WeakPolarHBondContact O-CD1 3.32Å; L1818-I1822 VanDerWaalsContact O-CG1 3.31Å; L1818-I1822 WeakPolarHBondContact O-CG1 3.33Å; L1818-I1822 PolarHBondContact O-N 3.17Å; L1818-L2091 HydrophobicContact CD1-CB 3.98Å; L1818-L2091 HydrophobicContact CD1-CD1 4.16Å; L1818-L2091 HydrophobicContact CD1-CD2 3.87Å; L1818-L2091 HydrophobicContact CD1-CG 4.11Å; L1818-L2091 HydrophobicContact CD2-CB 4.12Å; L1818-L2091 HydrophobicContact CD2-CD2 4.45Å; L1818-L2091 HydrophobicContact CG-CD2 4.13Å; L1818-F2094 HydrophobicContact CD1-CD1 4.41Å; L1818-F2094 HydrophobicContact CD2-CD1 4.11Å; L1818-I2095 HydrophobicContact CD2-CD1 3.8Å; L1818-I2095 VanDerWaalsContact CD2-CD1 3.48Å; L1818-I2095 HydrophobicContact CD2-CG1 3.48Å; L1818-I2095 HydrophobicContact CG-CD1 4.05Å; L1818-I2095 HydrophobicContact CG-CG1 4.09Å |
| 1819 | A | 91.2 | Very high | 87.7 | Confident | 4 Ų | 4 | 21.9 Ų | 21.9 | 3% | 0.033 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.5 | -45 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1815 D1816 T1817 L1821 I1822 V1823 I2095 C2113 | V1815-A1819 WeakPolarHBondContact O-CB 3.38Å; V1815-A1819 PolarHBondContact O-N 2.97Å; D1816-A1819 WeakPolarHBondContact O-CB 3.38Å; D1816-A1819 PolarHBondContact O-N 3Å; T1817-A1819 VanDerWaalsContact C-N 3.34Å; A1819-L1821 VanDerWaalsContact C-N 3.3Å; A1819-L1821 PolarHBondContact O-N 3.28Å; A1819-I1822 PolarHBondContact O-N 2.95Å; A1819-V1823 WeakPolarHBondContact O-CB 3.38Å; A1819-V1823 WeakPolarHBondContact O-CG2 3.36Å; A1819-V1823 PolarHBondContact O-N 3.08Å; A1819-I2095 HydrophobicContact CB-CD1 4.21Å; A1819-C2113 HydrophobicContact CB-CB 3.54Å; A1819-C2113 VanDerWaalsContact CB-SG 3.57Å |
| 1820 | S | 91.5 | Very high | 87.4 | Confident | 45.4 Ų | 45.4 | 26.4 Ų | 26.4 | 32% | 0.317 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 175.2 | -112.7 | 0 | 0 | 0 | 0 | 111.6 | N1754 D1816 T1817 V1823 G1824 | N1754-S1820 PolarHBondContact OD1-OG 3.37Å; D1816-S1820 PolarHBondContact O-N 3.08Å; D1816-S1820 PolarHBondContact O-OG 3.44Å; T1817-S1820 WeakPolarHBondContact CA-OG 3.4Å; T1817-S1820 PolarHBondContact O-N 3.04Å; T1817-S1820 PolarHBondContact O-OG 2.98Å; S1820-V1823 PolarHBondContact O-N 3.38Å; S1820-G1824 PolarHBondContact O-N 3.08Å |
| 1821 | L | 91.6 | Very high | 86.8 | Confident | 0.4 Ų | 0.4 | 30.1 Ų | 30.1 | 0% | 0.002 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.3 | -49.9 | 174.2 | -177.4 | 67.7 | 0 | 0 | 0 | 111.6 | L1757 L1774 T1817 L1818 A1819 V1823 G1824 L1825 P2086 L2091 | L1757-L1821 HydrophobicContact CD2-CD1 4.08Å; L1757-L1821 HydrophobicContact CG-CD1 4.46Å; L1774-L1821 HydrophobicContact CD2-CD1 3.79Å; T1817-L1821 VanDerWaalsContact O-CB 3.27Å; T1817-L1821 WeakPolarHBondContact O-CB 3.28Å; T1817-L1821 PolarHBondContact O-N 3.29Å; L1818-L1821 WeakPolarHBondContact O-CB 3.38Å; L1818-L1821 PolarHBondContact O-N 3.28Å; A1819-L1821 VanDerWaalsContact C-N 3.3Å; A1819-L1821 PolarHBondContact O-N 3.28Å; L1821-V1823 PolarHBondContact O-N 2.88Å; L1821-G1824 PolarHBondContact O-N 3.06Å; L1821-L1825 HydrophobicContact CD1-CD1 4.16Å; L1821-L1825 HydrophobicContact CD1-CG 4.27Å; L1821-L1825 HydrophobicContact CG-CD1 3.92Å; L1821-L1825 HydrophobicContact CG-CG 4.42Å; L1821-L1825 WeakPolarHBondContact O-CB 3.38Å; L1821-L1825 WeakPolarHBondContact O-CD1 3.27Å; L1821-L1825 VanDerWaalsContact O-CG 3.22Å; L1821-L1825 WeakPolarHBondContact O-CG 3.23Å; L1821-L1825 PolarHBondContact O-N 3.18Å; L1821-P2086 HydrophobicContact CD2-CB 4.48Å; L1821-P2086 HydrophobicContact CD2-CG 4.26Å; L1821-L2091 HydrophobicContact CD2-CD1 3.8Å; L1821-L2091 HydrophobicContact CG-CD1 4.35Å |
| 1822 | I | 89.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.1 | -48.1 | 178.6 | -71.4 | 171 | 0 | 0 | 0 | 111.3 | L1818 A1819 G1824 L1825 K1826 F2088 L2091 I2095 V2117 | L1818-I1822 HydrophobicContact CD1-CD1 4.39Å; L1818-I1822 HydrophobicContact CD2-CD1 3.49Å; L1818-I1822 VanDerWaalsContact CD2-CD1 3.48Å; L1818-I1822 HydrophobicContact CD2-CG1 4.08Å; L1818-I1822 HydrophobicContact CG-CD1 4.13Å; L1818-I1822 WeakPolarHBondContact O-CB 3.47Å; L1818-I1822 WeakPolarHBondContact O-CD1 3.32Å; L1818-I1822 VanDerWaalsContact O-CG1 3.31Å; L1818-I1822 WeakPolarHBondContact O-CG1 3.33Å; L1818-I1822 PolarHBondContact O-N 3.17Å; A1819-I1822 PolarHBondContact O-N 2.95Å; I1822-G1824 VanDerWaalsContact C-N 3.34Å; I1822-G1824 PolarHBondContact O-N 3.17Å; I1822-L1825 PolarHBondContact O-N 2.88Å; I1822-K1826 WeakPolarHBondContact O-CB 3.39Å; I1822-K1826 PolarHBondContact O-N 3.09Å; I1822-K1826 VanDerWaalsContact O-N 3.11Å; I1822-F2088 HydrophobicContact CG2-CD2 3.83Å; I1822-F2088 HydrophobicContact CG2-CE2 3.34Å; I1822-F2088 HydrophobicContact CG2-CZ 4.16Å; I1822-L2091 HydrophobicContact CD1-CB 3.74Å; I1822-L2091 HydrophobicContact CG1-CB 3.69Å; I1822-L2091 HydrophobicContact CG1-CD1 4.16Å; I1822-I2095 HydrophobicContact CD1-CD1 3.46Å; I1822-I2095 HydrophobicContact CD1-CG1 4.04Å; I1822-V2117 HydrophobicContact CB-CG2 4.34Å; I1822-V2117 HydrophobicContact CG2-CG1 3.92Å; I1822-V2117 HydrophobicContact CG2-CG2 3.76Å |
| 1823 | V | 89.2 | Confident | 84.8 | Confident | 14 Ų | 14 | 35.5 Ų | 35.5 | 9% | 0.085 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.2 | -45 | 178.4 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | A1819 S1820 L1821 K1826 R1827 V2117 A2120 | A1819-V1823 WeakPolarHBondContact O-CB 3.38Å; A1819-V1823 WeakPolarHBondContact O-CG2 3.36Å; A1819-V1823 PolarHBondContact O-N 3.08Å; S1820-V1823 PolarHBondContact O-N 3.38Å; L1821-V1823 PolarHBondContact O-N 2.88Å; V1823-K1826 PolarHBondContact O-N 3.16Å; V1823-R1827 HydrophobicContact CG1-CG 4.41Å; V1823-R1827 VanDerWaalsContact CG1-CZ 3.44Å; V1823-R1827 WeakPolarHBondContact O-CB 3.34Å; V1823-R1827 VanDerWaalsContact O-CG 3.3Å; V1823-R1827 WeakPolarHBondContact O-CG 3.35Å; V1823-R1827 PolarHBondContact O-N 3.15Å; V1823-V2117 HydrophobicContact CG2-CB 4.47Å; V1823-V2117 HydrophobicContact CG2-CG2 3.91Å; V1823-A2120 HydrophobicContact CG1-CB 4.04Å; V1823-A2120 HydrophobicContact CG2-CB 4.41Å |
| 1824 | G | 87.6 | Confident | 83.5 | Confident | 15.6 Ų | 15.6 | 36.4 Ų | 36.4 | 16% | 0.161 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.1 | -47.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1820 L1821 I1822 K1826 R1827 G1828 | S1820-G1824 PolarHBondContact O-N 3.08Å; L1821-G1824 PolarHBondContact O-N 3.06Å; I1822-G1824 VanDerWaalsContact C-N 3.34Å; I1822-G1824 PolarHBondContact O-N 3.17Å; G1824-K1826 VanDerWaalsContact C-N 3.31Å; G1824-K1826 PolarHBondContact O-N 3.03Å; G1824-R1827 PolarHBondContact O-N 3.05Å; G1824-G1828 PolarHBondContact O-N 3.14Å |
| 1825 | L | 87.6 | Confident | 81.9 | Confident | 0.4 Ų | 0.4 | 43.4 Ų | 43.4 | 0% | 0.002 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.6 | -43.7 | 176.1 | -73 | 170.5 | 0 | 0 | 0 | 111.3 | L1757 F1761 L1774 L1821 I1822 G1828 A1829 L1836 L2085 P2086 L2091 | L1757-L1825 HydrophobicContact CD2-CD2 4.27Å; L1757-L1825 HydrophobicContact CD2-CG 4.14Å; F1761-L1825 HydrophobicContact CE2-CD2 4.34Å; F1761-L1825 HydrophobicContact CZ-CD2 4.21Å; L1774-L1825 HydrophobicContact CD1-CD2 4.39Å; L1821-L1825 HydrophobicContact CD1-CD1 4.16Å; L1821-L1825 HydrophobicContact CD1-CG 4.27Å; L1821-L1825 HydrophobicContact CG-CD1 3.92Å; L1821-L1825 HydrophobicContact CG-CG 4.42Å; L1821-L1825 WeakPolarHBondContact O-CB 3.38Å; L1821-L1825 WeakPolarHBondContact O-CD1 3.27Å; L1821-L1825 VanDerWaalsContact O-CG 3.22Å; L1821-L1825 WeakPolarHBondContact O-CG 3.23Å; L1821-L1825 PolarHBondContact O-N 3.18Å; I1822-L1825 PolarHBondContact O-N 2.88Å; L1825-G1828 PolarHBondContact O-N 3.5Å; L1825-A1829 VanDerWaalsContact O-CB 3.26Å; L1825-A1829 WeakPolarHBondContact O-CB 3.36Å; L1825-A1829 PolarHBondContact O-N 2.96Å; L1825-L1836 HydrophobicContact CB-CD2 4.44Å; L1825-L2085 HydrophobicContact CD2-CD2 3.98Å; L1825-P2086 HydrophobicContact CD1-CB 3.9Å; L1825-P2086 HydrophobicContact CD1-CG 3.92Å; L1825-L2091 HydrophobicContact CD1-CD1 4.21Å |
| 1826 | K | 83.7 | Confident | 80.1 | Confident | 50.4 Ų | 50.4 | 44.8 Ų | 44.8 | 22% | 0.219 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69 | -40.7 | 179.7 | -166.9 | 126.6 | -166.8 | -175.9 | 0 | 112.6 | I1822 V1823 G1824 K1830 F2088 D2121 L2124 | I1822-K1826 WeakPolarHBondContact O-CB 3.39Å; I1822-K1826 PolarHBondContact O-N 3.09Å; I1822-K1826 VanDerWaalsContact O-N 3.11Å; V1823-K1826 PolarHBondContact O-N 3.16Å; G1824-K1826 VanDerWaalsContact C-N 3.31Å; G1824-K1826 PolarHBondContact O-N 3.03Å; K1826-K1830 VanDerWaalsContact O-CB 3.3Å; K1826-K1830 WeakPolarHBondContact O-CB 3.38Å; K1826-K1830 PolarHBondContact O-N 3.19Å; K1826-F2088 HydrophobicContact CB-CE2 4.32Å; K1826-F2088 HydrophobicContact CD-CD2 4.38Å; K1826-F2088 HydrophobicContact CD-CE2 3.86Å; K1826-F2088 HydrophobicContact CD-CZ 4.19Å; K1826-F2088 HydrophobicContact CG-CE2 4.47Å; K1826-D2121 HydrophobicContact CD-CB 3.73Å; K1826-D2121 WeakPolarHBondContact CE-OD2 3.27Å; K1826-D2121 HydrophobicContact CG-CB 4.34Å; K1826-D2121 VanDerWaalsContact NZ-CG 3.32Å; K1826-D2121 IonicContact NZ-OD2 3.34Å; K1826-D2121 PolarHBondContact NZ-OD2 3.13Å; K1826-L2124 VanDerWaalsContact NZ-CD2 3.33Å; K1826-L2124 VanDerWaalsContact NZ-CG 3.33Å |
| 1827 | R | 83.1 | Confident | 78 | Confident | 149 Ų | 149 | 45.2 Ų | 45.2 | 56% | 0.562 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -61.8 | -49 | 174.2 | -75.8 | 176.5 | -178.8 | 174.1 | 1.7 | 110.9 | V1823 G1824 A1829 K1830 V1831 | V1823-R1827 HydrophobicContact CG1-CG 4.41Å; V1823-R1827 VanDerWaalsContact CG1-CZ 3.44Å; V1823-R1827 WeakPolarHBondContact O-CB 3.34Å; V1823-R1827 VanDerWaalsContact O-CG 3.3Å; V1823-R1827 WeakPolarHBondContact O-CG 3.35Å; V1823-R1827 PolarHBondContact O-N 3.15Å; G1824-R1827 PolarHBondContact O-N 3.05Å; R1827-A1829 PolarHBondContact O-N 3.17Å; R1827-K1830 PolarHBondContact O-N 3.18Å; R1827-V1831 WeakPolarHBondContact O-CG2 3.41Å; R1827-V1831 PolarHBondContact O-N 3.14Å; R1827-V1831 VanDerWaalsContact O-N 3.13Å |
| 1828 | G | 79.4 | Confident | 75.5 | Confident | 8.6 Ų | 8.6 | 47.1 Ų | 47.1 | 9% | 0.089 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G1824 L1825 K1830 V1831 Y1832 | G1824-G1828 PolarHBondContact O-N 3.14Å; L1825-G1828 PolarHBondContact O-N 3.5Å; G1828-K1830 VanDerWaalsContact C-N 3.33Å; G1828-K1830 PolarHBondContact O-N 3.13Å; G1828-V1831 PolarHBondContact O-N 3.08Å; G1828-Y1832 WeakPolarHBondContact O-CD2 3.34Å; G1828-Y1832 PolarHBondContact O-N 3.17Å |
| 1829 | A | 79.1 | Confident | 73 | Confident | 6.8 Ų | 6.8 | 49.5 Ų | 49.5 | 6% | 0.056 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1825 R1827 V1831 Y1832 N1833 L1834 L1836 | L1825-A1829 VanDerWaalsContact O-CB 3.26Å; L1825-A1829 WeakPolarHBondContact O-CB 3.36Å; L1825-A1829 PolarHBondContact O-N 2.96Å; R1827-A1829 PolarHBondContact O-N 3.17Å; A1829-V1831 VanDerWaalsContact C-N 3.35Å; A1829-V1831 PolarHBondContact O-N 3.28Å; A1829-Y1832 CarbonylContact O-C 3.55Å; A1829-Y1832 PolarHBondContact O-N 3.27Å; A1829-N1833 WeakPolarHBondContact O-CA 3.49Å; A1829-N1833 PolarHBondContact O-N 3.15Å; A1829-N1833 VanDerWaalsContact O-N 3.13Å; A1829-L1834 HydrophobicContact CB-CB 4.1Å; A1829-L1834 PolarHBondContact O-N 3.19Å; A1829-L1836 HydrophobicContact CB-CD1 3.31Å; A1829-L1836 VanDerWaalsContact CB-CD1 3.43Å; A1829-L1836 HydrophobicContact CB-CG 3.85Å |
| 1830 | K | 77.1 | Confident | 70.1 | Confident | 154.8 Ų | 154.8 | 53.3 Ų | 53.3 | 67% | 0.673 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.1 | -36.9 | 176.7 | -174 | -179 | 178.3 | -175.5 | 0 | 112.7 | K1826 R1827 G1828 Y1832 N1833 | K1826-K1830 VanDerWaalsContact O-CB 3.3Å; K1826-K1830 WeakPolarHBondContact O-CB 3.38Å; K1826-K1830 PolarHBondContact O-N 3.19Å; R1827-K1830 PolarHBondContact O-N 3.18Å; G1828-K1830 VanDerWaalsContact C-N 3.33Å; G1828-K1830 PolarHBondContact O-N 3.13Å; K1830-Y1832 VanDerWaalsContact C-N 3.33Å; K1830-Y1832 PolarHBondContact O-N 3.1Å; K1830-N1833 PolarHBondContact O-N 3.23Å |
| 1831 | V | 71.6 | Confident | 67.4 | Low | 82.2 Ų | 82.2 | 58.6 Ų | 58.6 | 50% | 0.498 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.5 | -37.5 | 178.4 | 170 | 0 | 0 | 0 | 0 | 111.4 | R1827 G1828 A1829 | R1827-V1831 WeakPolarHBondContact O-CG2 3.41Å; R1827-V1831 PolarHBondContact O-N 3.14Å; R1827-V1831 VanDerWaalsContact O-N 3.13Å; G1828-V1831 PolarHBondContact O-N 3.08Å; A1829-V1831 VanDerWaalsContact C-N 3.35Å; A1829-V1831 PolarHBondContact O-N 3.28Å |
| 1832 | Y | 69.4 | Low | 64.6 | Low | 27.6 Ų | 27.6 | 65.1 Ų | 65.1 | 11% | 0.108 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 11.8 | -176.1 | -62.1 | -75.4 | 0 | 0 | 0 | 114.4 | S1619 Y1622 F1761 H1762 G1828 A1829 K1830 L1834 H2072 V2076 | S1619-Y1832 WeakPolarHBondContact CB-OH 3.32Å; Y1622-Y1832 HydrophobicContact CD1-CD1 4.49Å; Y1622-Y1832 AromaticContact CD1-CE1 3.92Å; Y1622-Y1832 HydrophobicContact CD1-CE1 4.01Å; Y1622-Y1832 HydrophobicContact CE1-CD1 4.32Å; Y1622-Y1832 AromaticContact CE1-CE1 3.95Å; Y1622-Y1832 HydrophobicContact CE1-CE1 4.08Å; Y1622-Y1832 HydrophobicContact CG-CE1 4.41Å; F1761-Y1832 HydrophobicContact CB-CE2 4.07Å; F1761-Y1832 HydrophobicContact CD1-CD2 4.38Å; F1761-Y1832 HydrophobicContact CD1-CE2 4.49Å; F1761-Y1832 WeakPolarHBondContact O-CE2 3.17Å; F1761-Y1832 PolarHBondContact O-OH 3.45Å; H1762-Y1832 PolarHBondContact ND1-OH 3.48Å; G1828-Y1832 WeakPolarHBondContact O-CD2 3.34Å; G1828-Y1832 PolarHBondContact O-N 3.17Å; A1829-Y1832 CarbonylContact O-C 3.55Å; A1829-Y1832 PolarHBondContact O-N 3.27Å; K1830-Y1832 VanDerWaalsContact C-N 3.33Å; K1830-Y1832 PolarHBondContact O-N 3.1Å; Y1832-L1834 PolarHBondContact O-N 3.06Å; Y1832-L1834 VanDerWaalsContact O-N 3.16Å; Y1832-H2072 AromaticContact CE1-NE2 3.26Å; Y1832-H2072 VanDerWaalsContact CE1-NE2 3.27Å; Y1832-H2072 WeakPolarHBondContact CE1-NE2 3.29Å; Y1832-H2072 AromaticContact CZ-NE2 3.42Å; Y1832-H2072 PolarHBondContact OH-CE1 3.08Å; Y1832-H2072 PolarHBondContact OH-NE2 3.32Å; Y1832-H2072 VanDerWaalsContact OH-NE2 3.13Å; Y1832-V2076 HydrophobicContact CD1-CG1 4.18Å; Y1832-V2076 HydrophobicContact CD1-CG2 4.46Å; Y1832-V2076 HydrophobicContact CD2-CG1 4.03Å; Y1832-V2076 HydrophobicContact CD2-CG2 4.4Å; Y1832-V2076 HydrophobicContact CE1-CG2 4.44Å; Y1832-V2076 HydrophobicContact CE2-CG2 4.44Å; Y1832-V2076 HydrophobicContact CG-CG1 3.66Å; Y1832-V2076 HydrophobicContact CG-CG2 4.45Å |
| 1833 | N | 65.6 | Low | 61.9 | Low | 144.8 Ų | 144.8 | 71.3 Ų | 71.3 | 77% | 0.774 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 41.2 | -174.6 | -64.6 | -41 | 0 | 0 | 0 | 113.1 | A1829 K1830 D1835 | A1829-N1833 WeakPolarHBondContact O-CA 3.49Å; A1829-N1833 PolarHBondContact O-N 3.15Å; A1829-N1833 VanDerWaalsContact O-N 3.13Å; K1830-N1833 PolarHBondContact O-N 3.23Å; N1833-D1835 PolarHBondContact O-N 3.1Å |
| 1834 | L | 60.7 | Low | 59 | Low | 26.8 Ų | 26.8 | 75.3 Ų | 75.3 | 14% | 0.14 | 39% | 0.385 | C | S | . | . | trans | -79.1 | 118.7 | 174.8 | -99.7 | 139.7 | 0 | 0 | 0 | 109.4 | F1761 A1829 Y1832 L1836 V2076 | F1761-L1834 HydrophobicContact CD1-CD1 4.47Å; F1761-L1834 HydrophobicContact CE1-CD1 4.15Å; A1829-L1834 HydrophobicContact CB-CB 4.1Å; A1829-L1834 PolarHBondContact O-N 3.19Å; Y1832-L1834 PolarHBondContact O-N 3.06Å; Y1832-L1834 VanDerWaalsContact O-N 3.16Å; L1834-L1836 VanDerWaalsContact C-N 3.28Å; L1834-L1836 PolarHBondContact O-N 3.17Å; L1834-L1836 VanDerWaalsContact O-N 3.15Å; L1834-V2076 HydrophobicContact CD1-CG1 3.35Å; L1834-V2076 VanDerWaalsContact CD1-CG1 3.43Å; L1834-V2076 HydrophobicContact CD2-CG1 4.28Å; L1834-V2076 VanDerWaalsContact CD2-O 3.27Å; L1834-V2076 WeakPolarHBondContact CD2-O 3.44Å; L1834-V2076 HydrophobicContact CG-CG1 4.06Å | ||
| 1835 | D | 57.1 | Low | 56.4 | Low | 148 Ų | 148 | 78.5 Ų | 78.5 | 79% | 0.791 | 40% | 0.395 | S | S | * | . | trans | -69.2 | 96.1 | 160.8 | -70.2 | -34.6 | 0 | 0 | 0 | 107.7 | N1833 | N1833-D1835 PolarHBondContact O-N 3.1Š| ||
| 1836 | L | 53.8 | Low | 53.8 | Low | 28.4 Ų | 28.4 | 84.5 Ų | 84.5 | 15% | 0.149 | 43% | 0.427 | C | S | . | . | trans | -56 | 139.4 | 170.6 | -122.4 | 90 | 0 | 0 | 0 | 108 | L1825 A1829 L1834 S1838 L2085 F2088 | L1825-L1836 HydrophobicContact CB-CD2 4.44Å; A1829-L1836 HydrophobicContact CB-CD1 3.31Å; A1829-L1836 VanDerWaalsContact CB-CD1 3.43Å; A1829-L1836 HydrophobicContact CB-CG 3.85Å; L1834-L1836 VanDerWaalsContact C-N 3.28Å; L1834-L1836 PolarHBondContact O-N 3.17Å; L1834-L1836 VanDerWaalsContact O-N 3.15Å; L1836-S1838 VanDerWaalsContact C-N 3.31Å; L1836-S1838 PolarHBondContact O-N 2.97Å; L1836-S1838 PolarHBondContact O-OG 3.05Å; L1836-L2085 HydrophobicContact CD1-CD1 4.49Å; L1836-F2088 HydrophobicContact CD2-CB 3.6Å; L1836-F2088 HydrophobicContact CD2-CG 4.29Å | ||
| 1837 | P | 46.3 | Very low | 51.7 | Low | 38.6 Ų | 38.6 | 91.3 Ų | 91.3 | 25% | 0.251 | 46% | 0.459 | S | S | . | . | trans | -62.8 | 90 | -179.8 | 23.4 | -32.6 | 0 | 0 | 0 | 110.3 | A2083 N2087 | P1837-A2083 HydrophobicContact CG-CB 4.34Å; P1837-N2087 PolarHBondContact O-ND2 3.08Å; P1837-N2087 PolarHBondContact O-OD1 3.13Å | ||
| 1838 | S | 39.4 | Very low | 49.6 | Very low | 42.6 Ų | 42.6 | 89 Ų | 89 | 30% | 0.298 | 47% | 0.466 | S | S | . | . | trans | -74.6 | 130.3 | 166 | 8.3 | 0 | 0 | 0 | 0 | 106.6 | L1836 L1840 F1841 D2089 | L1836-S1838 VanDerWaalsContact C-N 3.31Å; L1836-S1838 PolarHBondContact O-N 2.97Å; L1836-S1838 PolarHBondContact O-OG 3.05Å; S1838-L1840 PolarHBondContact O-N 3.29Å; S1838-F1841 PolarHBondContact O-N 3.2Å; S1838-F1841 VanDerWaalsContact O-N 3.12Å; S1838-D2089 VanDerWaalsContact CA-OD2 3.23Å; S1838-D2089 WeakPolarHBondContact CA-OD2 3.4Å; S1838-D2089 WeakPolarHBondContact CB-OD2 3.27Å | ||
| 1839 | S | 38.4 | Very low | 47.7 | Very low | 51.2 Ų | 51.2 | 90.5 Ų | 90.5 | 36% | 0.358 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -14.6 | -174.7 | 54.6 | 0 | 0 | 0 | 0 | 114.3 | F1841 I1842 D2089 | S1839-F1841 VanDerWaalsContact C-N 3.31Å; S1839-F1841 PolarHBondContact O-N 3.21Å; S1839-I1842 PolarHBondContact O-N 3.03Å; S1839-D2089 WeakPolarHBondContact CB-OD2 3.5Å; S1839-D2089 PolarHBondContact N-OD2 3.16Å; S1839-D2089 PolarHBondContact OG-OD2 3.15Å |
| 1840 | L | 31.8 | Very low | 46 | Very low | 83.2 Ų | 83.2 | 96.5 Ų | 96.5 | 44% | 0.436 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.1 | -23.6 | 178.6 | -87.3 | 157.5 | 0 | 0 | 0 | 115.2 | S1838 I1842 N1844 I2127 S2140 I2142 | S1838-L1840 PolarHBondContact O-N 3.29Å; L1840-I1842 VanDerWaalsContact C-N 3.29Å; L1840-I1842 PolarHBondContact O-N 3.03Å; L1840-N1844 PolarHBondContact O-N 2.75Å; L1840-I2127 HydrophobicContact CD1-CG2 4.16Å; L1840-S2140 WeakPolarHBondContact CD1-OG 3.35Å; L1840-I2142 HydrophobicContact CD1-CD1 3.72Å; L1840-I2142 HydrophobicContact CD1-CG1 4.49Å; L1840-I2142 HydrophobicContact CD2-CD1 3.97Å; L1840-I2142 HydrophobicContact CG-CD1 4.37Å |
| 1841 | F | 33 | Very low | 44.3 | Very low | 156.8 Ų | 156.8 | 96.7 Ų | 96.7 | 69% | 0.688 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -84.7 | -11.9 | -178.6 | -94.3 | -75.6 | 0 | 0 | 0 | 115 | S1838 S1839 Q1843 K1845 | S1838-F1841 PolarHBondContact O-N 3.2Å; S1838-F1841 VanDerWaalsContact O-N 3.12Å; S1839-F1841 VanDerWaalsContact C-N 3.31Å; S1839-F1841 PolarHBondContact O-N 3.21Å; F1841-Q1843 VanDerWaalsContact C-N 3.32Å; F1841-Q1843 PolarHBondContact O-N 3.21Å; F1841-K1845 HydrophobicContact CD1-CD 4.43Å; F1841-K1845 HydrophobicContact CD1-CG 4.4Å |
| 1842 | I | 34 | Very low | 43.1 | Very low | 137.6 Ų | 137.6 | 96.4 Ų | 96.4 | 71% | 0.706 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -90 | -17 | -176.5 | -62 | 179.8 | 0 | 0 | 0 | 112.6 | S1839 L1840 | S1839-I1842 PolarHBondContact O-N 3.03Å; L1840-I1842 VanDerWaalsContact C-N 3.29Å; L1840-I1842 PolarHBondContact O-N 3.03Å |
| 1843 | Q | 31.5 | Very low | 42.1 | Very low | 130 Ų | 130 | 99.3 Ų | 99.3 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -113.1 | -7.3 | -175.3 | -77 | -173.4 | -18.5 | 0 | 0 | 117.1 | F1841 K1845 N1846 | F1841-Q1843 VanDerWaalsContact C-N 3.32Å; F1841-Q1843 PolarHBondContact O-N 3.21Å; Q1843-K1845 VanDerWaalsContact C-N 3.27Å; Q1843-N1846 PolarHBondContact O-ND2 3.37Å |
| 1844 | N | 29.6 | Very low | 41.2 | Very low | 97.4 Ų | 97.4 | 99.1 Ų | 99.1 | 52% | 0.521 | 51% | 0.514 | S | S | . | . | trans | -108.7 | 17 | 178.7 | -95.8 | -17.3 | 0 | 0 | 0 | 114.8 | L1840 N1846 K2134 | L1840-N1844 PolarHBondContact O-N 2.75Å; N1844-N1846 VanDerWaalsContact C-N 3.28Å; N1844-N1846 PolarHBondContact O-N 3.08Å; N1844-K2134 PolarHBondContact OD1-NZ 3.28Å | ||
| 1845 | K | 31.9 | Very low | 40.9 | Very low | 84 Ų | 84 | 101.8 Ų | 101.8 | 37% | 0.365 | 53% | 0.528 | S | S | . | . | trans | -79.4 | 69.7 | 167.2 | -82.1 | -166.7 | 168.5 | -118.2 | 0 | 110.4 | F1841 Q1843 H1847 D1849 D1852 V1853 | F1841-K1845 HydrophobicContact CD1-CD 4.43Å; F1841-K1845 HydrophobicContact CD1-CG 4.4Å; Q1843-K1845 VanDerWaalsContact C-N 3.27Å; K1845-H1847 PolarHBondContact O-N 3.16Å; K1845-H1847 VanDerWaalsContact O-N 3.08Å; K1845-D1849 WeakPolarHBondContact CA-OD2 3.49Å; K1845-D1849 HydrophobicContact CB-CB 4.41Å; K1845-D1849 VanDerWaalsContact CB-OD1 3.3Å; K1845-D1849 WeakPolarHBondContact CB-OD1 3.39Å; K1845-D1849 VanDerWaalsContact CB-OD2 3.25Å; K1845-D1849 WeakPolarHBondContact CB-OD2 3.45Å; K1845-D1849 HydrophobicContact CD-CB 3.99Å; K1845-D1849 WeakPolarHBondContact CD-OD1 3.31Å; K1845-D1849 VanDerWaalsContact CD-OD2 3.31Å; K1845-D1849 WeakPolarHBondContact CD-OD2 3.42Å; K1845-D1849 WeakPolarHBondContact CE-OD1 3.28Å; K1845-D1849 WeakPolarHBondContact CE-OD2 3.32Å; K1845-D1849 HydrophobicContact CG-CB 4.41Å; K1845-D1849 WeakPolarHBondContact CG-OD1 3.21Å; K1845-D1849 WeakPolarHBondContact CG-OD2 3.43Å; K1845-D1849 IonicContact NZ-OD1 3.43Å; K1845-D1849 PolarHBondContact NZ-OD1 3.48Å; K1845-D1849 IonicContact NZ-OD2 3.35Å; K1845-D1849 PolarHBondContact NZ-OD2 3.16Å; K1845-D1852 WeakPolarHBondContact CE-OD2 3.36Å; K1845-D1852 VanDerWaalsContact NZ-CB 3.27Å; K1845-D1852 IonicContact NZ-OD1 3.34Å; K1845-D1852 IonicContact NZ-OD2 3.01Å; K1845-D1852 PolarHBondContact NZ-OD2 3.13Å; K1845-V1853 HydrophobicContact CD-CG2 4.23Å | ||
| 1846 | N | 33 | Very low | 41.2 | Very low | 125.6 Ų | 125.6 | 98.3 Ų | 98.3 | 67% | 0.672 | 51% | 0.51 | S | S | * | . | trans | -85.5 | 101.9 | 172.3 | -73.6 | -18.8 | 0 | 0 | 0 | 109.2 | Q1843 N1844 S1848 | Q1843-N1846 PolarHBondContact O-ND2 3.37Å; N1844-N1846 VanDerWaalsContact C-N 3.28Å; N1844-N1846 PolarHBondContact O-N 3.08Å; N1846-S1848 VanDerWaalsContact C-N 3.26Å; N1846-S1848 PolarHBondContact O-N 3.26Å; N1846-S1848 PolarHBondContact O-OG 3.13Å | ||
| 1847 | H | 40.1 | Very low | 41.7 | Very low | 194 Ų | 194 | 100.4 Ų | 100.4 | 90% | 0.898 | 53% | 0.526 | S | S | * | . | S | Bend | trans | 71.2 | -3.3 | 152.5 | -95.1 | -68.8 | 0 | 0 | 0 | 121.4 | K1845 | K1845-H1847 PolarHBondContact O-N 3.16Å; K1845-H1847 VanDerWaalsContact O-N 3.08Å |
| 1848 | S | 39.2 | Very low | 42.5 | Very low | 101 Ų | 101 | 103.5 Ų | 103.5 | 71% | 0.706 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -106.5 | -1 | 174.3 | 54.5 | 0 | 0 | 0 | 0 | 115.1 | N1846 L1850 | N1846-S1848 VanDerWaalsContact C-N 3.26Å; N1846-S1848 PolarHBondContact O-N 3.26Å; N1846-S1848 PolarHBondContact O-OG 3.13Å; S1848-L1850 PolarHBondContact O-N 3.07Å |
| 1849 | D | 40 | Very low | 44.2 | Very low | 39.6 Ų | 39.6 | 106.3 Ų | 106.3 | 21% | 0.212 | 55% | 0.545 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 21.1 | -159.5 | -68.2 | -27.2 | 0 | 0 | 0 | 116.6 | K1845 E1851 D1852 V1853 | K1845-D1849 WeakPolarHBondContact CA-OD2 3.49Å; K1845-D1849 HydrophobicContact CB-CB 4.41Å; K1845-D1849 VanDerWaalsContact CB-OD1 3.3Å; K1845-D1849 WeakPolarHBondContact CB-OD1 3.39Å; K1845-D1849 VanDerWaalsContact CB-OD2 3.25Å; K1845-D1849 WeakPolarHBondContact CB-OD2 3.45Å; K1845-D1849 HydrophobicContact CD-CB 3.99Å; K1845-D1849 WeakPolarHBondContact CD-OD1 3.31Å; K1845-D1849 VanDerWaalsContact CD-OD2 3.31Å; K1845-D1849 WeakPolarHBondContact CD-OD2 3.42Å; K1845-D1849 WeakPolarHBondContact CE-OD1 3.28Å; K1845-D1849 WeakPolarHBondContact CE-OD2 3.32Å; K1845-D1849 HydrophobicContact CG-CB 4.41Å; K1845-D1849 WeakPolarHBondContact CG-OD1 3.21Å; K1845-D1849 WeakPolarHBondContact CG-OD2 3.43Å; K1845-D1849 IonicContact NZ-OD1 3.43Å; K1845-D1849 PolarHBondContact NZ-OD1 3.48Å; K1845-D1849 IonicContact NZ-OD2 3.35Å; K1845-D1849 PolarHBondContact NZ-OD2 3.16Å; D1849-E1851 VanDerWaalsContact C-N 3.32Å; D1849-E1851 PolarHBondContact O-N 3.39Å; D1849-D1852 HydrophobicContact CB-CB 4.25Å; D1849-D1852 PolarHBondContact O-N 3.26Å; D1849-V1853 VanDerWaalsContact O-CG2 3.28Å; D1849-V1853 WeakPolarHBondContact O-CG2 3.31Å; D1849-V1853 PolarHBondContact O-N 3.05Å |
| 1850 | L | 42.9 | Very low | 46.2 | Very low | 131.8 Ų | 131.8 | 105.1 Ų | 105.1 | 69% | 0.69 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.1 | -28 | 179.4 | -160.9 | 69.6 | 0 | 0 | 0 | 112.5 | S1848 K1854 | S1848-L1850 PolarHBondContact O-N 3.07Å; L1850-K1854 WeakPolarHBondContact O-CG 3.12Å |
| 1851 | E | 41.1 | Very low | 48.5 | Very low | 158.8 Ų | 158.8 | 102.1 Ų | 102.1 | 74% | 0.742 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -76.1 | -45.2 | 175.8 | -64.4 | -144.9 | 137.7 | 0 | 0 | 112 | D1849 V1853 K1854 D1855 | D1849-E1851 VanDerWaalsContact C-N 3.32Å; D1849-E1851 PolarHBondContact O-N 3.39Å; E1851-V1853 VanDerWaalsContact C-N 3.3Å; E1851-V1853 PolarHBondContact O-N 3.35Å; E1851-K1854 WeakPolarHBondContact O-CB 3.32Å; E1851-K1854 PolarHBondContact O-N 3.16Å; E1851-K1854 VanDerWaalsContact O-N 3.14Å; E1851-D1855 PolarHBondContact O-N 2.87Å |
| 1852 | D | 45.7 | Very low | 50.8 | Low | 75.8 Ų | 75.8 | 97.9 Ų | 97.9 | 41% | 0.405 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.2 | -37.4 | 179.8 | -88.4 | -5.7 | 0 | 0 | 0 | 113.7 | K1845 D1849 K1854 D1855 N1856 | K1845-D1852 WeakPolarHBondContact CE-OD2 3.36Å; K1845-D1852 VanDerWaalsContact NZ-CB 3.27Å; K1845-D1852 IonicContact NZ-OD1 3.34Å; K1845-D1852 IonicContact NZ-OD2 3.01Å; K1845-D1852 PolarHBondContact NZ-OD2 3.13Å; D1849-D1852 HydrophobicContact CB-CB 4.25Å; D1849-D1852 PolarHBondContact O-N 3.26Å; D1852-K1854 VanDerWaalsContact C-N 3.34Å; D1852-D1855 PolarHBondContact O-N 3.08Å; D1852-N1856 WeakPolarHBondContact O-CB 3.36Å; D1852-N1856 PolarHBondContact O-N 3.35Å; D1852-N1856 PolarHBondContact O-ND2 3.03Å |
| 1853 | V | 48.5 | Very low | 53.2 | Low | 88.4 Ų | 88.4 | 92 Ų | 92 | 54% | 0.536 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.5 | -40.3 | 179.4 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | K1845 D1849 E1851 C1857 | K1845-V1853 HydrophobicContact CD-CG2 4.23Å; D1849-V1853 VanDerWaalsContact O-CG2 3.28Å; D1849-V1853 WeakPolarHBondContact O-CG2 3.31Å; D1849-V1853 PolarHBondContact O-N 3.05Å; E1851-V1853 VanDerWaalsContact C-N 3.3Å; E1851-V1853 PolarHBondContact O-N 3.35Å; V1853-C1857 WeakPolarHBondContact O-CB 3.27Å; V1853-C1857 PolarHBondContact O-N 3.18Å; V1853-C1857 VanDerWaalsContact O-N 3.11Å |
| 1854 | K | 47.4 | Very low | 55.9 | Low | 141 Ų | 141 | 86.1 Ų | 86.1 | 61% | 0.613 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.4 | -42 | 175.1 | -112.6 | -179.2 | 178.3 | -179.7 | 0 | 110.9 | L1850 E1851 D1852 N1856 C1857 M1858 | L1850-K1854 WeakPolarHBondContact O-CG 3.12Å; E1851-K1854 WeakPolarHBondContact O-CB 3.32Å; E1851-K1854 PolarHBondContact O-N 3.16Å; E1851-K1854 VanDerWaalsContact O-N 3.14Å; D1852-K1854 VanDerWaalsContact C-N 3.34Å; K1854-N1856 PolarHBondContact O-N 2.96Å; K1854-C1857 PolarHBondContact O-N 3.18Å; K1854-M1858 WeakPolarHBondContact O-CB 3.29Å; K1854-M1858 VanDerWaalsContact O-CG 3.31Å; K1854-M1858 WeakPolarHBondContact O-CG 3.26Å; K1854-M1858 PolarHBondContact O-N 3.17Å |
| 1855 | D | 53.6 | Low | 58.5 | Low | 84 Ų | 84 | 81.5 Ų | 81.5 | 45% | 0.449 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 179.1 | -105.4 | 19.2 | 0 | 0 | 0 | 112.7 | E1851 D1852 M1858 K1859 | E1851-D1855 PolarHBondContact O-N 2.87Å; D1852-D1855 PolarHBondContact O-N 3.08Å; D1855-M1858 PolarHBondContact O-N 3.24Å; D1855-K1859 WeakPolarHBondContact O-CB 3.32Å; D1855-K1859 WeakPolarHBondContact O-CD 3.31Å; D1855-K1859 VanDerWaalsContact O-CG 3.25Å; D1855-K1859 WeakPolarHBondContact O-CG 3.23Å; D1855-K1859 PolarHBondContact O-N 3.22Å; D1855-K1859 WeakPolarHBondContact OD2-CE 3.3Å; D1855-K1859 IonicContact OD2-NZ 2.67Å; D1855-K1859 PolarHBondContact OD2-NZ 3.23Å |
| 1856 | N | 63.2 | Low | 61.1 | Low | 74.8 Ų | 74.8 | 80.1 Ų | 80.1 | 40% | 0.4 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | 175.7 | -79.8 | -15 | 0 | 0 | 0 | 112.3 | D1852 K1854 M1858 K1859 T1860 | D1852-N1856 WeakPolarHBondContact O-CB 3.36Å; D1852-N1856 PolarHBondContact O-N 3.35Å; D1852-N1856 PolarHBondContact O-ND2 3.03Å; K1854-N1856 PolarHBondContact O-N 2.96Å; N1856-M1858 VanDerWaalsContact C-N 3.34Å; N1856-M1858 PolarHBondContact O-N 2.93Å; N1856-K1859 PolarHBondContact O-N 3.01Å; N1856-K1859 VanDerWaalsContact O-N 3.14Å; N1856-T1860 WeakPolarHBondContact O-CG2 3.42Å; N1856-T1860 PolarHBondContact O-N 3.16Å; N1856-T1860 PolarHBondContact O-OG1 3.15Å |
| 1857 | C | 65.3 | Low | 63.7 | Low | 71.6 Ų | 71.6 | 74.1 Ų | 74.1 | 48% | 0.484 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 175.2 | -176.3 | 0 | 0 | 0 | 0 | 112 | V1853 K1854 K1859 T1860 N1861 | V1853-C1857 WeakPolarHBondContact O-CB 3.27Å; V1853-C1857 PolarHBondContact O-N 3.18Å; V1853-C1857 VanDerWaalsContact O-N 3.11Å; K1854-C1857 PolarHBondContact O-N 3.18Å; C1857-K1859 VanDerWaalsContact C-N 3.33Å; C1857-K1859 PolarHBondContact O-N 2.93Å; C1857-T1860 VanDerWaalsContact CA-OG1 3.31Å; C1857-T1860 WeakPolarHBondContact CA-OG1 3.4Å; C1857-T1860 PolarHBondContact O-N 3.25Å; C1857-T1860 PolarHBondContact O-OG1 3.18Å; C1857-N1861 WeakPolarHBondContact O-CB 3.29Å; C1857-N1861 PolarHBondContact O-N 3.22Å; C1857-N1861 PolarHBondContact O-OD1 3.24Å |
| 1858 | M | 63.6 | Low | 66 | Low | 104.8 Ų | 104.8 | 64.9 Ų | 64.9 | 52% | 0.516 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 175.4 | -71.9 | -81.3 | -97.1 | 0 | 0 | 112.2 | K1854 D1855 N1856 K1862 | K1854-M1858 WeakPolarHBondContact O-CB 3.29Å; K1854-M1858 VanDerWaalsContact O-CG 3.31Å; K1854-M1858 WeakPolarHBondContact O-CG 3.26Å; K1854-M1858 PolarHBondContact O-N 3.17Å; D1855-M1858 PolarHBondContact O-N 3.24Å; N1856-M1858 VanDerWaalsContact C-N 3.34Å; N1856-M1858 PolarHBondContact O-N 2.93Å; M1858-K1862 VanDerWaalsContact O-CB 3.29Å; M1858-K1862 WeakPolarHBondContact O-CB 3.3Å; M1858-K1862 VanDerWaalsContact O-CD 3.24Å; M1858-K1862 WeakPolarHBondContact O-CD 3.25Å; M1858-K1862 WeakPolarHBondContact O-CG 3.45Å; M1858-K1862 PolarHBondContact O-N 3.19Å; M1858-K1862 VanDerWaalsContact O-N 3.12Å |
| 1859 | K | 74.8 | Confident | 68.1 | Low | 100.6 Ų | 100.6 | 60.2 Ų | 60.2 | 44% | 0.437 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 174.7 | -73.7 | 167.5 | -171.7 | 165.3 | 0 | 112 | D1855 N1856 C1857 K1862 C1863 Y2077 | D1855-K1859 WeakPolarHBondContact O-CB 3.32Å; D1855-K1859 WeakPolarHBondContact O-CD 3.31Å; D1855-K1859 VanDerWaalsContact O-CG 3.25Å; D1855-K1859 WeakPolarHBondContact O-CG 3.23Å; D1855-K1859 PolarHBondContact O-N 3.22Å; D1855-K1859 WeakPolarHBondContact OD2-CE 3.3Å; D1855-K1859 IonicContact OD2-NZ 2.67Å; D1855-K1859 PolarHBondContact OD2-NZ 3.23Å; N1856-K1859 PolarHBondContact O-N 3.01Å; N1856-K1859 VanDerWaalsContact O-N 3.14Å; C1857-K1859 VanDerWaalsContact C-N 3.33Å; C1857-K1859 PolarHBondContact O-N 2.93Å; K1859-K1862 PolarHBondContact O-N 3.18Å; K1859-C1863 PolarHBondContact O-N 3.11Å; K1859-C1863 VanDerWaalsContact O-N 3.12Å; K1859-C1863 PolarHBondContact O-SG 3.15Å; K1859-Y2077 HydrophobicContact CB-CE1 4.48Å |
| 1860 | T | 80.1 | Confident | 70.3 | Confident | 25.6 Ų | 25.6 | 58.4 Ų | 58.4 | 16% | 0.157 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 177.6 | 51.8 | 0 | 0 | 0 | 0 | 111.6 | N1856 C1857 K1862 C1863 Q1864 Y2077 A2081 | N1856-T1860 WeakPolarHBondContact O-CG2 3.42Å; N1856-T1860 PolarHBondContact O-N 3.16Å; N1856-T1860 PolarHBondContact O-OG1 3.15Å; C1857-T1860 VanDerWaalsContact CA-OG1 3.31Å; C1857-T1860 WeakPolarHBondContact CA-OG1 3.4Å; C1857-T1860 PolarHBondContact O-N 3.25Å; C1857-T1860 PolarHBondContact O-OG1 3.18Å; T1860-K1862 VanDerWaalsContact C-N 3.32Å; T1860-K1862 PolarHBondContact O-N 3.14Å; T1860-C1863 WeakPolarHBondContact O-CA 3.47Å; T1860-C1863 WeakPolarHBondContact O-CB 3.34Å; T1860-C1863 PolarHBondContact O-N 3.07Å; T1860-C1863 VanDerWaalsContact O-N 3.15Å; T1860-Q1864 WeakPolarHBondContact O-CG 3.36Å; T1860-Q1864 PolarHBondContact O-N 3.13Å; T1860-Y2077 HydrophobicContact CG2-CE1 3.96Å; T1860-A2081 HydrophobicContact CG2-CB 3.76Å |
| 1861 | N | 79.1 | Confident | 72.4 | Confident | 20.8 Ų | 20.8 | 52.4 Ų | 52.4 | 11% | 0.111 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 179.1 | -134.2 | 5 | 0 | 0 | 0 | 111.4 | C1857 C1863 Q1864 T1865 W1939 L2041 Q2043 | C1857-N1861 WeakPolarHBondContact O-CB 3.29Å; C1857-N1861 PolarHBondContact O-N 3.22Å; C1857-N1861 PolarHBondContact O-OD1 3.24Å; N1861-C1863 VanDerWaalsContact C-N 3.32Å; N1861-C1863 PolarHBondContact O-N 3.07Å; N1861-Q1864 PolarHBondContact O-N 3.29Å; N1861-Q1864 PolarHBondContact OD1-OE1 3.36Å; N1861-T1865 WeakPolarHBondContact O-CB 3.34Å; N1861-T1865 VanDerWaalsContact O-CG2 3.24Å; N1861-T1865 WeakPolarHBondContact O-CG2 3.41Å; N1861-T1865 PolarHBondContact O-N 2.94Å; N1861-T1865 PolarHBondContact O-OG1 3.16Å; N1861-T1865 PolarHBondContact OD1-OG1 2.77Å; N1861-W1939 HydrophobicContact CB-CZ2 4.38Å; N1861-L2041 PolarHBondContact ND2-O 3.16Å; N1861-L2041 PolarHBondContact OD1-O 3.02Å; N1861-L2041 VanDerWaalsContact OD1-O 3.06Å; N1861-Q2043 VanDerWaalsContact ND2-CD 3.33Å; N1861-Q2043 PolarHBondContact ND2-OE1 3.3Å |
| 1862 | K | 82.1 | Confident | 74.2 | Confident | 69.2 Ų | 69.2 | 46.8 Ų | 46.8 | 30% | 0.301 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.9 | -41.1 | 173.8 | -162.9 | 174.6 | -177.4 | 174.2 | 0 | 112.4 | M1858 K1859 T1860 T1865 R1866 S2046 | M1858-K1862 VanDerWaalsContact O-CB 3.29Å; M1858-K1862 WeakPolarHBondContact O-CB 3.3Å; M1858-K1862 VanDerWaalsContact O-CD 3.24Å; M1858-K1862 WeakPolarHBondContact O-CD 3.25Å; M1858-K1862 WeakPolarHBondContact O-CG 3.45Å; M1858-K1862 PolarHBondContact O-N 3.19Å; M1858-K1862 VanDerWaalsContact O-N 3.12Å; K1859-K1862 PolarHBondContact O-N 3.18Å; T1860-K1862 VanDerWaalsContact C-N 3.32Å; T1860-K1862 PolarHBondContact O-N 3.14Å; K1862-T1865 WeakPolarHBondContact CA-OG1 3.4Å; K1862-T1865 PolarHBondContact O-OG1 2.99Å; K1862-R1866 VanDerWaalsContact CE-CZ 3.49Å; K1862-R1866 VanDerWaalsContact CE-NH2 3.28Å; K1862-R1866 VanDerWaalsContact O-CG 3.3Å; K1862-R1866 WeakPolarHBondContact O-CG 3.28Å; K1862-R1866 PolarHBondContact O-N 3.27Å; K1862-R1866 VanDerWaalsContact O-N 3.1Å; K1862-S2046 WeakPolarHBondContact CE-OG 3.38Å; K1862-S2046 PolarHBondContact NZ-OG 2.63Å; K1862-S2046 VanDerWaalsContact NZ-OG 3.17Å |
| 1863 | C | 85.3 | Confident | 75.8 | Confident | 14 Ų | 14 | 43.4 Ų | 43.4 | 10% | 0.095 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.3 | -42.4 | 177.7 | -70.1 | 0 | 0 | 0 | 0 | 112.3 | K1859 T1860 N1861 T1865 R1866 L1867 S2074 Y2077 L2078 | K1859-C1863 PolarHBondContact O-N 3.11Å; K1859-C1863 VanDerWaalsContact O-N 3.12Å; K1859-C1863 PolarHBondContact O-SG 3.15Å; T1860-C1863 WeakPolarHBondContact O-CA 3.47Å; T1860-C1863 WeakPolarHBondContact O-CB 3.34Å; T1860-C1863 PolarHBondContact O-N 3.07Å; T1860-C1863 VanDerWaalsContact O-N 3.15Å; N1861-C1863 VanDerWaalsContact C-N 3.32Å; N1861-C1863 PolarHBondContact O-N 3.07Å; C1863-T1865 VanDerWaalsContact C-N 3.33Å; C1863-T1865 PolarHBondContact O-N 3.21Å; C1863-R1866 PolarHBondContact O-N 3.12Å; C1863-L1867 PolarHBondContact O-N 3.08Å; C1863-L1867 VanDerWaalsContact O-N 3.11Å; C1863-S2074 WeakPolarHBondContact CA-OG 3.46Å; C1863-S2074 PolarHBondContact SG-OG 3.18Å; C1863-S2074 VanDerWaalsContact SG-OG 3.36Å; C1863-Y2077 HydrophobicContact CB-CD1 4.12Å; C1863-L2078 HydrophobicContact CB-CD1 4.11Å; C1863-L2078 HydrophobicContact CB-CD2 4.01Å; C1863-L2078 HydrophobicContact CB-CG 3.91Å |
| 1864 | Q | 87.4 | Confident | 77.1 | Confident | 5.6 Ų | 5.6 | 40.5 Ų | 40.5 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.8 | -47.2 | 176.2 | -71.9 | 175.1 | -24.6 | 0 | 0 | 111 | T1860 N1861 R1866 L1867 I1868 W1939 L2041 L2078 H2082 | T1860-Q1864 WeakPolarHBondContact O-CG 3.36Å; T1860-Q1864 PolarHBondContact O-N 3.13Å; N1861-Q1864 PolarHBondContact O-N 3.29Å; N1861-Q1864 PolarHBondContact OD1-OE1 3.36Å; Q1864-R1866 VanDerWaalsContact C-N 3.33Å; Q1864-R1866 PolarHBondContact O-N 3.3Å; Q1864-L1867 WeakPolarHBondContact O-CB 3.26Å; Q1864-L1867 PolarHBondContact O-N 3.05Å; Q1864-L1867 VanDerWaalsContact O-N 3.11Å; Q1864-I1868 WeakPolarHBondContact O-CG1 3.39Å; Q1864-I1868 PolarHBondContact O-N 3.09Å; Q1864-W1939 HydrophobicContact CB-CD2 3.93Å; Q1864-W1939 HydrophobicContact CB-CE3 3.91Å; Q1864-W1939 HydrophobicContact CB-CH2 3.81Å; Q1864-W1939 HydrophobicContact CB-CZ2 4.32Å; Q1864-W1939 HydrophobicContact CB-CZ3 3.54Å; Q1864-W1939 VanDerWaalsContact CB-CZ3 3.41Å; Q1864-W1939 VanDerWaalsContact CD-CE2 3.43Å; Q1864-W1939 HydrophobicContact CG-CD2 3.93Å; Q1864-W1939 HydrophobicContact CG-CE3 3.85Å; Q1864-W1939 HydrophobicContact CG-CH2 3.86Å; Q1864-W1939 HydrophobicContact CG-CZ2 3.97Å; Q1864-W1939 HydrophobicContact CG-CZ3 3.73Å; Q1864-W1939 VanDerWaalsContact OE1-CD2 3.31Å; Q1864-L2041 HydrophobicContact CB-CD1 4.5Å; Q1864-L2078 HydrophobicContact CB-CD1 4.34Å; Q1864-L2078 HydrophobicContact CG-CD1 3.92Å; Q1864-L2078 HydrophobicContact CG-CD2 3.7Å; Q1864-L2078 HydrophobicContact CG-CG 4.21Å; Q1864-H2082 PolarHBondContact NE2-CE1 3.08Å; Q1864-H2082 VanDerWaalsContact NE2-CE1 3.29Å; Q1864-H2082 PolarHBondContact NE2-NE2 2.87Å |
| 1865 | T | 83.5 | Confident | 78.7 | Confident | 0.6 Ų | 0.6 | 33.9 Ų | 33.9 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62 | -40.4 | 178.6 | -35.4 | 0 | 0 | 0 | 0 | 112.6 | N1861 K1862 C1863 L1867 I1868 G1869 W1939 L2041 A2042 S2047 I2051 | N1861-T1865 WeakPolarHBondContact O-CB 3.34Å; N1861-T1865 VanDerWaalsContact O-CG2 3.24Å; N1861-T1865 WeakPolarHBondContact O-CG2 3.41Å; N1861-T1865 PolarHBondContact O-N 2.94Å; N1861-T1865 PolarHBondContact O-OG1 3.16Å; N1861-T1865 PolarHBondContact OD1-OG1 2.77Å; K1862-T1865 WeakPolarHBondContact CA-OG1 3.4Å; K1862-T1865 PolarHBondContact O-OG1 2.99Å; C1863-T1865 VanDerWaalsContact C-N 3.33Å; C1863-T1865 PolarHBondContact O-N 3.21Å; T1865-L1867 VanDerWaalsContact C-N 3.32Å; T1865-L1867 PolarHBondContact O-N 3.16Å; T1865-I1868 PolarHBondContact O-N 3.29Å; T1865-G1869 WeakPolarHBondContact O-CA 3.34Å; T1865-G1869 PolarHBondContact O-N 3.04Å; T1865-W1939 HydrophobicContact CG2-CH2 3.8Å; T1865-W1939 HydrophobicContact CG2-CZ3 4.22Å; T1865-L2041 VanDerWaalsContact CG2-C 3.5Å; T1865-L2041 HydrophobicContact CG2-CB 3.83Å; T1865-L2041 WeakPolarHBondContact CG2-O 3.45Å; T1865-L2041 PolarHBondContact OG1-O 3.18Å; T1865-L2041 VanDerWaalsContact OG1-O 3.11Å; T1865-A2042 HydrophobicContact CG2-CB 3.6Å; T1865-S2047 VanDerWaalsContact CG2-CB 3.49Å; T1865-S2047 WeakPolarHBondContact OG1-CB 3.41Å; T1865-S2047 PolarHBondContact OG1-OG 3.41Å; T1865-I2051 HydrophobicContact CG2-CD1 3.44Å; T1865-I2051 VanDerWaalsContact CG2-CD1 3.47Å; T1865-I2051 HydrophobicContact CG2-CG1 4.15Å |
| 1866 | R | 86.5 | Confident | 80 | Confident | 53.8 Ų | 53.8 | 30.4 Ų | 30.4 | 20% | 0.203 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.1 | -41.8 | 176.2 | -76.4 | 171.3 | 172.8 | -177.5 | -6 | 112 | K1862 C1863 Q1864 G1869 L1870 F2050 S2074 | K1862-R1866 VanDerWaalsContact CE-CZ 3.49Å; K1862-R1866 VanDerWaalsContact CE-NH2 3.28Å; K1862-R1866 VanDerWaalsContact O-CG 3.3Å; K1862-R1866 WeakPolarHBondContact O-CG 3.28Å; K1862-R1866 PolarHBondContact O-N 3.27Å; K1862-R1866 VanDerWaalsContact O-N 3.1Å; C1863-R1866 PolarHBondContact O-N 3.12Å; Q1864-R1866 VanDerWaalsContact C-N 3.33Å; Q1864-R1866 PolarHBondContact O-N 3.3Å; R1866-G1869 PolarHBondContact O-N 2.94Å; R1866-L1870 PolarHBondContact O-N 3.16Å; R1866-L1870 VanDerWaalsContact O-N 3.1Å; R1866-F2050 HydrophobicContact CB-CD1 4.06Å; R1866-F2050 HydrophobicContact CB-CE1 3.89Å; R1866-F2050 HydrophobicContact CB-CE2 4.48Å; R1866-F2050 HydrophobicContact CB-CG 4.45Å; R1866-F2050 HydrophobicContact CB-CZ 4.13Å; R1866-F2050 HydrophobicContact CG-CB 4.37Å; R1866-F2050 HydrophobicContact CG-CD1 3.87Å; R1866-F2050 HydrophobicContact CG-CD2 3.98Å; R1866-F2050 HydrophobicContact CG-CE1 4.11Å; R1866-F2050 HydrophobicContact CG-CE2 4.19Å; R1866-F2050 HydrophobicContact CG-CG 3.8Å; R1866-F2050 HydrophobicContact CG-CZ 4.26Å; R1866-F2050 VanDerWaalsContact O-CE1 3.22Å; R1866-F2050 WeakPolarHBondContact O-CE1 3.35Å; R1866-S2074 WeakPolarHBondContact CD-OG 3.33Å |
| 1867 | L | 88.9 | Confident | 80.6 | Confident | 0.6 Ų | 0.6 | 27.8 Ų | 27.8 | 0% | 0.003 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.8 | -47.6 | -178.9 | -175.8 | 56.8 | 0 | 0 | 0 | 111.6 | I1765 C1863 Q1864 T1865 G1869 L1870 L1871 H1935 W1939 A2075 L2078 | I1765-L1867 HydrophobicContact CB-CD1 4.24Å; I1765-L1867 HydrophobicContact CG1-CD1 3.96Å; I1765-L1867 HydrophobicContact CG2-CD1 3.93Å; C1863-L1867 PolarHBondContact O-N 3.08Å; C1863-L1867 VanDerWaalsContact O-N 3.11Å; Q1864-L1867 WeakPolarHBondContact O-CB 3.26Å; Q1864-L1867 PolarHBondContact O-N 3.05Å; Q1864-L1867 VanDerWaalsContact O-N 3.11Å; T1865-L1867 VanDerWaalsContact C-N 3.32Å; T1865-L1867 PolarHBondContact O-N 3.16Å; L1867-G1869 VanDerWaalsContact C-N 3.32Å; L1867-G1869 PolarHBondContact O-N 3.49Å; L1867-L1870 PolarHBondContact O-N 3.06Å; L1867-L1871 HydrophobicContact CD1-CD1 4.25Å; L1867-L1871 HydrophobicContact CD1-CG 4.42Å; L1867-L1871 HydrophobicContact CG-CD1 4.12Å; L1867-L1871 WeakPolarHBondContact O-CB 3.38Å; L1867-L1871 VanDerWaalsContact O-CG 3.31Å; L1867-L1871 WeakPolarHBondContact O-CG 3.34Å; L1867-L1871 PolarHBondContact O-N 3.18Å; L1867-H1935 WeakPolarHBondContact CD2-CE1 3.34Å; L1867-H1935 VanDerWaalsContact CD2-ND1 3.34Å; L1867-H1935 WeakPolarHBondContact CD2-ND1 3.48Å; L1867-W1939 HydrophobicContact CB-CH2 4.36Å; L1867-W1939 HydrophobicContact CD2-CH2 4.09Å; L1867-W1939 HydrophobicContact CD2-CZ2 3.87Å; L1867-W1939 HydrophobicContact CG-CH2 4.45Å; L1867-A2075 HydrophobicContact CD1-CB 4.11Å; L1867-A2075 HydrophobicContact CD2-CB 4.02Å; L1867-L2078 HydrophobicContact CD2-CD1 4.09Å |
| 1868 | I | 87.3 | Confident | 81 | Confident | 1.4 Ų | 1.4 | 25.4 Ų | 25.4 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.6 | -41.6 | 175.3 | -67.6 | -100.7 | 0 | 0 | 0 | 111.4 | Q1864 T1865 L1870 L1871 S1872 H1932 H1935 L1936 W1939 E1983 L2041 | Q1864-I1868 WeakPolarHBondContact O-CG1 3.39Å; Q1864-I1868 PolarHBondContact O-N 3.09Å; T1865-I1868 PolarHBondContact O-N 3.29Å; I1868-L1870 VanDerWaalsContact C-N 3.28Å; I1868-L1870 PolarHBondContact O-N 3.04Å; I1868-L1871 PolarHBondContact O-N 3.02Å; I1868-L1871 VanDerWaalsContact O-N 3.15Å; I1868-S1872 WeakPolarHBondContact O-CB 3.38Å; I1868-S1872 PolarHBondContact O-N 3.23Å; I1868-S1872 PolarHBondContact O-OG 3.11Å; I1868-S1872 VanDerWaalsContact O-OG 3.09Å; I1868-H1932 VanDerWaalsContact CD1-CD2 3.43Å; I1868-H1932 WeakPolarHBondContact CD1-CD2 3.33Å; I1868-H1932 WeakPolarHBondContact CG2-NE2 3.24Å; I1868-H1935 HydrophobicContact CD1-CB 4.38Å; I1868-L1936 HydrophobicContact CD1-CD1 4.45Å; I1868-L1936 HydrophobicContact CD1-CD2 3.62Å; I1868-L1936 HydrophobicContact CD1-CG 3.98Å; I1868-L1936 HydrophobicContact CG1-CD2 4.07Å; I1868-L1936 HydrophobicContact CG1-CG 4.38Å; I1868-L1936 HydrophobicContact CG2-CD2 4.48Å; I1868-W1939 HydrophobicContact CD1-CE3 3.89Å; I1868-W1939 HydrophobicContact CD1-CH2 4Å; I1868-W1939 HydrophobicContact CD1-CZ3 3.62Å; I1868-W1939 HydrophobicContact CG1-CH2 3.9Å; I1868-W1939 HydrophobicContact CG1-CZ3 3.58Å; I1868-W1939 VanDerWaalsContact CG1-CZ3 3.45Å; I1868-E1983 WeakPolarHBondContact CG2-OE1 3.36Å; I1868-L2041 HydrophobicContact CD1-CD1 4.03Å; I1868-L2041 HydrophobicContact CG1-CD1 4.13Å |
| 1869 | G | 82.9 | Confident | 81.7 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.2 | -32.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T1865 R1866 L1867 S1872 S1873 T2054 | T1865-G1869 WeakPolarHBondContact O-CA 3.34Å; T1865-G1869 PolarHBondContact O-N 3.04Å; R1866-G1869 PolarHBondContact O-N 2.94Å; L1867-G1869 VanDerWaalsContact C-N 3.32Å; L1867-G1869 PolarHBondContact O-N 3.49Å; G1869-S1872 WeakPolarHBondContact CA-OG 3.46Å; G1869-S1872 PolarHBondContact O-OG 3.37Å; G1869-S1873 VanDerWaalsContact O-CB 3.26Å; G1869-S1873 WeakPolarHBondContact O-CB 3.36Å; G1869-S1873 PolarHBondContact O-N 3.3Å; G1869-T2054 WeakPolarHBondContact O-CB 3.31Å; G1869-T2054 PolarHBondContact O-OG1 3.22Å |
| 1870 | L | 87.5 | Confident | 81.7 | Confident | 1.6 Ų | 1.6 | 16.2 Ų | 16.2 | 1% | 0.008 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -78.9 | -43.6 | 173.1 | -173.4 | 73.8 | 0 | 0 | 0 | 111.9 | I1765 R1866 L1867 I1868 S1872 S1873 I1875 P1876 F2050 T2054 V2068 A2071 | I1765-L1870 HydrophobicContact CD1-CD2 4.04Å; I1765-L1870 HydrophobicContact CG2-CD2 4.41Å; R1866-L1870 PolarHBondContact O-N 3.16Å; R1866-L1870 VanDerWaalsContact O-N 3.1Å; L1867-L1870 PolarHBondContact O-N 3.06Å; I1868-L1870 VanDerWaalsContact C-N 3.28Å; I1868-L1870 PolarHBondContact O-N 3.04Å; L1870-S1872 VanDerWaalsContact C-N 3.28Å; L1870-S1872 PolarHBondContact O-N 3.23Å; L1870-S1873 VanDerWaalsContact O-CB 3.3Å; L1870-S1873 WeakPolarHBondContact O-CB 3.31Å; L1870-S1873 PolarHBondContact O-N 3.18Å; L1870-S1873 PolarHBondContact O-OG 3.04Å; L1870-I1875 HydrophobicContact CD1-CB 3.93Å; L1870-I1875 HydrophobicContact CD1-CD1 4.15Å; L1870-I1875 HydrophobicContact CD1-CG2 3.92Å; L1870-P1876 HydrophobicContact CD1-CG 4.33Å; L1870-P1876 HydrophobicContact CD2-CG 4.37Å; L1870-P1876 HydrophobicContact CG-CG 4.12Å; L1870-P1876 WeakPolarHBondContact O-CD 3.49Å; L1870-P1876 WeakPolarHBondContact O-CG 3.31Å; L1870-F2050 HydrophobicContact CB-CE1 4.42Å; L1870-T2054 HydrophobicContact CD1-CG2 4.11Å; L1870-V2068 HydrophobicContact CD1-CG2 4.12Å; L1870-V2068 HydrophobicContact CD2-CB 4.45Å; L1870-V2068 HydrophobicContact CD2-CG1 4.45Å; L1870-V2068 HydrophobicContact CD2-CG2 4.15Å; L1870-A2071 HydrophobicContact CB-CB 4.03Å; L1870-A2071 HydrophobicContact CD2-CB 3.32Å; L1870-A2071 HydrophobicContact CG-CB 4.24Å |
| 1871 | L | 85.5 | Confident | 81.3 | Confident | 6.4 Ų | 6.4 | 16.9 Ų | 16.9 | 3% | 0.034 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66 | -27.7 | -179.2 | -72.9 | 171.3 | 0 | 0 | 0 | 113.2 | I1765 L1867 I1868 S1873 L1928 A1931 H1932 H1935 | I1765-L1871 HydrophobicContact CG2-CD2 3.65Å; I1765-L1871 HydrophobicContact CG2-CG 4.24Å; L1867-L1871 HydrophobicContact CD1-CD1 4.25Å; L1867-L1871 HydrophobicContact CD1-CG 4.42Å; L1867-L1871 HydrophobicContact CG-CD1 4.12Å; L1867-L1871 WeakPolarHBondContact O-CB 3.38Å; L1867-L1871 VanDerWaalsContact O-CG 3.31Å; L1867-L1871 WeakPolarHBondContact O-CG 3.34Å; L1867-L1871 PolarHBondContact O-N 3.18Å; I1868-L1871 PolarHBondContact O-N 3.02Å; I1868-L1871 VanDerWaalsContact O-N 3.15Å; L1871-S1873 VanDerWaalsContact C-N 3.32Å; L1871-L1928 HydrophobicContact CD2-CD1 3.44Å; L1871-L1928 VanDerWaalsContact CD2-CD1 3.41Å; L1871-L1928 HydrophobicContact CD2-CG 4.18Å; L1871-A1931 HydrophobicContact CD2-CB 4.43Å; L1871-H1932 HydrophobicContact CB-CB 4.12Å; L1871-H1932 HydrophobicContact CD1-CB 4.32Å; L1871-H1935 WeakPolarHBondContact CD1-CD2 3.19Å |
| 1872 | S | 80.3 | Confident | 80.9 | Confident | 41.8 Ų | 41.8 | 17.9 Ų | 17.9 | 29% | 0.292 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -13.4 | 172.3 | 19.4 | 0 | 0 | 0 | 0 | 113.4 | I1868 G1869 L1870 H1932 L1996 H2055 | I1868-S1872 WeakPolarHBondContact O-CB 3.38Å; I1868-S1872 PolarHBondContact O-N 3.23Å; I1868-S1872 PolarHBondContact O-OG 3.11Å; I1868-S1872 VanDerWaalsContact O-OG 3.09Å; G1869-S1872 WeakPolarHBondContact CA-OG 3.46Å; G1869-S1872 PolarHBondContact O-OG 3.37Å; L1870-S1872 VanDerWaalsContact C-N 3.28Å; L1870-S1872 PolarHBondContact O-N 3.23Å; S1872-H1932 PolarHBondContact OG-CE1 3.15Å; S1872-H1932 VanDerWaalsContact OG-CE1 3.24Å; S1872-L1996 WeakPolarHBondContact O-CD2 3.47Å; S1872-H2055 PolarHBondContact O-CE1 3.16Å; S1872-H2055 PolarHBondContact OG-NE2 3.03Å; S1872-H2055 VanDerWaalsContact OG-NE2 3.17Å |
| 1873 | S | 79.1 | Confident | 80.5 | Confident | 3.4 Ų | 3.4 | 14.8 Ų | 14.8 | 2% | 0.024 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -88.4 | 160.1 | -176.9 | 91.7 | 0 | 0 | 0 | 0 | 112.2 | G1869 L1870 L1871 I1875 P1876 L1996 T2054 | G1869-S1873 VanDerWaalsContact O-CB 3.26Å; G1869-S1873 WeakPolarHBondContact O-CB 3.36Å; G1869-S1873 PolarHBondContact O-N 3.3Å; L1870-S1873 VanDerWaalsContact O-CB 3.3Å; L1870-S1873 WeakPolarHBondContact O-CB 3.31Å; L1870-S1873 PolarHBondContact O-N 3.18Å; L1870-S1873 PolarHBondContact O-OG 3.04Å; L1871-S1873 VanDerWaalsContact C-N 3.32Å; S1873-I1875 PolarHBondContact O-N 3.08Å; S1873-I1875 VanDerWaalsContact OG-CB 3.31Å; S1873-I1875 WeakPolarHBondContact OG-CB 3.47Å; S1873-I1875 VanDerWaalsContact OG-CG1 3.3Å; S1873-I1875 WeakPolarHBondContact OG-CG1 3.28Å; S1873-I1875 PolarHBondContact OG-N 3.31Å; S1873-P1876 VanDerWaalsContact O-CD 3.26Å; S1873-P1876 WeakPolarHBondContact O-CD 3.28Å; S1873-L1996 VanDerWaalsContact C-CD2 3.45Å; S1873-T2054 VanDerWaalsContact CB-O 3.27Å; S1873-T2054 WeakPolarHBondContact CB-O 3.3Å; S1873-T2054 PolarHBondContact OG-O 3.45Å |
| 1874 | P | 75.3 | Confident | 79.7 | Confident | 27.8 Ų | 27.8 | 14.4 Ų | 14.4 | 18% | 0.181 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -73.2 | -9.9 | 175.7 | 29.9 | -34.6 | 0 | 0 | 0 | 113.5 | I1877 I1878 L1916 L1996 | P1874-I1877 WeakPolarHBondContact O-CB 3.48Å; P1874-I1877 PolarHBondContact O-N 3.28Å; P1874-I1877 VanDerWaalsContact O-N 3.11Å; P1874-I1878 HydrophobicContact CB-CD1 4.17Å; P1874-I1878 HydrophobicContact CG-CD1 4.36Å; P1874-I1878 WeakPolarHBondContact O-CD1 3.38Å; P1874-I1878 VanDerWaalsContact O-CG1 3.26Å; P1874-I1878 WeakPolarHBondContact O-CG1 3.38Å; P1874-I1878 PolarHBondContact O-N 2.98Å; P1874-I1878 VanDerWaalsContact O-N 3.09Å; P1874-L1916 HydrophobicContact CB-CD1 4.3Å; P1874-L1916 HydrophobicContact CB-CD2 3.98Å; P1874-L1916 HydrophobicContact CB-CG 4.26Å; P1874-L1916 HydrophobicContact CG-CD2 3.87Å; P1874-L1996 HydrophobicContact CB-CD2 3.78Å; P1874-L1996 HydrophobicContact CG-CD2 4.22Å; P1874-L1996 VanDerWaalsContact N-CD2 3.33Å |
| 1875 | I | 81.7 | Confident | 78.6 | Confident | 3.4 Ų | 3.4 | 15.4 Ų | 15.4 | 2% | 0.017 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -55.2 | -47.3 | -172.5 | -65.9 | 175.2 | 0 | 0 | 0 | 113.5 | L1870 S1873 I1877 I1878 H1879 T2054 L2059 R2064 L2067 V2068 | L1870-I1875 HydrophobicContact CD1-CB 3.93Å; L1870-I1875 HydrophobicContact CD1-CD1 4.15Å; L1870-I1875 HydrophobicContact CD1-CG2 3.92Å; S1873-I1875 PolarHBondContact O-N 3.08Å; S1873-I1875 VanDerWaalsContact OG-CB 3.31Å; S1873-I1875 WeakPolarHBondContact OG-CB 3.47Å; S1873-I1875 VanDerWaalsContact OG-CG1 3.3Å; S1873-I1875 WeakPolarHBondContact OG-CG1 3.28Å; S1873-I1875 PolarHBondContact OG-N 3.31Å; I1875-I1877 VanDerWaalsContact C-N 3.31Å; I1875-I1877 PolarHBondContact O-N 2.93Å; I1875-I1878 WeakPolarHBondContact O-CB 3.36Å; I1875-I1878 PolarHBondContact O-N 3.01Å; I1875-H1879 VanDerWaalsContact CG2-CD2 3.43Å; I1875-H1879 WeakPolarHBondContact CG2-CD2 3.29Å; I1875-H1879 VanDerWaalsContact CG2-CE1 3.48Å; I1875-H1879 WeakPolarHBondContact CG2-CE1 3.19Å; I1875-H1879 WeakPolarHBondContact CG2-NE2 3.39Å; I1875-H1879 PolarHBondContact O-CD2 3.09Å; I1875-H1879 VanDerWaalsContact O-CD2 3.24Å; I1875-H1879 PolarHBondContact O-N 3.15Å; I1875-T2054 HydrophobicContact CD1-CG2 4.14Å; I1875-T2054 WeakPolarHBondContact CD1-O 3.44Å; I1875-L2059 HydrophobicContact CD1-CD1 4.3Å; I1875-L2059 HydrophobicContact CD1-CD2 4.46Å; I1875-R2064 HydrophobicContact CD1-CG 4.39Å; I1875-R2064 HydrophobicContact CG1-CG 4.36Å; I1875-R2064 HydrophobicContact CG2-CB 4.32Å; I1875-L2067 HydrophobicContact CD1-CB 4.43Å; I1875-L2067 HydrophobicContact CD1-CD1 3.74Å; I1875-V2068 HydrophobicContact CG2-CG2 3.64Å |
| 1876 | P | 80.6 | Confident | 77.7 | Confident | 9.4 Ų | 9.4 | 18.4 Ų | 18.4 | 6% | 0.061 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.3 | -36.5 | -179.4 | -22.2 | 34.9 | 0 | 0 | 0 | 112.9 | L1870 S1873 H1879 H1880 L1928 | L1870-P1876 HydrophobicContact CD1-CG 4.33Å; L1870-P1876 HydrophobicContact CD2-CG 4.37Å; L1870-P1876 HydrophobicContact CG-CG 4.12Å; L1870-P1876 WeakPolarHBondContact O-CD 3.49Å; L1870-P1876 WeakPolarHBondContact O-CG 3.31Å; S1873-P1876 VanDerWaalsContact O-CD 3.26Å; S1873-P1876 WeakPolarHBondContact O-CD 3.28Å; P1876-H1879 PolarHBondContact O-N 3.03Å; P1876-H1880 WeakPolarHBondContact O-CB 3.47Å; P1876-H1880 PolarHBondContact O-N 3.3Å; P1876-H1880 VanDerWaalsContact O-N 3.09Å; P1876-H1880 PolarHBondContact O-ND1 3.28Å; P1876-H1880 VanDerWaalsContact O-ND1 3.15Å; P1876-L1928 HydrophobicContact CB-CD1 3.79Å; P1876-L1928 HydrophobicContact CB-CD2 3.82Å; P1876-L1928 HydrophobicContact CB-CG 4.3Å; P1876-L1928 HydrophobicContact CG-CD1 4.06Å; P1876-L1928 HydrophobicContact CG-CD2 4.04Å |
| 1877 | I | 75.2 | Confident | 76.6 | Confident | 20.2 Ų | 20.2 | 16.8 Ų | 16.8 | 10% | 0.104 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65 | -46.9 | 176.3 | -60.5 | 173.7 | 0 | 0 | 0 | 109.6 | P1874 I1875 H1879 H1880 W1881 D1925 L1928 | P1874-I1877 WeakPolarHBondContact O-CB 3.48Å; P1874-I1877 PolarHBondContact O-N 3.28Å; P1874-I1877 VanDerWaalsContact O-N 3.11Å; I1875-I1877 VanDerWaalsContact C-N 3.31Å; I1875-I1877 PolarHBondContact O-N 2.93Å; I1877-H1879 VanDerWaalsContact C-N 3.29Å; I1877-H1879 PolarHBondContact O-N 3.22Å; I1877-H1880 WeakPolarHBondContact O-CB 3.42Å; I1877-H1880 PolarHBondContact O-N 3.18Å; I1877-W1881 HydrophobicContact CG2-CD2 4.24Å; I1877-W1881 VanDerWaalsContact CG2-CE2 3.47Å; I1877-W1881 HydrophobicContact CG2-CH2 3.91Å; I1877-W1881 HydrophobicContact CG2-CZ2 3.48Å; I1877-W1881 HydrophobicContact CG2-CZ3 4.36Å; I1877-W1881 PolarHBondContact O-N 3.07Å; I1877-W1881 VanDerWaalsContact O-N 3.13Å; I1877-D1925 HydrophobicContact CD1-CB 4.39Å; I1877-D1925 HydrophobicContact CG1-CB 4.29Å; I1877-L1928 HydrophobicContact CD1-CD2 4.42Å; I1877-L1928 HydrophobicContact CG1-CD2 4.09Å |
| 1878 | I | 74.7 | Confident | 75.3 | Confident | 22.2 Ų | 22.2 | 18.2 Ų | 18.2 | 11% | 0.114 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.2 | -41 | 178.1 | -61.9 | 160.6 | 0 | 0 | 0 | 111.3 | P1874 I1875 W1881 Y1882 M1913 L1916 | P1874-I1878 HydrophobicContact CB-CD1 4.17Å; P1874-I1878 HydrophobicContact CG-CD1 4.36Å; P1874-I1878 WeakPolarHBondContact O-CD1 3.38Å; P1874-I1878 VanDerWaalsContact O-CG1 3.26Å; P1874-I1878 WeakPolarHBondContact O-CG1 3.38Å; P1874-I1878 PolarHBondContact O-N 2.98Å; P1874-I1878 VanDerWaalsContact O-N 3.09Å; I1875-I1878 WeakPolarHBondContact O-CB 3.36Å; I1875-I1878 PolarHBondContact O-N 3.01Å; I1878-W1881 WeakPolarHBondContact O-CB 3.47Å; I1878-W1881 PolarHBondContact O-N 3.05Å; I1878-Y1882 VanDerWaalsContact O-CB 3.24Å; I1878-Y1882 WeakPolarHBondContact O-CB 3.35Å; I1878-Y1882 PolarHBondContact O-N 3.11Å; I1878-M1913 HydrophobicContact CB-CE 4.42Å; I1878-M1913 HydrophobicContact CD1-CE 3.56Å; I1878-M1913 HydrophobicContact CD1-SD 4.1Å; I1878-M1913 HydrophobicContact CG1-CE 4.12Å; I1878-M1913 HydrophobicContact CG1-SD 4.26Å; I1878-M1913 HydrophobicContact CG2-CE 3.79Å; I1878-M1913 HydrophobicContact CG2-SD 4.35Å; I1878-L1916 HydrophobicContact CD1-CD1 3.94Å; I1878-L1916 HydrophobicContact CD1-CD2 3.75Å; I1878-L1916 VanDerWaalsContact CD1-CD2 3.43Å; I1878-L1916 HydrophobicContact CD1-CG 4.37Å; I1878-L1916 HydrophobicContact CG1-CD1 3.74Å; I1878-L1916 HydrophobicContact CG1-CD2 3.67Å; I1878-L1916 HydrophobicContact CG1-CG 4.36Å |
| 1879 | H | 78 | Confident | 73.9 | Confident | 2.2 Ų | 2.2 | 19.8 Ų | 19.8 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.9 | -42 | 178.4 | -77.3 | -92.5 | 0 | 0 | 0 | 112.5 | L1616 F1621 I1875 P1876 I1877 W1881 Y1882 F1883 R2064 F2065 V2068 | L1616-H1879 HydrophobicContact CD2-CB 3.98Å; F1621-H1879 AromaticContact CD1-CE1 3.97Å; F1621-H1879 AromaticContact CD1-ND1 3.9Å; F1621-H1879 HydrophobicContact CE1-CB 4.35Å; F1621-H1879 AromaticContact CE1-CD2 3.83Å; F1621-H1879 AromaticContact CE1-CE1 3.52Å; F1621-H1879 VanDerWaalsContact CE1-CE1 3.43Å; F1621-H1879 WeakPolarHBondContact CE1-CE1 3.32Å; F1621-H1879 AromaticContact CE1-CG 3.68Å; F1621-H1879 AromaticContact CE1-ND1 3.33Å; F1621-H1879 VanDerWaalsContact CE1-ND1 3.32Å; F1621-H1879 WeakPolarHBondContact CE1-ND1 3.49Å; F1621-H1879 AromaticContact CE1-NE2 3.87Å; F1621-H1879 HydrophobicContact CZ-CB 4.01Å; F1621-H1879 AromaticContact CZ-CE1 3.95Å; F1621-H1879 AromaticContact CZ-CG 3.74Å; F1621-H1879 AromaticContact CZ-ND1 3.48Å; F1621-H1879 WeakPolarHBondContact CZ-ND1 3.37Å; I1875-H1879 VanDerWaalsContact CG2-CD2 3.43Å; I1875-H1879 WeakPolarHBondContact CG2-CD2 3.29Å; I1875-H1879 VanDerWaalsContact CG2-CE1 3.48Å; I1875-H1879 WeakPolarHBondContact CG2-CE1 3.19Å; I1875-H1879 WeakPolarHBondContact CG2-NE2 3.39Å; I1875-H1879 PolarHBondContact O-CD2 3.09Å; I1875-H1879 VanDerWaalsContact O-CD2 3.24Å; I1875-H1879 PolarHBondContact O-N 3.15Å; P1876-H1879 PolarHBondContact O-N 3.03Å; I1877-H1879 VanDerWaalsContact C-N 3.29Å; I1877-H1879 PolarHBondContact O-N 3.22Å; H1879-W1881 VanDerWaalsContact C-N 3.31Å; H1879-W1881 PolarHBondContact O-N 3.18Å; H1879-Y1882 PolarHBondContact O-N 3.03Å; H1879-F1883 HydrophobicContact CB-CD2 4.25Å; H1879-F1883 HydrophobicContact CB-CE2 4.24Å; H1879-F1883 AromaticContact ND1-CE2 3.69Å; H1879-F1883 WeakPolarHBondContact O-CD2 3.43Å; H1879-F1883 PolarHBondContact O-N 3.23Å; H1879-R2064 WeakPolarHBondContact NE2-CB 3.45Å; H1879-F2065 AromaticContact CE1-CD2 3.55Å; H1879-F2065 WeakPolarHBondContact CE1-CD2 3.48Å; H1879-F2065 AromaticContact CE1-CE2 3.51Å; H1879-F2065 VanDerWaalsContact CE1-CE2 3.42Å; H1879-F2065 WeakPolarHBondContact CE1-CE2 3.44Å; H1879-F2065 AromaticContact ND1-CE2 3.71Å; H1879-F2065 AromaticContact NE2-CD2 3.63Å; H1879-F2065 AromaticContact NE2-CE2 3.64Å; H1879-V2068 VanDerWaalsContact CE1-CG2 3.43Å; H1879-V2068 WeakPolarHBondContact CE1-CG2 3.3Å |
| 1880 | H | 75.2 | Confident | 72.8 | Confident | 9.6 Ų | 9.6 | 24.3 Ų | 24.3 | 4% | 0.044 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -55.2 | -43.6 | 174.1 | -115.7 | 75.9 | 0 | 0 | 0 | 111.5 | E1548 R1552 L1616 E1766 P1876 I1877 S1884 Y1924 | E1548-H1880 IonicContact OE1-CD2 3.84Å; R1552-H1880 WeakPolarHBondContact CD-NE2 3.03Å; R1552-H1880 PolarHBondContact NH1-CD2 3.36Å; R1552-H1880 VanDerWaalsContact NH1-CD2 3.33Å; R1552-H1880 PolarHBondContact NH1-NE2 2.94Å; R1552-H1880 PolarHBondContact NH2-CE1 3.21Å; R1552-H1880 PolarHBondContact NH2-NE2 3.32Å; L1616-H1880 WeakPolarHBondContact CB-CE1 2.95Å; E1766-H1880 VanDerWaalsContact CD-CE1 3.46Å; E1766-H1880 IonicContact OE1-CE1 3.59Å; E1766-H1880 PolarHBondContact OE1-CE1 3.16Å; E1766-H1880 IonicContact OE1-ND1 3.38Å; E1766-H1880 IonicContact OE1-NE2 2.71Å; E1766-H1880 IonicContact OE2-CE1 3.12Å; E1766-H1880 PolarHBondContact OE2-CE1 3.33Å; E1766-H1880 IonicContact OE2-NE2 3.46Å; E1766-H1880 PolarHBondContact OE2-NE2 3.28Å; P1876-H1880 WeakPolarHBondContact O-CB 3.47Å; P1876-H1880 PolarHBondContact O-N 3.3Å; P1876-H1880 VanDerWaalsContact O-N 3.09Å; P1876-H1880 PolarHBondContact O-ND1 3.28Å; P1876-H1880 VanDerWaalsContact O-ND1 3.15Å; I1877-H1880 WeakPolarHBondContact O-CB 3.42Å; I1877-H1880 PolarHBondContact O-N 3.18Å; H1880-S1884 VanDerWaalsContact O-CB 3.27Å; H1880-S1884 WeakPolarHBondContact O-CB 3.35Å; H1880-S1884 PolarHBondContact O-N 3.18Å; H1880-Y1924 AromaticContact CD2-CD1 3.5Å; H1880-Y1924 VanDerWaalsContact CD2-CD1 3.5Å; H1880-Y1924 WeakPolarHBondContact CD2-CD1 3.33Å; H1880-Y1924 AromaticContact CD2-CD2 3.51Å; H1880-Y1924 AromaticContact CD2-CE1 3.27Å; H1880-Y1924 WeakPolarHBondContact CD2-CE1 3.37Å; H1880-Y1924 AromaticContact CD2-CE2 3.28Å; H1880-Y1924 WeakPolarHBondContact CD2-CE2 3.46Å; H1880-Y1924 AromaticContact CD2-CG 3.65Å; H1880-Y1924 AromaticContact CD2-CZ 3.15Å; H1880-Y1924 AromaticContact CE1-CD1 3.8Å; H1880-Y1924 AromaticContact CE1-CE1 3.27Å; H1880-Y1924 WeakPolarHBondContact CE1-CE1 3.22Å; H1880-Y1924 AromaticContact CE1-CZ 3.72Å; H1880-Y1924 AromaticContact CG-CD1 3.77Å; H1880-Y1924 AromaticContact CG-CE1 3.89Å; H1880-Y1924 AromaticContact ND1-CD1 3.98Å; H1880-Y1924 AromaticContact ND1-CE1 3.91Å; H1880-Y1924 AromaticContact NE2-CD1 3.56Å; H1880-Y1924 AromaticContact NE2-CE1 2.86Å; H1880-Y1924 WeakPolarHBondContact NE2-CE1 3.3Å; H1880-Y1924 AromaticContact NE2-CE2 3.49Å; H1880-Y1924 WeakPolarHBondContact NE2-CE2 3.35Å; H1880-Y1924 AromaticContact NE2-CZ 2.82Å; H1880-Y1924 PolarHBondContact NE2-OH 3.47Å |
| 1881 | W | 71 | Confident | 71 | Confident | 39.4 Ų | 39.4 | 30.3 Ų | 30.3 | 15% | 0.149 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.2 | -51.7 | 178 | -70.1 | 23.2 | 0 | 0 | 0 | 112 | L1538 F1542 H1549 I1877 I1878 H1879 F1883 S1884 F1885 L1916 L1919 Y1923 | L1538-W1881 HydrophobicContact CD2-CZ3 4.34Å; F1542-W1881 AromaticContact CD1-CH2 3.96Å; F1542-W1881 HydrophobicContact CD1-CH2 3.96Å; F1542-W1881 HydrophobicContact CD1-CZ2 4.29Å; F1542-W1881 HydrophobicContact CD1-CZ3 4.39Å; F1542-W1881 HydrophobicContact CD2-CE3 4.32Å; F1542-W1881 AromaticContact CD2-CH2 3.84Å; F1542-W1881 HydrophobicContact CD2-CH2 4.14Å; F1542-W1881 HydrophobicContact CD2-CZ2 4.35Å; F1542-W1881 AromaticContact CD2-CZ3 3.82Å; F1542-W1881 HydrophobicContact CD2-CZ3 3.82Å; F1542-W1881 AromaticContact CE1-CH2 2.99Å; F1542-W1881 HydrophobicContact CE1-CH2 2.99Å; F1542-W1881 AromaticContact CE1-CZ2 3.19Å; F1542-W1881 HydrophobicContact CE1-CZ2 3.63Å; F1542-W1881 AromaticContact CE1-CZ3 3.8Å; F1542-W1881 HydrophobicContact CE1-CZ3 3.8Å; F1542-W1881 AromaticContact CE2-CD2 3.91Å; F1542-W1881 HydrophobicContact CE2-CD2 3.91Å; F1542-W1881 AromaticContact CE2-CE2 3.63Å; F1542-W1881 AromaticContact CE2-CE3 3.83Å; F1542-W1881 HydrophobicContact CE2-CE3 3.83Å; F1542-W1881 AromaticContact CE2-CH2 3.41Å; F1542-W1881 HydrophobicContact CE2-CH2 3.41Å; F1542-W1881 AromaticContact CE2-CZ2 3.3Å; F1542-W1881 HydrophobicContact CE2-CZ2 3.3Å; F1542-W1881 AromaticContact CE2-CZ3 3.49Å; F1542-W1881 HydrophobicContact CE2-CZ3 3.85Å; F1542-W1881 VanDerWaalsContact CE2-CZ3 3.49Å; F1542-W1881 AromaticContact CZ-CH2 3.36Å; F1542-W1881 HydrophobicContact CZ-CH2 3.61Å; F1542-W1881 AromaticContact CZ-CZ2 3.63Å; F1542-W1881 HydrophobicContact CZ-CZ2 3.63Å; F1542-W1881 VanDerWaalsContact CZ-CZ2 3.42Å; F1542-W1881 AromaticContact CZ-CZ3 3.82Å; F1542-W1881 HydrophobicContact CZ-CZ3 3.82Å; H1549-W1881 AromaticContact CD2-NE1 3.81Å; H1549-W1881 AromaticContact CE1-CD1 3.65Å; H1549-W1881 VanDerWaalsContact CE1-CD1 3.45Å; H1549-W1881 AromaticContact CE1-NE1 3.61Å; H1549-W1881 AromaticContact NE2-CD1 3.39Å; H1549-W1881 AromaticContact NE2-NE1 3.09Å; H1549-W1881 PolarHBondContact NE2-NE1 3.12Å; I1877-W1881 HydrophobicContact CG2-CD2 4.24Å; I1877-W1881 VanDerWaalsContact CG2-CE2 3.47Å; I1877-W1881 HydrophobicContact CG2-CH2 3.91Å; I1877-W1881 HydrophobicContact CG2-CZ2 3.48Å; I1877-W1881 HydrophobicContact CG2-CZ3 4.36Å; I1877-W1881 PolarHBondContact O-N 3.07Å; I1877-W1881 VanDerWaalsContact O-N 3.13Å; I1878-W1881 WeakPolarHBondContact O-CB 3.47Å; I1878-W1881 PolarHBondContact O-N 3.05Å; H1879-W1881 VanDerWaalsContact C-N 3.31Å; H1879-W1881 PolarHBondContact O-N 3.18Å; W1881-F1883 VanDerWaalsContact C-N 3.31Å; W1881-F1883 PolarHBondContact O-N 3.14Å; W1881-S1884 WeakPolarHBondContact O-CB 3.32Å; W1881-S1884 PolarHBondContact O-N 3.01Å; W1881-S1884 VanDerWaalsContact O-N 3.1Å; W1881-F1885 HydrophobicContact CB-CE2 4.09Å; W1881-F1885 AromaticContact CE3-CE2 3.98Å; W1881-F1885 HydrophobicContact CE3-CE2 4.23Å; W1881-F1885 HydrophobicContact CE3-CZ 4.23Å; W1881-F1885 WeakPolarHBondContact O-CB 3.43Å; W1881-F1885 WeakPolarHBondContact O-CD2 3.37Å; W1881-F1885 WeakPolarHBondContact O-CE2 3.45Å; W1881-F1885 PolarHBondContact O-N 3.01Å; W1881-F1885 VanDerWaalsContact O-N 3.11Å; W1881-L1916 HydrophobicContact CZ3-CD1 4.12Å; W1881-L1919 HydrophobicContact CD2-CD2 4.11Å; W1881-L1919 HydrophobicContact CE3-CD2 3.55Å; W1881-L1919 HydrophobicContact CE3-CG 4.43Å; W1881-L1919 HydrophobicContact CH2-CB 3.92Å; W1881-L1919 VanDerWaalsContact CH2-CB 3.47Å; W1881-L1919 HydrophobicContact CH2-CD1 4.15Å; W1881-L1919 HydrophobicContact CH2-CD2 3.44Å; W1881-L1919 HydrophobicContact CH2-CG 3.89Å; W1881-L1919 HydrophobicContact CZ2-CD2 3.8Å; W1881-L1919 VanDerWaalsContact CZ2-CD2 3.42Å; W1881-L1919 HydrophobicContact CZ2-CG 3.81Å; W1881-L1919 HydrophobicContact CZ3-CB 4.05Å; W1881-L1919 HydrophobicContact CZ3-CD1 4.22Å; W1881-L1919 HydrophobicContact CZ3-CD2 3.4Å; W1881-L1919 HydrophobicContact CZ3-CG 3.88Å; W1881-Y1923 AromaticContact CH2-CD2 3.4Å; W1881-Y1923 HydrophobicContact CH2-CD2 3.4Å; W1881-Y1923 AromaticContact CH2-CE2 3.78Å; W1881-Y1923 HydrophobicContact CH2-CE2 3.78Å; W1881-Y1923 HydrophobicContact CH2-CG 4.13Å; W1881-Y1923 AromaticContact CZ2-CD2 3.52Å; W1881-Y1923 HydrophobicContact CZ2-CD2 4Å; W1881-Y1923 HydrophobicContact CZ2-CE2 4.25Å; W1881-Y1923 AromaticContact CZ2-CG 3.85Å; W1881-Y1923 HydrophobicContact CZ2-CG 4.01Å |
| 1882 | Y | 71.4 | Confident | 69.3 | Low | 43.2 Ų | 43.2 | 32.2 Ų | 32.2 | 17% | 0.169 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -54.6 | -47.3 | -178.6 | 179.1 | -94.1 | 0 | 0 | 0 | 111.8 | I1878 H1879 F1885 Y1886 F1900 L1909 R2061 F2065 | I1878-Y1882 VanDerWaalsContact O-CB 3.24Å; I1878-Y1882 WeakPolarHBondContact O-CB 3.35Å; I1878-Y1882 PolarHBondContact O-N 3.11Å; H1879-Y1882 PolarHBondContact O-N 3.03Å; Y1882-F1885 WeakPolarHBondContact O-CB 3.4Å; Y1882-F1885 PolarHBondContact O-N 3.02Å; Y1882-Y1886 HydrophobicContact CE1-CD2 4.4Å; Y1882-Y1886 VanDerWaalsContact O-CB 3.27Å; Y1882-Y1886 WeakPolarHBondContact O-CB 3.27Å; Y1882-Y1886 PolarHBondContact O-N 3.16Å; Y1882-Y1886 VanDerWaalsContact O-N 3.14Å; Y1882-F1900 WeakPolarHBondContact OH-CE1 3.21Å; Y1882-L1909 HydrophobicContact CD2-CD1 3.77Å; Y1882-L1909 HydrophobicContact CD2-CD2 4.3Å; Y1882-L1909 HydrophobicContact CE2-CD1 4.4Å; Y1882-R2061 VanDerWaalsContact OH-CZ 3.32Å; Y1882-R2061 PolarHBondContact OH-NH1 3.18Å; Y1882-F2065 HydrophobicContact CE1-CZ 4.38Å |
| 1883 | F | 73.1 | Confident | 67.6 | Low | 2.6 Ų | 2.6 | 33.6 Ų | 33.6 | 1% | 0.011 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -75.7 | -32.9 | -179.6 | -70.3 | -63.9 | 0 | 0 | 0 | 113.3 | L1616 Y1620 F1621 Q1644 Y1645 H1879 W1881 F1885 Y1886 D1887 F2065 | L1616-F1883 HydrophobicContact CD1-CB 4.42Å; L1616-F1883 HydrophobicContact CD1-CD2 3.77Å; L1616-F1883 HydrophobicContact CD1-CE2 4.38Å; L1616-F1883 HydrophobicContact CD1-CG 4.38Å; Y1620-F1883 HydrophobicContact CD1-CE1 4.42Å; Y1620-F1883 HydrophobicContact CD1-CZ 4.12Å; Y1620-F1883 AromaticContact CE1-CE1 3.78Å; Y1620-F1883 HydrophobicContact CE1-CE1 3.78Å; Y1620-F1883 AromaticContact CE1-CZ 3.65Å; Y1620-F1883 HydrophobicContact CE1-CZ 3.65Å; F1621-F1883 AromaticContact CE1-CE2 3.54Å; F1621-F1883 HydrophobicContact CE1-CE2 3.54Å; F1621-F1883 AromaticContact CE1-CZ 3.81Å; F1621-F1883 HydrophobicContact CE1-CZ 3.94Å; F1621-F1883 HydrophobicContact CE2-CE2 4.43Å; F1621-F1883 HydrophobicContact CZ-CD2 4.25Å; F1621-F1883 AromaticContact CZ-CE2 3.42Å; F1621-F1883 HydrophobicContact CZ-CE2 3.42Å; F1621-F1883 VanDerWaalsContact CZ-CE2 3.48Å; F1621-F1883 AromaticContact CZ-CZ 3.97Å; F1621-F1883 HydrophobicContact CZ-CZ 4.16Å; Q1644-F1883 HydrophobicContact CB-CD1 3.95Å; Q1644-F1883 HydrophobicContact CB-CE1 4.27Å; Q1644-F1883 HydrophobicContact CB-CG 4.25Å; Q1644-F1883 HydrophobicContact CG-CD1 3.81Å; Q1644-F1883 HydrophobicContact CG-CE1 3.85Å; Q1644-F1883 HydrophobicContact CG-CG 4.41Å; Q1644-F1883 VanDerWaalsContact OE1-CD1 3.28Å; Y1645-F1883 HydrophobicContact CE2-CB 3.98Å; Y1645-F1883 WeakPolarHBondContact OH-CB 3.46Å; Y1645-F1883 PolarHBondContact OH-O 3.46Å; H1879-F1883 HydrophobicContact CB-CD2 4.25Å; H1879-F1883 HydrophobicContact CB-CE2 4.24Å; H1879-F1883 AromaticContact ND1-CE2 3.69Å; H1879-F1883 WeakPolarHBondContact O-CD2 3.43Å; H1879-F1883 PolarHBondContact O-N 3.23Å; W1881-F1883 VanDerWaalsContact C-N 3.31Å; W1881-F1883 PolarHBondContact O-N 3.14Å; F1883-F1885 VanDerWaalsContact C-N 3.33Å; F1883-F1885 PolarHBondContact O-N 3.26Å; F1883-Y1886 WeakPolarHBondContact O-CA 3.31Å; F1883-Y1886 WeakPolarHBondContact O-CB 3.39Å; F1883-Y1886 PolarHBondContact O-N 3.09Å; F1883-D1887 VanDerWaalsContact O-CB 3.23Å; F1883-D1887 WeakPolarHBondContact O-CB 3.37Å; F1883-D1887 PolarHBondContact O-N 3.27Å; F1883-D1887 VanDerWaalsContact O-N 3.11Å; F1883-F2065 HydrophobicContact CE1-CZ 4.29Å; F1883-F2065 HydrophobicContact CE2-CZ 4.34Å; F1883-F2065 AromaticContact CZ-CE1 3.94Å; F1883-F2065 HydrophobicContact CZ-CE1 4.1Å; F1883-F2065 HydrophobicContact CZ-CE2 4.29Å; F1883-F2065 AromaticContact CZ-CZ 3.61Å; F1883-F2065 HydrophobicContact CZ-CZ 3.61Å; F1883-F2065 VanDerWaalsContact CZ-CZ 3.49Å |
| 1884 | S | 68.9 | Low | 66.3 | Low | 6.6 Ų | 6.6 | 42.1 Ų | 42.1 | 5% | 0.046 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.1 | -37.3 | 174.6 | -166.9 | 0 | 0 | 0 | 0 | 110.9 | S1545 E1548 R1614 Y1645 H1880 W1881 I1888 | S1545-S1884 WeakPolarHBondContact CB-OG 3.45Å; S1545-S1884 PolarHBondContact OG-OG 2.97Å; E1548-S1884 VanDerWaalsContact OE2-CB 3.24Å; E1548-S1884 WeakPolarHBondContact OE2-CB 3.27Å; E1548-S1884 PolarHBondContact OE2-OG 2.98Å; R1614-S1884 PolarHBondContact NH2-OG 3.01Å; Y1645-S1884 VanDerWaalsContact OH-CA 3.28Å; Y1645-S1884 WeakPolarHBondContact OH-CA 3.39Å; Y1645-S1884 PolarHBondContact OH-N 3.15Å; H1880-S1884 VanDerWaalsContact O-CB 3.27Å; H1880-S1884 WeakPolarHBondContact O-CB 3.35Å; H1880-S1884 PolarHBondContact O-N 3.18Å; W1881-S1884 WeakPolarHBondContact O-CB 3.32Å; W1881-S1884 PolarHBondContact O-N 3.01Å; W1881-S1884 VanDerWaalsContact O-N 3.1Å; S1884-I1888 VanDerWaalsContact O-CD1 3.25Å; S1884-I1888 WeakPolarHBondContact O-CD1 3.24Å; S1884-I1888 VanDerWaalsContact O-CG1 3.3Å; S1884-I1888 WeakPolarHBondContact O-CG1 3.44Å; S1884-I1888 PolarHBondContact O-N 3.09Å |
| 1885 | F | 64.9 | Low | 65 | Low | 25.8 Ų | 25.8 | 47.7 Ų | 47.7 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -74.6 | -46.7 | 174.7 | -104.5 | -73.9 | 0 | 0 | 0 | 112.3 | I1521 L1541 S1545 W1881 Y1882 F1883 D1887 I1888 F1889 L1907 M1913 | I1521-F1885 HydrophobicContact CD1-CE2 4.22Å; I1521-F1885 HydrophobicContact CD1-CZ 4.19Å; L1541-F1885 HydrophobicContact CB-CE1 3.67Å; L1541-F1885 HydrophobicContact CB-CE2 4.49Å; L1541-F1885 HydrophobicContact CB-CZ 3.67Å; L1541-F1885 HydrophobicContact CD2-CB 4.48Å; L1541-F1885 HydrophobicContact CD2-CD1 3.77Å; L1541-F1885 HydrophobicContact CD2-CD2 3.87Å; L1541-F1885 HydrophobicContact CD2-CE1 3.75Å; L1541-F1885 HydrophobicContact CD2-CE2 3.45Å; L1541-F1885 VanDerWaalsContact CD2-CE2 3.45Å; L1541-F1885 HydrophobicContact CD2-CG 4.14Å; L1541-F1885 HydrophobicContact CD2-CZ 4.21Å; L1541-F1885 HydrophobicContact CG-CD2 4.35Å; L1541-F1885 HydrophobicContact CG-CE1 4.28Å; L1541-F1885 HydrophobicContact CG-CE2 4.15Å; L1541-F1885 HydrophobicContact CG-CZ 4.37Å; L1541-F1885 WeakPolarHBondContact O-CE1 3.3Å; S1545-F1885 WeakPolarHBondContact OG-CE1 3.31Å; W1881-F1885 HydrophobicContact CB-CE2 4.09Å; W1881-F1885 AromaticContact CE3-CE2 3.98Å; W1881-F1885 HydrophobicContact CE3-CE2 4.23Å; W1881-F1885 HydrophobicContact CE3-CZ 4.23Å; W1881-F1885 WeakPolarHBondContact O-CB 3.43Å; W1881-F1885 WeakPolarHBondContact O-CD2 3.37Å; W1881-F1885 WeakPolarHBondContact O-CE2 3.45Å; W1881-F1885 PolarHBondContact O-N 3.01Å; W1881-F1885 VanDerWaalsContact O-N 3.11Å; Y1882-F1885 WeakPolarHBondContact O-CB 3.4Å; Y1882-F1885 PolarHBondContact O-N 3.02Å; F1883-F1885 VanDerWaalsContact C-N 3.33Å; F1883-F1885 PolarHBondContact O-N 3.26Å; F1885-D1887 VanDerWaalsContact C-N 3.28Å; F1885-D1887 PolarHBondContact O-N 2.96Å; F1885-I1888 WeakPolarHBondContact O-CB 3.3Å; F1885-I1888 PolarHBondContact O-N 3.23Å; F1885-F1889 HydrophobicContact CB-CD2 4.38Å; F1885-F1889 HydrophobicContact CB-CE2 4.25Å; F1885-F1889 AromaticContact CD1-CD2 3.72Å; F1885-F1889 HydrophobicContact CD1-CD2 3.72Å; F1885-F1889 AromaticContact CD1-CE2 3.9Å; F1885-F1889 HydrophobicContact CD1-CE2 3.9Å; F1885-F1889 HydrophobicContact CD2-CD2 4.31Å; F1885-F1889 AromaticContact CD2-CE2 3.9Å; F1885-F1889 HydrophobicContact CD2-CE2 3.9Å; F1885-F1889 AromaticContact CE1-CD2 3.34Å; F1885-F1889 HydrophobicContact CE1-CD2 3.34Å; F1885-F1889 HydrophobicContact CE1-CE1 4.43Å; F1885-F1889 AromaticContact CE1-CE2 3.18Å; F1885-F1889 HydrophobicContact CE1-CE2 3.18Å; F1885-F1889 HydrophobicContact CE1-CG 4.14Å; F1885-F1889 AromaticContact CE1-CZ 3.77Å; F1885-F1889 HydrophobicContact CE1-CZ 3.77Å; F1885-F1889 AromaticContact CE2-CD2 3.92Å; F1885-F1889 HydrophobicContact CE2-CD2 4.03Å; F1885-F1889 AromaticContact CE2-CE2 3.24Å; F1885-F1889 HydrophobicContact CE2-CE2 3.24Å; F1885-F1889 AromaticContact CE2-CZ 3.9Å; F1885-F1889 HydrophobicContact CE2-CZ 3.96Å; F1885-F1889 HydrophobicContact CG-CD2 4.2Å; F1885-F1889 HydrophobicContact CG-CE2 4.22Å; F1885-F1889 AromaticContact CZ-CD2 3.56Å; F1885-F1889 HydrophobicContact CZ-CD2 3.56Å; F1885-F1889 VanDerWaalsContact CZ-CD2 3.47Å; F1885-F1889 HydrophobicContact CZ-CE1 4.33Å; F1885-F1889 AromaticContact CZ-CE2 2.84Å; F1885-F1889 HydrophobicContact CZ-CE2 2.84Å; F1885-F1889 HydrophobicContact CZ-CG 4.45Å; F1885-F1889 AromaticContact CZ-CZ 3.28Å; F1885-F1889 HydrophobicContact CZ-CZ 3.28Å; F1885-F1889 VanDerWaalsContact O-CD2 3.23Å; F1885-F1889 WeakPolarHBondContact O-CD2 3.34Å; F1885-F1889 PolarHBondContact O-N 3.11Å; F1885-F1889 VanDerWaalsContact O-N 3.15Å; F1885-L1907 HydrophobicContact CD1-CD1 4.38Å; F1885-L1907 HydrophobicContact CE1-CD1 3.19Å; F1885-L1907 HydrophobicContact CE2-CD1 4.4Å; F1885-L1907 HydrophobicContact CZ-CD1 3.18Å; F1885-L1907 HydrophobicContact CZ-CD2 4.38Å; F1885-L1907 HydrophobicContact CZ-CG 4.4Å; F1885-M1913 HydrophobicContact CE1-CE 4.33Å |
| 1886 | Y | 64.6 | Low | 63.4 | Low | 64.6 Ų | 64.6 | 52.5 Ų | 52.5 | 25% | 0.253 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -53.1 | -45.4 | -179.9 | -174 | -90.3 | 0 | 0 | 0 | 112.4 | Q1644 Y1882 F1883 I1888 F1889 Q1890 F1900 | Q1644-Y1886 VanDerWaalsContact NE2-CE1 3.28Å; Y1882-Y1886 HydrophobicContact CE1-CD2 4.4Å; Y1882-Y1886 VanDerWaalsContact O-CB 3.27Å; Y1882-Y1886 WeakPolarHBondContact O-CB 3.27Å; Y1882-Y1886 PolarHBondContact O-N 3.16Å; Y1882-Y1886 VanDerWaalsContact O-N 3.14Å; F1883-Y1886 WeakPolarHBondContact O-CA 3.31Å; F1883-Y1886 WeakPolarHBondContact O-CB 3.39Å; F1883-Y1886 PolarHBondContact O-N 3.09Å; Y1886-I1888 VanDerWaalsContact C-N 3.32Å; Y1886-I1888 PolarHBondContact O-N 3.2Å; Y1886-F1889 PolarHBondContact O-N 3.33Å; Y1886-F1889 VanDerWaalsContact O-N 3.15Å; Y1886-Q1890 HydrophobicContact CD1-CB 4.45Å; Y1886-Q1890 HydrophobicContact CE1-CB 4.34Å; Y1886-Q1890 HydrophobicContact CE1-CG 4.18Å; Y1886-Q1890 VanDerWaalsContact CE1-OE1 3.26Å; Y1886-Q1890 WeakPolarHBondContact O-CB 3.5Å; Y1886-Q1890 PolarHBondContact O-N 3.09Å; Y1886-F1900 HydrophobicContact CD2-CD2 4.25Å; Y1886-F1900 AromaticContact CD2-CE1 3.78Å; Y1886-F1900 HydrophobicContact CD2-CE1 4.11Å; Y1886-F1900 AromaticContact CD2-CE2 3.48Å; Y1886-F1900 HydrophobicContact CD2-CE2 4.1Å; Y1886-F1900 VanDerWaalsContact CD2-CE2 3.48Å; Y1886-F1900 AromaticContact CD2-CZ 3.47Å; Y1886-F1900 HydrophobicContact CD2-CZ 3.47Å; Y1886-F1900 VanDerWaalsContact CD2-CZ 3.46Å; Y1886-F1900 HydrophobicContact CE2-CD1 4.2Å; Y1886-F1900 AromaticContact CE2-CD2 3.96Å; Y1886-F1900 HydrophobicContact CE2-CD2 3.96Å; Y1886-F1900 AromaticContact CE2-CE1 3.66Å; Y1886-F1900 HydrophobicContact CE2-CE1 3.66Å; Y1886-F1900 AromaticContact CE2-CE2 3.65Å; Y1886-F1900 HydrophobicContact CE2-CE2 4.08Å; Y1886-F1900 HydrophobicContact CE2-CG 4.24Å; Y1886-F1900 AromaticContact CE2-CZ 3.38Å; Y1886-F1900 HydrophobicContact CE2-CZ 3.38Å; Y1886-F1900 HydrophobicContact CG-CZ 4.31Å; Y1886-F1900 AromaticContact CZ-CZ 3.96Å |
| 1887 | D | 62.9 | Low | 62 | Low | 19.8 Ų | 19.8 | 59.1 Ų | 59.1 | 11% | 0.106 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.4 | -35.6 | 178.2 | -114.2 | -9 | 0 | 0 | 0 | 113 | K1508 R1614 Y1645 F1883 F1885 F1889 Q1890 M1891 | K1508-D1887 WeakPolarHBondContact CE-OD2 3.11Å; K1508-D1887 IonicContact NZ-OD1 3.59Å; K1508-D1887 PolarHBondContact NZ-OD1 3.21Å; K1508-D1887 IonicContact NZ-OD2 3.49Å; K1508-D1887 PolarHBondContact NZ-OD2 2.89Å; R1614-D1887 IonicContact CZ-OD1 3.72Å; R1614-D1887 IonicContact CZ-OD2 2.76Å; R1614-D1887 IonicContact NH1-OD1 2.64Å; R1614-D1887 IonicContact NH1-OD2 3.29Å; R1614-D1887 PolarHBondContact NH1-OD2 3.33Å; R1614-D1887 IonicContact NH2-OD1 3.74Å; R1614-D1887 PolarHBondContact NH2-OD1 3.31Å; R1614-D1887 IonicContact NH2-OD2 2.65Å; R1614-D1887 PolarHBondContact NH2-OD2 2.98Å; Y1645-D1887 HydrophobicContact CE2-CB 4.06Å; Y1645-D1887 VanDerWaalsContact CE2-OD2 3.25Å; Y1645-D1887 WeakPolarHBondContact CE2-OD2 3.37Å; F1883-D1887 VanDerWaalsContact O-CB 3.23Å; F1883-D1887 WeakPolarHBondContact O-CB 3.37Å; F1883-D1887 PolarHBondContact O-N 3.27Å; F1883-D1887 VanDerWaalsContact O-N 3.11Å; F1885-D1887 VanDerWaalsContact C-N 3.28Å; F1885-D1887 PolarHBondContact O-N 2.96Å; D1887-F1889 VanDerWaalsContact C-N 3.33Å; D1887-Q1890 PolarHBondContact O-N 3.47Å; D1887-M1891 VanDerWaalsContact O-CG 3.3Å; D1887-M1891 WeakPolarHBondContact O-CG 3.46Å; D1887-M1891 PolarHBondContact O-N 3.19Å |
| 1888 | I | 61.7 | Low | 61 | Low | 29.8 Ų | 29.8 | 62.2 Ų | 62.2 | 15% | 0.153 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -72.1 | -34.7 | 179 | -66.5 | 168.9 | 0 | 0 | 0 | 110.6 | L1511 L1517 V1544 S1884 F1885 Y1886 | L1511-I1888 HydrophobicContact CD1-CD1 4.41Å; L1511-I1888 HydrophobicContact CD1-CG1 4.38Å; L1511-I1888 HydrophobicContact CD1-CG2 3.92Å; L1517-I1888 HydrophobicContact CD2-CG2 4.03Å; V1544-I1888 HydrophobicContact CB-CD1 4.22Å; V1544-I1888 HydrophobicContact CG1-CD1 3.53Å; V1544-I1888 VanDerWaalsContact CG1-CD1 3.44Å; V1544-I1888 HydrophobicContact CG1-CG1 4.43Å; V1544-I1888 HydrophobicContact CG1-CG2 4.1Å; S1884-I1888 VanDerWaalsContact O-CD1 3.25Å; S1884-I1888 WeakPolarHBondContact O-CD1 3.24Å; S1884-I1888 VanDerWaalsContact O-CG1 3.3Å; S1884-I1888 WeakPolarHBondContact O-CG1 3.44Å; S1884-I1888 PolarHBondContact O-N 3.09Å; F1885-I1888 WeakPolarHBondContact O-CB 3.3Å; F1885-I1888 PolarHBondContact O-N 3.23Å; Y1886-I1888 VanDerWaalsContact C-N 3.32Å; Y1886-I1888 PolarHBondContact O-N 3.2Å |
| 1889 | F | 57.9 | Low | 59.8 | Low | 34.2 Ų | 34.2 | 64.8 Ų | 64.8 | 15% | 0.15 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -77.1 | -33.3 | 174.5 | -76.1 | -81.2 | 0 | 0 | 0 | 113 | L1517 F1518 I1521 F1885 Y1886 D1887 M1891 S1892 F1900 I1903 L1907 | L1517-F1889 HydrophobicContact CD2-CE1 4.37Å; L1517-F1889 HydrophobicContact CD2-CE2 3.87Å; L1517-F1889 HydrophobicContact CD2-CZ 3.73Å; F1518-F1889 HydrophobicContact CD2-CE1 4.3Å; I1521-F1889 HydrophobicContact CD1-CE1 4.37Å; I1521-F1889 HydrophobicContact CD1-CE2 4.3Å; I1521-F1889 HydrophobicContact CD1-CZ 3.82Å; F1885-F1889 HydrophobicContact CB-CD2 4.38Å; F1885-F1889 HydrophobicContact CB-CE2 4.25Å; F1885-F1889 AromaticContact CD1-CD2 3.72Å; F1885-F1889 HydrophobicContact CD1-CD2 3.72Å; F1885-F1889 AromaticContact CD1-CE2 3.9Å; F1885-F1889 HydrophobicContact CD1-CE2 3.9Å; F1885-F1889 HydrophobicContact CD2-CD2 4.31Å; F1885-F1889 AromaticContact CD2-CE2 3.9Å; F1885-F1889 HydrophobicContact CD2-CE2 3.9Å; F1885-F1889 AromaticContact CE1-CD2 3.34Å; F1885-F1889 HydrophobicContact CE1-CD2 3.34Å; F1885-F1889 HydrophobicContact CE1-CE1 4.43Å; F1885-F1889 AromaticContact CE1-CE2 3.18Å; F1885-F1889 HydrophobicContact CE1-CE2 3.18Å; F1885-F1889 HydrophobicContact CE1-CG 4.14Å; F1885-F1889 AromaticContact CE1-CZ 3.77Å; F1885-F1889 HydrophobicContact CE1-CZ 3.77Å; F1885-F1889 AromaticContact CE2-CD2 3.92Å; F1885-F1889 HydrophobicContact CE2-CD2 4.03Å; F1885-F1889 AromaticContact CE2-CE2 3.24Å; F1885-F1889 HydrophobicContact CE2-CE2 3.24Å; F1885-F1889 AromaticContact CE2-CZ 3.9Å; F1885-F1889 HydrophobicContact CE2-CZ 3.96Å; F1885-F1889 HydrophobicContact CG-CD2 4.2Å; F1885-F1889 HydrophobicContact CG-CE2 4.22Å; F1885-F1889 AromaticContact CZ-CD2 3.56Å; F1885-F1889 HydrophobicContact CZ-CD2 3.56Å; F1885-F1889 VanDerWaalsContact CZ-CD2 3.47Å; F1885-F1889 HydrophobicContact CZ-CE1 4.33Å; F1885-F1889 AromaticContact CZ-CE2 2.84Å; F1885-F1889 HydrophobicContact CZ-CE2 2.84Å; F1885-F1889 HydrophobicContact CZ-CG 4.45Å; F1885-F1889 AromaticContact CZ-CZ 3.28Å; F1885-F1889 HydrophobicContact CZ-CZ 3.28Å; F1885-F1889 VanDerWaalsContact O-CD2 3.23Å; F1885-F1889 WeakPolarHBondContact O-CD2 3.34Å; F1885-F1889 PolarHBondContact O-N 3.11Å; F1885-F1889 VanDerWaalsContact O-N 3.15Å; Y1886-F1889 PolarHBondContact O-N 3.33Å; Y1886-F1889 VanDerWaalsContact O-N 3.15Å; D1887-F1889 VanDerWaalsContact C-N 3.33Å; F1889-M1891 PolarHBondContact O-N 2.98Å; F1889-S1892 WeakPolarHBondContact O-CA 3.31Å; F1889-S1892 WeakPolarHBondContact O-CB 3.27Å; F1889-S1892 PolarHBondContact O-N 3.31Å; F1889-S1892 PolarHBondContact O-OG 3.2Å; F1889-F1900 HydrophobicContact CB-CD2 4.2Å; F1889-F1900 HydrophobicContact CB-CE2 3.8Å; F1889-F1900 HydrophobicContact CB-CZ 4.43Å; F1889-I1903 HydrophobicContact CD1-CD1 4.4Å; F1889-I1903 HydrophobicContact CD1-CG2 4.29Å; F1889-I1903 HydrophobicContact CE1-CD1 4.31Å; F1889-I1903 HydrophobicContact CE1-CG2 4.07Å; F1889-I1903 HydrophobicContact CZ-CG2 4.35Å; F1889-L1907 HydrophobicContact CD2-CD1 4.47Å; F1889-L1907 HydrophobicContact CE2-CD1 3.96Å; F1889-L1907 HydrophobicContact CZ-CD1 4.03Å |
| 1890 | Q | 58.3 | Low | 58.3 | Low | 96.4 Ų | 96.4 | 67.1 Ų | 67.1 | 45% | 0.45 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.5 | -23 | 177.1 | -152.1 | 179 | 20.1 | 0 | 0 | 112.8 | Y1886 D1887 S1892 D1893 | Y1886-Q1890 HydrophobicContact CD1-CB 4.45Å; Y1886-Q1890 HydrophobicContact CE1-CB 4.34Å; Y1886-Q1890 HydrophobicContact CE1-CG 4.18Å; Y1886-Q1890 VanDerWaalsContact CE1-OE1 3.26Å; Y1886-Q1890 WeakPolarHBondContact O-CB 3.5Å; Y1886-Q1890 PolarHBondContact O-N 3.09Å; D1887-Q1890 PolarHBondContact O-N 3.47Å; Q1890-S1892 PolarHBondContact O-N 3.16Å; Q1890-D1893 PolarHBondContact O-N 2.88Å |
| 1891 | M | 51.1 | Low | 57.3 | Low | 128.4 Ų | 128.4 | 70.4 Ų | 70.4 | 63% | 0.633 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -12.3 | 170.6 | -71 | -151.5 | 157 | 0 | 0 | 113.6 | K1508 D1887 F1889 | K1508-M1891 HydrophobicContact CB-CE 4.1Å; K1508-M1891 HydrophobicContact CB-SD 3.86Å; K1508-M1891 HydrophobicContact CD-CE 3.71Å; K1508-M1891 HydrophobicContact CD-SD 4.15Å; K1508-M1891 HydrophobicContact CG-CE 4.32Å; K1508-M1891 HydrophobicContact CG-SD 4.15Å; D1887-M1891 VanDerWaalsContact O-CG 3.3Å; D1887-M1891 WeakPolarHBondContact O-CG 3.46Å; D1887-M1891 PolarHBondContact O-N 3.19Å; F1889-M1891 PolarHBondContact O-N 2.98Å |
| 1892 | S | 49.8 | Very low | 56.4 | Low | 44.6 Ų | 44.6 | 72.8 Ų | 72.8 | 31% | 0.312 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -29.9 | -179.9 | 116 | 0 | 0 | 0 | 0 | 114.8 | P1514 F1889 Q1890 K1894 | P1514-S1892 VanDerWaalsContact CB-CB 3.41Å; P1514-S1892 VanDerWaalsContact CB-OG 3.24Å; P1514-S1892 WeakPolarHBondContact CB-OG 3.41Å; P1514-S1892 VanDerWaalsContact CG-CA 3.44Å; P1514-S1892 WeakPolarHBondContact CG-OG 3.3Å; F1889-S1892 WeakPolarHBondContact O-CA 3.31Å; F1889-S1892 WeakPolarHBondContact O-CB 3.27Å; F1889-S1892 PolarHBondContact O-N 3.31Å; F1889-S1892 PolarHBondContact O-OG 3.2Å; Q1890-S1892 PolarHBondContact O-N 3.16Å; S1892-K1894 PolarHBondContact O-N 3.22Å; S1892-K1894 VanDerWaalsContact O-N 3.13Å |
| 1893 | D | 44.6 | Very low | 55.4 | Low | 71 Ų | 71 | 72.4 Ų | 72.4 | 38% | 0.38 | 38% | 0.377 | S | S | . | . | trans | -109.4 | 92.2 | -169.3 | -106.4 | -29.7 | 0 | 0 | 0 | 111.7 | Q1890 D1896 F1900 | Q1890-D1893 PolarHBondContact O-N 2.88Å; D1893-D1896 WeakPolarHBondContact OD1-CA 3.3Å; D1893-D1896 PolarHBondContact OD1-N 3.03Å; D1893-D1896 VanDerWaalsContact OD2-O 3.1Å; D1893-F1900 WeakPolarHBondContact OD2-CB 3.28Å | ||
| 1894 | K | 51.7 | Low | 54.3 | Low | 183.2 Ų | 183.2 | 74.3 Ų | 74.3 | 80% | 0.797 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -105.7 | 5.3 | 159.2 | -74.9 | -168.3 | 175.4 | -177.3 | 0 | 112.2 | E1043 S1045 S1892 | E1043-K1894 IonicContact OE2-NZ 3.61Å; E1043-K1894 PolarHBondContact OE2-NZ 3.39Å; S1045-K1894 PolarHBondContact OG-NZ 3.04Å; S1892-K1894 PolarHBondContact O-N 3.22Å; S1892-K1894 VanDerWaalsContact O-N 3.13Å |
| 1895 | D | 46.8 | Very low | 53.5 | Low | 145 Ų | 145 | 80.7 Ų | 80.7 | 78% | 0.775 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -137 | 3.3 | -169.9 | -63.7 | -44.7 | 0 | 0 | 0 | 116.8 | ||
| 1896 | D | 48.6 | Very low | 52.7 | Low | 104.8 Ų | 104.8 | 87.2 Ų | 87.2 | 56% | 0.56 | 44% | 0.442 | S | S | * | . | trans | -163 | 90.4 | 178.2 | -86 | -40.6 | 0 | 0 | 0 | 115.9 | D1893 S1898 N1899 | D1893-D1896 WeakPolarHBondContact OD1-CA 3.3Å; D1893-D1896 PolarHBondContact OD1-N 3.03Å; D1893-D1896 VanDerWaalsContact OD2-O 3.1Å; D1896-S1898 PolarHBondContact O-N 3.28Å; D1896-S1898 VanDerWaalsContact O-N 3.1Å; D1896-S1898 PolarHBondContact OD1-OG 2.98Å; D1896-N1899 PolarHBondContact O-N 3.07Å; D1896-N1899 VanDerWaalsContact O-N 3.15Å | ||
| 1897 | D | 52.2 | Low | 52 | Low | 147.4 Ų | 147.4 | 85.7 Ų | 85.7 | 79% | 0.788 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -53.8 | -22.1 | 177.7 | -81 | -31.5 | 0 | 0 | 0 | 114.7 | N1899 F1900 | D1897-N1899 VanDerWaalsContact C-N 3.34Å; D1897-N1899 PolarHBondContact O-N 3.07Å; D1897-F1900 PolarHBondContact O-N 3.21Å |
| 1898 | S | 52.5 | Low | 51.3 | Low | 85.8 Ų | 85.8 | 88.3 Ų | 88.3 | 60% | 0.6 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -70.9 | -32.6 | -175.7 | 57.5 | 0 | 0 | 0 | 0 | 113.6 | D1896 F1900 | D1896-S1898 PolarHBondContact O-N 3.28Å; D1896-S1898 VanDerWaalsContact O-N 3.1Å; D1896-S1898 PolarHBondContact OD1-OG 2.98Å; S1898-F1900 VanDerWaalsContact C-N 3.31Å; S1898-F1900 PolarHBondContact O-N 3.05Å |
| 1899 | N | 51.3 | Low | 50.8 | Low | 75.6 Ų | 75.6 | 89 Ų | 89 | 40% | 0.404 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -71.5 | -28.2 | -179.4 | -84.9 | -27.3 | 0 | 0 | 0 | 112.3 | D1896 D1897 S1901 E1902 I1903 | D1896-N1899 PolarHBondContact O-N 3.07Å; D1896-N1899 VanDerWaalsContact O-N 3.15Å; D1897-N1899 VanDerWaalsContact C-N 3.34Å; D1897-N1899 PolarHBondContact O-N 3.07Å; N1899-S1901 PolarHBondContact O-N 3.41Å; N1899-E1902 PolarHBondContact O-N 3.24Å; N1899-I1903 HydrophobicContact CB-CD1 4.29Å; N1899-I1903 WeakPolarHBondContact O-CB 3.34Å; N1899-I1903 VanDerWaalsContact O-CD1 3.26Å; N1899-I1903 WeakPolarHBondContact O-CD1 3.3Å; N1899-I1903 VanDerWaalsContact O-CG1 3.24Å; N1899-I1903 WeakPolarHBondContact O-CG1 3.29Å; N1899-I1903 PolarHBondContact O-N 3.16Å |
| 1900 | F | 46.5 | Very low | 50.5 | Low | 52.2 Ų | 52.2 | 91.5 Ų | 91.5 | 23% | 0.229 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -63 | -42.2 | -176.4 | -172.3 | -91.4 | 0 | 0 | 0 | 112.9 | Y1882 Y1886 F1889 D1893 D1897 S1898 E1902 I1903 C1904 | Y1882-F1900 WeakPolarHBondContact OH-CE1 3.21Å; Y1886-F1900 HydrophobicContact CD2-CD2 4.25Å; Y1886-F1900 AromaticContact CD2-CE1 3.78Å; Y1886-F1900 HydrophobicContact CD2-CE1 4.11Å; Y1886-F1900 AromaticContact CD2-CE2 3.48Å; Y1886-F1900 HydrophobicContact CD2-CE2 4.1Å; Y1886-F1900 VanDerWaalsContact CD2-CE2 3.48Å; Y1886-F1900 AromaticContact CD2-CZ 3.47Å; Y1886-F1900 HydrophobicContact CD2-CZ 3.47Å; Y1886-F1900 VanDerWaalsContact CD2-CZ 3.46Å; Y1886-F1900 HydrophobicContact CE2-CD1 4.2Å; Y1886-F1900 AromaticContact CE2-CD2 3.96Å; Y1886-F1900 HydrophobicContact CE2-CD2 3.96Å; Y1886-F1900 AromaticContact CE2-CE1 3.66Å; Y1886-F1900 HydrophobicContact CE2-CE1 3.66Å; Y1886-F1900 AromaticContact CE2-CE2 3.65Å; Y1886-F1900 HydrophobicContact CE2-CE2 4.08Å; Y1886-F1900 HydrophobicContact CE2-CG 4.24Å; Y1886-F1900 AromaticContact CE2-CZ 3.38Å; Y1886-F1900 HydrophobicContact CE2-CZ 3.38Å; Y1886-F1900 HydrophobicContact CG-CZ 4.31Å; Y1886-F1900 AromaticContact CZ-CZ 3.96Å; F1889-F1900 HydrophobicContact CB-CD2 4.2Å; F1889-F1900 HydrophobicContact CB-CE2 3.8Å; F1889-F1900 HydrophobicContact CB-CZ 4.43Å; D1893-F1900 WeakPolarHBondContact OD2-CB 3.28Å; D1897-F1900 PolarHBondContact O-N 3.21Å; S1898-F1900 VanDerWaalsContact C-N 3.31Å; S1898-F1900 PolarHBondContact O-N 3.05Å; F1900-E1902 PolarHBondContact O-N 3.48Å; F1900-I1903 PolarHBondContact O-N 3.06Å; F1900-C1904 VanDerWaalsContact CE1-SG 3.53Å; F1900-C1904 WeakPolarHBondContact CE1-SG 3.42Å; F1900-C1904 VanDerWaalsContact CZ-SG 3.53Å; F1900-C1904 WeakPolarHBondContact CZ-SG 3.41Å; F1900-C1904 WeakPolarHBondContact O-CB 3.33Å; F1900-C1904 PolarHBondContact O-N 3.23Å; F1900-C1904 VanDerWaalsContact O-N 3.12Å; F1900-C1904 PolarHBondContact O-SG 2.99Å; F1900-C1904 VanDerWaalsContact O-SG 3.35Å |
| 1901 | S | 53.6 | Low | 50.2 | Low | 78.4 Ų | 78.4 | 92.9 Ų | 92.9 | 55% | 0.548 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 177.1 | -169.5 | 0 | 0 | 0 | 0 | 111.4 | N1899 I1903 C1904 E1905 | N1899-S1901 PolarHBondContact O-N 3.41Å; S1901-I1903 VanDerWaalsContact C-N 3.3Å; S1901-I1903 PolarHBondContact O-N 3.2Å; S1901-C1904 PolarHBondContact O-N 3.31Å; S1901-E1905 WeakPolarHBondContact O-CB 3.41Å; S1901-E1905 PolarHBondContact O-N 3.04Å |
| 1902 | E | 51.5 | Low | 50.1 | Low | 90.4 Ų | 90.4 | 88.6 Ų | 88.6 | 42% | 0.422 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.6 | -34.9 | 178.5 | -165.3 | -177.8 | 176.7 | 0 | 0 | 111.7 | N1899 F1900 E1905 R1906 | N1899-E1902 PolarHBondContact O-N 3.24Å; F1900-E1902 PolarHBondContact O-N 3.48Å; E1902-E1905 PolarHBondContact O-N 3.34Å; E1902-R1906 VanDerWaalsContact O-CB 3.28Å; E1902-R1906 WeakPolarHBondContact O-CB 3.36Å; E1902-R1906 WeakPolarHBondContact O-CG 3.38Å; E1902-R1906 PolarHBondContact O-N 3.25Å; E1902-R1906 IonicContact OE1-CZ 3.38Å; E1902-R1906 IonicContact OE1-NH1 3.26Å; E1902-R1906 PolarHBondContact OE1-NH1 3.13Å; E1902-R1906 IonicContact OE1-NH2 2.84Å; E1902-R1906 PolarHBondContact OE1-NH2 3.23Å; E1902-R1906 IonicContact OE2-CZ 3.1Å; E1902-R1906 IonicContact OE2-NH1 2.74Å; E1902-R1906 PolarHBondContact OE2-NH1 2.92Å; E1902-R1906 IonicContact OE2-NH2 2.6Å; E1902-R1906 PolarHBondContact OE2-NH2 2.74Å |
| 1903 | I | 49.9 | Very low | 50.1 | Low | 34.8 Ų | 34.8 | 88 Ų | 88 | 18% | 0.178 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -68.5 | -44.8 | 175.5 | -68.7 | 164.4 | 0 | 0 | 0 | 111.4 | F1518 F1889 N1899 F1900 S1901 E1905 R1906 L1907 | F1518-I1903 HydrophobicContact CD2-CD1 3.61Å; F1518-I1903 HydrophobicContact CD2-CG1 4.09Å; F1518-I1903 HydrophobicContact CE2-CB 4.49Å; F1518-I1903 HydrophobicContact CE2-CD1 3.83Å; F1518-I1903 HydrophobicContact CE2-CG1 3.54Å; F1518-I1903 HydrophobicContact CE2-CG2 4.16Å; F1518-I1903 HydrophobicContact CG-CD1 4.25Å; F1518-I1903 HydrophobicContact CZ-CD1 3.78Å; F1518-I1903 HydrophobicContact CZ-CG1 4.22Å; F1889-I1903 HydrophobicContact CD1-CD1 4.4Å; F1889-I1903 HydrophobicContact CD1-CG2 4.29Å; F1889-I1903 HydrophobicContact CE1-CD1 4.31Å; F1889-I1903 HydrophobicContact CE1-CG2 4.07Å; F1889-I1903 HydrophobicContact CZ-CG2 4.35Å; N1899-I1903 HydrophobicContact CB-CD1 4.29Å; N1899-I1903 WeakPolarHBondContact O-CB 3.34Å; N1899-I1903 VanDerWaalsContact O-CD1 3.26Å; N1899-I1903 WeakPolarHBondContact O-CD1 3.3Å; N1899-I1903 VanDerWaalsContact O-CG1 3.24Å; N1899-I1903 WeakPolarHBondContact O-CG1 3.29Å; N1899-I1903 PolarHBondContact O-N 3.16Å; F1900-I1903 PolarHBondContact O-N 3.06Å; S1901-I1903 VanDerWaalsContact C-N 3.3Å; S1901-I1903 PolarHBondContact O-N 3.2Å; I1903-E1905 VanDerWaalsContact C-N 3.29Å; I1903-E1905 PolarHBondContact O-N 3.19Å; I1903-R1906 PolarHBondContact O-N 3.12Å; I1903-L1907 HydrophobicContact CG2-CD1 3.81Å; I1903-L1907 HydrophobicContact CG2-CG 4.41Å; I1903-L1907 VanDerWaalsContact O-CB 3.31Å; I1903-L1907 WeakPolarHBondContact O-CB 3.31Å; I1903-L1907 WeakPolarHBondContact O-CD1 3.3Å; I1903-L1907 WeakPolarHBondContact O-CG 3.28Å; I1903-L1907 PolarHBondContact O-N 3.19Å |
| 1904 | C | 51.4 | Low | 50.5 | Low | 42 Ų | 42 | 88.8 Ų | 88.8 | 28% | 0.284 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 175.6 | -80.2 | 0 | 0 | 0 | 0 | 112.1 | F1900 S1901 N1908 L1909 | F1900-C1904 VanDerWaalsContact CE1-SG 3.53Å; F1900-C1904 WeakPolarHBondContact CE1-SG 3.42Å; F1900-C1904 VanDerWaalsContact CZ-SG 3.53Å; F1900-C1904 WeakPolarHBondContact CZ-SG 3.41Å; F1900-C1904 WeakPolarHBondContact O-CB 3.33Å; F1900-C1904 PolarHBondContact O-N 3.23Å; F1900-C1904 VanDerWaalsContact O-N 3.12Å; F1900-C1904 PolarHBondContact O-SG 2.99Å; F1900-C1904 VanDerWaalsContact O-SG 3.35Å; S1901-C1904 PolarHBondContact O-N 3.31Å; C1904-N1908 PolarHBondContact O-N 3.31Å; C1904-L1909 PolarHBondContact O-N 3.47Å |
| 1905 | E | 50.9 | Low | 50.6 | Low | 140.4 Ų | 140.4 | 84.5 Ų | 84.5 | 66% | 0.656 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.6 | -45.1 | 172.5 | -97.5 | -171.4 | 159.9 | 0 | 0 | 112.2 | S1901 E1902 I1903 L1907 N1908 | S1901-E1905 WeakPolarHBondContact O-CB 3.41Å; S1901-E1905 PolarHBondContact O-N 3.04Å; E1902-E1905 PolarHBondContact O-N 3.34Å; I1903-E1905 VanDerWaalsContact C-N 3.29Å; I1903-E1905 PolarHBondContact O-N 3.19Å; E1905-L1907 VanDerWaalsContact C-N 3.27Å; E1905-L1907 PolarHBondContact O-N 3.26Å; E1905-N1908 WeakPolarHBondContact O-CA 3.37Å; E1905-N1908 VanDerWaalsContact O-CB 3.24Å; E1905-N1908 WeakPolarHBondContact O-CB 3.38Å; E1905-N1908 PolarHBondContact O-N 3.06Å; E1905-N1908 VanDerWaalsContact O-N 3.1Å; E1905-N1908 PolarHBondContact O-ND2 3.08Å |
| 1906 | R | 47.9 | Very low | 50.9 | Low | 161.4 Ų | 161.4 | 78.7 Ų | 78.7 | 61% | 0.609 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -64 | -39.2 | 179.1 | -107.5 | 179.5 | 169.7 | 118.9 | 2.9 | 113 | E1902 I1903 N1908 | E1902-R1906 VanDerWaalsContact O-CB 3.28Å; E1902-R1906 WeakPolarHBondContact O-CB 3.36Å; E1902-R1906 WeakPolarHBondContact O-CG 3.38Å; E1902-R1906 PolarHBondContact O-N 3.25Å; E1902-R1906 IonicContact OE1-CZ 3.38Å; E1902-R1906 IonicContact OE1-NH1 3.26Å; E1902-R1906 PolarHBondContact OE1-NH1 3.13Å; E1902-R1906 IonicContact OE1-NH2 2.84Å; E1902-R1906 PolarHBondContact OE1-NH2 3.23Å; E1902-R1906 IonicContact OE2-CZ 3.1Å; E1902-R1906 IonicContact OE2-NH1 2.74Å; E1902-R1906 PolarHBondContact OE2-NH1 2.92Å; E1902-R1906 IonicContact OE2-NH2 2.6Å; E1902-R1906 PolarHBondContact OE2-NH2 2.74Å; I1903-R1906 PolarHBondContact O-N 3.12Å; R1906-N1908 PolarHBondContact O-N 3.29Å; R1906-N1908 VanDerWaalsContact O-N 3.12Å |
| 1907 | L | 49.9 | Very low | 51.1 | Low | 33.6 Ų | 33.6 | 75.6 Ų | 75.6 | 18% | 0.176 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -7.4 | 175 | -71.8 | 170 | 0 | 0 | 0 | 113 | I1521 L1541 F1885 F1889 I1903 E1905 L1909 N1912 | I1521-L1907 HydrophobicContact CG2-CD2 3.81Å; I1521-L1907 VanDerWaalsContact CG2-CD2 3.46Å; L1541-L1907 HydrophobicContact CD2-CD2 4.4Å; F1885-L1907 HydrophobicContact CD1-CD1 4.38Å; F1885-L1907 HydrophobicContact CE1-CD1 3.19Å; F1885-L1907 HydrophobicContact CE2-CD1 4.4Å; F1885-L1907 HydrophobicContact CZ-CD1 3.18Å; F1885-L1907 HydrophobicContact CZ-CD2 4.38Å; F1885-L1907 HydrophobicContact CZ-CG 4.4Å; F1889-L1907 HydrophobicContact CD2-CD1 4.47Å; F1889-L1907 HydrophobicContact CE2-CD1 3.96Å; F1889-L1907 HydrophobicContact CZ-CD1 4.03Å; I1903-L1907 HydrophobicContact CG2-CD1 3.81Å; I1903-L1907 HydrophobicContact CG2-CG 4.41Å; I1903-L1907 VanDerWaalsContact O-CB 3.31Å; I1903-L1907 WeakPolarHBondContact O-CB 3.31Å; I1903-L1907 WeakPolarHBondContact O-CD1 3.3Å; I1903-L1907 WeakPolarHBondContact O-CG 3.28Å; I1903-L1907 PolarHBondContact O-N 3.19Å; E1905-L1907 VanDerWaalsContact C-N 3.27Å; E1905-L1907 PolarHBondContact O-N 3.26Å; L1907-L1909 HydrophobicContact CB-CD1 3.8Å; L1907-L1909 HydrophobicContact CB-CD2 4.42Å; L1907-L1909 HydrophobicContact CB-CG 3.7Å; L1907-L1909 HydrophobicContact CD1-CD1 4.18Å; L1907-L1909 WeakPolarHBondContact O-CA 3.18Å; L1907-L1909 PolarHBondContact O-N 3.23Å; L1907-L1909 VanDerWaalsContact O-N 3.08Å; L1907-N1912 PolarHBondContact O-ND2 3.29Å; L1907-N1912 VanDerWaalsContact O-ND2 3.1Å |
| 1908 | N | 49.4 | Very low | 51.1 | Low | 75.6 Ų | 75.6 | 72.6 Ų | 72.6 | 40% | 0.404 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 29.5 | 52.5 | 175.7 | -123 | -26.3 | 0 | 0 | 0 | 112.3 | C1904 E1905 R1906 D1910 Q1911 N1912 | C1904-N1908 PolarHBondContact O-N 3.31Å; E1905-N1908 WeakPolarHBondContact O-CA 3.37Å; E1905-N1908 VanDerWaalsContact O-CB 3.24Å; E1905-N1908 WeakPolarHBondContact O-CB 3.38Å; E1905-N1908 PolarHBondContact O-N 3.06Å; E1905-N1908 VanDerWaalsContact O-N 3.1Å; E1905-N1908 PolarHBondContact O-ND2 3.08Å; R1906-N1908 PolarHBondContact O-N 3.29Å; R1906-N1908 VanDerWaalsContact O-N 3.12Å; N1908-D1910 VanDerWaalsContact C-N 3.28Å; N1908-D1910 PolarHBondContact O-N 3.14Å; N1908-Q1911 HydrophobicContact CB-CB 4.46Å; N1908-Q1911 HydrophobicContact CB-CG 4.4Å; N1908-Q1911 VanDerWaalsContact ND2-CD 3.26Å; N1908-Q1911 PolarHBondContact ND2-NE2 3.26Å; N1908-Q1911 PolarHBondContact O-N 2.98Å; N1908-Q1911 VanDerWaalsContact OD1-CD 3.28Å; N1908-Q1911 WeakPolarHBondContact OD1-CG 3.34Å; N1908-Q1911 PolarHBondContact OD1-NE2 3.17Å; N1908-N1912 WeakPolarHBondContact O-CB 3.3Å; N1908-N1912 PolarHBondContact O-N 3.23Å; N1908-N1912 PolarHBondContact O-ND2 3.1Å |
| 1909 | L | 52 | Low | 51.2 | Low | 44 Ų | 44 | 70.3 Ų | 70.3 | 23% | 0.23 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.6 | -26.9 | -170.5 | -88.9 | 148.1 | 0 | 0 | 0 | 111.3 | Y1882 C1904 L1907 Q1911 N1912 M1913 | Y1882-L1909 HydrophobicContact CD2-CD1 3.77Å; Y1882-L1909 HydrophobicContact CD2-CD2 4.3Å; Y1882-L1909 HydrophobicContact CE2-CD1 4.4Å; C1904-L1909 PolarHBondContact O-N 3.47Å; L1907-L1909 HydrophobicContact CB-CD1 3.8Å; L1907-L1909 HydrophobicContact CB-CD2 4.42Å; L1907-L1909 HydrophobicContact CB-CG 3.7Å; L1907-L1909 HydrophobicContact CD1-CD1 4.18Å; L1907-L1909 WeakPolarHBondContact O-CA 3.18Å; L1907-L1909 PolarHBondContact O-N 3.23Å; L1907-L1909 VanDerWaalsContact O-N 3.08Å; L1909-Q1911 VanDerWaalsContact C-N 3.33Å; L1909-Q1911 PolarHBondContact O-N 3.01Å; L1909-N1912 CarbonylContact O-C 3.31Å; L1909-N1912 PolarHBondContact O-N 3.25Å; L1909-M1913 HydrophobicContact CB-CE 4.2Å; L1909-M1913 HydrophobicContact CB-CG 4.21Å; L1909-M1913 HydrophobicContact CD2-CG 4.44Å; L1909-M1913 WeakPolarHBondContact O-CB 3.38Å; L1909-M1913 VanDerWaalsContact O-CG 3.23Å; L1909-M1913 WeakPolarHBondContact O-CG 3.34Å; L1909-M1913 PolarHBondContact O-N 2.97Å; L1909-M1913 VanDerWaalsContact O-N 3.15Å |
| 1910 | D | 50.3 | Low | 51.4 | Low | 87.4 Ų | 87.4 | 67.7 Ų | 67.7 | 47% | 0.467 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.3 | -33.4 | 175.4 | -82.1 | -3.7 | 0 | 0 | 0 | 113.5 | N1908 M1913 T1914 R2064 | N1908-D1910 VanDerWaalsContact C-N 3.28Å; N1908-D1910 PolarHBondContact O-N 3.14Å; D1910-M1913 WeakPolarHBondContact O-CB 3.42Å; D1910-M1913 WeakPolarHBondContact O-CG 3.23Å; D1910-T1914 PolarHBondContact O-OG1 3.43Å; D1910-R2064 IonicContact OD1-CZ 2.76Å; D1910-R2064 IonicContact OD1-NH1 2.61Å; D1910-R2064 IonicContact OD1-NH2 3.37Å; D1910-R2064 PolarHBondContact OD1-NH2 3.25Å |
| 1911 | Q | 51.8 | Low | 51.8 | Low | 124.6 Ų | 124.6 | 67 Ų | 67 | 58% | 0.582 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -78.8 | -40.4 | 172.5 | -66.6 | -171 | 2.2 | 0 | 0 | 111.7 | N1908 L1909 M1913 T1914 Y1915 | N1908-Q1911 HydrophobicContact CB-CB 4.46Å; N1908-Q1911 HydrophobicContact CB-CG 4.4Å; N1908-Q1911 VanDerWaalsContact ND2-CD 3.26Å; N1908-Q1911 PolarHBondContact ND2-NE2 3.26Å; N1908-Q1911 PolarHBondContact O-N 2.98Å; N1908-Q1911 VanDerWaalsContact OD1-CD 3.28Å; N1908-Q1911 WeakPolarHBondContact OD1-CG 3.34Å; N1908-Q1911 PolarHBondContact OD1-NE2 3.17Å; L1909-Q1911 VanDerWaalsContact C-N 3.33Å; L1909-Q1911 PolarHBondContact O-N 3.01Å; Q1911-M1913 PolarHBondContact O-N 3Å; Q1911-M1913 VanDerWaalsContact O-N 3.13Å; Q1911-T1914 VanDerWaalsContact O-CB 3.32Å; Q1911-T1914 WeakPolarHBondContact O-CB 3.43Å; Q1911-T1914 PolarHBondContact O-N 3.27Å; Q1911-T1914 PolarHBondContact O-OG1 3.08Å; Q1911-Y1915 WeakPolarHBondContact O-CD2 3.45Å |
| 1912 | N | 49.5 | Very low | 52 | Low | 38.4 Ų | 38.4 | 68.1 Ų | 68.1 | 21% | 0.205 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.8 | -15.8 | 178.5 | -73.7 | -35.4 | 0 | 0 | 0 | 113.5 | S1534 L1907 N1908 L1909 T1914 Y1915 L1916 | S1534-N1912 WeakPolarHBondContact CB-OD1 3.39Å; L1907-N1912 PolarHBondContact O-ND2 3.29Å; L1907-N1912 VanDerWaalsContact O-ND2 3.1Å; N1908-N1912 WeakPolarHBondContact O-CB 3.3Å; N1908-N1912 PolarHBondContact O-N 3.23Å; N1908-N1912 PolarHBondContact O-ND2 3.1Å; L1909-N1912 CarbonylContact O-C 3.31Å; L1909-N1912 PolarHBondContact O-N 3.25Å; N1912-T1914 PolarHBondContact O-N 3.34Å; N1912-T1914 VanDerWaalsContact O-N 3.08Å; N1912-Y1915 HydrophobicContact CB-CD2 4.45Å; N1912-Y1915 WeakPolarHBondContact O-CD2 3.37Å; N1912-Y1915 PolarHBondContact O-N 3.17Å; N1912-Y1915 VanDerWaalsContact O-N 3.09Å; N1912-L1916 PolarHBondContact O-N 3.45Å |
| 1913 | M | 49.9 | Very low | 52.5 | Low | 31.6 Ų | 31.6 | 65.2 Ų | 65.2 | 16% | 0.156 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -61.2 | -16.1 | 172.1 | -72.9 | -64.7 | -124 | 0 | 0 | 113.6 | I1878 F1885 L1909 D1910 Q1911 Y1915 L1916 P1917 P2057 | I1878-M1913 HydrophobicContact CB-CE 4.42Å; I1878-M1913 HydrophobicContact CD1-CE 3.56Å; I1878-M1913 HydrophobicContact CD1-SD 4.1Å; I1878-M1913 HydrophobicContact CG1-CE 4.12Å; I1878-M1913 HydrophobicContact CG1-SD 4.26Å; I1878-M1913 HydrophobicContact CG2-CE 3.79Å; I1878-M1913 HydrophobicContact CG2-SD 4.35Å; F1885-M1913 HydrophobicContact CE1-CE 4.33Å; L1909-M1913 HydrophobicContact CB-CE 4.2Å; L1909-M1913 HydrophobicContact CB-CG 4.21Å; L1909-M1913 HydrophobicContact CD2-CG 4.44Å; L1909-M1913 WeakPolarHBondContact O-CB 3.38Å; L1909-M1913 VanDerWaalsContact O-CG 3.23Å; L1909-M1913 WeakPolarHBondContact O-CG 3.34Å; L1909-M1913 PolarHBondContact O-N 2.97Å; L1909-M1913 VanDerWaalsContact O-N 3.15Å; D1910-M1913 WeakPolarHBondContact O-CB 3.42Å; D1910-M1913 WeakPolarHBondContact O-CG 3.23Å; Q1911-M1913 PolarHBondContact O-N 3Å; Q1911-M1913 VanDerWaalsContact O-N 3.13Å; M1913-Y1915 PolarHBondContact O-N 3.06Å; M1913-L1916 HydrophobicContact CB-CB 4.46Å; M1913-L1916 HydrophobicContact CE-CD1 4.04Å; M1913-L1916 HydrophobicContact CE-CD2 4.01Å; M1913-L1916 WeakPolarHBondContact O-CB 3.35Å; M1913-L1916 PolarHBondContact O-N 3.23Å; M1913-L1916 VanDerWaalsContact O-N 3.16Å; M1913-L1916 HydrophobicContact SD-CB 4.1Å; M1913-L1916 HydrophobicContact SD-CD1 3.94Å; M1913-L1916 HydrophobicContact SD-CD2 4.05Å; M1913-L1916 HydrophobicContact SD-CG 4.19Å; M1913-P1917 WeakPolarHBondContact O-CD 3.45Å; M1913-P1917 WeakPolarHBondContact O-CG 3.22Å; M1913-P2057 WeakPolarHBondContact CE-O 3.46Å |
| 1914 | T | 52.4 | Low | 53.2 | Low | 88 Ų | 88 | 65.8 Ų | 65.8 | 54% | 0.54 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -62.6 | -29.8 | 173.3 | -29.9 | 0 | 0 | 0 | 0 | 111.9 | D1910 Q1911 N1912 L1916 | D1910-T1914 PolarHBondContact O-OG1 3.43Å; Q1911-T1914 VanDerWaalsContact O-CB 3.32Å; Q1911-T1914 WeakPolarHBondContact O-CB 3.43Å; Q1911-T1914 PolarHBondContact O-N 3.27Å; Q1911-T1914 PolarHBondContact O-OG1 3.08Å; N1912-T1914 PolarHBondContact O-N 3.34Å; N1912-T1914 VanDerWaalsContact O-N 3.08Å; T1914-L1916 VanDerWaalsContact C-N 3.31Å |
| 1915 | Y | 53.3 | Low | 54.3 | Low | 92.6 Ų | 92.6 | 65.5 Ų | 65.5 | 36% | 0.363 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -91.6 | -2.9 | 177.8 | -56.9 | -76.8 | 0 | 0 | 0 | 113.8 | S1534 L1538 Q1911 N1912 M1913 P1917 D1918 L1919 | S1534-Y1915 WeakPolarHBondContact OG-CD2 3.49Å; S1534-Y1915 VanDerWaalsContact OG-CE2 3.25Å; S1534-Y1915 WeakPolarHBondContact OG-CE2 3.31Å; S1534-Y1915 PolarHBondContact OG-OH 2.95Å; L1538-Y1915 HydrophobicContact CD1-CD2 4.14Å; L1538-Y1915 HydrophobicContact CD1-CG 3.96Å; Q1911-Y1915 WeakPolarHBondContact O-CD2 3.45Å; N1912-Y1915 HydrophobicContact CB-CD2 4.45Å; N1912-Y1915 WeakPolarHBondContact O-CD2 3.37Å; N1912-Y1915 PolarHBondContact O-N 3.17Å; N1912-Y1915 VanDerWaalsContact O-N 3.09Å; M1913-Y1915 PolarHBondContact O-N 3.06Å; Y1915-P1917 VanDerWaalsContact C-CD 3.43Å; Y1915-P1917 VanDerWaalsContact C-N 3.28Å; Y1915-D1918 WeakPolarHBondContact O-CB 3.33Å; Y1915-D1918 PolarHBondContact O-N 3.27Å; Y1915-D1918 VanDerWaalsContact O-N 3.09Å; Y1915-L1919 WeakPolarHBondContact O-CB 3.26Å; Y1915-L1919 WeakPolarHBondContact O-CD1 3.37Å; Y1915-L1919 PolarHBondContact O-N 3.21Å; Y1915-L1919 VanDerWaalsContact O-N 3.12Å |
| 1916 | L | 54.1 | Low | 55.7 | Low | 23.8 Ų | 23.8 | 60.3 Ų | 60.3 | 13% | 0.125 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58 | -40.2 | -177.8 | -172.9 | 75.4 | 0 | 0 | 0 | 113.6 | P1874 I1878 W1881 N1912 M1913 T1914 D1918 L1919 C1920 | P1874-L1916 HydrophobicContact CB-CD1 4.3Å; P1874-L1916 HydrophobicContact CB-CD2 3.98Å; P1874-L1916 HydrophobicContact CB-CG 4.26Å; P1874-L1916 HydrophobicContact CG-CD2 3.87Å; I1878-L1916 HydrophobicContact CD1-CD1 3.94Å; I1878-L1916 HydrophobicContact CD1-CD2 3.75Å; I1878-L1916 VanDerWaalsContact CD1-CD2 3.43Å; I1878-L1916 HydrophobicContact CD1-CG 4.37Å; I1878-L1916 HydrophobicContact CG1-CD1 3.74Å; I1878-L1916 HydrophobicContact CG1-CD2 3.67Å; I1878-L1916 HydrophobicContact CG1-CG 4.36Å; W1881-L1916 HydrophobicContact CZ3-CD1 4.12Å; N1912-L1916 PolarHBondContact O-N 3.45Å; M1913-L1916 HydrophobicContact CB-CB 4.46Å; M1913-L1916 HydrophobicContact CE-CD1 4.04Å; M1913-L1916 HydrophobicContact CE-CD2 4.01Å; M1913-L1916 WeakPolarHBondContact O-CB 3.35Å; M1913-L1916 PolarHBondContact O-N 3.23Å; M1913-L1916 VanDerWaalsContact O-N 3.16Å; M1913-L1916 HydrophobicContact SD-CB 4.1Å; M1913-L1916 HydrophobicContact SD-CD1 3.94Å; M1913-L1916 HydrophobicContact SD-CD2 4.05Å; M1913-L1916 HydrophobicContact SD-CG 4.19Å; T1914-L1916 VanDerWaalsContact C-N 3.31Å; L1916-D1918 VanDerWaalsContact C-N 3.29Å; L1916-D1918 PolarHBondContact O-N 3.2Å; L1916-L1919 CarbonylContact O-C 3.57Å; L1916-L1919 WeakPolarHBondContact O-CA 3.26Å; L1916-L1919 WeakPolarHBondContact O-CB 3.39Å; L1916-L1919 PolarHBondContact O-N 3.26Å; L1916-L1919 VanDerWaalsContact O-N 3.11Å; L1916-C1920 VanDerWaalsContact O-CB 3.28Å; L1916-C1920 WeakPolarHBondContact O-CB 3.42Å; L1916-C1920 PolarHBondContact O-N 3.12Å; L1916-C1920 PolarHBondContact O-SG 3.22Å; L1916-C1920 VanDerWaalsContact O-SG 3.39Å |
| 1917 | P | 51.8 | Low | 57.5 | Low | 40.4 Ų | 40.4 | 52.9 Ų | 52.9 | 26% | 0.262 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 175.6 | -24.6 | 35.8 | 0 | 0 | 0 | 113 | M1913 Y1915 L1919 C1920 S1921 L1996 F1998 W2036 | M1913-P1917 WeakPolarHBondContact O-CD 3.45Å; M1913-P1917 WeakPolarHBondContact O-CG 3.22Å; Y1915-P1917 VanDerWaalsContact C-CD 3.43Å; Y1915-P1917 VanDerWaalsContact C-N 3.28Å; P1917-L1919 PolarHBondContact O-N 2.84Å; P1917-C1920 PolarHBondContact O-N 3.16Å; P1917-S1921 VanDerWaalsContact O-CB 3.26Å; P1917-S1921 WeakPolarHBondContact O-CB 3.34Å; P1917-S1921 PolarHBondContact O-N 3.21Å; P1917-S1921 PolarHBondContact O-OG 3.05Å; P1917-L1996 HydrophobicContact CB-CD1 3.36Å; P1917-L1996 HydrophobicContact CB-CD2 3.81Å; P1917-L1996 HydrophobicContact CB-CG 3.8Å; P1917-L1996 HydrophobicContact CG-CD1 3.6Å; P1917-L1996 HydrophobicContact CG-CD2 3.97Å; P1917-L1996 HydrophobicContact CG-CG 4.08Å; P1917-F1998 HydrophobicContact CB-CD2 3.87Å; P1917-F1998 HydrophobicContact CB-CE2 3.11Å; P1917-F1998 HydrophobicContact CB-CZ 3.57Å; P1917-F1998 HydrophobicContact CG-CD2 4.35Å; P1917-F1998 HydrophobicContact CG-CE2 3.74Å; P1917-F1998 HydrophobicContact CG-CZ 3.8Å; P1917-W2036 HydrophobicContact CG-CH2 4.35Å |
| 1918 | D | 53.8 | Low | 59.2 | Low | 84.4 Ų | 84.4 | 51.8 Ų | 51.8 | 45% | 0.451 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.2 | -34.3 | 176 | -95.1 | 12.7 | 0 | 0 | 0 | 112.2 | Y1915 L1916 S1921 K1922 | Y1915-D1918 WeakPolarHBondContact O-CB 3.33Å; Y1915-D1918 PolarHBondContact O-N 3.27Å; Y1915-D1918 VanDerWaalsContact O-N 3.09Å; L1916-D1918 VanDerWaalsContact C-N 3.29Å; L1916-D1918 PolarHBondContact O-N 3.2Å; D1918-S1921 VanDerWaalsContact C-OG 3.31Å; D1918-S1921 WeakPolarHBondContact CA-OG 3.26Å; D1918-S1921 PolarHBondContact O-OG 3.05Å; D1918-K1922 WeakPolarHBondContact O-CB 3.34Å; D1918-K1922 VanDerWaalsContact O-CD 3.29Å; D1918-K1922 WeakPolarHBondContact O-CD 3.38Å; D1918-K1922 VanDerWaalsContact O-CE 3.23Å; D1918-K1922 WeakPolarHBondContact O-CE 3.24Å; D1918-K1922 VanDerWaalsContact O-CG 3.27Å; D1918-K1922 WeakPolarHBondContact O-CG 3.37Å; D1918-K1922 PolarHBondContact O-N 3.17Å; D1918-K1922 IonicContact OD2-NZ 3.54Å; D1918-K1922 PolarHBondContact OD2-NZ 2.96Å |
| 1919 | L | 54.4 | Low | 60.9 | Low | 36 Ų | 36 | 48.8 Ų | 48.8 | 19% | 0.188 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -73.6 | -47.4 | 175.7 | -102.3 | 112 | 0 | 0 | 0 | 111.9 | L1538 F1542 W1881 Y1915 L1916 P1917 S1921 K1922 Y1923 | L1538-L1919 HydrophobicContact CB-CD1 4.29Å; L1538-L1919 HydrophobicContact CB-CD2 3.92Å; L1538-L1919 HydrophobicContact CD1-CD1 3.81Å; L1538-L1919 HydrophobicContact CD1-CD2 3.86Å; L1538-L1919 HydrophobicContact CD2-CD1 4.05Å; L1538-L1919 HydrophobicContact CD2-CD2 4.14Å; L1538-L1919 HydrophobicContact CG-CD1 4.38Å; L1538-L1919 HydrophobicContact CG-CD2 4.28Å; F1542-L1919 HydrophobicContact CE2-CD1 4.05Å; F1542-L1919 HydrophobicContact CE2-CD2 3.41Å; F1542-L1919 VanDerWaalsContact CE2-CD2 3.41Å; F1542-L1919 HydrophobicContact CE2-CG 3.65Å; F1542-L1919 HydrophobicContact CZ-CD2 3.44Å; F1542-L1919 VanDerWaalsContact CZ-CD2 3.44Å; F1542-L1919 HydrophobicContact CZ-CG 3.71Å; W1881-L1919 HydrophobicContact CD2-CD2 4.11Å; W1881-L1919 HydrophobicContact CE3-CD2 3.55Å; W1881-L1919 HydrophobicContact CE3-CG 4.43Å; W1881-L1919 HydrophobicContact CH2-CB 3.92Å; W1881-L1919 VanDerWaalsContact CH2-CB 3.47Å; W1881-L1919 HydrophobicContact CH2-CD1 4.15Å; W1881-L1919 HydrophobicContact CH2-CD2 3.44Å; W1881-L1919 HydrophobicContact CH2-CG 3.89Å; W1881-L1919 HydrophobicContact CZ2-CD2 3.8Å; W1881-L1919 VanDerWaalsContact CZ2-CD2 3.42Å; W1881-L1919 HydrophobicContact CZ2-CG 3.81Å; W1881-L1919 HydrophobicContact CZ3-CB 4.05Å; W1881-L1919 HydrophobicContact CZ3-CD1 4.22Å; W1881-L1919 HydrophobicContact CZ3-CD2 3.4Å; W1881-L1919 HydrophobicContact CZ3-CG 3.88Å; Y1915-L1919 WeakPolarHBondContact O-CB 3.26Å; Y1915-L1919 WeakPolarHBondContact O-CD1 3.37Å; Y1915-L1919 PolarHBondContact O-N 3.21Å; Y1915-L1919 VanDerWaalsContact O-N 3.12Å; L1916-L1919 CarbonylContact O-C 3.57Å; L1916-L1919 WeakPolarHBondContact O-CA 3.26Å; L1916-L1919 WeakPolarHBondContact O-CB 3.39Å; L1916-L1919 PolarHBondContact O-N 3.26Å; L1916-L1919 VanDerWaalsContact O-N 3.11Å; P1917-L1919 PolarHBondContact O-N 2.84Å; L1919-S1921 VanDerWaalsContact C-N 3.26Å; L1919-S1921 PolarHBondContact O-N 3.17Å; L1919-K1922 CarbonylContact O-C 3.51Å; L1919-K1922 PolarHBondContact O-N 3.24Å; L1919-K1922 VanDerWaalsContact O-N 3.13Å; L1919-Y1923 HydrophobicContact CB-CD2 4.37Å; L1919-Y1923 HydrophobicContact CD2-CD2 4.18Å; L1919-Y1923 WeakPolarHBondContact O-CB 3.31Å; L1919-Y1923 VanDerWaalsContact O-CD2 3.25Å; L1919-Y1923 WeakPolarHBondContact O-CD2 3.49Å; L1919-Y1923 PolarHBondContact O-N 2.93Å |
| 1920 | C | 55.2 | Low | 62.7 | Low | 22.6 Ų | 22.6 | 47.3 Ų | 47.3 | 15% | 0.153 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.1 | -34.3 | 175.4 | -70.8 | 0 | 0 | 0 | 0 | 111.7 | L1916 P1917 Y1923 Y1924 | L1916-C1920 VanDerWaalsContact O-CB 3.28Å; L1916-C1920 WeakPolarHBondContact O-CB 3.42Å; L1916-C1920 PolarHBondContact O-N 3.12Å; L1916-C1920 PolarHBondContact O-SG 3.22Å; L1916-C1920 VanDerWaalsContact O-SG 3.39Å; P1917-C1920 PolarHBondContact O-N 3.16Å; C1920-Y1923 CarbonylContact O-C 3.53Å; C1920-Y1923 PolarHBondContact O-N 3.09Å; C1920-Y1924 HydrophobicContact CB-CD2 4.03Å; C1920-Y1924 HydrophobicContact CB-CE2 3.96Å; C1920-Y1924 WeakPolarHBondContact O-CB 3.17Å; C1920-Y1924 WeakPolarHBondContact O-CD2 3.23Å; C1920-Y1924 PolarHBondContact O-N 3.03Å |
| 1921 | S | 54.6 | Low | 64.6 | Low | 36.8 Ų | 36.8 | 43.1 Ų | 43.1 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.1 | -41.9 | 174.7 | 118.1 | 0 | 0 | 0 | 0 | 111.6 | F1302 P1917 D1918 L1919 Y1923 Y1924 D1925 S1992 | F1302-S1921 WeakPolarHBondContact CD1-OG 3.49Å; F1302-S1921 VanDerWaalsContact CE1-O 3.23Å; F1302-S1921 WeakPolarHBondContact CE1-O 3.41Å; P1917-S1921 VanDerWaalsContact O-CB 3.26Å; P1917-S1921 WeakPolarHBondContact O-CB 3.34Å; P1917-S1921 PolarHBondContact O-N 3.21Å; P1917-S1921 PolarHBondContact O-OG 3.05Å; D1918-S1921 VanDerWaalsContact C-OG 3.31Å; D1918-S1921 WeakPolarHBondContact CA-OG 3.26Å; D1918-S1921 PolarHBondContact O-OG 3.05Å; L1919-S1921 VanDerWaalsContact C-N 3.26Å; L1919-S1921 PolarHBondContact O-N 3.17Å; S1921-Y1923 VanDerWaalsContact C-N 3.33Å; S1921-Y1923 PolarHBondContact O-N 3.13Å; S1921-Y1924 PolarHBondContact O-N 3.13Å; S1921-D1925 WeakPolarHBondContact O-CB 3.44Å; S1921-D1925 PolarHBondContact O-N 3.45Å; S1921-D1925 PolarHBondContact OG-OD2 3.22Å; S1921-S1992 VanDerWaalsContact CA-CB 3.43Å; S1921-S1992 WeakPolarHBondContact CB-O 3.38Å; S1921-S1992 WeakPolarHBondContact O-CB 3.34Å |
| 1922 | K | 58.4 | Low | 66.4 | Low | 102 Ų | 102 | 37.6 Ų | 37.6 | 44% | 0.443 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -70.8 | -35.7 | 176.4 | -72.7 | 167.4 | -170.4 | 165.3 | 0 | 113.2 | F1302 D1918 L1919 F1926 | F1302-K1922 HydrophobicContact CD2-CG 4.46Å; F1302-K1922 HydrophobicContact CE1-CG 4.12Å; F1302-K1922 HydrophobicContact CE2-CD 4.31Å; F1302-K1922 HydrophobicContact CE2-CG 3.74Å; F1302-K1922 VanDerWaalsContact CE2-CG 3.45Å; F1302-K1922 HydrophobicContact CZ-CB 3.98Å; F1302-K1922 HydrophobicContact CZ-CG 3.55Å; D1918-K1922 WeakPolarHBondContact O-CB 3.34Å; D1918-K1922 VanDerWaalsContact O-CD 3.29Å; D1918-K1922 WeakPolarHBondContact O-CD 3.38Å; D1918-K1922 VanDerWaalsContact O-CE 3.23Å; D1918-K1922 WeakPolarHBondContact O-CE 3.24Å; D1918-K1922 VanDerWaalsContact O-CG 3.27Å; D1918-K1922 WeakPolarHBondContact O-CG 3.37Å; D1918-K1922 PolarHBondContact O-N 3.17Å; D1918-K1922 IonicContact OD2-NZ 3.54Å; D1918-K1922 PolarHBondContact OD2-NZ 2.96Å; L1919-K1922 CarbonylContact O-C 3.51Å; L1919-K1922 PolarHBondContact O-N 3.24Å; L1919-K1922 VanDerWaalsContact O-N 3.13Å; K1922-F1926 PolarHBondContact O-N 2.86Å |
| 1923 | Y | 61 | Low | 68.3 | Low | 28 Ų | 28 | 36.8 Ų | 36.8 | 11% | 0.11 | 19% | 0.187 | C | C | . | . | trans | -116.4 | 59.7 | -173.2 | -87 | -88.2 | 0 | 0 | 0 | 111.7 | Y1457 T1460 Q1461 I1464 F1542 H1549 W1881 L1919 C1920 S1921 D1925 F1926 L1927 | Y1457-Y1923 VanDerWaalsContact CD2-OH 3.26Å; Y1457-Y1923 WeakPolarHBondContact CD2-OH 3.37Å; Y1457-Y1923 AromaticContact CE2-CE2 3.93Å; Y1457-Y1923 HydrophobicContact CE2-CE2 4.18Å; Y1457-Y1923 AromaticContact CE2-CZ 3.98Å; Y1457-Y1923 WeakPolarHBondContact CE2-OH 3.42Å; T1460-Y1923 HydrophobicContact CG2-CE1 4.13Å; Q1461-Y1923 HydrophobicContact CG-CE1 4.49Å; Q1461-Y1923 HydrophobicContact CG-CE2 4.3Å; Q1461-Y1923 WeakPolarHBondContact CG-OH 3.35Å; Q1461-Y1923 VanDerWaalsContact NE2-CE1 3.31Å; Q1461-Y1923 PolarHBondContact NE2-OH 3.29Å; Q1461-Y1923 VanDerWaalsContact NE2-OH 3.15Å; Q1461-Y1923 PolarHBondContact OE1-OH 3.25Å; I1464-Y1923 HydrophobicContact CD1-CD1 3.61Å; I1464-Y1923 HydrophobicContact CD1-CE1 3.87Å; I1464-Y1923 HydrophobicContact CD1-CG 4.27Å; F1542-Y1923 HydrophobicContact CD1-CD2 4.31Å; F1542-Y1923 HydrophobicContact CD1-CE1 4.15Å; F1542-Y1923 AromaticContact CD1-CE2 3.59Å; F1542-Y1923 HydrophobicContact CD1-CE2 3.59Å; F1542-Y1923 VanDerWaalsContact CD1-CE2 3.49Å; F1542-Y1923 AromaticContact CD1-CZ 3.61Å; F1542-Y1923 VanDerWaalsContact CD1-CZ 3.48Å; F1542-Y1923 WeakPolarHBondContact CD1-OH 3.13Å; F1542-Y1923 HydrophobicContact CD2-CE2 4.44Å; F1542-Y1923 AromaticContact CE1-CD1 3.98Å; F1542-Y1923 HydrophobicContact CE1-CD1 4.03Å; F1542-Y1923 AromaticContact CE1-CD2 3.27Å; F1542-Y1923 HydrophobicContact CE1-CD2 3.27Å; F1542-Y1923 VanDerWaalsContact CE1-CD2 3.43Å; F1542-Y1923 AromaticContact CE1-CE1 3.68Å; F1542-Y1923 HydrophobicContact CE1-CE1 3.68Å; F1542-Y1923 VanDerWaalsContact CE1-CE1 3.46Å; F1542-Y1923 AromaticContact CE1-CE2 2.96Å; F1542-Y1923 HydrophobicContact CE1-CE2 3.39Å; F1542-Y1923 AromaticContact CE1-CG 3.82Å; F1542-Y1923 HydrophobicContact CE1-CG 3.82Å; F1542-Y1923 AromaticContact CE1-CZ 3.35Å; F1542-Y1923 HydrophobicContact CE2-CD2 4.38Å; F1542-Y1923 AromaticContact CE2-CE2 3.93Å; F1542-Y1923 HydrophobicContact CE2-CE2 4.05Å; F1542-Y1923 HydrophobicContact CG-CE2 4.33Å; F1542-Y1923 HydrophobicContact CZ-CD1 4.08Å; F1542-Y1923 AromaticContact CZ-CD2 3.27Å; F1542-Y1923 HydrophobicContact CZ-CD2 3.64Å; F1542-Y1923 AromaticContact CZ-CE1 3.96Å; F1542-Y1923 HydrophobicContact CZ-CE1 3.96Å; F1542-Y1923 AromaticContact CZ-CE2 3.19Å; F1542-Y1923 HydrophobicContact CZ-CE2 3.54Å; F1542-Y1923 HydrophobicContact CZ-CG 4.18Å; F1542-Y1923 AromaticContact CZ-CZ 3.88Å; H1549-Y1923 HydrophobicContact CB-CD1 4.3Å; H1549-Y1923 HydrophobicContact CB-CE1 3.81Å; H1549-Y1923 AromaticContact CD2-CD1 3.55Å; H1549-Y1923 AromaticContact CD2-CE1 3.8Å; H1549-Y1923 AromaticContact CG-CD1 3.98Å; H1549-Y1923 AromaticContact CG-CE1 3.73Å; W1881-Y1923 AromaticContact CH2-CD2 3.4Å; W1881-Y1923 HydrophobicContact CH2-CD2 3.4Å; W1881-Y1923 AromaticContact CH2-CE2 3.78Å; W1881-Y1923 HydrophobicContact CH2-CE2 3.78Å; W1881-Y1923 HydrophobicContact CH2-CG 4.13Å; W1881-Y1923 AromaticContact CZ2-CD2 3.52Å; W1881-Y1923 HydrophobicContact CZ2-CD2 4Å; W1881-Y1923 HydrophobicContact CZ2-CE2 4.25Å; W1881-Y1923 AromaticContact CZ2-CG 3.85Å; W1881-Y1923 HydrophobicContact CZ2-CG 4.01Å; L1919-Y1923 HydrophobicContact CB-CD2 4.37Å; L1919-Y1923 HydrophobicContact CD2-CD2 4.18Å; L1919-Y1923 WeakPolarHBondContact O-CB 3.31Å; L1919-Y1923 VanDerWaalsContact O-CD2 3.25Å; L1919-Y1923 WeakPolarHBondContact O-CD2 3.49Å; L1919-Y1923 PolarHBondContact O-N 2.93Å; C1920-Y1923 CarbonylContact O-C 3.53Å; C1920-Y1923 PolarHBondContact O-N 3.09Å; S1921-Y1923 VanDerWaalsContact C-N 3.33Å; S1921-Y1923 PolarHBondContact O-N 3.13Å; Y1923-D1925 PolarHBondContact O-N 3.12Å; Y1923-F1926 WeakPolarHBondContact O-CB 3.36Å; Y1923-F1926 PolarHBondContact O-N 3.33Å; Y1923-L1927 PolarHBondContact O-N 2.97Å | ||
| 1924 | Y | 65.4 | Low | 70.3 | Confident | 47.4 Ų | 47.4 | 35.4 Ų | 35.4 | 19% | 0.186 | 18% | 0.18 | C | C | . | . | trans | -84.7 | 100.9 | 174.4 | -152.3 | -87.5 | 0 | 0 | 0 | 110.5 | H1880 C1920 S1921 F1926 L1927 L1928 L1929 | H1880-Y1924 AromaticContact CD2-CD1 3.5Å; H1880-Y1924 VanDerWaalsContact CD2-CD1 3.5Å; H1880-Y1924 WeakPolarHBondContact CD2-CD1 3.33Å; H1880-Y1924 AromaticContact CD2-CD2 3.51Å; H1880-Y1924 AromaticContact CD2-CE1 3.27Å; H1880-Y1924 WeakPolarHBondContact CD2-CE1 3.37Å; H1880-Y1924 AromaticContact CD2-CE2 3.28Å; H1880-Y1924 WeakPolarHBondContact CD2-CE2 3.46Å; H1880-Y1924 AromaticContact CD2-CG 3.65Å; H1880-Y1924 AromaticContact CD2-CZ 3.15Å; H1880-Y1924 AromaticContact CE1-CD1 3.8Å; H1880-Y1924 AromaticContact CE1-CE1 3.27Å; H1880-Y1924 WeakPolarHBondContact CE1-CE1 3.22Å; H1880-Y1924 AromaticContact CE1-CZ 3.72Å; H1880-Y1924 AromaticContact CG-CD1 3.77Å; H1880-Y1924 AromaticContact CG-CE1 3.89Å; H1880-Y1924 AromaticContact ND1-CD1 3.98Å; H1880-Y1924 AromaticContact ND1-CE1 3.91Å; H1880-Y1924 AromaticContact NE2-CD1 3.56Å; H1880-Y1924 AromaticContact NE2-CE1 2.86Å; H1880-Y1924 WeakPolarHBondContact NE2-CE1 3.3Å; H1880-Y1924 AromaticContact NE2-CE2 3.49Å; H1880-Y1924 WeakPolarHBondContact NE2-CE2 3.35Å; H1880-Y1924 AromaticContact NE2-CZ 2.82Å; H1880-Y1924 PolarHBondContact NE2-OH 3.47Å; C1920-Y1924 HydrophobicContact CB-CD2 4.03Å; C1920-Y1924 HydrophobicContact CB-CE2 3.96Å; C1920-Y1924 WeakPolarHBondContact O-CB 3.17Å; C1920-Y1924 WeakPolarHBondContact O-CD2 3.23Å; C1920-Y1924 PolarHBondContact O-N 3.03Å; S1921-Y1924 PolarHBondContact O-N 3.13Å; Y1924-F1926 AromaticContact CD1-CD1 3.78Å; Y1924-F1926 HydrophobicContact CD1-CD1 3.78Å; Y1924-F1926 AromaticContact CD1-CE1 3.61Å; Y1924-F1926 HydrophobicContact CD1-CE1 3.61Å; Y1924-F1926 HydrophobicContact CD1-CE2 4.46Å; Y1924-F1926 HydrophobicContact CD1-CG 4.34Å; Y1924-F1926 HydrophobicContact CD1-CZ 4.03Å; Y1924-F1926 AromaticContact CE1-CD1 3.93Å; Y1924-F1926 HydrophobicContact CE1-CD1 4.09Å; Y1924-F1926 HydrophobicContact CE1-CE1 4.18Å; Y1924-F1926 WeakPolarHBondContact O-CD2 3.41Å; Y1924-F1926 WeakPolarHBondContact O-CE2 3.2Å; Y1924-F1926 PolarHBondContact O-N 3.15Å; Y1924-L1927 PolarHBondContact O-N 3.41Å; Y1924-L1928 PolarHBondContact O-N 3.21Å; Y1924-L1929 HydrophobicContact CE1-CB 3.79Å; Y1924-L1929 HydrophobicContact CE1-CD1 4.47Å; Y1924-L1929 HydrophobicContact CE1-CD2 3.82Å; Y1924-L1929 HydrophobicContact CE1-CG 4.26Å; Y1924-L1929 VanDerWaalsContact OH-CD1 3.27Å; Y1924-L1929 WeakPolarHBondContact OH-CD1 3.39Å | ||
| 1925 | D | 73.7 | Confident | 72.2 | Confident | 36.8 Ų | 36.8 | 32.2 Ų | 32.2 | 20% | 0.197 | 16% | 0.158 | C | C | . | . | trans | -74.7 | 95.4 | 177.3 | -156.8 | -12.3 | 0 | 0 | 0 | 110.9 | R1552 I1877 S1921 Y1923 L1927 L1928 L1929 | R1552-D1925 IonicContact CZ-OD2 3.32Å; R1552-D1925 IonicContact NE-OD1 3.18Å; R1552-D1925 IonicContact NE-OD2 3.59Å; R1552-D1925 PolarHBondContact NE-OD2 3.16Å; R1552-D1925 IonicContact NH2-OD1 3.76Å; R1552-D1925 IonicContact NH2-OD2 2.67Å; R1552-D1925 PolarHBondContact NH2-OD2 3.22Å; I1877-D1925 HydrophobicContact CD1-CB 4.39Å; I1877-D1925 HydrophobicContact CG1-CB 4.29Å; S1921-D1925 WeakPolarHBondContact O-CB 3.44Å; S1921-D1925 PolarHBondContact O-N 3.45Å; S1921-D1925 PolarHBondContact OG-OD2 3.22Å; Y1923-D1925 PolarHBondContact O-N 3.12Å; D1925-L1927 VanDerWaalsContact C-N 3.28Å; D1925-L1927 PolarHBondContact O-N 3.04Å; D1925-L1927 WeakPolarHBondContact OD1-CB 3.25Å; D1925-L1927 PolarHBondContact OD1-N 3.39Å; D1925-L1928 HydrophobicContact CB-CB 4.33Å; D1925-L1928 WeakPolarHBondContact O-CB 3.45Å; D1925-L1928 PolarHBondContact O-N 3.35Å; D1925-L1928 VanDerWaalsContact O-N 3.15Å; D1925-L1929 WeakPolarHBondContact O-CB 3.44Å; D1925-L1929 PolarHBondContact O-N 3.29Å | ||
| 1926 | F | 80.3 | Confident | 73.9 | Confident | 31.8 Ų | 31.8 | 27.8 Ų | 27.8 | 14% | 0.139 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68 | -27.1 | 179.7 | -136.2 | -96 | 0 | 0 | 0 | 113.7 | I1464 V1467 N1468 R1471 A1556 A1560 K1922 Y1923 Y1924 L1928 L1929 T1930 | I1464-F1926 HydrophobicContact CB-CE2 4.48Å; I1464-F1926 HydrophobicContact CG2-CE2 3.89Å; I1464-F1926 HydrophobicContact CG2-CZ 4.49Å; I1464-F1926 VanDerWaalsContact O-CE2 3.29Å; I1464-F1926 WeakPolarHBondContact O-CE2 3.47Å; I1464-F1926 WeakPolarHBondContact O-CZ 3.35Å; V1467-F1926 HydrophobicContact CB-CD2 3.71Å; V1467-F1926 HydrophobicContact CB-CE1 4.4Å; V1467-F1926 HydrophobicContact CB-CE2 3.47Å; V1467-F1926 VanDerWaalsContact CB-CE2 3.47Å; V1467-F1926 HydrophobicContact CB-CG 4.27Å; V1467-F1926 HydrophobicContact CB-CZ 3.81Å; V1467-F1926 HydrophobicContact CG1-CB 3.86Å; V1467-F1926 HydrophobicContact CG1-CD1 3.89Å; V1467-F1926 HydrophobicContact CG1-CD2 3.77Å; V1467-F1926 VanDerWaalsContact CG1-CD2 3.41Å; V1467-F1926 HydrophobicContact CG1-CE1 3.91Å; V1467-F1926 HydrophobicContact CG1-CE2 3.6Å; V1467-F1926 HydrophobicContact CG1-CG 3.66Å; V1467-F1926 VanDerWaalsContact CG1-CG 3.46Å; V1467-F1926 HydrophobicContact CG1-CZ 3.81Å; V1467-F1926 HydrophobicContact CG2-CD2 4.33Å; V1467-F1926 HydrophobicContact CG2-CE2 4.34Å; N1468-F1926 HydrophobicContact CB-CZ 4.07Å; N1468-F1926 WeakPolarHBondContact OD1-CE1 3.49Å; N1468-F1926 WeakPolarHBondContact OD1-CZ 3.39Å; R1471-F1926 VanDerWaalsContact CD-CE2 3.5Å; R1471-F1926 HydrophobicContact CG-CD2 4.17Å; R1471-F1926 HydrophobicContact CG-CE2 4.13Å; R1471-F1926 HydrophobicContact CG-CZ 4.4Å; R1471-F1926 VanDerWaalsContact NE-CD2 3.33Å; A1556-F1926 HydrophobicContact CB-CB 3.9Å; A1556-F1926 HydrophobicContact CB-CD1 3.73Å; A1556-F1926 HydrophobicContact CB-CD2 4.28Å; A1556-F1926 HydrophobicContact CB-CG 4.36Å; A1556-F1926 WeakPolarHBondContact O-CD1 3.46Å; A1556-F1926 WeakPolarHBondContact O-CE1 3.47Å; A1560-F1926 HydrophobicContact CB-CE1 3.98Å; A1560-F1926 HydrophobicContact CB-CZ 4.17Å; K1922-F1926 PolarHBondContact O-N 2.86Å; Y1923-F1926 WeakPolarHBondContact O-CB 3.36Å; Y1923-F1926 PolarHBondContact O-N 3.33Å; Y1924-F1926 AromaticContact CD1-CD1 3.78Å; Y1924-F1926 HydrophobicContact CD1-CD1 3.78Å; Y1924-F1926 AromaticContact CD1-CE1 3.61Å; Y1924-F1926 HydrophobicContact CD1-CE1 3.61Å; Y1924-F1926 HydrophobicContact CD1-CE2 4.46Å; Y1924-F1926 HydrophobicContact CD1-CG 4.34Å; Y1924-F1926 HydrophobicContact CD1-CZ 4.03Å; Y1924-F1926 AromaticContact CE1-CD1 3.93Å; Y1924-F1926 HydrophobicContact CE1-CD1 4.09Å; Y1924-F1926 HydrophobicContact CE1-CE1 4.18Å; Y1924-F1926 WeakPolarHBondContact O-CD2 3.41Å; Y1924-F1926 WeakPolarHBondContact O-CE2 3.2Å; Y1924-F1926 PolarHBondContact O-N 3.15Å; F1926-L1928 VanDerWaalsContact C-N 3.3Å; F1926-L1928 PolarHBondContact O-N 2.98Å; F1926-L1929 HydrophobicContact CD1-CD2 4.31Å; F1926-L1929 HydrophobicContact CD2-CB 4.39Å; F1926-L1929 HydrophobicContact CD2-CD2 4.06Å; F1926-L1929 HydrophobicContact CE2-CD2 3.91Å; F1926-L1929 WeakPolarHBondContact O-CB 3.35Å; F1926-L1929 PolarHBondContact O-N 3.17Å; F1926-L1929 VanDerWaalsContact O-N 3.14Å; F1926-T1930 HydrophobicContact CD1-CG2 3.93Å; F1926-T1930 HydrophobicContact CD2-CG2 4.07Å; F1926-T1930 HydrophobicContact CE1-CG2 3.47Å; F1926-T1930 HydrophobicContact CE2-CG2 3.83Å; F1926-T1930 HydrophobicContact CG-CG2 4.32Å; F1926-T1930 HydrophobicContact CZ-CG2 3.42Å; F1926-T1930 VanDerWaalsContact CZ-CG2 3.43Å; F1926-T1930 WeakPolarHBondContact O-CB 3.08Å; F1926-T1930 VanDerWaalsContact O-CG2 3.26Å; F1926-T1930 WeakPolarHBondContact O-CG2 3.33Å; F1926-T1930 PolarHBondContact O-N 3.25Å; F1926-T1930 PolarHBondContact O-OG1 2.97Å; F1926-T1930 VanDerWaalsContact O-OG1 3.06Å |
| 1927 | L | 86.3 | Confident | 75.6 | Confident | 5.2 Ų | 5.2 | 26.7 Ų | 26.7 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.2 | -39.8 | 176 | -106.3 | 134.5 | 0 | 0 | 0 | 110.8 | R1552 L1555 A1556 C1657 Q1660 W1767 Y1923 Y1924 D1925 L1929 T1930 A1931 | R1552-L1927 HydrophobicContact CB-CD1 3.8Å; R1552-L1927 HydrophobicContact CG-CD1 3.97Å; L1555-L1927 HydrophobicContact CB-CD1 4.47Å; L1555-L1927 HydrophobicContact CB-CD2 4.36Å; A1556-L1927 HydrophobicContact CB-CD2 4.47Å; A1556-L1927 HydrophobicContact CB-CG 4.4Å; C1657-L1927 HydrophobicContact CB-CD2 4.37Å; C1657-L1927 VanDerWaalsContact SG-CD2 3.56Å; Q1660-L1927 PolarHBondContact NE2-O 3.41Å; W1767-L1927 HydrophobicContact CE3-CD1 4.29Å; W1767-L1927 HydrophobicContact CH2-CD1 3.94Å; W1767-L1927 HydrophobicContact CH2-CD2 4Å; W1767-L1927 HydrophobicContact CH2-CG 4.25Å; W1767-L1927 HydrophobicContact CZ2-CD1 4.12Å; W1767-L1927 HydrophobicContact CZ2-CD2 3.28Å; W1767-L1927 HydrophobicContact CZ2-CG 4.15Å; W1767-L1927 HydrophobicContact CZ3-CD1 3.77Å; W1767-L1927 HydrophobicContact CZ3-CD2 4.49Å; Y1923-L1927 PolarHBondContact O-N 2.97Å; Y1924-L1927 PolarHBondContact O-N 3.41Å; D1925-L1927 VanDerWaalsContact C-N 3.28Å; D1925-L1927 PolarHBondContact O-N 3.04Å; D1925-L1927 WeakPolarHBondContact OD1-CB 3.25Å; D1925-L1927 PolarHBondContact OD1-N 3.39Å; L1927-L1929 VanDerWaalsContact C-N 3.31Å; L1927-T1930 WeakPolarHBondContact CA-OG1 3.44Å; L1927-T1930 PolarHBondContact O-N 3.16Å; L1927-T1930 PolarHBondContact O-OG1 3.08Å; L1927-T1930 VanDerWaalsContact O-OG1 3.07Å; L1927-A1931 WeakPolarHBondContact O-CB 3.31Å; L1927-A1931 PolarHBondContact O-N 3.22Å |
| 1928 | L | 86.3 | Confident | 77.4 | Confident | 11.4 Ų | 11.4 | 25.3 Ų | 25.3 | 6% | 0.06 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66 | -40.4 | 175.7 | -160.3 | 70.3 | 0 | 0 | 0 | 111.7 | E1766 L1871 P1876 I1877 Y1924 D1925 F1926 A1931 H1932 | E1766-L1928 HydrophobicContact CG-CD1 4.14Å; L1871-L1928 HydrophobicContact CD2-CD1 3.44Å; L1871-L1928 VanDerWaalsContact CD2-CD1 3.41Å; L1871-L1928 HydrophobicContact CD2-CG 4.18Å; P1876-L1928 HydrophobicContact CB-CD1 3.79Å; P1876-L1928 HydrophobicContact CB-CD2 3.82Å; P1876-L1928 HydrophobicContact CB-CG 4.3Å; P1876-L1928 HydrophobicContact CG-CD1 4.06Å; P1876-L1928 HydrophobicContact CG-CD2 4.04Å; I1877-L1928 HydrophobicContact CD1-CD2 4.42Å; I1877-L1928 HydrophobicContact CG1-CD2 4.09Å; Y1924-L1928 PolarHBondContact O-N 3.21Å; D1925-L1928 HydrophobicContact CB-CB 4.33Å; D1925-L1928 WeakPolarHBondContact O-CB 3.45Å; D1925-L1928 PolarHBondContact O-N 3.35Å; D1925-L1928 VanDerWaalsContact O-N 3.15Å; F1926-L1928 VanDerWaalsContact C-N 3.3Å; F1926-L1928 PolarHBondContact O-N 2.98Å; L1928-A1931 WeakPolarHBondContact O-CB 3.33Å; L1928-A1931 PolarHBondContact O-N 3.15Å; L1928-H1932 WeakPolarHBondContact O-CB 3.45Å; L1928-H1932 PolarHBondContact O-N 3.17Å |
| 1929 | L | 85.4 | Confident | 79.1 | Confident | 10.8 Ų | 10.8 | 21.6 Ų | 21.6 | 6% | 0.057 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.6 | -44.7 | 176.1 | 177.1 | 64.1 | 0 | 0 | 0 | 112.3 | Y1924 D1925 F1926 L1927 A1931 H1932 R1933 T1987 L1989 | Y1924-L1929 HydrophobicContact CE1-CB 3.79Å; Y1924-L1929 HydrophobicContact CE1-CD1 4.47Å; Y1924-L1929 HydrophobicContact CE1-CD2 3.82Å; Y1924-L1929 HydrophobicContact CE1-CG 4.26Å; Y1924-L1929 VanDerWaalsContact OH-CD1 3.27Å; Y1924-L1929 WeakPolarHBondContact OH-CD1 3.39Å; D1925-L1929 WeakPolarHBondContact O-CB 3.44Å; D1925-L1929 PolarHBondContact O-N 3.29Å; F1926-L1929 HydrophobicContact CD1-CD2 4.31Å; F1926-L1929 HydrophobicContact CD2-CB 4.39Å; F1926-L1929 HydrophobicContact CD2-CD2 4.06Å; F1926-L1929 HydrophobicContact CE2-CD2 3.91Å; F1926-L1929 WeakPolarHBondContact O-CB 3.35Å; F1926-L1929 PolarHBondContact O-N 3.17Å; F1926-L1929 VanDerWaalsContact O-N 3.14Å; L1927-L1929 VanDerWaalsContact C-N 3.31Å; L1929-A1931 VanDerWaalsContact C-N 3.29Å; L1929-A1931 PolarHBondContact O-N 3.19Å; L1929-H1932 WeakPolarHBondContact O-CB 3.43Å; L1929-H1932 PolarHBondContact O-N 3.25Å; L1929-R1933 HydrophobicContact CD1-CG 4.34Å; L1929-R1933 WeakPolarHBondContact O-CG 3.36Å; L1929-R1933 PolarHBondContact O-N 3.2Å; L1929-T1987 HydrophobicContact CD1-CG2 4.46Å; L1929-L1989 HydrophobicContact CD2-CD1 3.93Å |
| 1930 | T | 88.4 | Confident | 80.7 | Confident | 13.2 Ų | 13.2 | 20 Ų | 20 | 8% | 0.081 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.5 | -36.3 | 177.5 | 53.9 | 0 | 0 | 0 | 0 | 111.1 | Q1660 F1926 L1927 H1932 R1933 F1934 | Q1660-T1930 PolarHBondContact NE2-OG1 3.19Å; Q1660-T1930 VanDerWaalsContact NE2-OG1 3.11Å; F1926-T1930 HydrophobicContact CD1-CG2 3.93Å; F1926-T1930 HydrophobicContact CD2-CG2 4.07Å; F1926-T1930 HydrophobicContact CE1-CG2 3.47Å; F1926-T1930 HydrophobicContact CE2-CG2 3.83Å; F1926-T1930 HydrophobicContact CG-CG2 4.32Å; F1926-T1930 HydrophobicContact CZ-CG2 3.42Å; F1926-T1930 VanDerWaalsContact CZ-CG2 3.43Å; F1926-T1930 WeakPolarHBondContact O-CB 3.08Å; F1926-T1930 VanDerWaalsContact O-CG2 3.26Å; F1926-T1930 WeakPolarHBondContact O-CG2 3.33Å; F1926-T1930 PolarHBondContact O-N 3.25Å; F1926-T1930 PolarHBondContact O-OG1 2.97Å; F1926-T1930 VanDerWaalsContact O-OG1 3.06Å; L1927-T1930 WeakPolarHBondContact CA-OG1 3.44Å; L1927-T1930 PolarHBondContact O-N 3.16Å; L1927-T1930 PolarHBondContact O-OG1 3.08Å; L1927-T1930 VanDerWaalsContact O-OG1 3.07Å; T1930-H1932 VanDerWaalsContact C-N 3.32Å; T1930-H1932 PolarHBondContact O-N 3.22Å; T1930-R1933 PolarHBondContact O-N 3.03Å; T1930-F1934 VanDerWaalsContact O-CB 3.25Å; T1930-F1934 WeakPolarHBondContact O-CB 3.33Å; T1930-F1934 PolarHBondContact O-N 3.25Å |
| 1931 | A | 90.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.2 | -46.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1766 P1768 L1871 L1927 L1928 L1929 F1934 H1935 | E1766-A1931 WeakPolarHBondContact O-CB 3.46Å; P1768-A1931 HydrophobicContact CG-CB 4.39Å; L1871-A1931 HydrophobicContact CD2-CB 4.43Å; L1927-A1931 WeakPolarHBondContact O-CB 3.31Å; L1927-A1931 PolarHBondContact O-N 3.22Å; L1928-A1931 WeakPolarHBondContact O-CB 3.33Å; L1928-A1931 PolarHBondContact O-N 3.15Å; L1929-A1931 VanDerWaalsContact C-N 3.29Å; L1929-A1931 PolarHBondContact O-N 3.19Å; A1931-F1934 WeakPolarHBondContact O-CB 3.35Å; A1931-F1934 PolarHBondContact O-N 3Å; A1931-H1935 PolarHBondContact O-CD2 3.21Å; A1931-H1935 VanDerWaalsContact O-CD2 3.24Å; A1931-H1935 PolarHBondContact O-N 3.23Å |
| 1932 | H | 89.4 | Confident | 83.6 | Confident | 8.6 Ų | 8.6 | 21 Ų | 21 | 4% | 0.04 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.5 | -52.8 | 175.8 | -174.5 | 179.9 | 0 | 0 | 0 | 111.4 | I1868 L1871 S1872 L1928 L1929 T1930 F1934 H1935 L1936 | I1868-H1932 VanDerWaalsContact CD1-CD2 3.43Å; I1868-H1932 WeakPolarHBondContact CD1-CD2 3.33Å; I1868-H1932 WeakPolarHBondContact CG2-NE2 3.24Å; L1871-H1932 HydrophobicContact CB-CB 4.12Å; L1871-H1932 HydrophobicContact CD1-CB 4.32Å; S1872-H1932 PolarHBondContact OG-CE1 3.15Å; S1872-H1932 VanDerWaalsContact OG-CE1 3.24Å; L1928-H1932 WeakPolarHBondContact O-CB 3.45Å; L1928-H1932 PolarHBondContact O-N 3.17Å; L1929-H1932 WeakPolarHBondContact O-CB 3.43Å; L1929-H1932 PolarHBondContact O-N 3.25Å; T1930-H1932 VanDerWaalsContact C-N 3.32Å; T1930-H1932 PolarHBondContact O-N 3.22Å; H1932-F1934 VanDerWaalsContact C-N 3.26Å; H1932-F1934 PolarHBondContact O-N 3.09Å; H1932-H1935 PolarHBondContact O-N 3.28Å; H1932-L1936 WeakPolarHBondContact NE2-CD1 3.28Å; H1932-L1936 PolarHBondContact O-N 3.13Å; H1932-L1936 VanDerWaalsContact O-N 3.11Å |
| 1933 | R | 90.1 | Very high | 84.6 | Confident | 22.2 Ų | 22.2 | 16.8 Ų | 16.8 | 8% | 0.084 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -57.9 | -39.3 | 177 | -70.5 | 175.2 | 178.6 | -174.1 | 0.5 | 112.1 | I1663 T1665 L1929 T1930 L1936 A1937 L1984 T1987 | I1663-R1933 HydrophobicContact CB-CB 4.36Å; I1663-R1933 HydrophobicContact CG2-CB 4.03Å; T1665-R1933 VanDerWaalsContact CG2-CZ 3.43Å; T1665-R1933 VanDerWaalsContact CG2-NH2 3.34Å; L1929-R1933 HydrophobicContact CD1-CG 4.34Å; L1929-R1933 WeakPolarHBondContact O-CG 3.36Å; L1929-R1933 PolarHBondContact O-N 3.2Å; T1930-R1933 PolarHBondContact O-N 3.03Å; R1933-L1936 PolarHBondContact O-N 3.3Å; R1933-A1937 WeakPolarHBondContact O-CB 3.32Å; R1933-A1937 PolarHBondContact O-N 3.28Å; R1933-L1984 HydrophobicContact CB-CD1 3.96Å; R1933-L1984 HydrophobicContact CG-CD1 3.96Å; R1933-T1987 HydrophobicContact CG-CG2 4.32Å; R1933-T1987 WeakPolarHBondContact CG-OG1 3.33Å; R1933-T1987 PolarHBondContact NE-OG1 3.14Å; R1933-T1987 PolarHBondContact NH2-O 3.11Å |
| 1934 | F | 92.4 | Very high | 85.4 | Confident | 2.4 Ų | 2.4 | 18.2 Ų | 18.2 | 1% | 0.011 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.1 | -42.4 | -178.6 | -163.8 | -82.1 | 0 | 0 | 0 | 113 | T1659 Q1660 I1663 Y1719 A1722 P1768 A1769 I1772 T1930 A1931 H1932 L1936 A1937 A1938 | T1659-F1934 HydrophobicContact CG2-CE2 4.35Å; T1659-F1934 HydrophobicContact CG2-CZ 4.47Å; Q1660-F1934 HydrophobicContact CB-CB 4.48Å; Q1660-F1934 HydrophobicContact CB-CD2 4.27Å; Q1660-F1934 HydrophobicContact CB-CG 4.4Å; Q1660-F1934 HydrophobicContact CG-CB 4.1Å; Q1660-F1934 HydrophobicContact CG-CD2 4.11Å; Q1660-F1934 HydrophobicContact CG-CE2 4.38Å; Q1660-F1934 HydrophobicContact CG-CG 4.32Å; I1663-F1934 HydrophobicContact CD1-CB 3.9Å; I1663-F1934 HydrophobicContact CD1-CD2 3.99Å; I1663-F1934 HydrophobicContact CD1-CE2 3.96Å; I1663-F1934 HydrophobicContact CD1-CG 3.71Å; I1663-F1934 HydrophobicContact CG1-CB 4.38Å; I1663-F1934 HydrophobicContact CG1-CD2 3.79Å; I1663-F1934 HydrophobicContact CG1-CE2 4.35Å; I1663-F1934 HydrophobicContact CG1-CG 4.33Å; Y1719-F1934 HydrophobicContact CE2-CE1 4.39Å; Y1719-F1934 HydrophobicContact CE2-CZ 4.28Å; A1722-F1934 HydrophobicContact CB-CE2 4.42Å; P1768-F1934 HydrophobicContact CB-CD1 3.67Å; P1768-F1934 HydrophobicContact CB-CE1 4.14Å; P1768-F1934 HydrophobicContact CB-CG 4.48Å; P1768-F1934 HydrophobicContact CG-CB 3.93Å; P1768-F1934 HydrophobicContact CG-CD1 3.61Å; P1768-F1934 HydrophobicContact CG-CE1 4.41Å; P1768-F1934 HydrophobicContact CG-CG 4.03Å; A1769-F1934 VanDerWaalsContact CA-CZ 3.42Å; A1769-F1934 HydrophobicContact CB-CD2 4.44Å; A1769-F1934 HydrophobicContact CB-CE1 4.31Å; A1769-F1934 HydrophobicContact CB-CE2 4.01Å; A1769-F1934 HydrophobicContact CB-CZ 3.81Å; I1772-F1934 HydrophobicContact CB-CZ 4.34Å; I1772-F1934 HydrophobicContact CD1-CE1 3.57Å; I1772-F1934 VanDerWaalsContact CD1-CE1 3.45Å; I1772-F1934 HydrophobicContact CD1-CE2 4.37Å; I1772-F1934 HydrophobicContact CD1-CZ 3.35Å; I1772-F1934 VanDerWaalsContact CD1-CZ 3.45Å; I1772-F1934 HydrophobicContact CG1-CE1 3.97Å; I1772-F1934 HydrophobicContact CG1-CZ 3.89Å; T1930-F1934 VanDerWaalsContact O-CB 3.25Å; T1930-F1934 WeakPolarHBondContact O-CB 3.33Å; T1930-F1934 PolarHBondContact O-N 3.25Å; A1931-F1934 WeakPolarHBondContact O-CB 3.35Å; A1931-F1934 PolarHBondContact O-N 3Å; H1932-F1934 VanDerWaalsContact C-N 3.26Å; H1932-F1934 PolarHBondContact O-N 3.09Å; F1934-L1936 PolarHBondContact O-N 3.29Å; F1934-A1937 PolarHBondContact O-N 3.11Å; F1934-A1938 VanDerWaalsContact O-CB 3.25Å; F1934-A1938 WeakPolarHBondContact O-CB 3.23Å; F1934-A1938 PolarHBondContact O-N 3.23Å |
| 1935 | H | 91.1 | Very high | 85.6 | Confident | 19.2 Ų | 19.2 | 25.1 Ų | 25.1 | 9% | 0.089 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.5 | -47.2 | 173.3 | -80.4 | -67.1 | 0 | 0 | 0 | 111.6 | P1764 I1765 P1768 L1867 I1868 L1871 A1931 H1932 A1937 A1938 W1939 | P1764-H1935 PolarHBondContact O-CE1 3.35Å; P1764-H1935 PolarHBondContact O-NE2 3.13Å; I1765-H1935 PolarHBondContact O-NE2 3.22Å; I1765-H1935 VanDerWaalsContact O-NE2 3.13Å; P1768-H1935 VanDerWaalsContact CB-CE1 3.44Å; P1768-H1935 WeakPolarHBondContact CB-CE1 3.37Å; L1867-H1935 WeakPolarHBondContact CD2-CE1 3.34Å; L1867-H1935 VanDerWaalsContact CD2-ND1 3.34Å; L1867-H1935 WeakPolarHBondContact CD2-ND1 3.48Å; I1868-H1935 HydrophobicContact CD1-CB 4.38Å; L1871-H1935 WeakPolarHBondContact CD1-CD2 3.19Å; A1931-H1935 PolarHBondContact O-CD2 3.21Å; A1931-H1935 VanDerWaalsContact O-CD2 3.24Å; A1931-H1935 PolarHBondContact O-N 3.23Å; H1932-H1935 PolarHBondContact O-N 3.28Å; H1935-A1937 PolarHBondContact O-N 2.88Å; H1935-A1938 PolarHBondContact O-N 3.23Å; H1935-W1939 HydrophobicContact CB-CH2 4.06Å; H1935-W1939 HydrophobicContact CB-CZ2 3.86Å; H1935-W1939 AromaticContact ND1-CZ2 3.87Å; H1935-W1939 WeakPolarHBondContact O-CB 3.13Å; H1935-W1939 VanDerWaalsContact O-CD2 3.28Å; H1935-W1939 VanDerWaalsContact O-CG 3.22Å; H1935-W1939 PolarHBondContact O-N 3.22Å |
| 1936 | L | 89.8 | Confident | 84.9 | Confident | 1.6 Ų | 1.6 | 29.4 Ų | 29.4 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61 | -47.2 | 178.2 | -71.6 | 172.3 | 0 | 0 | 0 | 112.1 | I1868 H1932 R1933 F1934 A1938 W1939 L1940 L1980 E1983 L1984 T1987 L2041 | I1868-L1936 HydrophobicContact CD1-CD1 4.45Å; I1868-L1936 HydrophobicContact CD1-CD2 3.62Å; I1868-L1936 HydrophobicContact CD1-CG 3.98Å; I1868-L1936 HydrophobicContact CG1-CD2 4.07Å; I1868-L1936 HydrophobicContact CG1-CG 4.38Å; I1868-L1936 HydrophobicContact CG2-CD2 4.48Å; H1932-L1936 WeakPolarHBondContact NE2-CD1 3.28Å; H1932-L1936 PolarHBondContact O-N 3.13Å; H1932-L1936 VanDerWaalsContact O-N 3.11Å; R1933-L1936 PolarHBondContact O-N 3.3Å; F1934-L1936 PolarHBondContact O-N 3.29Å; L1936-A1938 VanDerWaalsContact C-N 3.34Å; L1936-A1938 PolarHBondContact O-N 3.1Å; L1936-W1939 HydrophobicContact CD2-CE3 4.27Å; L1936-W1939 HydrophobicContact CD2-CZ3 4.26Å; L1936-W1939 PolarHBondContact O-N 3.13Å; L1936-L1940 WeakPolarHBondContact O-CB 3.37Å; L1936-L1940 PolarHBondContact O-N 3.11Å; L1936-L1980 HydrophobicContact CD2-CD2 3.82Å; L1936-E1983 HydrophobicContact CD1-CB 3.84Å; L1936-E1983 HydrophobicContact CD1-CG 4.2Å; L1936-E1983 HydrophobicContact CD2-CB 3.9Å; L1936-E1983 HydrophobicContact CD2-CG 4.35Å; L1936-E1983 HydrophobicContact CG-CB 4.47Å; L1936-L1984 HydrophobicContact CB-CB 4.44Å; L1936-L1984 HydrophobicContact CB-CD1 3.97Å; L1936-L1984 HydrophobicContact CB-CG 4.36Å; L1936-L1984 HydrophobicContact CD1-CB 4.16Å; L1936-L1984 HydrophobicContact CD1-CD1 4Å; L1936-L1984 HydrophobicContact CD1-CG 4.31Å; L1936-T1987 HydrophobicContact CD1-CG2 4.24Å; L1936-L2041 HydrophobicContact CD2-CD1 4.22Å |
| 1937 | A | 90.1 | Very high | 83.3 | Confident | 0.4 Ų | 0.4 | 31.1 Ų | 31.1 | 0% | 0.003 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.9 | -38.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1663 V1715 Y1719 R1933 F1934 H1935 L1940 H1941 L1984 | I1663-A1937 HydrophobicContact CD1-CB 4.06Å; I1663-A1937 HydrophobicContact CG1-CB 4.36Å; I1663-A1937 HydrophobicContact CG2-CB 3.7Å; V1715-A1937 HydrophobicContact CG1-CB 3.99Å; Y1719-A1937 HydrophobicContact CD2-CB 4.16Å; R1933-A1937 WeakPolarHBondContact O-CB 3.32Å; R1933-A1937 PolarHBondContact O-N 3.28Å; F1934-A1937 PolarHBondContact O-N 3.11Å; H1935-A1937 PolarHBondContact O-N 2.88Å; A1937-L1940 PolarHBondContact O-N 3.24Å; A1937-H1941 WeakPolarHBondContact O-CB 3.33Å; A1937-H1941 PolarHBondContact O-N 3.11Å; A1937-L1984 HydrophobicContact CB-CD1 4.27Å |
| 1938 | A | 89.9 | Confident | 80.8 | Confident | 10.2 Ų | 10.2 | 35.7 Ų | 35.7 | 8% | 0.084 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.6 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y1719 F1934 H1935 L1936 H1941 N1942 | Y1719-A1938 VanDerWaalsContact CE2-CA 3.45Å; Y1719-A1938 HydrophobicContact CE2-CB 3.71Å; F1934-A1938 VanDerWaalsContact O-CB 3.25Å; F1934-A1938 WeakPolarHBondContact O-CB 3.23Å; F1934-A1938 PolarHBondContact O-N 3.23Å; H1935-A1938 PolarHBondContact O-N 3.23Å; L1936-A1938 VanDerWaalsContact C-N 3.34Å; L1936-A1938 PolarHBondContact O-N 3.1Å; A1938-H1941 PolarHBondContact O-N 3.19Å; A1938-N1942 WeakPolarHBondContact O-CB 3.27Å; A1938-N1942 VanDerWaalsContact O-CG 3.26Å; A1938-N1942 PolarHBondContact O-N 3.21Å; A1938-N1942 PolarHBondContact O-ND2 3.2Å |
| 1939 | W | 88.8 | Confident | 78.2 | Confident | 7.8 Ų | 7.8 | 41.1 Ų | 41.1 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.7 | -39.2 | 176.8 | -72.1 | -17.1 | 0 | 0 | 0 | 112 | N1861 Q1864 T1865 L1867 I1868 H1935 L1936 H1941 N1942 S1943 L1976 L1980 L2041 L2078 H2082 | N1861-W1939 HydrophobicContact CB-CZ2 4.38Å; Q1864-W1939 HydrophobicContact CB-CD2 3.93Å; Q1864-W1939 HydrophobicContact CB-CE3 3.91Å; Q1864-W1939 HydrophobicContact CB-CH2 3.81Å; Q1864-W1939 HydrophobicContact CB-CZ2 4.32Å; Q1864-W1939 HydrophobicContact CB-CZ3 3.54Å; Q1864-W1939 VanDerWaalsContact CB-CZ3 3.41Å; Q1864-W1939 VanDerWaalsContact CD-CE2 3.43Å; Q1864-W1939 HydrophobicContact CG-CD2 3.93Å; Q1864-W1939 HydrophobicContact CG-CE3 3.85Å; Q1864-W1939 HydrophobicContact CG-CH2 3.86Å; Q1864-W1939 HydrophobicContact CG-CZ2 3.97Å; Q1864-W1939 HydrophobicContact CG-CZ3 3.73Å; Q1864-W1939 VanDerWaalsContact OE1-CD2 3.31Å; T1865-W1939 HydrophobicContact CG2-CH2 3.8Å; T1865-W1939 HydrophobicContact CG2-CZ3 4.22Å; L1867-W1939 HydrophobicContact CB-CH2 4.36Å; L1867-W1939 HydrophobicContact CD2-CH2 4.09Å; L1867-W1939 HydrophobicContact CD2-CZ2 3.87Å; L1867-W1939 HydrophobicContact CG-CH2 4.45Å; I1868-W1939 HydrophobicContact CD1-CE3 3.89Å; I1868-W1939 HydrophobicContact CD1-CH2 4Å; I1868-W1939 HydrophobicContact CD1-CZ3 3.62Å; I1868-W1939 HydrophobicContact CG1-CH2 3.9Å; I1868-W1939 HydrophobicContact CG1-CZ3 3.58Å; I1868-W1939 VanDerWaalsContact CG1-CZ3 3.45Å; H1935-W1939 HydrophobicContact CB-CH2 4.06Å; H1935-W1939 HydrophobicContact CB-CZ2 3.86Å; H1935-W1939 AromaticContact ND1-CZ2 3.87Å; H1935-W1939 WeakPolarHBondContact O-CB 3.13Å; H1935-W1939 VanDerWaalsContact O-CD2 3.28Å; H1935-W1939 VanDerWaalsContact O-CG 3.22Å; H1935-W1939 PolarHBondContact O-N 3.22Å; L1936-W1939 HydrophobicContact CD2-CE3 4.27Å; L1936-W1939 HydrophobicContact CD2-CZ3 4.26Å; L1936-W1939 PolarHBondContact O-N 3.13Å; W1939-H1941 VanDerWaalsContact C-N 3.32Å; W1939-H1941 PolarHBondContact O-N 2.86Å; W1939-N1942 PolarHBondContact O-N 3.03Å; W1939-S1943 VanDerWaalsContact CD1-OG 3.31Å; W1939-S1943 WeakPolarHBondContact O-CB 3.3Å; W1939-S1943 PolarHBondContact O-N 3.29Å; W1939-S1943 PolarHBondContact O-OG 3.15Å; W1939-S1943 VanDerWaalsContact O-OG 3.07Å; W1939-L1976 HydrophobicContact CH2-CD1 4.35Å; W1939-L1976 HydrophobicContact CZ2-CD1 3.83Å; W1939-L1976 HydrophobicContact CZ2-CD2 4.19Å; W1939-L1980 HydrophobicContact CB-CD1 4.2Å; W1939-L1980 HydrophobicContact CB-CD2 4.22Å; W1939-L1980 HydrophobicContact CD2-CD1 4.22Å; W1939-L1980 HydrophobicContact CD2-CD2 3.63Å; W1939-L1980 HydrophobicContact CD2-CG 4.48Å; W1939-L1980 HydrophobicContact CE3-CD2 3.89Å; W1939-L1980 HydrophobicContact CG-CD1 4.01Å; W1939-L1980 HydrophobicContact CG-CD2 3.94Å; W1939-L1980 HydrophobicContact CZ3-CD2 4.14Å; W1939-L2041 HydrophobicContact CE3-CD1 3.98Å; W1939-L2041 HydrophobicContact CH2-CB 3.88Å; W1939-L2041 HydrophobicContact CH2-CD1 4.04Å; W1939-L2041 HydrophobicContact CH2-CD2 4.38Å; W1939-L2041 HydrophobicContact CH2-CG 4.33Å; W1939-L2041 HydrophobicContact CZ3-CB 4.03Å; W1939-L2041 HydrophobicContact CZ3-CD1 4.04Å; W1939-L2041 VanDerWaalsContact CZ3-CD1 3.42Å; W1939-L2041 HydrophobicContact CZ3-CD2 4.5Å; W1939-L2041 HydrophobicContact CZ3-CG 4.19Å; W1939-L2078 HydrophobicContact CH2-CD1 4.35Å; W1939-L2078 HydrophobicContact CZ2-CD1 3.69Å; W1939-H2082 AromaticContact CD1-CD2 3.57Å; W1939-H2082 AromaticContact CD1-CE1 3.96Å; W1939-H2082 AromaticContact CD1-NE2 3.41Å; W1939-H2082 AromaticContact NE1-CD2 3.6Å; W1939-H2082 AromaticContact NE1-NE2 3.62Å |
| 1940 | L | 87.4 | Confident | 75.6 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.1 | -45.5 | 173.7 | -174.4 | 69.3 | 0 | 0 | 0 | 111.2 | E1712 V1715 L1716 L1936 A1937 N1942 S1943 N1944 R1977 L1980 L1981 | E1712-L1940 HydrophobicContact CG-CD1 4.06Å; E1712-L1940 HydrophobicContact CG-CD2 4.17Å; E1712-L1940 HydrophobicContact CG-CG 4.17Å; E1712-L1940 WeakPolarHBondContact OE1-CD1 3.43Å; V1715-L1940 HydrophobicContact CB-CD2 4.05Å; V1715-L1940 HydrophobicContact CG1-CD2 3.72Å; L1716-L1940 HydrophobicContact CD2-CD2 4.39Å; L1716-L1940 HydrophobicContact CD2-CG 4.22Å; L1716-L1940 HydrophobicContact CG-CD2 4.39Å; L1936-L1940 WeakPolarHBondContact O-CB 3.37Å; L1936-L1940 PolarHBondContact O-N 3.11Å; A1937-L1940 PolarHBondContact O-N 3.24Å; L1940-N1942 PolarHBondContact O-N 3.14Å; L1940-S1943 PolarHBondContact O-N 3.17Å; L1940-N1944 PolarHBondContact O-N 3.17Å; L1940-N1944 VanDerWaalsContact O-N 3.16Å; L1940-N1944 PolarHBondContact O-ND2 2.99Å; L1940-R1977 HydrophobicContact CD1-CB 3.95Å; L1940-R1977 HydrophobicContact CD1-CG 4.06Å; L1940-R1977 PolarHBondContact O-NH1 3.05Å; L1940-L1980 HydrophobicContact CB-CD1 4.36Å; L1940-L1980 HydrophobicContact CD1-CB 4.27Å; L1940-L1980 HydrophobicContact CD1-CD1 4.4Å; L1940-L1981 HydrophobicContact CD1-CD1 4.32Å; L1940-L1981 HydrophobicContact CD1-CG 4.33Å; L1940-L1981 HydrophobicContact CD2-CD1 4.29Å; L1940-L1981 HydrophobicContact CD2-CD2 3.93Å; L1940-L1981 HydrophobicContact CD2-CG 4.19Å |
| 1941 | H | 87.2 | Confident | 72.8 | Confident | 61.6 Ų | 61.6 | 52 Ų | 52 | 29% | 0.285 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 175.4 | 176.2 | -87 | 0 | 0 | 0 | 112.3 | L1716 Y1719 A1937 A1938 W1939 S1943 N1944 R1945 | L1716-H1941 VanDerWaalsContact CD2-CA 3.47Å; L1716-H1941 HydrophobicContact CD2-CB 4.01Å; Y1719-H1941 HydrophobicContact CD1-CB 3.73Å; Y1719-H1941 AromaticContact CD1-CD2 3.47Å; Y1719-H1941 VanDerWaalsContact CD1-CD2 3.46Å; Y1719-H1941 WeakPolarHBondContact CD1-CD2 3.39Å; Y1719-H1941 AromaticContact CD1-CG 3.52Å; Y1719-H1941 VanDerWaalsContact CD1-CG 3.47Å; Y1719-H1941 HydrophobicContact CE1-CB 3.74Å; Y1719-H1941 AromaticContact CE1-CD2 3.64Å; Y1719-H1941 AromaticContact CE1-CE1 3.95Å; Y1719-H1941 AromaticContact CE1-CG 3.36Å; Y1719-H1941 VanDerWaalsContact CE1-CG 3.46Å; Y1719-H1941 AromaticContact CE1-ND1 3.58Å; Y1719-H1941 AromaticContact CE1-NE2 3.91Å; Y1719-H1941 HydrophobicContact CG-CB 4.29Å; A1937-H1941 WeakPolarHBondContact O-CB 3.33Å; A1937-H1941 PolarHBondContact O-N 3.11Å; A1938-H1941 PolarHBondContact O-N 3.19Å; W1939-H1941 VanDerWaalsContact C-N 3.32Å; W1939-H1941 PolarHBondContact O-N 2.86Å; H1941-S1943 VanDerWaalsContact C-N 3.34Å; H1941-S1943 PolarHBondContact O-N 3.14Å; H1941-N1944 VanDerWaalsContact O-CB 3.28Å; H1941-N1944 WeakPolarHBondContact O-CB 3.22Å; H1941-N1944 PolarHBondContact O-N 2.98Å; H1941-N1944 VanDerWaalsContact O-N 3.14Å; H1941-R1945 PolarHBondContact O-N 3.11Å; H1941-R1945 VanDerWaalsContact O-N 3.14Å |
| 1942 | N | 82.9 | Confident | 70 | Confident | 17.8 Ų | 17.8 | 59.4 Ų | 59.4 | 10% | 0.095 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.3 | -37 | 179.5 | -68 | -18.8 | 0 | 0 | 0 | 112.4 | A1938 W1939 L1940 N1944 R1945 N1946 H2082 | A1938-N1942 WeakPolarHBondContact O-CB 3.27Å; A1938-N1942 VanDerWaalsContact O-CG 3.26Å; A1938-N1942 PolarHBondContact O-N 3.21Å; A1938-N1942 PolarHBondContact O-ND2 3.2Å; W1939-N1942 PolarHBondContact O-N 3.03Å; L1940-N1942 PolarHBondContact O-N 3.14Å; N1942-N1944 VanDerWaalsContact C-N 3.29Å; N1942-N1944 PolarHBondContact O-N 3.28Å; N1942-R1945 PolarHBondContact O-N 2.97Å; N1942-N1946 VanDerWaalsContact O-CG 3.25Å; N1942-N1946 PolarHBondContact O-N 3.03Å; N1942-N1946 VanDerWaalsContact O-N 3.16Å; N1942-H2082 PolarHBondContact ND2-CD2 3.22Å; N1942-H2082 PolarHBondContact ND2-ND1 3.33Å |
| 1943 | S | 80.4 | Confident | 67.3 | Low | 14.2 Ų | 14.2 | 66.6 Ų | 66.6 | 10% | 0.099 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63 | -29.9 | 173 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | W1939 L1940 H1941 | W1939-S1943 VanDerWaalsContact CD1-OG 3.31Å; W1939-S1943 WeakPolarHBondContact O-CB 3.3Å; W1939-S1943 PolarHBondContact O-N 3.29Å; W1939-S1943 PolarHBondContact O-OG 3.15Å; W1939-S1943 VanDerWaalsContact O-OG 3.07Å; L1940-S1943 PolarHBondContact O-N 3.17Å; H1941-S1943 VanDerWaalsContact C-N 3.34Å; H1941-S1943 PolarHBondContact O-N 3.14Å |
| 1944 | N | 77.3 | Confident | 64.6 | Low | 58 Ų | 58 | 71.4 Ų | 71.4 | 31% | 0.31 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -74.2 | -39.9 | 176 | -132.1 | -10.3 | 0 | 0 | 0 | 113 | E1712 L1716 L1940 H1941 N1942 N1946 V1947 R1977 | E1712-N1944 PolarHBondContact OE1-ND2 2.68Å; L1716-N1944 HydrophobicContact CD1-CB 4.4Å; L1716-N1944 VanDerWaalsContact CD1-ND2 3.3Å; L1716-N1944 WeakPolarHBondContact CD1-ND2 3.37Å; L1716-N1944 HydrophobicContact CD2-CB 4.4Å; L1716-N1944 WeakPolarHBondContact CD2-ND2 3.44Å; L1940-N1944 PolarHBondContact O-N 3.17Å; L1940-N1944 VanDerWaalsContact O-N 3.16Å; L1940-N1944 PolarHBondContact O-ND2 2.99Å; H1941-N1944 VanDerWaalsContact O-CB 3.28Å; H1941-N1944 WeakPolarHBondContact O-CB 3.22Å; H1941-N1944 PolarHBondContact O-N 2.98Å; H1941-N1944 VanDerWaalsContact O-N 3.14Å; N1942-N1944 VanDerWaalsContact C-N 3.29Å; N1942-N1944 PolarHBondContact O-N 3.28Å; N1944-N1946 VanDerWaalsContact C-N 3.29Å; N1944-N1946 PolarHBondContact O-N 3.34Å; N1944-V1947 PolarHBondContact O-N 3.24Å; N1944-R1977 VanDerWaalsContact CB-NH1 3.28Å; N1944-R1977 VanDerWaalsContact CG-CZ 3.49Å; N1944-R1977 VanDerWaalsContact CG-NH2 3.3Å; N1944-R1977 VanDerWaalsContact N-NH1 3.16Å; N1944-R1977 PolarHBondContact ND2-NH1 3.36Å; N1944-R1977 PolarHBondContact ND2-NH2 3.15Å; N1944-R1977 VanDerWaalsContact OD1-CZ 3.28Å; N1944-R1977 PolarHBondContact OD1-NH1 3.26Å; N1944-R1977 PolarHBondContact OD1-NH2 3.09Å |
| 1945 | R | 70.8 | Confident | 62 | Low | 192.4 Ų | 192.4 | 77.5 Ų | 77.5 | 73% | 0.726 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -66.9 | -27.4 | -179.2 | -172.4 | 177.2 | 174.4 | -170.6 | -1.8 | 113.3 | H1941 N1942 V1947 | H1941-R1945 PolarHBondContact O-N 3.11Å; H1941-R1945 VanDerWaalsContact O-N 3.14Å; N1942-R1945 PolarHBondContact O-N 2.97Å; R1945-V1947 VanDerWaalsContact C-N 3.3Å; R1945-V1947 PolarHBondContact O-N 3.24Å |
| 1946 | N | 57.3 | Low | 59.2 | Low | 127.6 Ų | 127.6 | 82.4 Ų | 82.4 | 68% | 0.682 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 2 | -177.3 | -70.3 | -14.9 | 0 | 0 | 0 | 114.4 | N1942 N1944 P1948 | N1942-N1946 VanDerWaalsContact O-CG 3.25Å; N1942-N1946 PolarHBondContact O-N 3.03Å; N1942-N1946 VanDerWaalsContact O-N 3.16Å; N1944-N1946 VanDerWaalsContact C-N 3.29Å; N1944-N1946 PolarHBondContact O-N 3.34Å; N1946-P1948 VanDerWaalsContact O-CD 3.27Å; N1946-P1948 WeakPolarHBondContact O-CD 3.32Å |
| 1947 | V | 46.7 | Very low | 56.5 | Low | 67.2 Ų | 67.2 | 85.6 Ų | 85.6 | 41% | 0.407 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -86.9 | 109.1 | 172.9 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | N1944 R1945 V1949 V1973 | N1944-V1947 PolarHBondContact O-N 3.24Å; R1945-V1947 VanDerWaalsContact C-N 3.3Å; R1945-V1947 PolarHBondContact O-N 3.24Å; V1947-V1949 PolarHBondContact O-N 3.28Å; V1947-V1949 VanDerWaalsContact O-N 3.09Å; V1947-V1973 HydrophobicContact CG2-CG1 4.22Å |
| 1948 | P | 34.9 | Very low | 53.8 | Low | 100.2 Ų | 100.2 | 93.2 Ų | 93.2 | 65% | 0.651 | 53% | 0.526 | S | S | * | . | trans | -65.6 | 124.4 | 176.1 | 26.6 | -32.1 | 0 | 0 | 0 | 109.2 | N1946 T1950 | N1946-P1948 VanDerWaalsContact O-CD 3.27Å; N1946-P1948 WeakPolarHBondContact O-CD 3.32Å; P1948-T1950 VanDerWaalsContact C-N 3.27Å; P1948-T1950 HydrophobicContact CB-CG2 4.15Å; P1948-T1950 HydrophobicContact CG-CG2 4.37Å; P1948-T1950 PolarHBondContact O-N 3.31Å | ||
| 1949 | V | 31.8 | Very low | 51.3 | Low | 125.6 Ų | 125.6 | 99 Ų | 99 | 76% | 0.761 | 56% | 0.561 | S | S | * | * | trans | -69.4 | 86.6 | 172 | -177.9 | 0 | 0 | 0 | 0 | 107.7 | V1947 N1951 | V1947-V1949 PolarHBondContact O-N 3.28Å; V1947-V1949 VanDerWaalsContact O-N 3.09Å; V1949-N1951 VanDerWaalsContact C-N 3.27Å; V1949-N1951 HydrophobicContact CG1-CB 4.17Å; V1949-N1951 WeakPolarHBondContact CG1-ND2 3.44Å; V1949-N1951 VanDerWaalsContact CG1-OD1 3.31Å; V1949-N1951 WeakPolarHBondContact CG1-OD1 3.06Å; V1949-N1951 PolarHBondContact O-N 3.04Å; V1949-N1951 VanDerWaalsContact O-N 3.14Å | ||
| 1950 | T | 29.9 | Very low | 48.8 | Very low | 121.2 Ų | 121.2 | 107.2 Ų | 107.2 | 74% | 0.744 | 60% | 0.596 | S | S | * | * | trans | -80.3 | 72.9 | 168.9 | 54.2 | 0 | 0 | 0 | 0 | 108.9 | P1948 | P1948-T1950 VanDerWaalsContact C-N 3.27Å; P1948-T1950 HydrophobicContact CB-CG2 4.15Å; P1948-T1950 HydrophobicContact CG-CG2 4.37Å; P1948-T1950 PolarHBondContact O-N 3.31Å | ||
| 1951 | N | 29.4 | Very low | 46.5 | Very low | 130.8 Ų | 130.8 | 113.9 Ų | 113.9 | 70% | 0.699 | 63% | 0.632 | S | S | * | * | trans | -112.2 | 100.7 | 165.2 | -80.7 | 2.1 | 0 | 0 | 0 | 108.1 | V1949 | V1949-N1951 VanDerWaalsContact C-N 3.27Å; V1949-N1951 HydrophobicContact CG1-CB 4.17Å; V1949-N1951 WeakPolarHBondContact CG1-ND2 3.44Å; V1949-N1951 VanDerWaalsContact CG1-OD1 3.31Å; V1949-N1951 WeakPolarHBondContact CG1-OD1 3.06Å; V1949-N1951 PolarHBondContact O-N 3.04Å; V1949-N1951 VanDerWaalsContact O-N 3.14Å | ||
| 1952 | L | 33.1 | Very low | 44.2 | Very low | 156 Ų | 156 | 119.1 Ų | 119.1 | 82% | 0.817 | 66% | 0.656 | S | S | * | * | trans | -169 | 95.3 | 156.5 | -117.4 | 120.9 | 0 | 0 | 0 | 108.4 | I1954 | L1952-I1954 VanDerWaalsContact C-N 3.35Å; L1952-I1954 HydrophobicContact CD2-CD1 3.83Å; L1952-I1954 HydrophobicContact CD2-CG1 4.25Å; L1952-I1954 HydrophobicContact CG-CD1 4.46Å; L1952-I1954 HydrophobicContact CG-CG1 4.36Å; L1952-I1954 PolarHBondContact O-N 3.25Å | ||
| 1953 | D | 30.9 | Very low | 42.4 | Very low | 160.2 Ų | 160.2 | 122.3 Ų | 122.3 | 86% | 0.857 | 68% | 0.68 | S | S | * | * | trans | -59 | 101.8 | 171.4 | -64.4 | -56.5 | 0 | 0 | 0 | 110.4 | ||||
| 1954 | I | 34.7 | Very low | 40.8 | Very low | 123.8 Ų | 123.8 | 125.7 Ų | 125.7 | 64% | 0.635 | 70% | 0.7 | S | S | * | * | trans | -124.8 | 106.7 | 158.6 | -58.5 | 177.8 | 0 | 0 | 0 | 106.4 | L1952 T1956 | L1952-I1954 VanDerWaalsContact C-N 3.35Å; L1952-I1954 HydrophobicContact CD2-CD1 3.83Å; L1952-I1954 HydrophobicContact CD2-CG1 4.25Å; L1952-I1954 HydrophobicContact CG-CD1 4.46Å; L1952-I1954 HydrophobicContact CG-CG1 4.36Å; L1952-I1954 PolarHBondContact O-N 3.25Å; I1954-T1956 VanDerWaalsContact C-N 3.32Å; I1954-T1956 HydrophobicContact CG2-CG2 4.09Å; I1954-T1956 PolarHBondContact O-N 2.77Å; I1954-T1956 VanDerWaalsContact O-N 3.11Å | ||
| 1955 | P | 36.8 | Very low | 39.2 | Very low | 128.8 Ų | 128.8 | 127.3 Ų | 127.3 | 84% | 0.836 | 71% | 0.709 | S | S | * | * | trans | -80.2 | 93.5 | -179.1 | 31.4 | -30.7 | 0 | 0 | 0 | 109 | ||||
| 1956 | T | 32.6 | Very low | 38.1 | Very low | 122.4 Ų | 122.4 | 121.9 Ų | 121.9 | 75% | 0.751 | 70% | 0.7 | S | S | * | * | trans | -125.1 | 116.7 | 170.5 | 46.1 | 0 | 0 | 0 | 0 | 111.4 | I1954 | I1954-T1956 VanDerWaalsContact C-N 3.32Å; I1954-T1956 HydrophobicContact CG2-CG2 4.09Å; I1954-T1956 PolarHBondContact O-N 2.77Å; I1954-T1956 VanDerWaalsContact O-N 3.11Å | ||
| 1957 | G | 32.9 | Very low | 37.8 | Very low | 69.4 Ų | 69.4 | 119.6 Ų | 119.6 | 72% | 0.715 | 69% | 0.691 | S | S | * | * | trans | 41 | 109.6 | 154.1 | 0 | 0 | 0 | 0 | 0 | 119 | V1959 | G1957-V1959 PolarHBondContact O-N 3.3Š| ||
| 1958 | N | 33 | Very low | 38.2 | Very low | 160 Ų | 160 | 122.9 Ų | 122.9 | 86% | 0.856 | 70% | 0.7 | S | S | * | * | trans | 33.1 | 83 | 141.2 | -72.4 | -12.5 | 0 | 0 | 0 | 118.4 | ||||
| 1959 | V | 38.4 | Very low | 39.4 | Very low | 132.8 Ų | 132.8 | 123.3 Ų | 123.3 | 81% | 0.805 | 70% | 0.697 | S | S | * | * | trans | -136.3 | 104.2 | 143.5 | -175.5 | 0 | 0 | 0 | 0 | 108 | G1957 D1961 | G1957-V1959 PolarHBondContact O-N 3.3Å; V1959-D1961 PolarHBondContact O-N 2.69Å | ||
| 1960 | K | 35.9 | Very low | 41.1 | Very low | 180.2 Ų | 180.2 | 123.1 Ų | 123.1 | 78% | 0.783 | 69% | 0.686 | S | S | * | * | trans | -76.3 | 142.4 | 170.8 | -71 | 177.5 | 177.1 | 176.3 | 0 | 108.5 | ||||
| 1961 | D | 38.4 | Very low | 43 | Very low | 141.2 Ų | 141.2 | 120.8 Ų | 120.8 | 76% | 0.755 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 116 | 14.3 | 159.3 | -58.4 | -18.8 | 0 | 0 | 0 | 118.3 | V1959 | V1959-D1961 PolarHBondContact O-N 2.69Š|
| 1962 | H | 39.7 | Very low | 44.8 | Very low | 171.6 Ų | 171.6 | 117.6 Ų | 117.6 | 79% | 0.794 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -117.7 | 4.3 | 167.5 | -78.1 | -37.1 | 0 | 0 | 0 | 116.5 | T1964 | H1962-T1964 PolarHBondContact O-N 2.9Š|
| 1963 | S | 45.3 | Very low | 46.7 | Very low | 84 Ų | 84 | 112.5 Ų | 112.5 | 59% | 0.587 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -80.6 | -17.2 | -174.5 | 60.7 | 0 | 0 | 0 | 0 | 115.8 | N1965 S1966 T1967 | S1963-N1965 PolarHBondContact O-N 3.16Å; S1963-S1966 PolarHBondContact O-N 2.64Å; S1963-S1966 PolarHBondContact O-OG 3.18Å; S1963-T1967 WeakPolarHBondContact O-CG2 3.22Å; S1963-T1967 PolarHBondContact O-N 2.94Å; S1963-T1967 PolarHBondContact O-OG1 3.15Å; S1963-T1967 VanDerWaalsContact O-OG1 3.04Å |
| 1964 | T | 45.9 | Very low | 48.8 | Very low | 85.8 Ų | 85.8 | 109 Ų | 109 | 53% | 0.526 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -77.8 | -20.8 | -170.3 | 59.7 | 0 | 0 | 0 | 0 | 114.9 | H1962 T1967 K1968 | H1962-T1964 PolarHBondContact O-N 2.9Å; T1964-T1967 PolarHBondContact O-OG1 3.24Å; T1964-T1967 VanDerWaalsContact O-OG1 3.12Å; T1964-K1968 VanDerWaalsContact O-CD 3.24Å; T1964-K1968 WeakPolarHBondContact O-CD 3.43Å; T1964-K1968 WeakPolarHBondContact O-CE 3.36Å; T1964-K1968 VanDerWaalsContact O-CG 3.23Å; T1964-K1968 WeakPolarHBondContact O-CG 3.27Å; T1964-K1968 PolarHBondContact O-N 3.47Å |
| 1965 | N | 44.7 | Very low | 50.8 | Low | 92.8 Ų | 92.8 | 109.2 Ų | 109.2 | 50% | 0.496 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -85.9 | -32.5 | 178.4 | -79.2 | -13.8 | 0 | 0 | 0 | 112.9 | S1963 T1967 K1968 N1969 | S1963-N1965 PolarHBondContact O-N 3.16Å; N1965-T1967 VanDerWaalsContact C-N 3.34Å; N1965-T1967 PolarHBondContact O-N 2.98Å; N1965-K1968 PolarHBondContact O-N 3.02Å; N1965-K1968 PolarHBondContact OD1-NZ 3.2Å; N1965-N1969 PolarHBondContact O-N 3.2Å; N1965-N1969 VanDerWaalsContact O-N 3.1Å |
| 1966 | S | 48.1 | Very low | 52.9 | Low | 77.8 Ų | 77.8 | 104.5 Ų | 104.5 | 54% | 0.544 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.8 | -41.5 | 176.6 | 109.4 | 0 | 0 | 0 | 0 | 111.5 | S1963 K1968 N1969 K1970 | S1963-S1966 PolarHBondContact O-N 2.64Å; S1963-S1966 PolarHBondContact O-OG 3.18Å; S1966-K1968 PolarHBondContact O-N 3.44Å; S1966-N1969 PolarHBondContact O-N 3.18Å; S1966-K1970 PolarHBondContact O-N 3.17Å; S1966-K1970 VanDerWaalsContact O-N 3.11Å |
| 1967 | T | 51.4 | Low | 55.3 | Low | 80.6 Ų | 80.6 | 100 Ų | 100 | 49% | 0.494 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 178.4 | 51.4 | 0 | 0 | 0 | 0 | 112.3 | S1963 T1964 N1965 N1969 K1970 V1971 | S1963-T1967 WeakPolarHBondContact O-CG2 3.22Å; S1963-T1967 PolarHBondContact O-N 2.94Å; S1963-T1967 PolarHBondContact O-OG1 3.15Å; S1963-T1967 VanDerWaalsContact O-OG1 3.04Å; T1964-T1967 PolarHBondContact O-OG1 3.24Å; T1964-T1967 VanDerWaalsContact O-OG1 3.12Å; N1965-T1967 VanDerWaalsContact C-N 3.34Å; N1965-T1967 PolarHBondContact O-N 2.98Å; T1967-N1969 VanDerWaalsContact C-N 3.33Å; T1967-N1969 PolarHBondContact O-N 3.17Å; T1967-K1970 PolarHBondContact O-N 3.16Å; T1967-V1971 WeakPolarHBondContact O-CG2 3.36Å; T1967-V1971 PolarHBondContact O-N 3.04Å; T1967-V1971 VanDerWaalsContact O-N 3.12Å |
| 1968 | K | 53.4 | Low | 57.5 | Low | 134.8 Ų | 134.8 | 100.3 Ų | 100.3 | 59% | 0.586 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.9 | -42.2 | 175.8 | -74.3 | 176.6 | -175.5 | 172.6 | 0 | 112.6 | T1964 N1965 S1966 V1971 C1972 | T1964-K1968 VanDerWaalsContact O-CD 3.24Å; T1964-K1968 WeakPolarHBondContact O-CD 3.43Å; T1964-K1968 WeakPolarHBondContact O-CE 3.36Å; T1964-K1968 VanDerWaalsContact O-CG 3.23Å; T1964-K1968 WeakPolarHBondContact O-CG 3.27Å; T1964-K1968 PolarHBondContact O-N 3.47Å; N1965-K1968 PolarHBondContact O-N 3.02Å; N1965-K1968 PolarHBondContact OD1-NZ 3.2Å; S1966-K1968 PolarHBondContact O-N 3.44Å; K1968-V1971 PolarHBondContact O-N 2.96Å; K1968-C1972 WeakPolarHBondContact O-CB 3.46Å; K1968-C1972 PolarHBondContact O-N 3.18Å; K1968-C1972 VanDerWaalsContact O-N 3.1Å; K1968-C1972 PolarHBondContact O-SG 2.99Å; K1968-C1972 VanDerWaalsContact O-SG 3.37Å |
| 1969 | N | 61.2 | Low | 59.9 | Low | 109.8 Ų | 109.8 | 94.4 Ų | 94.4 | 59% | 0.587 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.2 | -41.8 | 178.3 | -78.8 | -8 | 0 | 0 | 0 | 112 | N1965 S1966 T1967 V1971 C1972 V1973 | N1965-N1969 PolarHBondContact O-N 3.2Å; N1965-N1969 VanDerWaalsContact O-N 3.1Å; S1966-N1969 PolarHBondContact O-N 3.18Å; T1967-N1969 VanDerWaalsContact C-N 3.33Å; T1967-N1969 PolarHBondContact O-N 3.17Å; N1969-V1971 PolarHBondContact O-N 3.25Å; N1969-C1972 PolarHBondContact O-N 3.16Å; N1969-V1973 WeakPolarHBondContact O-CG2 3.37Å; N1969-V1973 PolarHBondContact O-N 3.21Å |
| 1970 | K | 66.7 | Low | 62.1 | Low | 121.6 Ų | 121.6 | 88.1 Ų | 88.1 | 53% | 0.529 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.5 | -48.9 | 176.1 | -157 | 179.7 | 177.5 | -176.2 | 0 | 111.6 | S1966 T1967 C1972 V1973 E1974 | S1966-K1970 PolarHBondContact O-N 3.17Å; S1966-K1970 VanDerWaalsContact O-N 3.11Å; T1967-K1970 PolarHBondContact O-N 3.16Å; K1970-C1972 VanDerWaalsContact C-N 3.31Å; K1970-C1972 PolarHBondContact O-N 3.25Å; K1970-V1973 PolarHBondContact O-N 3.22Å; K1970-V1973 VanDerWaalsContact O-N 3.09Å; K1970-E1974 VanDerWaalsContact CE-OE1 3.22Å; K1970-E1974 WeakPolarHBondContact CE-OE1 3.45Å; K1970-E1974 WeakPolarHBondContact O-CB 3.37Å; K1970-E1974 WeakPolarHBondContact O-CG 3.32Å; K1970-E1974 PolarHBondContact O-N 3.21Å |
| 1971 | V | 70.4 | Confident | 64.4 | Low | 71.4 Ų | 71.4 | 80 Ų | 80 | 43% | 0.433 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.6 | -37.3 | 177.5 | 174.8 | 0 | 0 | 0 | 0 | 112 | T1967 K1968 N1969 R1975 | T1967-V1971 WeakPolarHBondContact O-CG2 3.36Å; T1967-V1971 PolarHBondContact O-N 3.04Å; T1967-V1971 VanDerWaalsContact O-N 3.12Å; K1968-V1971 PolarHBondContact O-N 2.96Å; N1969-V1971 PolarHBondContact O-N 3.25Å; V1971-R1975 VanDerWaalsContact O-CB 3.31Å; V1971-R1975 WeakPolarHBondContact O-CB 3.3Å; V1971-R1975 PolarHBondContact O-N 2.97Å |
| 1972 | C | 67.2 | Low | 66.4 | Low | 64 Ų | 64 | 74.7 Ų | 74.7 | 43% | 0.432 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 176.8 | -107.8 | 0 | 0 | 0 | 0 | 112.6 | K1968 N1969 K1970 R1975 L1976 | K1968-C1972 WeakPolarHBondContact O-CB 3.46Å; K1968-C1972 PolarHBondContact O-N 3.18Å; K1968-C1972 VanDerWaalsContact O-N 3.1Å; K1968-C1972 PolarHBondContact O-SG 2.99Å; K1968-C1972 VanDerWaalsContact O-SG 3.37Å; N1969-C1972 PolarHBondContact O-N 3.16Å; K1970-C1972 VanDerWaalsContact C-N 3.31Å; K1970-C1972 PolarHBondContact O-N 3.25Å; C1972-R1975 PolarHBondContact O-N 3.04Å; C1972-L1976 PolarHBondContact O-N 3.26Å |
| 1973 | V | 73.8 | Confident | 68.4 | Low | 49.4 Ų | 49.4 | 66.9 Ų | 66.9 | 30% | 0.299 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.2 | -43.2 | 176.4 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | V1947 N1969 K1970 R1975 L1976 R1977 | V1947-V1973 HydrophobicContact CG2-CG1 4.22Å; N1969-V1973 WeakPolarHBondContact O-CG2 3.37Å; N1969-V1973 PolarHBondContact O-N 3.21Å; K1970-V1973 PolarHBondContact O-N 3.22Å; K1970-V1973 VanDerWaalsContact O-N 3.09Å; V1973-R1975 VanDerWaalsContact C-N 3.34Å; V1973-R1975 PolarHBondContact O-N 3.16Å; V1973-L1976 WeakPolarHBondContact O-CB 3.19Å; V1973-L1976 PolarHBondContact O-N 3.2Å; V1973-R1977 WeakPolarHBondContact O-CD 3.33Å; V1973-R1977 VanDerWaalsContact O-CG 3.3Å; V1973-R1977 WeakPolarHBondContact O-CG 3.31Å; V1973-R1977 PolarHBondContact O-N 3.12Å |
| 1974 | E | 74.7 | Confident | 70.3 | Confident | 86.4 Ų | 86.4 | 63 Ų | 63 | 40% | 0.404 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.3 | -47.9 | 173.7 | -75 | 169.5 | -174.6 | 0 | 0 | 111 | K1970 L1976 R1977 H1978 | K1970-E1974 VanDerWaalsContact CE-OE1 3.22Å; K1970-E1974 WeakPolarHBondContact CE-OE1 3.45Å; K1970-E1974 WeakPolarHBondContact O-CB 3.37Å; K1970-E1974 WeakPolarHBondContact O-CG 3.32Å; K1970-E1974 PolarHBondContact O-N 3.21Å; E1974-L1976 VanDerWaalsContact C-N 3.32Å; E1974-L1976 PolarHBondContact O-N 3.18Å; E1974-R1977 WeakPolarHBondContact O-CB 3.41Å; E1974-R1977 PolarHBondContact O-N 3.19Å; E1974-R1977 VanDerWaalsContact O-N 3.14Å; E1974-H1978 PolarHBondContact O-N 3.22Å; E1974-H1978 VanDerWaalsContact O-N 3.09Å; E1974-H1978 PolarHBondContact O-ND1 3.14Å |
| 1975 | R | 76.5 | Confident | 71.9 | Confident | 128.4 Ų | 128.4 | 59.9 Ų | 59.9 | 49% | 0.485 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58 | -42.4 | 175.9 | -173.7 | -178.3 | -65 | 127.1 | -0 | 112.4 | V1971 C1972 V1973 R1977 H1978 Q1979 | V1971-R1975 VanDerWaalsContact O-CB 3.31Å; V1971-R1975 WeakPolarHBondContact O-CB 3.3Å; V1971-R1975 PolarHBondContact O-N 2.97Å; C1972-R1975 PolarHBondContact O-N 3.04Å; V1973-R1975 VanDerWaalsContact C-N 3.34Å; V1973-R1975 PolarHBondContact O-N 3.16Å; R1975-R1977 VanDerWaalsContact C-N 3.33Å; R1975-R1977 PolarHBondContact O-N 3.12Å; R1975-H1978 WeakPolarHBondContact O-CB 3.34Å; R1975-H1978 PolarHBondContact O-N 3.23Å; R1975-Q1979 WeakPolarHBondContact O-CG 3.38Å; R1975-Q1979 PolarHBondContact O-N 3.15Å |
| 1976 | L | 79.5 | Confident | 73.4 | Confident | 30.8 Ų | 30.8 | 59 Ų | 59 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.7 | -41 | 177.4 | -179 | 64.8 | 0 | 0 | 0 | 111.7 | W1939 C1972 V1973 E1974 H1978 Q1979 L1980 L2041 | W1939-L1976 HydrophobicContact CH2-CD1 4.35Å; W1939-L1976 HydrophobicContact CZ2-CD1 3.83Å; W1939-L1976 HydrophobicContact CZ2-CD2 4.19Å; C1972-L1976 PolarHBondContact O-N 3.26Å; V1973-L1976 WeakPolarHBondContact O-CB 3.19Å; V1973-L1976 PolarHBondContact O-N 3.2Å; E1974-L1976 VanDerWaalsContact C-N 3.32Å; E1974-L1976 PolarHBondContact O-N 3.18Å; L1976-H1978 VanDerWaalsContact C-N 3.32Å; L1976-H1978 PolarHBondContact O-N 3.14Å; L1976-Q1979 PolarHBondContact O-N 3.13Å; L1976-L1980 HydrophobicContact CD1-CD1 4.42Å; L1976-L1980 HydrophobicContact CD1-CG 4.35Å; L1976-L1980 HydrophobicContact CG-CD1 4.08Å; L1976-L1980 HydrophobicContact CG-CG 4.42Å; L1976-L1980 WeakPolarHBondContact O-CB 3.25Å; L1976-L1980 VanDerWaalsContact O-CG 3.29Å; L1976-L1980 WeakPolarHBondContact O-CG 3.33Å; L1976-L1980 PolarHBondContact O-N 3.18Å; L1976-L2041 HydrophobicContact CD1-CD2 3.8Å |
| 1977 | R | 83.2 | Confident | 74.8 | Confident | 27.6 Ų | 27.6 | 55.5 Ų | 55.5 | 10% | 0.104 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 176.3 | -64.6 | 160.8 | 75.3 | 108.8 | -0.5 | 111.6 | F1708 E1712 L1940 N1944 V1973 E1974 R1975 Q1979 L1980 L1981 | F1708-R1977 HydrophobicContact CZ-CB 4.19Å; E1712-R1977 IonicContact OE1-CZ 3.19Å; E1712-R1977 IonicContact OE1-NE 3.25Å; E1712-R1977 PolarHBondContact OE1-NE 3.16Å; E1712-R1977 IonicContact OE1-NH1 3.22Å; E1712-R1977 IonicContact OE1-NH2 3.54Å; E1712-R1977 PolarHBondContact OE1-NH2 3.28Å; E1712-R1977 IonicContact OE2-CZ 3.19Å; E1712-R1977 VanDerWaalsContact OE2-CZ 3.25Å; E1712-R1977 IonicContact OE2-NE 3.13Å; E1712-R1977 PolarHBondContact OE2-NE 3.22Å; E1712-R1977 VanDerWaalsContact OE2-NE 3.09Å; E1712-R1977 IonicContact OE2-NH2 3.35Å; E1712-R1977 PolarHBondContact OE2-NH2 3.32Å; L1940-R1977 HydrophobicContact CD1-CB 3.95Å; L1940-R1977 HydrophobicContact CD1-CG 4.06Å; L1940-R1977 PolarHBondContact O-NH1 3.05Å; N1944-R1977 VanDerWaalsContact CB-NH1 3.28Å; N1944-R1977 VanDerWaalsContact CG-CZ 3.49Å; N1944-R1977 VanDerWaalsContact CG-NH2 3.3Å; N1944-R1977 VanDerWaalsContact N-NH1 3.16Å; N1944-R1977 PolarHBondContact ND2-NH1 3.36Å; N1944-R1977 PolarHBondContact ND2-NH2 3.15Å; N1944-R1977 VanDerWaalsContact OD1-CZ 3.28Å; N1944-R1977 PolarHBondContact OD1-NH1 3.26Å; N1944-R1977 PolarHBondContact OD1-NH2 3.09Å; V1973-R1977 WeakPolarHBondContact O-CD 3.33Å; V1973-R1977 VanDerWaalsContact O-CG 3.3Å; V1973-R1977 WeakPolarHBondContact O-CG 3.31Å; V1973-R1977 PolarHBondContact O-N 3.12Å; E1974-R1977 WeakPolarHBondContact O-CB 3.41Å; E1974-R1977 PolarHBondContact O-N 3.19Å; E1974-R1977 VanDerWaalsContact O-N 3.14Å; R1975-R1977 VanDerWaalsContact C-N 3.33Å; R1975-R1977 PolarHBondContact O-N 3.12Å; R1977-Q1979 VanDerWaalsContact C-N 3.34Å; R1977-Q1979 PolarHBondContact O-N 2.96Å; R1977-L1980 PolarHBondContact O-N 3.06Å; R1977-L1981 WeakPolarHBondContact O-CB 3.18Å; R1977-L1981 PolarHBondContact O-N 3.05Å |
| 1978 | H | 80 | Confident | 75.5 | Confident | 75.8 Ų | 75.8 | 55.7 Ų | 55.7 | 35% | 0.351 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 174.2 | -71.5 | 80.7 | 0 | 0 | 0 | 111.7 | F1708 E1974 R1975 L1976 L1980 L1981 A1982 | F1708-H1978 AromaticContact CD1-CE1 3.73Å; F1708-H1978 AromaticContact CD1-NE2 3.62Å; F1708-H1978 AromaticContact CD2-CD2 3.56Å; F1708-H1978 VanDerWaalsContact CD2-CD2 3.45Å; F1708-H1978 WeakPolarHBondContact CD2-CD2 3.5Å; F1708-H1978 AromaticContact CD2-NE2 3.84Å; F1708-H1978 AromaticContact CE1-CD2 3.95Å; F1708-H1978 AromaticContact CE1-CE1 3.6Å; F1708-H1978 VanDerWaalsContact CE1-CE1 3.44Å; F1708-H1978 WeakPolarHBondContact CE1-CE1 3.28Å; F1708-H1978 AromaticContact CE1-ND1 3.78Å; F1708-H1978 AromaticContact CE1-NE2 3.7Å; F1708-H1978 VanDerWaalsContact CE2-CA 3.48Å; F1708-H1978 HydrophobicContact CE2-CB 4.1Å; F1708-H1978 AromaticContact CE2-CD2 3.46Å; F1708-H1978 VanDerWaalsContact CE2-CD2 3.49Å; F1708-H1978 WeakPolarHBondContact CE2-CD2 3.32Å; F1708-H1978 AromaticContact CE2-CG 3.65Å; F1708-H1978 AromaticContact CE2-ND1 3.95Å; F1708-H1978 AromaticContact CE2-NE2 3.92Å; F1708-H1978 AromaticContact CG-CD2 3.89Å; F1708-H1978 AromaticContact CG-NE2 3.7Å; F1708-H1978 WeakPolarHBondContact CG-NE2 3.38Å; F1708-H1978 HydrophobicContact CZ-CB 4.28Å; F1708-H1978 AromaticContact CZ-CD2 3.73Å; F1708-H1978 AromaticContact CZ-CE1 3.81Å; F1708-H1978 AromaticContact CZ-CG 3.64Å; F1708-H1978 AromaticContact CZ-ND1 3.69Å; F1708-H1978 AromaticContact CZ-NE2 3.85Å; E1974-H1978 PolarHBondContact O-N 3.22Å; E1974-H1978 VanDerWaalsContact O-N 3.09Å; E1974-H1978 PolarHBondContact O-ND1 3.14Å; R1975-H1978 WeakPolarHBondContact O-CB 3.34Å; R1975-H1978 PolarHBondContact O-N 3.23Å; L1976-H1978 VanDerWaalsContact C-N 3.32Å; L1976-H1978 PolarHBondContact O-N 3.14Å; H1978-L1980 PolarHBondContact O-N 2.92Å; H1978-L1981 PolarHBondContact O-N 3.32Å; H1978-A1982 VanDerWaalsContact O-CB 3.28Å; H1978-A1982 WeakPolarHBondContact O-CB 3.38Å; H1978-A1982 PolarHBondContact O-N 3.27Å |
| 1979 | Q | 82.6 | Confident | 75.6 | Confident | 34.8 Ų | 34.8 | 53.9 Ų | 53.9 | 16% | 0.163 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 176.1 | -68.7 | 174.9 | -17.5 | 0 | 0 | 112 | R1975 L1976 R1977 L1981 A1982 E1983 F2040 L2041 | R1975-Q1979 WeakPolarHBondContact O-CG 3.38Å; R1975-Q1979 PolarHBondContact O-N 3.15Å; L1976-Q1979 PolarHBondContact O-N 3.13Å; R1977-Q1979 VanDerWaalsContact C-N 3.34Å; R1977-Q1979 PolarHBondContact O-N 2.96Å; Q1979-L1981 PolarHBondContact O-N 3.16Å; Q1979-A1982 PolarHBondContact O-N 3.03Å; Q1979-E1983 WeakPolarHBondContact O-CB 3.47Å; Q1979-E1983 WeakPolarHBondContact O-CG 3.41Å; Q1979-E1983 PolarHBondContact O-N 3.22Å; Q1979-F2040 HydrophobicContact CB-CB 4.02Å; Q1979-F2040 HydrophobicContact CG-CB 4.08Å; Q1979-F2040 PolarHBondContact NE2-O 3.19Å; Q1979-F2040 PolarHBondContact OE1-O 3.03Å; Q1979-L2041 HydrophobicContact CB-CD2 3.85Å; Q1979-L2041 HydrophobicContact CB-CG 4.49Å |
| 1980 | L | 85.8 | Confident | 75 | Confident | 1.6 Ų | 1.6 | 52.1 Ų | 52.1 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 178.8 | -72.9 | 169.6 | 0 | 0 | 0 | 112.7 | L1936 W1939 L1940 L1976 R1977 H1978 E1983 L1984 L2041 | L1936-L1980 HydrophobicContact CD2-CD2 3.82Å; W1939-L1980 HydrophobicContact CB-CD1 4.2Å; W1939-L1980 HydrophobicContact CB-CD2 4.22Å; W1939-L1980 HydrophobicContact CD2-CD1 4.22Å; W1939-L1980 HydrophobicContact CD2-CD2 3.63Å; W1939-L1980 HydrophobicContact CD2-CG 4.48Å; W1939-L1980 HydrophobicContact CE3-CD2 3.89Å; W1939-L1980 HydrophobicContact CG-CD1 4.01Å; W1939-L1980 HydrophobicContact CG-CD2 3.94Å; W1939-L1980 HydrophobicContact CZ3-CD2 4.14Å; L1940-L1980 HydrophobicContact CB-CD1 4.36Å; L1940-L1980 HydrophobicContact CD1-CB 4.27Å; L1940-L1980 HydrophobicContact CD1-CD1 4.4Å; L1976-L1980 HydrophobicContact CD1-CD1 4.42Å; L1976-L1980 HydrophobicContact CD1-CG 4.35Å; L1976-L1980 HydrophobicContact CG-CD1 4.08Å; L1976-L1980 HydrophobicContact CG-CG 4.42Å; L1976-L1980 WeakPolarHBondContact O-CB 3.25Å; L1976-L1980 VanDerWaalsContact O-CG 3.29Å; L1976-L1980 WeakPolarHBondContact O-CG 3.33Å; L1976-L1980 PolarHBondContact O-N 3.18Å; R1977-L1980 PolarHBondContact O-N 3.06Å; H1978-L1980 PolarHBondContact O-N 2.92Å; L1980-E1983 PolarHBondContact O-N 2.9Å; L1980-L1984 WeakPolarHBondContact O-CB 3.39Å; L1980-L1984 PolarHBondContact O-N 3.12Å; L1980-L2041 HydrophobicContact CD2-CD1 3.92Å; L1980-L2041 HydrophobicContact CD2-CD2 3.88Å; L1980-L2041 HydrophobicContact CD2-CG 4.4Å; L1980-L2041 HydrophobicContact CG-CD1 4.36Å; L1980-L2041 HydrophobicContact CG-CD2 4.15Å |
| 1981 | L | 83.9 | Confident | 73.7 | Confident | 9.8 Ų | 9.8 | 48.8 Ų | 48.8 | 5% | 0.051 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.4 | -37.4 | 177.2 | -119.4 | 140.4 | 0 | 0 | 0 | 112.1 | P1666 F1708 D1711 E1712 V1715 L1940 R1977 H1978 Q1979 E1983 L1984 S1985 | P1666-L1981 HydrophobicContact CB-CD1 4.36Å; P1666-L1981 HydrophobicContact CG-CD1 4.18Å; P1666-L1981 HydrophobicContact CG-CD2 4.4Å; F1708-L1981 HydrophobicContact CD2-CD1 4.07Å; F1708-L1981 HydrophobicContact CD2-CD2 3.73Å; F1708-L1981 VanDerWaalsContact CD2-CD2 3.41Å; F1708-L1981 HydrophobicContact CE1-CD1 4.41Å; F1708-L1981 HydrophobicContact CE2-CB 3.89Å; F1708-L1981 HydrophobicContact CE2-CD1 3.44Å; F1708-L1981 HydrophobicContact CE2-CD2 3.6Å; F1708-L1981 HydrophobicContact CE2-CG 4.15Å; F1708-L1981 HydrophobicContact CG-CD2 4.17Å; F1708-L1981 HydrophobicContact CZ-CB 4.27Å; F1708-L1981 HydrophobicContact CZ-CD1 3.76Å; F1708-L1981 VanDerWaalsContact CZ-CD1 3.41Å; F1708-L1981 HydrophobicContact CZ-CD2 3.88Å; D1711-L1981 HydrophobicContact CB-CD1 4.02Å; D1711-L1981 HydrophobicContact CB-CD2 4.02Å; E1712-L1981 VanDerWaalsContact CA-CD1 3.48Å; E1712-L1981 HydrophobicContact CB-CD1 3.66Å; E1712-L1981 HydrophobicContact CB-CD2 4.42Å; E1712-L1981 HydrophobicContact CG-CD1 3.92Å; V1715-L1981 HydrophobicContact CB-CD2 4.29Å; V1715-L1981 HydrophobicContact CG2-CD1 3.87Å; V1715-L1981 HydrophobicContact CG2-CD2 3.78Å; L1940-L1981 HydrophobicContact CD1-CD1 4.32Å; L1940-L1981 HydrophobicContact CD1-CG 4.33Å; L1940-L1981 HydrophobicContact CD2-CD1 4.29Å; L1940-L1981 HydrophobicContact CD2-CD2 3.93Å; L1940-L1981 HydrophobicContact CD2-CG 4.19Å; R1977-L1981 WeakPolarHBondContact O-CB 3.18Å; R1977-L1981 PolarHBondContact O-N 3.05Å; H1978-L1981 PolarHBondContact O-N 3.32Å; Q1979-L1981 PolarHBondContact O-N 3.16Å; L1981-E1983 VanDerWaalsContact C-N 3.35Å; L1981-L1984 HydrophobicContact CD2-CD2 4.2Å; L1981-L1984 PolarHBondContact O-N 3.34Å; L1981-S1985 WeakPolarHBondContact O-CB 3.35Å; L1981-S1985 PolarHBondContact O-N 3.12Å; L1981-S1985 PolarHBondContact O-OG 3.01Å |
| 1982 | A | 81.3 | Confident | 72.1 | Confident | 29.6 Ų | 29.6 | 48 Ų | 48 | 25% | 0.245 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H1978 Q1979 L1984 S1985 L1986 F2040 | H1978-A1982 VanDerWaalsContact O-CB 3.28Å; H1978-A1982 WeakPolarHBondContact O-CB 3.38Å; H1978-A1982 PolarHBondContact O-N 3.27Å; Q1979-A1982 PolarHBondContact O-N 3.03Å; A1982-L1984 VanDerWaalsContact C-N 3.33Å; A1982-L1984 PolarHBondContact O-N 3.12Å; A1982-S1985 WeakPolarHBondContact CA-OG 3.47Å; A1982-S1985 WeakPolarHBondContact O-CB 3.39Å; A1982-S1985 PolarHBondContact O-N 3.05Å; A1982-S1985 PolarHBondContact O-OG 3.26Å; A1982-S1985 VanDerWaalsContact O-OG 3.06Å; A1982-L1986 WeakPolarHBondContact O-CG 3.38Å; A1982-L1986 PolarHBondContact O-N 3.16Å; A1982-L1986 VanDerWaalsContact O-N 3.15Å; A1982-F2040 HydrophobicContact CB-CD2 3.63Å; A1982-F2040 HydrophobicContact CB-CE2 3.62Å; A1982-F2040 HydrophobicContact CB-CG 4.15Å; A1982-F2040 HydrophobicContact CB-CZ 4.15Å |
| 1983 | E | 81.5 | Confident | 70.5 | Confident | 8.8 Ų | 8.8 | 50 Ų | 50 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 171.6 | -89.1 | -79.2 | 177.9 | 0 | 0 | 112.1 | I1868 L1936 Q1979 L1980 L1981 S1985 L1986 T1987 S2039 F2040 L2041 | I1868-E1983 WeakPolarHBondContact CG2-OE1 3.36Å; L1936-E1983 HydrophobicContact CD1-CB 3.84Å; L1936-E1983 HydrophobicContact CD1-CG 4.2Å; L1936-E1983 HydrophobicContact CD2-CB 3.9Å; L1936-E1983 HydrophobicContact CD2-CG 4.35Å; L1936-E1983 HydrophobicContact CG-CB 4.47Å; Q1979-E1983 WeakPolarHBondContact O-CB 3.47Å; Q1979-E1983 WeakPolarHBondContact O-CG 3.41Å; Q1979-E1983 PolarHBondContact O-N 3.22Å; L1980-E1983 PolarHBondContact O-N 2.9Å; L1981-E1983 VanDerWaalsContact C-N 3.35Å; E1983-S1985 VanDerWaalsContact C-N 3.29Å; E1983-S1985 PolarHBondContact O-N 3.09Å; E1983-L1986 WeakPolarHBondContact O-CB 3.44Å; E1983-L1986 PolarHBondContact O-N 3.11Å; E1983-L1986 VanDerWaalsContact O-N 3.14Å; E1983-T1987 WeakPolarHBondContact O-CG2 3.41Å; E1983-T1987 PolarHBondContact O-N 3.05Å; E1983-S2039 VanDerWaalsContact CD-OG 3.29Å; E1983-S2039 WeakPolarHBondContact OE1-CA 3.42Å; E1983-S2039 WeakPolarHBondContact OE1-CB 3.34Å; E1983-S2039 PolarHBondContact OE1-OG 3.23Å; E1983-S2039 PolarHBondContact OE2-OG 2.89Å; E1983-F2040 HydrophobicContact CG-CB 4.26Å; E1983-F2040 HydrophobicContact CG-CD2 4.23Å; E1983-F2040 PolarHBondContact OE1-N 3.12Å; E1983-L2041 HydrophobicContact CG-CD1 4.35Å; E1983-L2041 HydrophobicContact CG-CG 4.13Å; E1983-L2041 WeakPolarHBondContact OE2-CD1 3.44Å; E1983-L2041 WeakPolarHBondContact OE2-CG 3.2Å |
| 1984 | L | 84.8 | Confident | 68.6 | Low | 1.4 Ų | 1.4 | 52.2 Ų | 52.2 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.1 | -36.6 | -179.9 | -166.7 | 84.6 | 0 | 0 | 0 | 111.5 | V1715 R1933 L1936 A1937 L1980 L1981 A1982 L1986 T1987 | V1715-L1984 HydrophobicContact CB-CD2 4.14Å; V1715-L1984 HydrophobicContact CG1-CD2 3.54Å; V1715-L1984 HydrophobicContact CG2-CD2 3.42Å; R1933-L1984 HydrophobicContact CB-CD1 3.96Å; R1933-L1984 HydrophobicContact CG-CD1 3.96Å; L1936-L1984 HydrophobicContact CB-CB 4.44Å; L1936-L1984 HydrophobicContact CB-CD1 3.97Å; L1936-L1984 HydrophobicContact CB-CG 4.36Å; L1936-L1984 HydrophobicContact CD1-CB 4.16Å; L1936-L1984 HydrophobicContact CD1-CD1 4Å; L1936-L1984 HydrophobicContact CD1-CG 4.31Å; A1937-L1984 HydrophobicContact CB-CD1 4.27Å; L1980-L1984 WeakPolarHBondContact O-CB 3.39Å; L1980-L1984 PolarHBondContact O-N 3.12Å; L1981-L1984 HydrophobicContact CD2-CD2 4.2Å; L1981-L1984 PolarHBondContact O-N 3.34Å; A1982-L1984 VanDerWaalsContact C-N 3.33Å; A1982-L1984 PolarHBondContact O-N 3.12Å; L1984-L1986 VanDerWaalsContact C-N 3.32Å; L1984-L1986 PolarHBondContact O-N 3.22Å; L1984-T1987 WeakPolarHBondContact O-CB 3.34Å; L1984-T1987 PolarHBondContact O-N 3.24Å; L1984-T1987 VanDerWaalsContact O-N 3.15Å; L1984-T1987 PolarHBondContact O-OG1 3.18Å |
| 1985 | S | 79.6 | Confident | 66.6 | Low | 20.6 Ų | 20.6 | 50.4 Ų | 50.4 | 14% | 0.144 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.7 | -34.5 | 175.7 | 73.7 | 0 | 0 | 0 | 0 | 113 | L1668 L1981 A1982 E1983 T1987 H1988 | L1668-S1985 VanDerWaalsContact CD1-CB 3.45Å; L1981-S1985 WeakPolarHBondContact O-CB 3.35Å; L1981-S1985 PolarHBondContact O-N 3.12Å; L1981-S1985 PolarHBondContact O-OG 3.01Å; A1982-S1985 WeakPolarHBondContact CA-OG 3.47Å; A1982-S1985 WeakPolarHBondContact O-CB 3.39Å; A1982-S1985 PolarHBondContact O-N 3.05Å; A1982-S1985 PolarHBondContact O-OG 3.26Å; A1982-S1985 VanDerWaalsContact O-OG 3.06Å; E1983-S1985 VanDerWaalsContact C-N 3.29Å; E1983-S1985 PolarHBondContact O-N 3.09Å; S1985-T1987 PolarHBondContact O-N 3.15Å; S1985-T1987 VanDerWaalsContact O-N 3.16Å; S1985-H1988 VanDerWaalsContact O-CB 3.27Å; S1985-H1988 WeakPolarHBondContact O-CB 3.34Å; S1985-H1988 PolarHBondContact O-N 3.12Å; S1985-H1988 VanDerWaalsContact O-N 3.15Å |
| 1986 | L | 75.9 | Confident | 64.4 | Low | 73.6 Ų | 73.6 | 49.8 Ų | 49.8 | 39% | 0.385 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.1 | -25.3 | 173 | -69.4 | 176.3 | 0 | 0 | 0 | 112.3 | A1982 E1983 L1984 H1988 L1989 N1990 F2040 | A1982-L1986 WeakPolarHBondContact O-CG 3.38Å; A1982-L1986 PolarHBondContact O-N 3.16Å; A1982-L1986 VanDerWaalsContact O-N 3.15Å; E1983-L1986 WeakPolarHBondContact O-CB 3.44Å; E1983-L1986 PolarHBondContact O-N 3.11Å; E1983-L1986 VanDerWaalsContact O-N 3.14Å; L1984-L1986 VanDerWaalsContact C-N 3.32Å; L1984-L1986 PolarHBondContact O-N 3.22Å; L1986-H1988 VanDerWaalsContact C-N 3.26Å; L1986-H1988 PolarHBondContact O-N 3.21Å; L1986-H1988 VanDerWaalsContact O-N 3.15Å; L1986-L1989 HydrophobicContact CD2-CD1 4.44Å; L1986-L1989 PolarHBondContact O-N 3.11Å; L1986-L1989 VanDerWaalsContact O-N 3.14Å; L1986-N1990 PolarHBondContact O-N 3.03Å; L1986-F2040 HydrophobicContact CD1-CD2 4.08Å; L1986-F2040 HydrophobicContact CD1-CE2 3.75Å; L1986-F2040 HydrophobicContact CG-CE2 4.16Å |
| 1987 | T | 76.5 | Confident | 62 | Low | 4.4 Ų | 4.4 | 51.5 Ų | 51.5 | 3% | 0.027 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -71.9 | -6.2 | 175.2 | 80.3 | 0 | 0 | 0 | 0 | 114.2 | T1665 L1929 R1933 L1936 E1983 L1984 S1985 | T1665-T1987 VanDerWaalsContact CG2-OG1 3.24Å; T1665-T1987 WeakPolarHBondContact CG2-OG1 3.36Å; L1929-T1987 HydrophobicContact CD1-CG2 4.46Å; R1933-T1987 HydrophobicContact CG-CG2 4.32Å; R1933-T1987 WeakPolarHBondContact CG-OG1 3.33Å; R1933-T1987 PolarHBondContact NE-OG1 3.14Å; R1933-T1987 PolarHBondContact NH2-O 3.11Å; L1936-T1987 HydrophobicContact CD1-CG2 4.24Å; E1983-T1987 WeakPolarHBondContact O-CG2 3.41Å; E1983-T1987 PolarHBondContact O-N 3.05Å; L1984-T1987 WeakPolarHBondContact O-CB 3.34Å; L1984-T1987 PolarHBondContact O-N 3.24Å; L1984-T1987 VanDerWaalsContact O-N 3.15Å; L1984-T1987 PolarHBondContact O-OG1 3.18Å; S1985-T1987 PolarHBondContact O-N 3.15Å; S1985-T1987 VanDerWaalsContact O-N 3.16Å |
| 1988 | H | 66.5 | Low | 59.3 | Low | 86 Ų | 86 | 57.6 Ų | 57.6 | 40% | 0.398 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -80.1 | -40.2 | 171.8 | -166.6 | -89.5 | 0 | 0 | 0 | 111.4 | T1665 S1985 L1986 N1990 S1991 | T1665-H1988 HydrophobicContact CG2-CB 4.25Å; T1665-H1988 PolarHBondContact OG1-CD2 2.93Å; S1985-H1988 VanDerWaalsContact O-CB 3.27Å; S1985-H1988 WeakPolarHBondContact O-CB 3.34Å; S1985-H1988 PolarHBondContact O-N 3.12Å; S1985-H1988 VanDerWaalsContact O-N 3.15Å; L1986-H1988 VanDerWaalsContact C-N 3.26Å; L1986-H1988 PolarHBondContact O-N 3.21Å; L1986-H1988 VanDerWaalsContact O-N 3.15Å; H1988-N1990 VanDerWaalsContact C-N 3.33Å; H1988-N1990 PolarHBondContact O-N 3.17Å; H1988-S1991 PolarHBondContact O-N 2.7Å |
| 1989 | L | 56.2 | Low | 56.9 | Low | 95.6 Ų | 95.6 | 58.9 Ų | 58.9 | 50% | 0.501 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -75.5 | 19.9 | -178.7 | -73.5 | 144.5 | 0 | 0 | 0 | 112.4 | F1670 L1929 L1986 S1991 S1992 S1994 | F1670-L1989 HydrophobicContact CE2-CD1 4.26Å; L1929-L1989 HydrophobicContact CD2-CD1 3.93Å; L1986-L1989 HydrophobicContact CD2-CD1 4.44Å; L1986-L1989 PolarHBondContact O-N 3.11Å; L1986-L1989 VanDerWaalsContact O-N 3.14Å; L1989-S1991 PolarHBondContact O-N 2.85Å; L1989-S1991 VanDerWaalsContact O-N 3.14Å; L1989-S1992 PolarHBondContact O-N 3.05Å; L1989-S1994 PolarHBondContact O-OG 2.88Å |
| 1990 | N | 48 | Very low | 54.3 | Low | 73 Ų | 73 | 65.9 Ų | 65.9 | 39% | 0.39 | 39% | 0.391 | S | S | . | . | trans | -68.8 | 50.6 | 166.2 | -71.9 | -4.7 | 0 | 0 | 0 | 111.2 | R1471 L1986 H1988 S1992 S1994 | R1471-N1990 PolarHBondContact NH2-ND2 2.91Å; L1986-N1990 PolarHBondContact O-N 3.03Å; H1988-N1990 VanDerWaalsContact C-N 3.33Å; H1988-N1990 PolarHBondContact O-N 3.17Å; N1990-S1992 PolarHBondContact O-N 3.42Å; N1990-S1994 PolarHBondContact OD1-OG 3.05Å | ||
| 1991 | S | 39.5 | Very low | 51.5 | Low | 52.2 Ų | 52.2 | 69.5 Ų | 69.5 | 37% | 0.365 | 42% | 0.421 | S | S | . | . | trans | -72.1 | 132.7 | 163.7 | 125 | 0 | 0 | 0 | 0 | 109.8 | R1471 H1988 L1989 V1993 S1994 | R1471-S1991 VanDerWaalsContact CZ-OG 3.26Å; R1471-S1991 PolarHBondContact NH1-OG 3.11Å; R1471-S1991 VanDerWaalsContact NH2-CB 3.25Å; R1471-S1991 PolarHBondContact NH2-OG 3.2Å; H1988-S1991 PolarHBondContact O-N 2.7Å; L1989-S1991 PolarHBondContact O-N 2.85Å; L1989-S1991 VanDerWaalsContact O-N 3.14Å; S1991-V1993 PolarHBondContact O-N 3.08Å; S1991-V1993 WeakPolarHBondContact OG-CB 3.46Å; S1991-V1993 PolarHBondContact OG-N 3.41Å; S1991-S1994 PolarHBondContact O-N 3.29Å; S1991-S1994 VanDerWaalsContact O-N 3.16Å | ||
| 1992 | S | 37.1 | Very low | 48.8 | Very low | 55 Ų | 55 | 78.4 Ų | 78.4 | 39% | 0.385 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 2.1 | -179.9 | 2.7 | 0 | 0 | 0 | 0 | 116.2 | S1921 L1989 N1990 | S1921-S1992 VanDerWaalsContact CA-CB 3.43Å; S1921-S1992 WeakPolarHBondContact CB-O 3.38Å; S1921-S1992 WeakPolarHBondContact O-CB 3.34Å; L1989-S1992 PolarHBondContact O-N 3.05Å; N1990-S1992 PolarHBondContact O-N 3.42Å |
| 1993 | V | 34.1 | Very low | 46.2 | Very low | 104.2 Ų | 104.2 | 84.8 Ų | 84.8 | 63% | 0.632 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | 0.5 | 175 | -172 | 0 | 0 | 0 | 0 | 112.5 | P1400 S1991 G1995 A2001 | P1400-V1993 HydrophobicContact CB-CG2 4.36Å; S1991-V1993 PolarHBondContact O-N 3.08Å; S1991-V1993 WeakPolarHBondContact OG-CB 3.46Å; S1991-V1993 PolarHBondContact OG-N 3.41Å; V1993-G1995 PolarHBondContact O-N 3.06Å; V1993-A2001 HydrophobicContact CG1-CB 3.99Å |
| 1994 | S | 33 | Very low | 43.6 | Very low | 96.4 Ų | 96.4 | 91.4 Ų | 91.4 | 67% | 0.674 | 52% | 0.52 | S | S | * | . | trans | -74.4 | 36.3 | 175.6 | -63.7 | 0 | 0 | 0 | 0 | 112.7 | L1989 N1990 S1991 L1996 | L1989-S1994 PolarHBondContact O-OG 2.88Å; N1990-S1994 PolarHBondContact OD1-OG 3.05Å; S1991-S1994 PolarHBondContact O-N 3.29Å; S1991-S1994 VanDerWaalsContact O-N 3.16Å; S1994-L1996 PolarHBondContact O-N 2.94Å | ||
| 1995 | G | 32.7 | Very low | 40.9 | Very low | 48.6 Ų | 48.6 | 98 Ų | 98 | 50% | 0.501 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -87.2 | 98.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1993 G1997 F1998 | V1993-G1995 PolarHBondContact O-N 3.06Å; G1995-G1997 VanDerWaalsContact C-N 3.33Å; G1995-G1997 PolarHBondContact O-N 3.17Å; G1995-G1997 VanDerWaalsContact O-N 3.13Å; G1995-F1998 PolarHBondContact O-N 3.05Å |
| 1996 | L | 31.1 | Very low | 38.4 | Very low | 115 Ų | 115 | 101.9 Ų | 101.9 | 60% | 0.602 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | 114.4 | 170.5 | -88.5 | 73.9 | 0 | 0 | 0 | 111.6 | S1872 S1873 P1874 P1917 S1994 F1998 | S1872-L1996 WeakPolarHBondContact O-CD2 3.47Å; S1873-L1996 VanDerWaalsContact C-CD2 3.45Å; P1874-L1996 HydrophobicContact CB-CD2 3.78Å; P1874-L1996 HydrophobicContact CG-CD2 4.22Å; P1874-L1996 VanDerWaalsContact N-CD2 3.33Å; P1917-L1996 HydrophobicContact CB-CD1 3.36Å; P1917-L1996 HydrophobicContact CB-CD2 3.81Å; P1917-L1996 HydrophobicContact CB-CG 3.8Å; P1917-L1996 HydrophobicContact CG-CD1 3.6Å; P1917-L1996 HydrophobicContact CG-CD2 3.97Å; P1917-L1996 HydrophobicContact CG-CG 4.08Å; S1994-L1996 PolarHBondContact O-N 2.94Å; L1996-F1998 PolarHBondContact O-N 3.4Å |
| 1997 | G | 28.9 | Very low | 36.2 | Very low | 68.2 Ų | 68.2 | 103.4 Ų | 103.4 | 70% | 0.703 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 115.6 | 36.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | G1995 P1999 | G1995-G1997 VanDerWaalsContact C-N 3.33Å; G1995-G1997 PolarHBondContact O-N 3.17Å; G1995-G1997 VanDerWaalsContact O-N 3.13Å; G1997-P1999 WeakPolarHBondContact O-CD 3.44Å |
| 1998 | F | 27 | Very low | 33.8 | Very low | 155 Ų | 155 | 110.2 Ų | 110.2 | 68% | 0.68 | 63% | 0.633 | S | S | * | * | trans | -86.6 | 110.9 | 171.5 | -77.2 | -76.6 | 0 | 0 | 0 | 113.4 | P1917 G1995 L1996 F2000 A2001 | P1917-F1998 HydrophobicContact CB-CD2 3.87Å; P1917-F1998 HydrophobicContact CB-CE2 3.11Å; P1917-F1998 HydrophobicContact CB-CZ 3.57Å; P1917-F1998 HydrophobicContact CG-CD2 4.35Å; P1917-F1998 HydrophobicContact CG-CE2 3.74Å; P1917-F1998 HydrophobicContact CG-CZ 3.8Å; G1995-F1998 PolarHBondContact O-N 3.05Å; L1996-F1998 PolarHBondContact O-N 3.4Å; F1998-F2000 VanDerWaalsContact C-N 3.31Å; F1998-F2000 PolarHBondContact O-N 3.16Å; F1998-A2001 HydrophobicContact CB-CB 4.23Å; F1998-A2001 PolarHBondContact O-N 3.23Å | ||
| 1999 | P | 29.1 | Very low | 31.9 | Very low | 103 Ų | 103 | 110.8 Ų | 110.8 | 67% | 0.669 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 0.1 | -178 | 0.6 | 6.2 | 0 | 0 | 0 | 115.2 | G1997 A2001 | G1997-P1999 WeakPolarHBondContact O-CD 3.44Å; P1999-A2001 VanDerWaalsContact C-N 3.34Å; P1999-A2001 PolarHBondContact O-N 3.44Å |
| 2000 | F | 27.5 | Very low | 30.7 | Very low | 182.4 Ų | 182.4 | 111 Ų | 111 | 80% | 0.8 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -4.8 | -173.7 | -81.7 | -79.4 | 0 | 0 | 0 | 115.7 | F1998 K2002 | F1998-F2000 VanDerWaalsContact C-N 3.31Å; F1998-F2000 PolarHBondContact O-N 3.16Å; F2000-K2002 PolarHBondContact O-N 3.19Å; F2000-K2002 VanDerWaalsContact O-N 3.15Å |
| 2001 | A | 27.4 | Very low | 29.8 | Very low | 77 Ų | 77 | 112.1 Ų | 112.1 | 64% | 0.636 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -96.7 | 18 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1993 F1998 P1999 Q2003 | V1993-A2001 HydrophobicContact CG1-CB 3.99Å; F1998-A2001 HydrophobicContact CB-CB 4.23Å; F1998-A2001 PolarHBondContact O-N 3.23Å; P1999-A2001 VanDerWaalsContact C-N 3.34Å; P1999-A2001 PolarHBondContact O-N 3.44Å; A2001-Q2003 VanDerWaalsContact C-N 3.32Å; A2001-Q2003 PolarHBondContact O-N 3.43Å |
| 2002 | K | 26.9 | Very low | 29.2 | Very low | 195.8 Ų | 195.8 | 115.5 Ų | 115.5 | 85% | 0.851 | 70% | 0.704 | S | S | * | * | trans | -96 | 22.1 | 178.4 | -103.3 | -178 | -179.9 | 178.6 | 0 | 113.1 | F2000 | F2000-K2002 PolarHBondContact O-N 3.19Å; F2000-K2002 VanDerWaalsContact O-N 3.15Å | ||
| 2003 | Q | 27.1 | Very low | 28.7 | Very low | 164.2 Ų | 164.2 | 121.5 Ų | 121.5 | 77% | 0.767 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -121 | 28.6 | 176.8 | -82.4 | -175.7 | -4.5 | 0 | 0 | 114.4 | A2001 | A2001-Q2003 VanDerWaalsContact C-N 3.32Å; A2001-Q2003 PolarHBondContact O-N 3.43Å |
| 2004 | N | 26.8 | Very low | 28.2 | Very low | 148.2 Ų | 148.2 | 119.8 Ų | 119.8 | 79% | 0.793 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -108.4 | 37.7 | -175.7 | -75 | -20.4 | 0 | 0 | 0 | 117.2 | S2006 | N2004-S2006 PolarHBondContact O-N 3.16Š|
| 2005 | I | 27 | Very low | 27.9 | Very low | 139 Ų | 139 | 121 Ų | 121 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | -104.6 | 43.6 | 169.3 | -51 | 174.4 | 0 | 0 | 0 | 110.5 | S2007 L2008 | I2005-S2007 VanDerWaalsContact C-N 3.31Å; I2005-S2007 PolarHBondContact O-N 3.19Å; I2005-L2008 HydrophobicContact CG2-CB 4.44Å | ||
| 2006 | S | 28.7 | Very low | 27.7 | Very low | 103.8 Ų | 103.8 | 124 Ų | 124 | 73% | 0.726 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -95.1 | 20.8 | 170.2 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | N2004 S2009 | N2004-S2006 PolarHBondContact O-N 3.16Å; S2006-S2009 PolarHBondContact O-OG 3.39Å; S2006-S2009 VanDerWaalsContact O-OG 3.07Å |
| 2007 | S | 29.2 | Very low | 27.5 | Very low | 105.2 Ų | 105.2 | 126.2 Ų | 126.2 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -121.7 | 3.4 | 172.4 | 54.7 | 0 | 0 | 0 | 0 | 115.1 | I2005 | I2005-S2007 VanDerWaalsContact C-N 3.31Å; I2005-S2007 PolarHBondContact O-N 3.19Å |
| 2008 | L | 26.4 | Very low | 27.5 | Very low | 146.6 Ų | 146.6 | 128.6 Ų | 128.6 | 77% | 0.768 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -113.5 | 33.1 | 175.6 | -89.8 | 136.8 | 0 | 0 | 0 | 113.5 | I2005 | I2005-L2008 HydrophobicContact CG2-CB 4.44Š|
| 2009 | S | 26.9 | Very low | 27.5 | Very low | 98.4 Ų | 98.4 | 126.4 Ų | 126.4 | 69% | 0.688 | 77% | 0.771 | S | S | * | * | trans | -124.8 | 47 | 170.3 | 72.2 | 0 | 0 | 0 | 0 | 113 | S2006 A2011 | S2006-S2009 PolarHBondContact O-OG 3.39Å; S2006-S2009 VanDerWaalsContact O-OG 3.07Å; S2009-A2011 PolarHBondContact O-N 2.86Å | ||
| 2010 | A | 30.7 | Very low | 27.5 | Very low | 99.4 Ų | 99.4 | 129.8 Ų | 129.8 | 82% | 0.821 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -124.5 | 18.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 2011 | A | 28.6 | Very low | 27.4 | Very low | 96.8 Ų | 96.8 | 129.5 Ų | 129.5 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -132.6 | 30.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S2009 | S2009-A2011 PolarHBondContact O-N 2.86Š|
| 2012 | C | 27.8 | Very low | 27.4 | Very low | 123.6 Ų | 123.6 | 134 Ų | 134 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -143.4 | 24.8 | 172.8 | -77.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 2013 | M | 25.7 | Very low | 27.3 | Very low | 181.6 Ų | 181.6 | 129.8 Ų | 129.8 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | -107.1 | 57 | 172.6 | -72.9 | -66.5 | -85.6 | 0 | 0 | 110.8 | C2015 | M2013-C2015 VanDerWaalsContact C-N 3.34Å; M2013-C2015 PolarHBondContact O-N 2.89Å | ||
| 2014 | G | 24.6 | Very low | 27.3 | Very low | 67.8 Ų | 67.8 | 127.3 Ų | 127.3 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | -119.1 | 72.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P2016 | G2014-P2016 VanDerWaalsContact C-CD 3.47Å; G2014-P2016 VanDerWaalsContact O-CD 3.24Å; G2014-P2016 WeakPolarHBondContact O-CD 3.26Å | ||
| 2015 | C | 25.5 | Very low | 27.3 | Very low | 121.8 Ų | 121.8 | 131.9 Ų | 131.9 | 82% | 0.823 | 79% | 0.794 | S | S | * | * | trans | -95.9 | 104.9 | 162.7 | -76.6 | 0 | 0 | 0 | 0 | 108.5 | M2013 | M2013-C2015 VanDerWaalsContact C-N 3.34Å; M2013-C2015 PolarHBondContact O-N 2.89Å | ||
| 2016 | P | 29.3 | Very low | 27.3 | Very low | 112.2 Ų | 112.2 | 130.9 Ų | 130.9 | 73% | 0.729 | 80% | 0.799 | S | S | * | * | trans | -78.8 | 132.8 | 166.2 | 30.7 | -26.6 | 0 | 0 | 0 | 108.8 | G2014 S2018 | G2014-P2016 VanDerWaalsContact C-CD 3.47Å; G2014-P2016 VanDerWaalsContact O-CD 3.24Å; G2014-P2016 WeakPolarHBondContact O-CD 3.26Å; P2016-S2018 PolarHBondContact O-N 3.03Å | ||
| 2017 | N | 26 | Very low | 27.2 | Very low | 159.6 Ų | 159.6 | 137.6 Ų | 137.6 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | 60.5 | 89 | 165.3 | -56.3 | -16.1 | 0 | 0 | 0 | 115.1 | ||||
| 2018 | S | 28.3 | Very low | 27.1 | Very low | 118.2 Ų | 118.2 | 136.8 Ų | 136.8 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | -146.3 | 87.4 | 142.3 | 168.1 | 0 | 0 | 0 | 0 | 108.6 | P2016 Q2020 | P2016-S2018 PolarHBondContact O-N 3.03Å; S2018-Q2020 PolarHBondContact O-N 2.87Å | ||
| 2019 | S | 27.7 | Very low | 27.2 | Very low | 109.8 Ų | 109.8 | 136.8 Ų | 136.8 | 77% | 0.768 | 81% | 0.809 | S | S | * | * | trans | -69.7 | 114.5 | 169.2 | 50.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 2020 | Q | 28.6 | Very low | 27.1 | Very low | 175.4 Ų | 175.4 | 137.5 Ų | 137.5 | 82% | 0.82 | 81% | 0.812 | S | S | * | * | trans | -162.6 | 103.3 | 151.5 | -77.7 | 179.4 | 9.4 | 0 | 0 | 112.5 | S2018 L2022 | S2018-Q2020 PolarHBondContact O-N 2.87Å; Q2020-L2022 PolarHBondContact O-N 3.25Å | ||
| 2021 | H | 25.4 | Very low | 26.9 | Very low | 175.8 Ų | 175.8 | 139.5 Ų | 139.5 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | 59 | 100.6 | 136.3 | -116.3 | -89.9 | 0 | 0 | 0 | 113.5 | ||||
| 2022 | L | 27.8 | Very low | 26.8 | Very low | 170.4 Ų | 170.4 | 139.5 Ų | 139.5 | 89% | 0.892 | 80% | 0.801 | S | S | * | * | trans | -160.5 | 117.1 | 134.8 | -104.8 | 91.7 | 0 | 0 | 0 | 110.1 | Q2020 S2024 | Q2020-L2022 PolarHBondContact O-N 3.25Å; L2022-S2024 PolarHBondContact O-N 3.29Å | ||
| 2023 | S | 26 | Very low | 26.7 | Very low | 108.4 Ų | 108.4 | 138.5 Ų | 138.5 | 76% | 0.758 | 79% | 0.794 | S | S | * | * | trans | -70.8 | 132.9 | 178.9 | -76.8 | 0 | 0 | 0 | 0 | 112.7 | R2025 | S2023-R2025 PolarHBondContact O-N 2.91Š| ||
| 2024 | S | 27.3 | Very low | 26.9 | Very low | 111.4 Ų | 111.4 | 137.7 Ų | 137.7 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | 61.4 | 92.1 | 137.1 | 136.7 | 0 | 0 | 0 | 0 | 116.3 | L2022 | L2022-S2024 PolarHBondContact O-N 3.29Š| ||
| 2025 | R | 26.8 | Very low | 27.4 | Very low | 245.6 Ų | 245.6 | 137.8 Ų | 137.8 | 93% | 0.927 | 79% | 0.791 | S | S | * | * | trans | -154.4 | 110.1 | 130.1 | -112.9 | 177.8 | -179.1 | 178.3 | 0.5 | 110.9 | S2023 R2027 | S2023-R2025 PolarHBondContact O-N 2.91Å; R2025-R2027 PolarHBondContact O-N 3.28Å | ||
| 2026 | S | 27 | Very low | 27.8 | Very low | 117.4 Ų | 117.4 | 140.6 Ų | 140.6 | 82% | 0.821 | 79% | 0.785 | S | S | * | * | trans | 32.4 | 87.4 | 159.1 | -170.5 | 0 | 0 | 0 | 0 | 115.1 | A2028 | S2026-A2028 VanDerWaalsContact C-N 3.32Å; S2026-A2028 PolarHBondContact O-N 3.19Å; S2026-A2028 VanDerWaalsContact O-N 3.12Å | ||
| 2027 | R | 26.4 | Very low | 28.3 | Very low | 245 Ų | 245 | 137.6 Ų | 137.6 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | trans | -84.9 | 94.6 | 157.6 | -81.5 | -179.5 | 171.2 | 162.3 | -2.4 | 107.6 | R2025 N2029 | R2025-R2027 PolarHBondContact O-N 3.28Å; R2027-N2029 PolarHBondContact O-N 3Å | ||
| 2028 | A | 26.6 | Very low | 29.4 | Very low | 88.4 Ų | 88.4 | 132.4 Ų | 132.4 | 73% | 0.731 | 76% | 0.758 | S | S | * | * | trans | -80 | 111.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | S2026 C2030 | S2026-A2028 VanDerWaalsContact C-N 3.32Å; S2026-A2028 PolarHBondContact O-N 3.19Å; S2026-A2028 VanDerWaalsContact O-N 3.12Å; A2028-C2030 VanDerWaalsContact C-N 3.29Å; A2028-C2030 PolarHBondContact O-N 3.18Å | ||
| 2029 | N | 27.3 | Very low | 31.1 | Very low | 146 Ų | 146 | 128.4 Ų | 128.4 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | trans | -36.3 | 98.1 | 174.2 | -84.4 | -15.6 | 0 | 0 | 0 | 112.7 | R2027 I2031 | R2027-N2029 PolarHBondContact O-N 3Å; N2029-I2031 HydrophobicContact CB-CD1 4.27Å; N2029-I2031 HydrophobicContact CB-CG1 4.27Å; N2029-I2031 PolarHBondContact O-N 3.1Å; N2029-I2031 VanDerWaalsContact O-N 3.09Å | ||
| 2030 | C | 25.7 | Very low | 32.8 | Very low | 113.2 Ų | 113.2 | 128.9 Ų | 128.9 | 77% | 0.765 | 72% | 0.718 | S | S | * | * | trans | -89.7 | 85.1 | 155 | -168.5 | 0 | 0 | 0 | 0 | 107.5 | A2028 C2032 | A2028-C2030 VanDerWaalsContact C-N 3.29Å; A2028-C2030 PolarHBondContact O-N 3.18Å; C2030-C2032 WeakPolarHBondContact CB-SG 3.39Å; C2030-C2032 PolarHBondContact O-N 3.25Å; C2030-C2032 WeakPolarHBondContact SG-CA 3.32Å; C2030-C2032 WeakPolarHBondContact SG-CB 3.43Å; C2030-C2032 CovalentContact SG-SG 2.08Å; C2030-C2032 PolarHBondContact SG-SG 3.38Å; C2030-C2032 VanDerWaalsContact SG-SG 3.62Å | ||
| 2031 | I | 26.8 | Very low | 34.6 | Very low | 140.6 Ų | 140.6 | 122.2 Ų | 122.2 | 72% | 0.721 | 69% | 0.688 | S | S | * | * | trans | -71.7 | 98.8 | 167.7 | -65.3 | 166.1 | 0 | 0 | 0 | 106.1 | N2029 C2033 | N2029-I2031 HydrophobicContact CB-CD1 4.27Å; N2029-I2031 HydrophobicContact CB-CG1 4.27Å; N2029-I2031 PolarHBondContact O-N 3.1Å; N2029-I2031 VanDerWaalsContact O-N 3.09Å; I2031-C2033 PolarHBondContact O-N 3.08Å; I2031-C2033 VanDerWaalsContact O-N 3.1Å | ||
| 2032 | C | 25.7 | Very low | 36.6 | Very low | 98.2 Ų | 98.2 | 114.3 Ų | 114.3 | 66% | 0.664 | 65% | 0.653 | S | S | * | * | trans | -62.1 | 119.2 | 177.3 | -66.6 | 0 | 0 | 0 | 0 | 109.6 | C2030 M2034 | C2030-C2032 WeakPolarHBondContact CB-SG 3.39Å; C2030-C2032 PolarHBondContact O-N 3.25Å; C2030-C2032 WeakPolarHBondContact SG-CA 3.32Å; C2030-C2032 WeakPolarHBondContact SG-CB 3.43Å; C2030-C2032 CovalentContact SG-SG 2.08Å; C2030-C2032 PolarHBondContact SG-SG 3.38Å; C2030-C2032 VanDerWaalsContact SG-SG 3.62Å; C2032-M2034 HydrophobicContact CB-CG 4.41Å; C2032-M2034 PolarHBondContact O-N 3.29Å | ||
| 2033 | C | 26.1 | Very low | 38.3 | Very low | 101.6 Ų | 101.6 | 111.7 Ų | 111.7 | 69% | 0.686 | 64% | 0.636 | S | S | * | * | trans | -66.1 | 73.9 | 165.9 | -66.4 | 0 | 0 | 0 | 0 | 112.5 | I2031 G2035 W2036 | I2031-C2033 PolarHBondContact O-N 3.08Å; I2031-C2033 VanDerWaalsContact O-N 3.1Å; C2033-G2035 PolarHBondContact O-N 3.15Å; C2033-W2036 PolarHBondContact O-N 3.39Å | ||
| 2034 | M | 30.7 | Very low | 40.3 | Very low | 164.6 Ų | 164.6 | 108.3 Ų | 108.3 | 81% | 0.811 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | 13.9 | 155.1 | -71.7 | -71.5 | -87.5 | 0 | 0 | 113.4 | C2032 W2036 | C2032-M2034 HydrophobicContact CB-CG 4.41Å; C2032-M2034 PolarHBondContact O-N 3.29Å; M2034-W2036 VanDerWaalsContact C-N 3.31Å; M2034-W2036 PolarHBondContact O-N 3.3Å |
| 2035 | G | 33.8 | Very low | 42.1 | Very low | 69.4 Ų | 69.4 | 108.8 Ų | 108.8 | 72% | 0.715 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | C2033 | C2033-G2035 PolarHBondContact O-N 3.15Š|
| 2036 | W | 33.7 | Very low | 44.1 | Very low | 182.2 Ų | 182.2 | 99.8 Ų | 99.8 | 69% | 0.69 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -122.7 | 103.4 | -172.4 | -73.2 | 54 | 0 | 0 | 0 | 111 | P1917 C2033 M2034 G2038 H2055 P2057 | P1917-W2036 HydrophobicContact CG-CH2 4.35Å; C2033-W2036 PolarHBondContact O-N 3.39Å; M2034-W2036 VanDerWaalsContact C-N 3.31Å; M2034-W2036 PolarHBondContact O-N 3.3Å; W2036-G2038 VanDerWaalsContact C-N 3.33Å; W2036-G2038 PolarHBondContact O-N 3.15Å; W2036-H2055 HydrophobicContact CE3-CB 4.28Å; W2036-H2055 WeakPolarHBondContact CZ3-O 3.42Å; W2036-P2057 HydrophobicContact CH2-CG 4.31Å; W2036-P2057 VanDerWaalsContact CZ3-CD 3.43Å; W2036-P2057 HydrophobicContact CZ3-CG 4.3Å |
| 2037 | G | 40.7 | Very low | 46.1 | Very low | 48.4 Ų | 48.4 | 94.6 Ų | 94.6 | 50% | 0.499 | 54% | 0.542 | S | S | . | . | trans | 46.2 | 46.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | S2039 I2051 | G2037-S2039 PolarHBondContact O-N 2.71Å; G2037-I2051 WeakPolarHBondContact O-CG2 3.3Å | ||
| 2038 | G | 49.1 | Very low | 48.1 | Very low | 50.4 Ų | 50.4 | 86.9 Ų | 86.9 | 52% | 0.52 | 52% | 0.517 | S | S | . | . | trans | -74.8 | 135.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | W2036 F2040 | W2036-G2038 VanDerWaalsContact C-N 3.33Å; W2036-G2038 PolarHBondContact O-N 3.15Å; G2038-F2040 PolarHBondContact O-N 2.88Å | ||
| 2039 | S | 63.9 | Low | 50.3 | Low | 33.4 Ų | 33.4 | 90.1 Ų | 90.1 | 23% | 0.234 | 51% | 0.51 | C | S | . | . | trans | -98.9 | 128.9 | 170.7 | 172.8 | 0 | 0 | 0 | 0 | 110.2 | E1983 G2037 L2041 A2042 I2051 | E1983-S2039 VanDerWaalsContact CD-OG 3.29Å; E1983-S2039 WeakPolarHBondContact OE1-CA 3.42Å; E1983-S2039 WeakPolarHBondContact OE1-CB 3.34Å; E1983-S2039 PolarHBondContact OE1-OG 3.23Å; E1983-S2039 PolarHBondContact OE2-OG 2.89Å; G2037-S2039 PolarHBondContact O-N 2.71Å; S2039-L2041 PolarHBondContact O-N 3.1Å; S2039-L2041 VanDerWaalsContact O-N 3.08Å; S2039-L2041 WeakPolarHBondContact OG-CB 3Å; S2039-L2041 PolarHBondContact OG-N 3.35Å; S2039-A2042 VanDerWaalsContact O-CB 3.31Å; S2039-A2042 WeakPolarHBondContact O-CB 3.26Å; S2039-A2042 PolarHBondContact O-N 3.15Å; S2039-A2042 VanDerWaalsContact O-N 3.13Å; S2039-I2051 VanDerWaalsContact CB-CD1 3.42Å | ||
| 2040 | F | 64.3 | Low | 52.6 | Low | 122 Ų | 122 | 84.8 Ų | 84.8 | 54% | 0.535 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -14.5 | 176.1 | -76.7 | -77.4 | 0 | 0 | 0 | 113.2 | Q1979 A1982 E1983 L1986 G2038 A2042 | Q1979-F2040 HydrophobicContact CB-CB 4.02Å; Q1979-F2040 HydrophobicContact CG-CB 4.08Å; Q1979-F2040 PolarHBondContact NE2-O 3.19Å; Q1979-F2040 PolarHBondContact OE1-O 3.03Å; A1982-F2040 HydrophobicContact CB-CD2 3.63Å; A1982-F2040 HydrophobicContact CB-CE2 3.62Å; A1982-F2040 HydrophobicContact CB-CG 4.15Å; A1982-F2040 HydrophobicContact CB-CZ 4.15Å; E1983-F2040 HydrophobicContact CG-CB 4.26Å; E1983-F2040 HydrophobicContact CG-CD2 4.23Å; E1983-F2040 PolarHBondContact OE1-N 3.12Å; L1986-F2040 HydrophobicContact CD1-CD2 4.08Å; L1986-F2040 HydrophobicContact CD1-CE2 3.75Å; L1986-F2040 HydrophobicContact CG-CE2 4.16Å; G2038-F2040 PolarHBondContact O-N 2.88Å; F2040-A2042 VanDerWaalsContact C-N 3.33Å |
| 2041 | L | 66.2 | Low | 54.8 | Low | 33.4 Ų | 33.4 | 80.4 Ų | 80.4 | 18% | 0.175 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -13 | 178.3 | -59.6 | 175.4 | 0 | 0 | 0 | 113.1 | N1861 Q1864 T1865 I1868 L1936 W1939 L1976 Q1979 L1980 E1983 S2039 Q2043 | N1861-L2041 PolarHBondContact ND2-O 3.16Å; N1861-L2041 PolarHBondContact OD1-O 3.02Å; N1861-L2041 VanDerWaalsContact OD1-O 3.06Å; Q1864-L2041 HydrophobicContact CB-CD1 4.5Å; T1865-L2041 VanDerWaalsContact CG2-C 3.5Å; T1865-L2041 HydrophobicContact CG2-CB 3.83Å; T1865-L2041 WeakPolarHBondContact CG2-O 3.45Å; T1865-L2041 PolarHBondContact OG1-O 3.18Å; T1865-L2041 VanDerWaalsContact OG1-O 3.11Å; I1868-L2041 HydrophobicContact CD1-CD1 4.03Å; I1868-L2041 HydrophobicContact CG1-CD1 4.13Å; L1936-L2041 HydrophobicContact CD2-CD1 4.22Å; W1939-L2041 HydrophobicContact CE3-CD1 3.98Å; W1939-L2041 HydrophobicContact CH2-CB 3.88Å; W1939-L2041 HydrophobicContact CH2-CD1 4.04Å; W1939-L2041 HydrophobicContact CH2-CD2 4.38Å; W1939-L2041 HydrophobicContact CH2-CG 4.33Å; W1939-L2041 HydrophobicContact CZ3-CB 4.03Å; W1939-L2041 HydrophobicContact CZ3-CD1 4.04Å; W1939-L2041 VanDerWaalsContact CZ3-CD1 3.42Å; W1939-L2041 HydrophobicContact CZ3-CD2 4.5Å; W1939-L2041 HydrophobicContact CZ3-CG 4.19Å; L1976-L2041 HydrophobicContact CD1-CD2 3.8Å; Q1979-L2041 HydrophobicContact CB-CD2 3.85Å; Q1979-L2041 HydrophobicContact CB-CG 4.49Å; L1980-L2041 HydrophobicContact CD2-CD1 3.92Å; L1980-L2041 HydrophobicContact CD2-CD2 3.88Å; L1980-L2041 HydrophobicContact CD2-CG 4.4Å; L1980-L2041 HydrophobicContact CG-CD1 4.36Å; L1980-L2041 HydrophobicContact CG-CD2 4.15Å; E1983-L2041 HydrophobicContact CG-CD1 4.35Å; E1983-L2041 HydrophobicContact CG-CG 4.13Å; E1983-L2041 WeakPolarHBondContact OE2-CD1 3.44Å; E1983-L2041 WeakPolarHBondContact OE2-CG 3.2Å; S2039-L2041 PolarHBondContact O-N 3.1Å; S2039-L2041 VanDerWaalsContact O-N 3.08Å; S2039-L2041 WeakPolarHBondContact OG-CB 3Å; S2039-L2041 PolarHBondContact OG-N 3.35Å; L2041-Q2043 VanDerWaalsContact C-N 3.28Å; L2041-Q2043 PolarHBondContact O-N 2.92Å |
| 2042 | A | 66.2 | Low | 56.9 | Low | 9.8 Ų | 9.8 | 77.6 Ų | 77.6 | 8% | 0.081 | 44% | 0.438 | C | S | . | . | trans | -81.4 | 72.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | T1865 S2039 F2040 S2044 Q2048 I2051 | T1865-A2042 HydrophobicContact CG2-CB 3.6Å; S2039-A2042 VanDerWaalsContact O-CB 3.31Å; S2039-A2042 WeakPolarHBondContact O-CB 3.26Å; S2039-A2042 PolarHBondContact O-N 3.15Å; S2039-A2042 VanDerWaalsContact O-N 3.13Å; F2040-A2042 VanDerWaalsContact C-N 3.33Å; A2042-S2044 VanDerWaalsContact C-N 3.29Å; A2042-S2044 PolarHBondContact O-N 3.47Å; A2042-Q2048 HydrophobicContact CB-CB 4.5Å; A2042-Q2048 HydrophobicContact CB-CG 3.77Å; A2042-Q2048 VanDerWaalsContact O-CG 3.27Å; A2042-Q2048 WeakPolarHBondContact O-CG 3.32Å; A2042-Q2048 PolarHBondContact O-NE2 3.07Å; A2042-I2051 HydrophobicContact CB-CD1 3.55Å; A2042-I2051 VanDerWaalsContact CB-CD1 3.43Å | ||
| 2043 | Q | 64 | Low | 59.2 | Low | 117.2 Ų | 117.2 | 77.6 Ų | 77.6 | 55% | 0.548 | 43% | 0.425 | S | S | . | . | trans | -76.2 | -24.9 | -179.8 | -66.5 | 179.5 | 1.9 | 0 | 0 | 113.1 | N1861 L2041 | N1861-Q2043 VanDerWaalsContact ND2-CD 3.33Å; N1861-Q2043 PolarHBondContact ND2-OE1 3.3Å; L2041-Q2043 VanDerWaalsContact C-N 3.28Å; L2041-Q2043 PolarHBondContact O-N 2.92Å | ||
| 2044 | S | 67 | Low | 61.4 | Low | 35.8 Ų | 35.8 | 73.4 Ų | 73.4 | 25% | 0.25 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -93.3 | 138.4 | 178.5 | 87.8 | 0 | 0 | 0 | 0 | 111.7 | A2042 S2046 S2047 Q2048 | A2042-S2044 VanDerWaalsContact C-N 3.29Å; A2042-S2044 PolarHBondContact O-N 3.47Å; S2044-S2046 PolarHBondContact O-N 3.19Å; S2044-S2046 VanDerWaalsContact O-N 3.11Å; S2044-S2046 PolarHBondContact OG-N 3.28Å; S2044-S2046 PolarHBondContact OG-OG 3.02Å; S2044-S2047 WeakPolarHBondContact O-CB 3.37Å; S2044-S2047 PolarHBondContact O-N 3.25Å; S2044-S2047 PolarHBondContact O-OG 3.22Å; S2044-S2047 WeakPolarHBondContact OG-CB 3.37Å; S2044-S2047 PolarHBondContact OG-N 3.01Å; S2044-S2047 PolarHBondContact OG-OG 3.1Å; S2044-Q2048 PolarHBondContact O-N 3.06Å; S2044-Q2048 VanDerWaalsContact O-N 3.11Å |
| 2045 | M | 66.5 | Low | 63.2 | Low | 121.6 Ų | 121.6 | 68.2 Ų | 68.2 | 60% | 0.599 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -51.7 | -35.1 | 172.4 | -75.2 | -78 | 99.5 | 0 | 0 | 112.5 | S2047 Q2048 R2049 | M2045-S2047 VanDerWaalsContact C-N 3.33Å; M2045-S2047 PolarHBondContact O-N 3.27Å; M2045-Q2048 PolarHBondContact O-N 3.37Å; M2045-R2049 WeakPolarHBondContact O-CB 3.31Å; M2045-R2049 VanDerWaalsContact O-CG 3.32Å; M2045-R2049 WeakPolarHBondContact O-CG 3.37Å; M2045-R2049 PolarHBondContact O-N 3.1Å |
| 2046 | S | 67.5 | Low | 64.8 | Low | 56.4 Ų | 56.4 | 68 Ų | 68 | 39% | 0.394 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.9 | -34.1 | 177.8 | 66.8 | 0 | 0 | 0 | 0 | 113.4 | K1862 S2044 F2050 | K1862-S2046 WeakPolarHBondContact CE-OG 3.38Å; K1862-S2046 PolarHBondContact NZ-OG 2.63Å; K1862-S2046 VanDerWaalsContact NZ-OG 3.17Å; S2044-S2046 PolarHBondContact O-N 3.19Å; S2044-S2046 VanDerWaalsContact O-N 3.11Å; S2044-S2046 PolarHBondContact OG-N 3.28Å; S2044-S2046 PolarHBondContact OG-OG 3.02Å; S2046-F2050 WeakPolarHBondContact O-CB 3.36Å; S2046-F2050 PolarHBondContact O-N 2.98Å; S2046-F2050 VanDerWaalsContact O-N 3.13Å |
| 2047 | S | 69.6 | Low | 66.1 | Low | 9.6 Ų | 9.6 | 63 Ų | 63 | 7% | 0.067 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -76.3 | -39.5 | 177.3 | -39.5 | 0 | 0 | 0 | 0 | 111.2 | T1865 S2044 M2045 R2049 F2050 I2051 | T1865-S2047 VanDerWaalsContact CG2-CB 3.49Å; T1865-S2047 WeakPolarHBondContact OG1-CB 3.41Å; T1865-S2047 PolarHBondContact OG1-OG 3.41Å; S2044-S2047 WeakPolarHBondContact O-CB 3.37Å; S2044-S2047 PolarHBondContact O-N 3.25Å; S2044-S2047 PolarHBondContact O-OG 3.22Å; S2044-S2047 WeakPolarHBondContact OG-CB 3.37Å; S2044-S2047 PolarHBondContact OG-N 3.01Å; S2044-S2047 PolarHBondContact OG-OG 3.1Å; M2045-S2047 VanDerWaalsContact C-N 3.33Å; M2045-S2047 PolarHBondContact O-N 3.27Å; S2047-R2049 VanDerWaalsContact C-N 3.34Å; S2047-R2049 PolarHBondContact O-N 3.11Å; S2047-F2050 WeakPolarHBondContact O-CB 3.27Å; S2047-F2050 PolarHBondContact O-N 3.13Å; S2047-F2050 VanDerWaalsContact O-N 3.15Å; S2047-I2051 WeakPolarHBondContact O-CD1 3.26Å; S2047-I2051 VanDerWaalsContact O-CG1 3.3Å; S2047-I2051 WeakPolarHBondContact O-CG1 3.23Å; S2047-I2051 PolarHBondContact O-N 2.96Å; S2047-I2051 VanDerWaalsContact O-N 3.07Å |
| 2048 | Q | 68.8 | Low | 67.3 | Low | 82.6 Ų | 82.6 | 68.9 Ų | 68.9 | 39% | 0.386 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 172.6 | -68.7 | 179.8 | -2.1 | 0 | 0 | 111.2 | A2042 S2044 M2045 F2050 I2051 T2052 | A2042-Q2048 HydrophobicContact CB-CB 4.5Å; A2042-Q2048 HydrophobicContact CB-CG 3.77Å; A2042-Q2048 VanDerWaalsContact O-CG 3.27Å; A2042-Q2048 WeakPolarHBondContact O-CG 3.32Å; A2042-Q2048 PolarHBondContact O-NE2 3.07Å; S2044-Q2048 PolarHBondContact O-N 3.06Å; S2044-Q2048 VanDerWaalsContact O-N 3.11Å; M2045-Q2048 PolarHBondContact O-N 3.37Å; Q2048-F2050 VanDerWaalsContact C-N 3.32Å; Q2048-F2050 PolarHBondContact O-N 3.28Å; Q2048-I2051 PolarHBondContact O-N 3.22Å; Q2048-I2051 VanDerWaalsContact O-N 3.14Å; Q2048-T2052 WeakPolarHBondContact O-CB 3.39Å; Q2048-T2052 PolarHBondContact O-N 3.3Å; Q2048-T2052 PolarHBondContact O-OG1 3.12Å |
| 2049 | R | 72.4 | Confident | 68.2 | Low | 155.2 Ų | 155.2 | 67.4 Ų | 67.4 | 59% | 0.586 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -58.3 | -43 | 174.2 | -75.6 | -179.6 | -174.9 | -179.5 | 1.8 | 112.2 | M2045 S2047 I2051 T2052 Y2053 | M2045-R2049 WeakPolarHBondContact O-CB 3.31Å; M2045-R2049 VanDerWaalsContact O-CG 3.32Å; M2045-R2049 WeakPolarHBondContact O-CG 3.37Å; M2045-R2049 PolarHBondContact O-N 3.1Å; S2047-R2049 VanDerWaalsContact C-N 3.34Å; S2047-R2049 PolarHBondContact O-N 3.11Å; R2049-I2051 VanDerWaalsContact C-N 3.34Å; R2049-I2051 PolarHBondContact O-N 3.02Å; R2049-T2052 WeakPolarHBondContact O-CB 3.32Å; R2049-T2052 PolarHBondContact O-N 3.32Å; R2049-Y2053 HydrophobicContact CB-CD2 4.39Å; R2049-Y2053 HydrophobicContact CB-CE2 4.05Å; R2049-Y2053 WeakPolarHBondContact O-CB 3.35Å; R2049-Y2053 WeakPolarHBondContact O-CD2 3.39Å; R2049-Y2053 VanDerWaalsContact O-CG 3.29Å; R2049-Y2053 PolarHBondContact O-N 3.29Å |
| 2050 | F | 75.9 | Confident | 68.5 | Low | 35.8 Ų | 35.8 | 69.1 Ų | 69.1 | 16% | 0.157 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 177.6 | -176.1 | -86.7 | 0 | 0 | 0 | 111.5 | R1866 L1870 S2046 S2047 Q2048 T2052 Y2053 T2054 L2067 H2070 A2071 | R1866-F2050 HydrophobicContact CB-CD1 4.06Å; R1866-F2050 HydrophobicContact CB-CE1 3.89Å; R1866-F2050 HydrophobicContact CB-CE2 4.48Å; R1866-F2050 HydrophobicContact CB-CG 4.45Å; R1866-F2050 HydrophobicContact CB-CZ 4.13Å; R1866-F2050 HydrophobicContact CG-CB 4.37Å; R1866-F2050 HydrophobicContact CG-CD1 3.87Å; R1866-F2050 HydrophobicContact CG-CD2 3.98Å; R1866-F2050 HydrophobicContact CG-CE1 4.11Å; R1866-F2050 HydrophobicContact CG-CE2 4.19Å; R1866-F2050 HydrophobicContact CG-CG 3.8Å; R1866-F2050 HydrophobicContact CG-CZ 4.26Å; R1866-F2050 VanDerWaalsContact O-CE1 3.22Å; R1866-F2050 WeakPolarHBondContact O-CE1 3.35Å; L1870-F2050 HydrophobicContact CB-CE1 4.42Å; S2046-F2050 WeakPolarHBondContact O-CB 3.36Å; S2046-F2050 PolarHBondContact O-N 2.98Å; S2046-F2050 VanDerWaalsContact O-N 3.13Å; S2047-F2050 WeakPolarHBondContact O-CB 3.27Å; S2047-F2050 PolarHBondContact O-N 3.13Å; S2047-F2050 VanDerWaalsContact O-N 3.15Å; Q2048-F2050 VanDerWaalsContact C-N 3.32Å; Q2048-F2050 PolarHBondContact O-N 3.28Å; F2050-T2052 VanDerWaalsContact C-N 3.33Å; F2050-T2052 PolarHBondContact O-N 2.99Å; F2050-Y2053 PolarHBondContact O-N 3.17Å; F2050-T2054 HydrophobicContact CD1-CG2 3.96Å; F2050-T2054 HydrophobicContact CE1-CG2 3.56Å; F2050-T2054 VanDerWaalsContact CE1-CG2 3.46Å; F2050-T2054 HydrophobicContact CE2-CG2 4.42Å; F2050-T2054 HydrophobicContact CZ-CG2 4Å; F2050-T2054 WeakPolarHBondContact O-CG2 3.35Å; F2050-T2054 PolarHBondContact O-N 3.03Å; F2050-T2054 PolarHBondContact O-OG1 3.29Å; F2050-L2067 HydrophobicContact CD2-CD2 3.67Å; F2050-L2067 HydrophobicContact CE1-CD2 4.49Å; F2050-L2067 HydrophobicContact CE2-CB 4.38Å; F2050-L2067 HydrophobicContact CE2-CD2 3.4Å; F2050-L2067 VanDerWaalsContact CE2-CD2 3.42Å; F2050-L2067 HydrophobicContact CE2-CG 4.46Å; F2050-L2067 HydrophobicContact CG-CD2 4.38Å; F2050-L2067 HydrophobicContact CZ-CB 4.27Å; F2050-L2067 HydrophobicContact CZ-CD2 3.9Å; F2050-L2067 WeakPolarHBondContact CZ-O 3.21Å; F2050-H2070 HydrophobicContact CE2-CB 3.88Å; F2050-H2070 HydrophobicContact CZ-CB 4.43Å; F2050-A2071 HydrophobicContact CZ-CB 4.43Å |
| 2051 | I | 72.3 | Confident | 68.8 | Low | 20.4 Ų | 20.4 | 68 Ų | 68 | 11% | 0.105 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.8 | -46 | 176.5 | -68.3 | 165.4 | 0 | 0 | 0 | 110.7 | T1865 G2037 S2039 A2042 S2047 Q2048 R2049 Y2053 T2054 H2055 | T1865-I2051 HydrophobicContact CG2-CD1 3.44Å; T1865-I2051 VanDerWaalsContact CG2-CD1 3.47Å; T1865-I2051 HydrophobicContact CG2-CG1 4.15Å; G2037-I2051 WeakPolarHBondContact O-CG2 3.3Å; S2039-I2051 VanDerWaalsContact CB-CD1 3.42Å; A2042-I2051 HydrophobicContact CB-CD1 3.55Å; A2042-I2051 VanDerWaalsContact CB-CD1 3.43Å; S2047-I2051 WeakPolarHBondContact O-CD1 3.26Å; S2047-I2051 VanDerWaalsContact O-CG1 3.3Å; S2047-I2051 WeakPolarHBondContact O-CG1 3.23Å; S2047-I2051 PolarHBondContact O-N 2.96Å; S2047-I2051 VanDerWaalsContact O-N 3.07Å; Q2048-I2051 PolarHBondContact O-N 3.22Å; Q2048-I2051 VanDerWaalsContact O-N 3.14Å; R2049-I2051 VanDerWaalsContact C-N 3.34Å; R2049-I2051 PolarHBondContact O-N 3.02Å; I2051-Y2053 VanDerWaalsContact C-N 3.27Å; I2051-Y2053 PolarHBondContact O-N 3.11Å; I2051-T2054 WeakPolarHBondContact CA-OG1 3.43Å; I2051-T2054 PolarHBondContact O-N 3.1Å; I2051-T2054 VanDerWaalsContact O-N 3.14Å; I2051-T2054 PolarHBondContact O-OG1 3.23Å; I2051-T2054 VanDerWaalsContact O-OG1 3.06Å; I2051-H2055 VanDerWaalsContact CG2-CD2 3.41Å; I2051-H2055 WeakPolarHBondContact CG2-CD2 3.45Å; I2051-H2055 WeakPolarHBondContact O-CB 3.41Å; I2051-H2055 PolarHBondContact O-CD2 3.14Å; I2051-H2055 VanDerWaalsContact O-CD2 3.28Å; I2051-H2055 PolarHBondContact O-N 3.23Å; I2051-H2055 VanDerWaalsContact O-N 3.15Å |
| 2052 | T | 70.7 | Confident | 69 | Low | 82 Ų | 82 | 72.2 Ų | 72.2 | 50% | 0.503 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.2 | -45.2 | 176.5 | -49 | 0 | 0 | 0 | 0 | 110.3 | Q2048 R2049 F2050 T2054 H2055 I2056 | Q2048-T2052 WeakPolarHBondContact O-CB 3.39Å; Q2048-T2052 PolarHBondContact O-N 3.3Å; Q2048-T2052 PolarHBondContact O-OG1 3.12Å; R2049-T2052 WeakPolarHBondContact O-CB 3.32Å; R2049-T2052 PolarHBondContact O-N 3.32Å; F2050-T2052 VanDerWaalsContact C-N 3.33Å; F2050-T2052 PolarHBondContact O-N 2.99Å; T2052-T2054 PolarHBondContact O-N 3.09Å; T2052-H2055 PolarHBondContact O-N 3.2Å; T2052-I2056 WeakPolarHBondContact O-CG1 3.37Å; T2052-I2056 PolarHBondContact O-N 3.06Å |
| 2053 | Y | 73.7 | Confident | 69.4 | Low | 97.6 Ų | 97.6 | 74.1 Ų | 74.1 | 38% | 0.383 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.3 | -37.4 | 177.5 | -72.6 | -55.4 | 0 | 0 | 0 | 113.6 | R2049 F2050 I2051 H2055 I2056 L2059 M2063 | R2049-Y2053 HydrophobicContact CB-CD2 4.39Å; R2049-Y2053 HydrophobicContact CB-CE2 4.05Å; R2049-Y2053 WeakPolarHBondContact O-CB 3.35Å; R2049-Y2053 WeakPolarHBondContact O-CD2 3.39Å; R2049-Y2053 VanDerWaalsContact O-CG 3.29Å; R2049-Y2053 PolarHBondContact O-N 3.29Å; F2050-Y2053 PolarHBondContact O-N 3.17Å; I2051-Y2053 VanDerWaalsContact C-N 3.27Å; I2051-Y2053 PolarHBondContact O-N 3.11Å; Y2053-H2055 VanDerWaalsContact C-N 3.27Å; Y2053-H2055 PolarHBondContact O-N 3.2Å; Y2053-I2056 HydrophobicContact CD1-CD1 3.85Å; Y2053-I2056 HydrophobicContact CE1-CD1 4.45Å; Y2053-I2056 PolarHBondContact O-N 3.2Å; Y2053-L2059 VanDerWaalsContact O-CD1 3.3Å; Y2053-L2059 WeakPolarHBondContact O-CD1 3.38Å; Y2053-L2059 WeakPolarHBondContact O-CG 3.38Å; Y2053-M2063 HydrophobicContact CE1-CE 4.36Å |
| 2054 | T | 72.6 | Confident | 70 | Confident | 13.8 Ų | 13.8 | 70.5 Ų | 70.5 | 9% | 0.085 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.1 | -26.2 | 178.8 | 53.4 | 0 | 0 | 0 | 0 | 112.7 | G1869 L1870 S1873 I1875 F2050 I2051 T2052 L2067 | G1869-T2054 WeakPolarHBondContact O-CB 3.31Å; G1869-T2054 PolarHBondContact O-OG1 3.22Å; L1870-T2054 HydrophobicContact CD1-CG2 4.11Å; S1873-T2054 VanDerWaalsContact CB-O 3.27Å; S1873-T2054 WeakPolarHBondContact CB-O 3.3Å; S1873-T2054 PolarHBondContact OG-O 3.45Å; I1875-T2054 HydrophobicContact CD1-CG2 4.14Å; I1875-T2054 WeakPolarHBondContact CD1-O 3.44Å; F2050-T2054 HydrophobicContact CD1-CG2 3.96Å; F2050-T2054 HydrophobicContact CE1-CG2 3.56Å; F2050-T2054 VanDerWaalsContact CE1-CG2 3.46Å; F2050-T2054 HydrophobicContact CE2-CG2 4.42Å; F2050-T2054 HydrophobicContact CZ-CG2 4Å; F2050-T2054 WeakPolarHBondContact O-CG2 3.35Å; F2050-T2054 PolarHBondContact O-N 3.03Å; F2050-T2054 PolarHBondContact O-OG1 3.29Å; I2051-T2054 WeakPolarHBondContact CA-OG1 3.43Å; I2051-T2054 PolarHBondContact O-N 3.1Å; I2051-T2054 VanDerWaalsContact O-N 3.14Å; I2051-T2054 PolarHBondContact O-OG1 3.23Å; I2051-T2054 VanDerWaalsContact O-OG1 3.06Å; T2052-T2054 PolarHBondContact O-N 3.09Å; T2054-L2067 HydrophobicContact CG2-CB 4.28Å; T2054-L2067 HydrophobicContact CG2-CD1 3.92Å; T2054-L2067 HydrophobicContact CG2-CD2 4.15Å; T2054-L2067 HydrophobicContact CG2-CG 4.35Å |
| 2055 | H | 68.8 | Low | 70.4 | Confident | 54.4 Ų | 54.4 | 69.7 Ų | 69.7 | 25% | 0.252 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -1.5 | 179.8 | -77.8 | -85.7 | 0 | 0 | 0 | 114.5 | S1872 W2036 I2051 T2052 Y2053 P2057 | S1872-H2055 PolarHBondContact O-CE1 3.16Å; S1872-H2055 PolarHBondContact OG-NE2 3.03Å; S1872-H2055 VanDerWaalsContact OG-NE2 3.17Å; W2036-H2055 HydrophobicContact CE3-CB 4.28Å; W2036-H2055 WeakPolarHBondContact CZ3-O 3.42Å; I2051-H2055 VanDerWaalsContact CG2-CD2 3.41Å; I2051-H2055 WeakPolarHBondContact CG2-CD2 3.45Å; I2051-H2055 WeakPolarHBondContact O-CB 3.41Å; I2051-H2055 PolarHBondContact O-CD2 3.14Å; I2051-H2055 VanDerWaalsContact O-CD2 3.28Å; I2051-H2055 PolarHBondContact O-N 3.23Å; I2051-H2055 VanDerWaalsContact O-N 3.15Å; T2052-H2055 PolarHBondContact O-N 3.2Å; Y2053-H2055 VanDerWaalsContact C-N 3.27Å; Y2053-H2055 PolarHBondContact O-N 3.2Å; H2055-P2057 WeakPolarHBondContact O-CD 3.41Å |
| 2056 | I | 67.7 | Low | 70.9 | Confident | 67 Ų | 67 | 68.5 Ų | 68.5 | 34% | 0.344 | 33% | 0.331 | S | S | . | . | trans | -70 | 119.9 | 173.7 | -68 | 167.6 | 0 | 0 | 0 | 108.9 | T2052 Y2053 K2058 L2059 | T2052-I2056 WeakPolarHBondContact O-CG1 3.37Å; T2052-I2056 PolarHBondContact O-N 3.06Å; Y2053-I2056 HydrophobicContact CD1-CD1 3.85Å; Y2053-I2056 HydrophobicContact CE1-CD1 4.45Å; Y2053-I2056 PolarHBondContact O-N 3.2Å; I2056-K2058 VanDerWaalsContact C-N 3.33Å; I2056-K2058 PolarHBondContact O-N 3.28Å; I2056-L2059 HydrophobicContact CB-CD1 3.81Å; I2056-L2059 VanDerWaalsContact CB-CD1 3.47Å; I2056-L2059 HydrophobicContact CB-CG 3.96Å; I2056-L2059 HydrophobicContact CD1-CD1 4.13Å; I2056-L2059 HydrophobicContact CG1-CD1 4.45Å; I2056-L2059 HydrophobicContact CG2-CD1 3.92Å; I2056-L2059 HydrophobicContact CG2-CG 4.09Å; I2056-L2059 WeakPolarHBondContact O-CD1 3.42Å; I2056-L2059 PolarHBondContact O-N 3.44Å | ||
| 2057 | P | 61.1 | Low | 71.5 | Confident | 76.8 Ų | 76.8 | 66.6 Ų | 66.6 | 50% | 0.499 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -27.2 | -175.1 | 5.7 | -7 | 0 | 0 | 0 | 113.5 | M1913 W2036 H2055 L2059 | M1913-P2057 WeakPolarHBondContact CE-O 3.46Å; W2036-P2057 HydrophobicContact CH2-CG 4.31Å; W2036-P2057 VanDerWaalsContact CZ3-CD 3.43Å; W2036-P2057 HydrophobicContact CZ3-CG 4.3Å; H2055-P2057 WeakPolarHBondContact O-CD 3.41Å; P2057-L2059 PolarHBondContact O-N 3.27Å |
| 2058 | K | 65.9 | Low | 72 | Confident | 172.4 Ų | 172.4 | 67 Ų | 67 | 75% | 0.75 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 57.4 | -177.3 | -64.7 | -173.7 | 178.7 | -178.2 | 0 | 112.2 | I2056 C2060 | I2056-K2058 VanDerWaalsContact C-N 3.33Å; I2056-K2058 PolarHBondContact O-N 3.28Å; K2058-C2060 PolarHBondContact O-N 3.17Å |
| 2059 | L | 67.4 | Low | 72.5 | Confident | 18.6 Ų | 18.6 | 63.4 Ų | 63.4 | 10% | 0.097 | 30% | 0.302 | C | S | . | . | trans | -86 | 124.3 | 172.8 | -117.6 | 110.9 | 0 | 0 | 0 | 110.6 | I1875 Y2053 I2056 P2057 M2063 R2064 L2067 | I1875-L2059 HydrophobicContact CD1-CD1 4.3Å; I1875-L2059 HydrophobicContact CD1-CD2 4.46Å; Y2053-L2059 VanDerWaalsContact O-CD1 3.3Å; Y2053-L2059 WeakPolarHBondContact O-CD1 3.38Å; Y2053-L2059 WeakPolarHBondContact O-CG 3.38Å; I2056-L2059 HydrophobicContact CB-CD1 3.81Å; I2056-L2059 VanDerWaalsContact CB-CD1 3.47Å; I2056-L2059 HydrophobicContact CB-CG 3.96Å; I2056-L2059 HydrophobicContact CD1-CD1 4.13Å; I2056-L2059 HydrophobicContact CG1-CD1 4.45Å; I2056-L2059 HydrophobicContact CG2-CD1 3.92Å; I2056-L2059 HydrophobicContact CG2-CG 4.09Å; I2056-L2059 WeakPolarHBondContact O-CD1 3.42Å; I2056-L2059 PolarHBondContact O-N 3.44Å; P2057-L2059 PolarHBondContact O-N 3.27Å; L2059-M2063 HydrophobicContact CD1-CB 4.41Å; L2059-M2063 HydrophobicContact CD2-CB 3.66Å; L2059-M2063 HydrophobicContact CD2-CE 4.42Å; L2059-M2063 HydrophobicContact CG-CB 3.76Å; L2059-R2064 HydrophobicContact CB-CG 3.93Å; L2059-R2064 HydrophobicContact CD1-CG 4.44Å; L2059-R2064 HydrophobicContact CD2-CG 3.89Å; L2059-R2064 HydrophobicContact CG-CG 4.41Å; L2059-R2064 PolarHBondContact O-NE 3.23Å; L2059-R2064 VanDerWaalsContact O-NE 3.11Å; L2059-L2067 HydrophobicContact CD1-CD1 4.38Å; L2059-L2067 HydrophobicContact CD2-CD1 3.57Å; L2059-L2067 VanDerWaalsContact CD2-CD1 3.41Å; L2059-L2067 HydrophobicContact CD2-CG 4.49Å | ||
| 2060 | C | 70.3 | Confident | 72.7 | Confident | 69 Ų | 69 | 59 Ų | 59 | 47% | 0.466 | 29% | 0.288 | S | S | . | . | trans | -62.1 | 154.5 | 176 | 72.4 | 0 | 0 | 0 | 0 | 111.4 | K2058 N2062 M2063 R2064 | K2058-C2060 PolarHBondContact O-N 3.17Å; C2060-N2062 VanDerWaalsContact C-N 3.31Å; C2060-N2062 PolarHBondContact O-N 3.21Å; C2060-N2062 VanDerWaalsContact O-N 3.1Å; C2060-M2063 WeakPolarHBondContact O-CB 3.29Å; C2060-M2063 PolarHBondContact O-N 3.21Å; C2060-M2063 VanDerWaalsContact O-N 3.1Å; C2060-M2063 WeakPolarHBondContact SG-CG 3.37Å; C2060-R2064 PolarHBondContact O-N 3.18Å; C2060-R2064 VanDerWaalsContact O-N 3.16Å | ||
| 2061 | R | 69.6 | Low | 72.9 | Confident | 98.6 Ų | 98.6 | 57.7 Ų | 57.7 | 37% | 0.372 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -48.7 | -49.1 | -177.6 | -175.1 | -179.2 | 169.5 | 179.6 | -5.2 | 112.9 | E1624 Y1882 M2063 R2064 F2065 | E1624-R2061 IonicContact OE1-NH2 2.86Å; Y1882-R2061 VanDerWaalsContact OH-CZ 3.32Å; Y1882-R2061 PolarHBondContact OH-NH1 3.18Å; R2061-M2063 VanDerWaalsContact C-N 3.27Å; R2061-M2063 PolarHBondContact O-N 3.16Å; R2061-R2064 WeakPolarHBondContact O-CB 3.3Å; R2061-R2064 PolarHBondContact O-N 3.23Å; R2061-R2064 VanDerWaalsContact O-N 3.11Å; R2061-F2065 HydrophobicContact CG-CD2 3.84Å; R2061-F2065 HydrophobicContact CG-CE2 3.52Å; R2061-F2065 VanDerWaalsContact CG-CE2 3.45Å; R2061-F2065 HydrophobicContact CG-CZ 4.22Å; R2061-F2065 VanDerWaalsContact O-CD2 3.25Å; R2061-F2065 WeakPolarHBondContact O-CD2 3.42Å; R2061-F2065 PolarHBondContact O-N 3.14Å; R2061-F2065 VanDerWaalsContact O-N 3.08Å |
| 2062 | N | 71.3 | Confident | 73.3 | Confident | 120.6 Ų | 120.6 | 57.1 Ų | 57.1 | 65% | 0.645 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.6 | -37.6 | -178.1 | -70.3 | -11.8 | 0 | 0 | 0 | 113 | C2060 F2065 R2066 | C2060-N2062 VanDerWaalsContact C-N 3.31Å; C2060-N2062 PolarHBondContact O-N 3.21Å; C2060-N2062 VanDerWaalsContact O-N 3.1Å; N2062-F2065 PolarHBondContact O-N 2.93Å; N2062-R2066 WeakPolarHBondContact O-CB 3.33Å; N2062-R2066 PolarHBondContact O-N 3.16Å; N2062-R2066 VanDerWaalsContact O-N 3.08Å |
| 2063 | M | 74.2 | Confident | 73.6 | Confident | 51.6 Ų | 51.6 | 56.2 Ų | 56.2 | 25% | 0.254 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70.2 | -39.8 | 178 | -70.5 | -71.8 | -69.6 | 0 | 0 | 111.5 | Y2053 L2059 C2060 R2061 F2065 R2066 L2067 | Y2053-M2063 HydrophobicContact CE1-CE 4.36Å; L2059-M2063 HydrophobicContact CD1-CB 4.41Å; L2059-M2063 HydrophobicContact CD2-CB 3.66Å; L2059-M2063 HydrophobicContact CD2-CE 4.42Å; L2059-M2063 HydrophobicContact CG-CB 3.76Å; C2060-M2063 WeakPolarHBondContact O-CB 3.29Å; C2060-M2063 PolarHBondContact O-N 3.21Å; C2060-M2063 VanDerWaalsContact O-N 3.1Å; C2060-M2063 WeakPolarHBondContact SG-CG 3.37Å; R2061-M2063 VanDerWaalsContact C-N 3.27Å; R2061-M2063 PolarHBondContact O-N 3.16Å; M2063-F2065 PolarHBondContact O-N 3.31Å; M2063-R2066 WeakPolarHBondContact O-CB 3.47Å; M2063-R2066 PolarHBondContact O-N 3.19Å; M2063-R2066 PolarHBondContact SD-NH1 2.95Å; M2063-R2066 VanDerWaalsContact SD-NH1 3.4Å; M2063-R2066 PolarHBondContact SD-NH2 3.17Å; M2063-R2066 VanDerWaalsContact SD-NH2 3.38Å; M2063-L2067 WeakPolarHBondContact O-CB 3.39Å; M2063-L2067 VanDerWaalsContact O-CG 3.3Å; M2063-L2067 WeakPolarHBondContact O-CG 3.32Å; M2063-L2067 PolarHBondContact O-N 3.41Å |
| 2064 | R | 76.2 | Confident | 73.8 | Confident | 41 Ų | 41 | 52.1 Ų | 52.1 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 175 | -66.5 | -175.6 | -95 | 166.6 | -2.6 | 111.4 | I1875 H1879 D1910 L2059 C2060 R2061 R2066 L2067 V2068 | I1875-R2064 HydrophobicContact CD1-CG 4.39Å; I1875-R2064 HydrophobicContact CG1-CG 4.36Å; I1875-R2064 HydrophobicContact CG2-CB 4.32Å; H1879-R2064 WeakPolarHBondContact NE2-CB 3.45Å; D1910-R2064 IonicContact OD1-CZ 2.76Å; D1910-R2064 IonicContact OD1-NH1 2.61Å; D1910-R2064 IonicContact OD1-NH2 3.37Å; D1910-R2064 PolarHBondContact OD1-NH2 3.25Å; L2059-R2064 HydrophobicContact CB-CG 3.93Å; L2059-R2064 HydrophobicContact CD1-CG 4.44Å; L2059-R2064 HydrophobicContact CD2-CG 3.89Å; L2059-R2064 HydrophobicContact CG-CG 4.41Å; L2059-R2064 PolarHBondContact O-NE 3.23Å; L2059-R2064 VanDerWaalsContact O-NE 3.11Å; C2060-R2064 PolarHBondContact O-N 3.18Å; C2060-R2064 VanDerWaalsContact O-N 3.16Å; R2061-R2064 WeakPolarHBondContact O-CB 3.3Å; R2061-R2064 PolarHBondContact O-N 3.23Å; R2061-R2064 VanDerWaalsContact O-N 3.11Å; R2064-R2066 VanDerWaalsContact C-N 3.3Å; R2064-R2066 PolarHBondContact O-N 3.16Å; R2064-L2067 PolarHBondContact O-N 3.2Å; R2064-L2067 VanDerWaalsContact O-N 3.07Å; R2064-V2068 WeakPolarHBondContact O-CG2 3.37Å; R2064-V2068 PolarHBondContact O-N 3.03Å |
| 2065 | F | 76.7 | Confident | 74.2 | Confident | 18.8 Ų | 18.8 | 51.6 Ų | 51.6 | 8% | 0.082 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 177.4 | -81.4 | -116.1 | 0 | 0 | 0 | 111.3 | Y1620 F1621 E1624 H1879 Y1882 F1883 R2061 N2062 M2063 L2067 V2068 A2069 | Y1620-F2065 HydrophobicContact CE1-CE1 4.17Å; F1621-F2065 HydrophobicContact CD1-CB 4.43Å; F1621-F2065 AromaticContact CD1-CD1 3.84Å; F1621-F2065 HydrophobicContact CD1-CD1 3.84Å; F1621-F2065 HydrophobicContact CD1-CD2 4.28Å; F1621-F2065 AromaticContact CD1-CE1 3.93Å; F1621-F2065 HydrophobicContact CD1-CE1 4.13Å; F1621-F2065 AromaticContact CD1-CG 3.96Å; F1621-F2065 HydrophobicContact CD1-CG 3.99Å; F1621-F2065 HydrophobicContact CE1-CD1 4.37Å; F1621-F2065 HydrophobicContact CE1-CD2 4.31Å; F1621-F2065 HydrophobicContact CE1-CE1 4.28Å; F1621-F2065 HydrophobicContact CE1-CE2 4.23Å; F1621-F2065 HydrophobicContact CE1-CG 4.42Å; F1621-F2065 HydrophobicContact CE1-CZ 4.29Å; E1624-F2065 WeakPolarHBondContact OE1-CE1 3.36Å; E1624-F2065 WeakPolarHBondContact OE2-CD1 3.38Å; E1624-F2065 WeakPolarHBondContact OE2-CE1 3.21Å; H1879-F2065 AromaticContact CE1-CD2 3.55Å; H1879-F2065 WeakPolarHBondContact CE1-CD2 3.48Å; H1879-F2065 AromaticContact CE1-CE2 3.51Å; H1879-F2065 VanDerWaalsContact CE1-CE2 3.42Å; H1879-F2065 WeakPolarHBondContact CE1-CE2 3.44Å; H1879-F2065 AromaticContact ND1-CE2 3.71Å; H1879-F2065 AromaticContact NE2-CD2 3.63Å; H1879-F2065 AromaticContact NE2-CE2 3.64Å; Y1882-F2065 HydrophobicContact CE1-CZ 4.38Å; F1883-F2065 HydrophobicContact CE1-CZ 4.29Å; F1883-F2065 HydrophobicContact CE2-CZ 4.34Å; F1883-F2065 AromaticContact CZ-CE1 3.94Å; F1883-F2065 HydrophobicContact CZ-CE1 4.1Å; F1883-F2065 HydrophobicContact CZ-CE2 4.29Å; F1883-F2065 AromaticContact CZ-CZ 3.61Å; F1883-F2065 HydrophobicContact CZ-CZ 3.61Å; F1883-F2065 VanDerWaalsContact CZ-CZ 3.49Å; R2061-F2065 HydrophobicContact CG-CD2 3.84Å; R2061-F2065 HydrophobicContact CG-CE2 3.52Å; R2061-F2065 VanDerWaalsContact CG-CE2 3.45Å; R2061-F2065 HydrophobicContact CG-CZ 4.22Å; R2061-F2065 VanDerWaalsContact O-CD2 3.25Å; R2061-F2065 WeakPolarHBondContact O-CD2 3.42Å; R2061-F2065 PolarHBondContact O-N 3.14Å; R2061-F2065 VanDerWaalsContact O-N 3.08Å; N2062-F2065 PolarHBondContact O-N 2.93Å; M2063-F2065 PolarHBondContact O-N 3.31Å; F2065-L2067 VanDerWaalsContact C-N 3.32Å; F2065-L2067 PolarHBondContact O-N 3.1Å; F2065-V2068 PolarHBondContact O-N 3.26Å; F2065-A2069 VanDerWaalsContact O-CB 3.28Å; F2065-A2069 WeakPolarHBondContact O-CB 3.41Å; F2065-A2069 PolarHBondContact O-N 3.1Å |
| 2066 | R | 76.8 | Confident | 74.6 | Confident | 96.2 Ų | 96.2 | 49.7 Ų | 49.7 | 36% | 0.363 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.8 | -42.2 | 175.7 | -159.2 | 179.9 | 91.1 | -160.5 | 7.6 | 112.7 | Y1625 N2062 M2063 R2064 A2069 H2070 | Y1625-R2066 HydrophobicContact CD2-CB 4.1Å; Y1625-R2066 HydrophobicContact CD2-CG 4.29Å; Y1625-R2066 HydrophobicContact CE1-CG 4.08Å; Y1625-R2066 HydrophobicContact CE2-CB 3.76Å; Y1625-R2066 HydrophobicContact CE2-CG 3.64Å; Y1625-R2066 VanDerWaalsContact CZ-CG 3.48Å; Y1625-R2066 WeakPolarHBondContact OH-CD 3.32Å; N2062-R2066 WeakPolarHBondContact O-CB 3.33Å; N2062-R2066 PolarHBondContact O-N 3.16Å; N2062-R2066 VanDerWaalsContact O-N 3.08Å; M2063-R2066 WeakPolarHBondContact O-CB 3.47Å; M2063-R2066 PolarHBondContact O-N 3.19Å; M2063-R2066 PolarHBondContact SD-NH1 2.95Å; M2063-R2066 VanDerWaalsContact SD-NH1 3.4Å; M2063-R2066 PolarHBondContact SD-NH2 3.17Å; M2063-R2066 VanDerWaalsContact SD-NH2 3.38Å; R2064-R2066 VanDerWaalsContact C-N 3.3Å; R2064-R2066 PolarHBondContact O-N 3.16Å; R2066-A2069 PolarHBondContact O-N 3.19Å; R2066-H2070 VanDerWaalsContact O-CB 3.31Å; R2066-H2070 WeakPolarHBondContact O-CB 3.49Å; R2066-H2070 PolarHBondContact O-CD2 3.32Å; R2066-H2070 PolarHBondContact O-N 3.09Å |
| 2067 | L | 79.7 | Confident | 75 | Confident | 17.2 Ų | 17.2 | 51.1 Ų | 51.1 | 9% | 0.09 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65 | -42.9 | 178.4 | -71.2 | 168.5 | 0 | 0 | 0 | 111.5 | I1875 F2050 T2054 L2059 M2063 R2064 F2065 H2070 A2071 | I1875-L2067 HydrophobicContact CD1-CB 4.43Å; I1875-L2067 HydrophobicContact CD1-CD1 3.74Å; F2050-L2067 HydrophobicContact CD2-CD2 3.67Å; F2050-L2067 HydrophobicContact CE1-CD2 4.49Å; F2050-L2067 HydrophobicContact CE2-CB 4.38Å; F2050-L2067 HydrophobicContact CE2-CD2 3.4Å; F2050-L2067 VanDerWaalsContact CE2-CD2 3.42Å; F2050-L2067 HydrophobicContact CE2-CG 4.46Å; F2050-L2067 HydrophobicContact CG-CD2 4.38Å; F2050-L2067 HydrophobicContact CZ-CB 4.27Å; F2050-L2067 HydrophobicContact CZ-CD2 3.9Å; F2050-L2067 WeakPolarHBondContact CZ-O 3.21Å; T2054-L2067 HydrophobicContact CG2-CB 4.28Å; T2054-L2067 HydrophobicContact CG2-CD1 3.92Å; T2054-L2067 HydrophobicContact CG2-CD2 4.15Å; T2054-L2067 HydrophobicContact CG2-CG 4.35Å; L2059-L2067 HydrophobicContact CD1-CD1 4.38Å; L2059-L2067 HydrophobicContact CD2-CD1 3.57Å; L2059-L2067 VanDerWaalsContact CD2-CD1 3.41Å; L2059-L2067 HydrophobicContact CD2-CG 4.49Å; M2063-L2067 WeakPolarHBondContact O-CB 3.39Å; M2063-L2067 VanDerWaalsContact O-CG 3.3Å; M2063-L2067 WeakPolarHBondContact O-CG 3.32Å; M2063-L2067 PolarHBondContact O-N 3.41Å; R2064-L2067 PolarHBondContact O-N 3.2Å; R2064-L2067 VanDerWaalsContact O-N 3.07Å; F2065-L2067 VanDerWaalsContact C-N 3.32Å; F2065-L2067 PolarHBondContact O-N 3.1Å; L2067-H2070 PolarHBondContact O-N 3.11Å; L2067-A2071 WeakPolarHBondContact O-CB 3.39Å; L2067-A2071 PolarHBondContact O-N 3.02Å |
| 2068 | V | 80.2 | Confident | 75.7 | Confident | 18.2 Ų | 18.2 | 48.5 Ų | 48.5 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.4 | -44.3 | 175.3 | 179.3 | 0 | 0 | 0 | 0 | 111.3 | F1621 I1765 L1870 I1875 H1879 R2064 F2065 H2070 A2071 H2072 | F1621-V2068 HydrophobicContact CB-CB 4.18Å; F1621-V2068 HydrophobicContact CB-CG1 3.93Å; F1621-V2068 HydrophobicContact CD1-CB 4.13Å; F1621-V2068 HydrophobicContact CD1-CG1 4.11Å; F1621-V2068 HydrophobicContact CD1-CG2 4.49Å; F1621-V2068 HydrophobicContact CD2-CB 4.31Å; F1621-V2068 HydrophobicContact CD2-CG1 3.42Å; F1621-V2068 VanDerWaalsContact CD2-CG1 3.45Å; F1621-V2068 HydrophobicContact CE1-CB 4.48Å; F1621-V2068 HydrophobicContact CE1-CG1 4.36Å; F1621-V2068 HydrophobicContact CE2-CG1 3.85Å; F1621-V2068 HydrophobicContact CG-CB 3.95Å; F1621-V2068 HydrophobicContact CG-CG1 3.54Å; F1621-V2068 HydrophobicContact CZ-CG1 4.25Å; I1765-V2068 HydrophobicContact CD1-CG1 4.34Å; L1870-V2068 HydrophobicContact CD1-CG2 4.12Å; L1870-V2068 HydrophobicContact CD2-CB 4.45Å; L1870-V2068 HydrophobicContact CD2-CG1 4.45Å; L1870-V2068 HydrophobicContact CD2-CG2 4.15Å; I1875-V2068 HydrophobicContact CG2-CG2 3.64Å; H1879-V2068 VanDerWaalsContact CE1-CG2 3.43Å; H1879-V2068 WeakPolarHBondContact CE1-CG2 3.3Å; R2064-V2068 WeakPolarHBondContact O-CG2 3.37Å; R2064-V2068 PolarHBondContact O-N 3.03Å; F2065-V2068 PolarHBondContact O-N 3.26Å; V2068-H2070 VanDerWaalsContact C-N 3.32Å; V2068-H2070 PolarHBondContact O-N 3.23Å; V2068-A2071 PolarHBondContact O-N 3.06Å; V2068-A2071 VanDerWaalsContact O-N 3.14Å; V2068-H2072 WeakPolarHBondContact O-CB 3.28Å; V2068-H2072 PolarHBondContact O-N 3.26Å |
| 2069 | A | 78.2 | Confident | 76.1 | Confident | 6.6 Ų | 6.6 | 41.2 Ų | 41.2 | 6% | 0.055 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.1 | -42.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | F1621 Y1625 Y1626 F2065 R2066 A2071 H2072 I2073 | F1621-A2069 HydrophobicContact CB-CB 4.42Å; F1621-A2069 WeakPolarHBondContact O-CB 3.48Å; Y1625-A2069 HydrophobicContact CD1-CB 4.46Å; Y1625-A2069 HydrophobicContact CG-CB 4.42Å; Y1626-A2069 HydrophobicContact CE2-CB 4.32Å; F2065-A2069 VanDerWaalsContact O-CB 3.28Å; F2065-A2069 WeakPolarHBondContact O-CB 3.41Å; F2065-A2069 PolarHBondContact O-N 3.1Å; R2066-A2069 PolarHBondContact O-N 3.19Å; A2069-A2071 PolarHBondContact O-N 3.04Å; A2069-H2072 PolarHBondContact O-N 3.2Å; A2069-I2073 WeakPolarHBondContact O-CG1 3.38Å; A2069-I2073 PolarHBondContact O-N 3.22Å; A2069-I2073 VanDerWaalsContact O-N 3.09Å |
| 2070 | H | 78 | Confident | 76.1 | Confident | 63 Ų | 63 | 41.3 Ų | 41.3 | 29% | 0.292 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.6 | -40 | 175.1 | -97.1 | -62.6 | 0 | 0 | 0 | 112.9 | Y1626 F2050 R2066 L2067 V2068 H2072 S2074 | Y1626-H2070 PolarHBondContact OH-CE1 3.23Å; Y1626-H2070 VanDerWaalsContact OH-CE1 3.25Å; F2050-H2070 HydrophobicContact CE2-CB 3.88Å; F2050-H2070 HydrophobicContact CZ-CB 4.43Å; R2066-H2070 VanDerWaalsContact O-CB 3.31Å; R2066-H2070 WeakPolarHBondContact O-CB 3.49Å; R2066-H2070 PolarHBondContact O-CD2 3.32Å; R2066-H2070 PolarHBondContact O-N 3.09Å; L2067-H2070 PolarHBondContact O-N 3.11Å; V2068-H2070 VanDerWaalsContact C-N 3.32Å; V2068-H2070 PolarHBondContact O-N 3.23Å; H2070-H2072 VanDerWaalsContact C-N 3.33Å; H2070-S2074 PolarHBondContact ND1-OG 3.47Å; H2070-S2074 VanDerWaalsContact O-CB 3.28Å; H2070-S2074 WeakPolarHBondContact O-CB 3.42Å; H2070-S2074 PolarHBondContact O-N 3.1Å; H2070-S2074 PolarHBondContact O-OG 3.25Å |
| 2071 | A | 80.4 | Confident | 76 | Confident | 8.2 Ų | 8.2 | 40.6 Ų | 40.6 | 7% | 0.068 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.5 | -37.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1765 L1870 F2050 L2067 V2068 A2069 S2074 A2075 | I1765-A2071 HydrophobicContact CD1-CB 4.01Å; L1870-A2071 HydrophobicContact CB-CB 4.03Å; L1870-A2071 HydrophobicContact CD2-CB 3.32Å; L1870-A2071 HydrophobicContact CG-CB 4.24Å; F2050-A2071 HydrophobicContact CZ-CB 4.43Å; L2067-A2071 WeakPolarHBondContact O-CB 3.39Å; L2067-A2071 PolarHBondContact O-N 3.02Å; V2068-A2071 PolarHBondContact O-N 3.06Å; V2068-A2071 VanDerWaalsContact O-N 3.14Å; A2069-A2071 PolarHBondContact O-N 3.04Å; A2071-S2074 CarbonylContact O-C 3.41Å; A2071-S2074 WeakPolarHBondContact O-CB 3.3Å; A2071-S2074 PolarHBondContact O-N 3.19Å; A2071-S2074 VanDerWaalsContact O-N 3.15Å; A2071-A2075 WeakPolarHBondContact O-CB 3.33Å; A2071-A2075 PolarHBondContact O-N 3.17Å |
| 2072 | H | 80 | Confident | 75.9 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 3% | 0.032 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.9 | -52 | 175.4 | 178.6 | 73.5 | 0 | 0 | 0 | 111.1 | S1618 S1619 Y1622 F1761 I1765 Y1832 V2068 A2069 H2070 S2074 A2075 V2076 | S1618-H2072 WeakPolarHBondContact CB-ND1 3.3Å; S1618-H2072 PolarHBondContact OG-ND1 2.91Å; S1619-H2072 VanDerWaalsContact CA-CE1 3.48Å; S1619-H2072 WeakPolarHBondContact CA-CE1 3.28Å; Y1622-H2072 VanDerWaalsContact CB-CD2 3.49Å; Y1622-H2072 WeakPolarHBondContact CB-CD2 3.29Å; Y1622-H2072 AromaticContact CG-CD2 3.91Å; F1761-H2072 PolarHBondContact O-CE1 2.98Å; F1761-H2072 VanDerWaalsContact O-CE1 3.27Å; I1765-H2072 HydrophobicContact CD1-CB 4.24Å; Y1832-H2072 AromaticContact CE1-NE2 3.26Å; Y1832-H2072 VanDerWaalsContact CE1-NE2 3.27Å; Y1832-H2072 WeakPolarHBondContact CE1-NE2 3.29Å; Y1832-H2072 AromaticContact CZ-NE2 3.42Å; Y1832-H2072 PolarHBondContact OH-CE1 3.08Å; Y1832-H2072 PolarHBondContact OH-NE2 3.32Å; Y1832-H2072 VanDerWaalsContact OH-NE2 3.13Å; V2068-H2072 WeakPolarHBondContact O-CB 3.28Å; V2068-H2072 PolarHBondContact O-N 3.26Å; A2069-H2072 PolarHBondContact O-N 3.2Å; H2070-H2072 VanDerWaalsContact C-N 3.33Å; H2072-S2074 VanDerWaalsContact C-N 3.28Å; H2072-S2074 PolarHBondContact O-N 3.33Å; H2072-A2075 WeakPolarHBondContact O-CB 3.31Å; H2072-A2075 PolarHBondContact O-N 3.08Å; H2072-A2075 VanDerWaalsContact O-N 3.11Å; H2072-V2076 WeakPolarHBondContact O-CB 3.33Å; H2072-V2076 VanDerWaalsContact O-CG2 3.3Å; H2072-V2076 WeakPolarHBondContact O-CG2 3.34Å; H2072-V2076 PolarHBondContact O-N 3.13Å |
| 2073 | I | 76.9 | Confident | 75.6 | Confident | 64.2 Ų | 64.2 | 35.3 Ų | 35.3 | 33% | 0.329 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -57.4 | -41.5 | 175.1 | -65.8 | 165.1 | 0 | 0 | 0 | 110.7 | Y1622 Y1626 A2069 A2075 V2076 Y2077 | Y1622-I2073 HydrophobicContact CD2-CD1 3.66Å; Y1622-I2073 HydrophobicContact CD2-CG1 3.48Å; Y1622-I2073 VanDerWaalsContact CD2-CG1 3.45Å; Y1622-I2073 HydrophobicContact CE2-CD1 3.65Å; Y1622-I2073 HydrophobicContact CE2-CG1 3.61Å; Y1626-I2073 HydrophobicContact CD2-CD1 4.12Å; Y1626-I2073 HydrophobicContact CE2-CD1 3.32Å; Y1626-I2073 WeakPolarHBondContact OH-CD1 3.38Å; A2069-I2073 WeakPolarHBondContact O-CG1 3.38Å; A2069-I2073 PolarHBondContact O-N 3.22Å; A2069-I2073 VanDerWaalsContact O-N 3.09Å; I2073-A2075 VanDerWaalsContact C-N 3.3Å; I2073-A2075 PolarHBondContact O-N 3.13Å; I2073-V2076 PolarHBondContact O-N 3.24Å; I2073-Y2077 HydrophobicContact CG2-CD2 3.66Å; I2073-Y2077 HydrophobicContact CG2-CE2 3.79Å; I2073-Y2077 VanDerWaalsContact O-CB 3.3Å; I2073-Y2077 WeakPolarHBondContact O-CB 3.32Å; I2073-Y2077 WeakPolarHBondContact O-CD2 3.2Å; I2073-Y2077 PolarHBondContact O-N 3.18Å |
| 2074 | S | 78.2 | Confident | 75.4 | Confident | 10.2 Ų | 10.2 | 34.4 Ų | 34.4 | 7% | 0.071 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63 | -42.3 | 177.4 | -66.2 | 0 | 0 | 0 | 0 | 111.8 | C1863 R1866 H2070 A2071 H2072 Y2077 L2078 | C1863-S2074 WeakPolarHBondContact CA-OG 3.46Å; C1863-S2074 PolarHBondContact SG-OG 3.18Å; C1863-S2074 VanDerWaalsContact SG-OG 3.36Å; R1866-S2074 WeakPolarHBondContact CD-OG 3.33Å; H2070-S2074 PolarHBondContact ND1-OG 3.47Å; H2070-S2074 VanDerWaalsContact O-CB 3.28Å; H2070-S2074 WeakPolarHBondContact O-CB 3.42Å; H2070-S2074 PolarHBondContact O-N 3.1Å; H2070-S2074 PolarHBondContact O-OG 3.25Å; A2071-S2074 CarbonylContact O-C 3.41Å; A2071-S2074 WeakPolarHBondContact O-CB 3.3Å; A2071-S2074 PolarHBondContact O-N 3.19Å; A2071-S2074 VanDerWaalsContact O-N 3.15Å; H2072-S2074 VanDerWaalsContact C-N 3.28Å; H2072-S2074 PolarHBondContact O-N 3.33Å; S2074-Y2077 PolarHBondContact O-N 3.13Å; S2074-L2078 WeakPolarHBondContact O-CB 3.31Å; S2074-L2078 WeakPolarHBondContact O-CD1 3.27Å; S2074-L2078 VanDerWaalsContact O-CG 3.24Å; S2074-L2078 WeakPolarHBondContact O-CG 3.31Å; S2074-L2078 PolarHBondContact O-N 3Å |
| 2075 | A | 80.3 | Confident | 75.5 | Confident | 4.8 Ų | 4.8 | 33 Ų | 33 | 4% | 0.04 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65 | -42.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P1764 I1765 L1867 A2071 H2072 I2073 Y2077 L2078 L2079 | P1764-A2075 HydrophobicContact CB-CB 3.95Å; P1764-A2075 HydrophobicContact CG-CB 3.86Å; I1765-A2075 HydrophobicContact CG1-CB 4.21Å; L1867-A2075 HydrophobicContact CD1-CB 4.11Å; L1867-A2075 HydrophobicContact CD2-CB 4.02Å; A2071-A2075 WeakPolarHBondContact O-CB 3.33Å; A2071-A2075 PolarHBondContact O-N 3.17Å; H2072-A2075 WeakPolarHBondContact O-CB 3.31Å; H2072-A2075 PolarHBondContact O-N 3.08Å; H2072-A2075 VanDerWaalsContact O-N 3.11Å; I2073-A2075 VanDerWaalsContact C-N 3.3Å; I2073-A2075 PolarHBondContact O-N 3.13Å; A2075-Y2077 PolarHBondContact O-N 3.37Å; A2075-L2078 WeakPolarHBondContact O-CB 3.16Å; A2075-L2078 PolarHBondContact O-N 3.21Å; A2075-L2078 VanDerWaalsContact O-N 3.17Å; A2075-L2079 WeakPolarHBondContact O-CB 3.11Å; A2075-L2079 PolarHBondContact O-N 3.25Å; A2075-L2079 VanDerWaalsContact O-N 3.11Å |
| 2076 | V | 78 | Confident | 75.4 | Confident | 13.4 Ų | 13.4 | 32.4 Ų | 32.4 | 8% | 0.081 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 175.9 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | P1764 Y1832 L1834 H2072 I2073 L2078 L2079 G2080 | P1764-V2076 HydrophobicContact CG-CG2 4.02Å; Y1832-V2076 HydrophobicContact CD1-CG1 4.18Å; Y1832-V2076 HydrophobicContact CD1-CG2 4.46Å; Y1832-V2076 HydrophobicContact CD2-CG1 4.03Å; Y1832-V2076 HydrophobicContact CD2-CG2 4.4Å; Y1832-V2076 HydrophobicContact CE1-CG2 4.44Å; Y1832-V2076 HydrophobicContact CE2-CG2 4.44Å; Y1832-V2076 HydrophobicContact CG-CG1 3.66Å; Y1832-V2076 HydrophobicContact CG-CG2 4.45Å; L1834-V2076 HydrophobicContact CD1-CG1 3.35Å; L1834-V2076 VanDerWaalsContact CD1-CG1 3.43Å; L1834-V2076 HydrophobicContact CD2-CG1 4.28Å; L1834-V2076 VanDerWaalsContact CD2-O 3.27Å; L1834-V2076 WeakPolarHBondContact CD2-O 3.44Å; L1834-V2076 HydrophobicContact CG-CG1 4.06Å; H2072-V2076 WeakPolarHBondContact O-CB 3.33Å; H2072-V2076 VanDerWaalsContact O-CG2 3.3Å; H2072-V2076 WeakPolarHBondContact O-CG2 3.34Å; H2072-V2076 PolarHBondContact O-N 3.13Å; I2073-V2076 PolarHBondContact O-N 3.24Å; V2076-L2078 VanDerWaalsContact C-N 3.32Å; V2076-L2078 PolarHBondContact O-N 3.22Å; V2076-L2079 VanDerWaalsContact O-CB 3.27Å; V2076-L2079 WeakPolarHBondContact O-CB 3.41Å; V2076-L2079 PolarHBondContact O-N 3.11Å; V2076-L2079 VanDerWaalsContact O-N 3.15Å; V2076-G2080 PolarHBondContact O-N 2.57Å |
| 2077 | Y | 75.2 | Confident | 75.3 | Confident | 96.2 Ų | 96.2 | 30.7 Ų | 30.7 | 38% | 0.377 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.7 | -42.1 | 174.3 | -170.5 | -93.7 | 0 | 0 | 0 | 112.1 | K1859 T1860 C1863 I2073 S2074 A2075 L2079 G2080 A2081 | K1859-Y2077 HydrophobicContact CB-CE1 4.48Å; T1860-Y2077 HydrophobicContact CG2-CE1 3.96Å; C1863-Y2077 HydrophobicContact CB-CD1 4.12Å; I2073-Y2077 HydrophobicContact CG2-CD2 3.66Å; I2073-Y2077 HydrophobicContact CG2-CE2 3.79Å; I2073-Y2077 VanDerWaalsContact O-CB 3.3Å; I2073-Y2077 WeakPolarHBondContact O-CB 3.32Å; I2073-Y2077 WeakPolarHBondContact O-CD2 3.2Å; I2073-Y2077 PolarHBondContact O-N 3.18Å; S2074-Y2077 PolarHBondContact O-N 3.13Å; A2075-Y2077 PolarHBondContact O-N 3.37Å; Y2077-L2079 VanDerWaalsContact C-N 3.28Å; Y2077-L2079 PolarHBondContact O-N 3.19Å; Y2077-G2080 PolarHBondContact O-N 3.29Å; Y2077-G2080 VanDerWaalsContact O-N 3.14Å; Y2077-A2081 HydrophobicContact CD1-CB 4.43Å; Y2077-A2081 HydrophobicContact CE1-CB 4.15Å; Y2077-A2081 PolarHBondContact O-N 2.91Å |
| 2078 | L | 76 | Confident | 75.3 | Confident | 23.2 Ų | 23.2 | 30.5 Ų | 30.5 | 12% | 0.121 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.5 | -30.4 | 178.1 | -72 | 168.8 | 0 | 0 | 0 | 112.9 | C1863 Q1864 L1867 W1939 S2074 A2075 V2076 G2080 A2081 H2082 | C1863-L2078 HydrophobicContact CB-CD1 4.11Å; C1863-L2078 HydrophobicContact CB-CD2 4.01Å; C1863-L2078 HydrophobicContact CB-CG 3.91Å; Q1864-L2078 HydrophobicContact CB-CD1 4.34Å; Q1864-L2078 HydrophobicContact CG-CD1 3.92Å; Q1864-L2078 HydrophobicContact CG-CD2 3.7Å; Q1864-L2078 HydrophobicContact CG-CG 4.21Å; L1867-L2078 HydrophobicContact CD2-CD1 4.09Å; W1939-L2078 HydrophobicContact CH2-CD1 4.35Å; W1939-L2078 HydrophobicContact CZ2-CD1 3.69Å; S2074-L2078 WeakPolarHBondContact O-CB 3.31Å; S2074-L2078 WeakPolarHBondContact O-CD1 3.27Å; S2074-L2078 VanDerWaalsContact O-CG 3.24Å; S2074-L2078 WeakPolarHBondContact O-CG 3.31Å; S2074-L2078 PolarHBondContact O-N 3Å; A2075-L2078 WeakPolarHBondContact O-CB 3.16Å; A2075-L2078 PolarHBondContact O-N 3.21Å; A2075-L2078 VanDerWaalsContact O-N 3.17Å; V2076-L2078 VanDerWaalsContact C-N 3.32Å; V2076-L2078 PolarHBondContact O-N 3.22Å; L2078-G2080 VanDerWaalsContact C-N 3.3Å; L2078-G2080 PolarHBondContact O-N 3.07Å; L2078-A2081 PolarHBondContact O-N 3.22Å; L2078-H2082 WeakPolarHBondContact O-CB 3.41Å; L2078-H2082 PolarHBondContact O-CD2 3.01Å; L2078-H2082 PolarHBondContact O-N 2.94Å; L2078-H2082 VanDerWaalsContact O-N 3.08Å |
| 2079 | L | 74.7 | Confident | 75.1 | Confident | 18.8 Ų | 18.8 | 32.4 Ų | 32.4 | 10% | 0.098 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.5 | -40 | 173.3 | -99.5 | 134.7 | 0 | 0 | 0 | 111.6 | T1760 F1761 P1764 A1771 A2075 V2076 Y2077 A2081 H2082 L2085 | T1760-L2079 HydrophobicContact CG2-CD1 4.11Å; T1760-L2079 HydrophobicContact CG2-CD2 3.9Å; T1760-L2079 HydrophobicContact CG2-CG 4.44Å; T1760-L2079 VanDerWaalsContact O-CD1 3.29Å; T1760-L2079 WeakPolarHBondContact O-CD1 3.34Å; F1761-L2079 HydrophobicContact CD1-CD1 4.42Å; F1761-L2079 HydrophobicContact CD1-CD2 4.24Å; F1761-L2079 HydrophobicContact CE1-CD2 4.1Å; P1764-L2079 HydrophobicContact CB-CD1 4.27Å; A1771-L2079 HydrophobicContact CB-CD1 3.54Å; A1771-L2079 HydrophobicContact CB-CD2 3.7Å; A2075-L2079 WeakPolarHBondContact O-CB 3.11Å; A2075-L2079 PolarHBondContact O-N 3.25Å; A2075-L2079 VanDerWaalsContact O-N 3.11Å; V2076-L2079 VanDerWaalsContact O-CB 3.27Å; V2076-L2079 WeakPolarHBondContact O-CB 3.41Å; V2076-L2079 PolarHBondContact O-N 3.11Å; V2076-L2079 VanDerWaalsContact O-N 3.15Å; Y2077-L2079 VanDerWaalsContact C-N 3.28Å; Y2077-L2079 PolarHBondContact O-N 3.19Å; L2079-A2081 VanDerWaalsContact C-N 3.29Å; L2079-A2081 PolarHBondContact O-N 3.49Å; L2079-H2082 PolarHBondContact O-N 3.38Å; L2079-L2085 HydrophobicContact CB-CD1 3.96Å; L2079-L2085 HydrophobicContact CB-CG 4.26Å; L2079-L2085 HydrophobicContact CD1-CD1 4.39Å; L2079-L2085 HydrophobicContact CD1-CD2 3.92Å; L2079-L2085 HydrophobicContact CD1-CG 3.83Å; L2079-L2085 HydrophobicContact CD2-CD1 3.76Å; L2079-L2085 HydrophobicContact CD2-CD2 4.23Å; L2079-L2085 HydrophobicContact CD2-CG 4.07Å; L2079-L2085 HydrophobicContact CG-CD1 3.64Å; L2079-L2085 HydrophobicContact CG-CD2 4.03Å; L2079-L2085 HydrophobicContact CG-CG 3.64Å |
| 2080 | G | 67.2 | Low | 75.1 | Confident | 20.8 Ų | 20.8 | 36 Ų | 36 | 21% | 0.214 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -74.5 | -41.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | V2076 Y2077 L2078 H2082 A2083 | V2076-G2080 PolarHBondContact O-N 2.57Å; Y2077-G2080 PolarHBondContact O-N 3.29Å; Y2077-G2080 VanDerWaalsContact O-N 3.14Å; L2078-G2080 VanDerWaalsContact C-N 3.3Å; L2078-G2080 PolarHBondContact O-N 3.07Å; G2080-H2082 VanDerWaalsContact C-N 3.32Å; G2080-H2082 PolarHBondContact O-N 3.08Å; G2080-A2083 PolarHBondContact O-N 2.97Å |
| 2081 | A | 68.7 | Low | 75.2 | Confident | 54.2 Ų | 54.2 | 33.5 Ų | 33.5 | 45% | 0.448 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68.3 | -30.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1860 Y2077 L2078 L2079 | T1860-A2081 HydrophobicContact CG2-CB 3.76Å; Y2077-A2081 HydrophobicContact CD1-CB 4.43Å; Y2077-A2081 HydrophobicContact CE1-CB 4.15Å; Y2077-A2081 PolarHBondContact O-N 2.91Å; L2078-A2081 PolarHBondContact O-N 3.22Å; L2079-A2081 VanDerWaalsContact C-N 3.29Å; L2079-A2081 PolarHBondContact O-N 3.49Å |
| 2082 | H | 67 | Low | 75.3 | Confident | 47 Ų | 47 | 33.8 Ų | 33.8 | 22% | 0.218 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 17.4 | -177.4 | -75.3 | -54.9 | 0 | 0 | 0 | 114.1 | Q1864 W1939 N1942 L2078 L2079 G2080 V2084 | Q1864-H2082 PolarHBondContact NE2-CE1 3.08Å; Q1864-H2082 VanDerWaalsContact NE2-CE1 3.29Å; Q1864-H2082 PolarHBondContact NE2-NE2 2.87Å; W1939-H2082 AromaticContact CD1-CD2 3.57Å; W1939-H2082 AromaticContact CD1-CE1 3.96Å; W1939-H2082 AromaticContact CD1-NE2 3.41Å; W1939-H2082 AromaticContact NE1-CD2 3.6Å; W1939-H2082 AromaticContact NE1-NE2 3.62Å; N1942-H2082 PolarHBondContact ND2-CD2 3.22Å; N1942-H2082 PolarHBondContact ND2-ND1 3.33Å; L2078-H2082 WeakPolarHBondContact O-CB 3.41Å; L2078-H2082 PolarHBondContact O-CD2 3.01Å; L2078-H2082 PolarHBondContact O-N 2.94Å; L2078-H2082 VanDerWaalsContact O-N 3.08Å; L2079-H2082 PolarHBondContact O-N 3.38Å; G2080-H2082 VanDerWaalsContact C-N 3.32Å; G2080-H2082 PolarHBondContact O-N 3.08Å; H2082-V2084 HydrophobicContact CB-CG2 3.63Å; H2082-V2084 PolarHBondContact O-N 3.24Å; H2082-V2084 VanDerWaalsContact O-N 3.1Å |
| 2083 | A | 66 | Low | 75.4 | Confident | 60 Ų | 60 | 33.8 Ų | 33.8 | 50% | 0.496 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 33.1 | 27.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P1837 G2080 | P1837-A2083 HydrophobicContact CG-CB 4.34Å; G2080-A2083 PolarHBondContact O-N 2.97Å |
| 2084 | V | 70 | Confident | 75.7 | Confident | 33.6 Ų | 33.6 | 32.8 Ų | 32.8 | 20% | 0.204 | 19% | 0.192 | C | C | . | . | trans | -85.9 | -22.9 | 179.5 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | A1771 I1772 N1775 H2082 P2086 | A1771-V2084 HydrophobicContact CB-CG1 3.77Å; I1772-V2084 HydrophobicContact CD1-CG1 3.53Å; I1772-V2084 HydrophobicContact CG1-CG1 4.3Å; N1775-V2084 VanDerWaalsContact CB-O 3.3Å; N1775-V2084 WeakPolarHBondContact CB-O 3.22Å; H2082-V2084 HydrophobicContact CB-CG2 3.63Å; H2082-V2084 PolarHBondContact O-N 3.24Å; H2082-V2084 VanDerWaalsContact O-N 3.1Å; V2084-P2086 WeakPolarHBondContact O-CD 3.43Å | ||
| 2085 | L | 76.7 | Confident | 76 | Confident | 10.8 Ų | 10.8 | 32.3 Ų | 32.3 | 6% | 0.057 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -65.9 | 142.5 | 175.1 | -72.2 | 171.2 | 0 | 0 | 0 | 111.1 | T1760 F1761 A1771 L1774 L1825 L1836 L2079 N2087 F2088 | T1760-L2085 HydrophobicContact CG2-CD2 3.63Å; F1761-L2085 HydrophobicContact CE1-CD1 4.29Å; F1761-L2085 HydrophobicContact CZ-CD1 4.22Å; A1771-L2085 HydrophobicContact CB-CD2 4.39Å; L1774-L2085 HydrophobicContact CD1-CD2 4.47Å; L1825-L2085 HydrophobicContact CD2-CD2 3.98Å; L1836-L2085 HydrophobicContact CD1-CD1 4.49Å; L2079-L2085 HydrophobicContact CB-CD1 3.96Å; L2079-L2085 HydrophobicContact CB-CG 4.26Å; L2079-L2085 HydrophobicContact CD1-CD1 4.39Å; L2079-L2085 HydrophobicContact CD1-CD2 3.92Å; L2079-L2085 HydrophobicContact CD1-CG 3.83Å; L2079-L2085 HydrophobicContact CD2-CD1 3.76Å; L2079-L2085 HydrophobicContact CD2-CD2 4.23Å; L2079-L2085 HydrophobicContact CD2-CG 4.07Å; L2079-L2085 HydrophobicContact CG-CD1 3.64Å; L2079-L2085 HydrophobicContact CG-CD2 4.03Å; L2079-L2085 HydrophobicContact CG-CG 3.64Å; L2085-N2087 PolarHBondContact O-N 3.16Å; L2085-F2088 HydrophobicContact CB-CB 4.42Å; L2085-F2088 PolarHBondContact O-N 2.71Å |
| 2086 | P | 75.8 | Confident | 76.4 | Confident | 7.2 Ų | 7.2 | 32.2 Ų | 32.2 | 5% | 0.047 | 19% | 0.188 | C | C | . | . | trans | -55.1 | 134.2 | 174.4 | -21.3 | 30.3 | 0 | 0 | 0 | 111.5 | L1774 L1821 L1825 V2084 F2088 L2091 | L1774-P2086 HydrophobicContact CB-CG 4.37Å; L1774-P2086 WeakPolarHBondContact O-CG 3.24Å; L1821-P2086 HydrophobicContact CD2-CB 4.48Å; L1821-P2086 HydrophobicContact CD2-CG 4.26Å; L1825-P2086 HydrophobicContact CD1-CB 3.9Å; L1825-P2086 HydrophobicContact CD1-CG 3.92Å; V2084-P2086 WeakPolarHBondContact O-CD 3.43Å; P2086-F2088 PolarHBondContact O-N 3.01Å; P2086-F2088 VanDerWaalsContact O-N 3.1Å; P2086-L2091 HydrophobicContact CB-CD1 3.56Å; P2086-L2091 HydrophobicContact CB-CG 4.37Å; P2086-L2091 HydrophobicContact CG-CD1 4.47Å | ||
| 2087 | N | 75.2 | Confident | 76.7 | Confident | 59.8 Ų | 59.8 | 37.7 Ų | 37.7 | 32% | 0.32 | 21% | 0.211 | S | C | . | . | trans | -58.2 | 97.8 | 176.4 | -160.6 | -26.8 | 0 | 0 | 0 | 111.6 | P1837 L2085 D2089 V2090 L2091 | P1837-N2087 PolarHBondContact O-ND2 3.08Å; P1837-N2087 PolarHBondContact O-OD1 3.13Å; L2085-N2087 PolarHBondContact O-N 3.16Å; N2087-D2089 VanDerWaalsContact C-N 3.3Å; N2087-D2089 PolarHBondContact O-N 3.2Å; N2087-D2089 WeakPolarHBondContact OD1-CB 3.34Å; N2087-D2089 PolarHBondContact OD1-N 3.16Å; N2087-V2090 HydrophobicContact CB-CB 4.19Å; N2087-V2090 HydrophobicContact CB-CG2 3.99Å; N2087-V2090 WeakPolarHBondContact O-CB 3.42Å; N2087-V2090 PolarHBondContact O-N 3.25Å; N2087-V2090 VanDerWaalsContact O-N 3.14Å; N2087-V2090 PolarHBondContact OD1-N 3.33Å; N2087-L2091 WeakPolarHBondContact O-CG 3.42Å; N2087-L2091 PolarHBondContact O-N 3.23Å; N2087-L2091 VanDerWaalsContact O-N 3.11Å | ||
| 2088 | F | 77.9 | Confident | 77.3 | Confident | 14 Ų | 14 | 33.5 Ų | 33.5 | 6% | 0.061 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54.4 | -44.3 | 178.5 | 172.6 | -85.7 | 0 | 0 | 0 | 112.1 | I1822 K1826 L1836 L2085 P2086 V2090 L2091 Y2092 L2124 | I1822-F2088 HydrophobicContact CG2-CD2 3.83Å; I1822-F2088 HydrophobicContact CG2-CE2 3.34Å; I1822-F2088 HydrophobicContact CG2-CZ 4.16Å; K1826-F2088 HydrophobicContact CB-CE2 4.32Å; K1826-F2088 HydrophobicContact CD-CD2 4.38Å; K1826-F2088 HydrophobicContact CD-CE2 3.86Å; K1826-F2088 HydrophobicContact CD-CZ 4.19Å; K1826-F2088 HydrophobicContact CG-CE2 4.47Å; L1836-F2088 HydrophobicContact CD2-CB 3.6Å; L1836-F2088 HydrophobicContact CD2-CG 4.29Å; L2085-F2088 HydrophobicContact CB-CB 4.42Å; L2085-F2088 PolarHBondContact O-N 2.71Å; P2086-F2088 PolarHBondContact O-N 3.01Å; P2086-F2088 VanDerWaalsContact O-N 3.1Å; F2088-V2090 VanDerWaalsContact C-N 3.29Å; F2088-V2090 PolarHBondContact O-N 3.25Å; F2088-L2091 PolarHBondContact O-N 3.26Å; F2088-Y2092 HydrophobicContact CE1-CD1 4.44Å; F2088-Y2092 HydrophobicContact CE1-CG 4.12Å; F2088-Y2092 HydrophobicContact CZ-CD2 4.27Å; F2088-Y2092 HydrophobicContact CZ-CG 4.23Å; F2088-Y2092 WeakPolarHBondContact O-CB 3.34Å; F2088-Y2092 PolarHBondContact O-N 3.25Å; F2088-L2124 HydrophobicContact CE1-CD2 4.04Å; F2088-L2124 HydrophobicContact CZ-CD1 3.91Å; F2088-L2124 HydrophobicContact CZ-CD2 4.12Å |
| 2089 | D | 75.9 | Confident | 77.9 | Confident | 57.4 Ų | 57.4 | 32.4 Ų | 32.4 | 31% | 0.307 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.6 | -38 | -177.3 | -64.1 | -23.6 | 0 | 0 | 0 | 111.5 | S1838 S1839 N2087 G2093 F2143 | S1838-D2089 VanDerWaalsContact CA-OD2 3.23Å; S1838-D2089 WeakPolarHBondContact CA-OD2 3.4Å; S1838-D2089 WeakPolarHBondContact CB-OD2 3.27Å; S1839-D2089 WeakPolarHBondContact CB-OD2 3.5Å; S1839-D2089 PolarHBondContact N-OD2 3.16Å; S1839-D2089 PolarHBondContact OG-OD2 3.15Å; N2087-D2089 VanDerWaalsContact C-N 3.3Å; N2087-D2089 PolarHBondContact O-N 3.2Å; N2087-D2089 WeakPolarHBondContact OD1-CB 3.34Å; N2087-D2089 PolarHBondContact OD1-N 3.16Å; D2089-G2093 WeakPolarHBondContact O-CA 3.29Å; D2089-G2093 PolarHBondContact O-N 3.13Å; D2089-F2143 HydrophobicContact CB-CZ 3.92Å; D2089-F2143 VanDerWaalsContact O-CE1 3.24Å; D2089-F2143 WeakPolarHBondContact O-CE1 3.41Å; D2089-F2143 VanDerWaalsContact O-CZ 3.26Å; D2089-F2143 WeakPolarHBondContact O-CZ 3.34Å |
| 2090 | V | 78.2 | Confident | 78.4 | Confident | 82.4 Ų | 82.4 | 33.8 Ų | 33.8 | 50% | 0.499 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.4 | -47.8 | 177.3 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | I1782 N2087 F2088 G2093 F2094 | I1782-V2090 HydrophobicContact CD1-CG1 4.43Å; N2087-V2090 HydrophobicContact CB-CB 4.19Å; N2087-V2090 HydrophobicContact CB-CG2 3.99Å; N2087-V2090 WeakPolarHBondContact O-CB 3.42Å; N2087-V2090 PolarHBondContact O-N 3.25Å; N2087-V2090 VanDerWaalsContact O-N 3.14Å; N2087-V2090 PolarHBondContact OD1-N 3.33Å; F2088-V2090 VanDerWaalsContact C-N 3.29Å; F2088-V2090 PolarHBondContact O-N 3.25Å; V2090-G2093 PolarHBondContact O-N 3.48Å; V2090-F2094 WeakPolarHBondContact O-CB 3.38Å; V2090-F2094 PolarHBondContact O-N 3.26Å |
| 2091 | L | 80.6 | Confident | 79.3 | Confident | 10 Ų | 10 | 35.6 Ų | 35.6 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.8 | -45.1 | 179.7 | -62.1 | -179.3 | 0 | 0 | 0 | 111.7 | I1782 L1818 L1821 I1822 L1825 P2086 N2087 F2088 F2094 I2095 | I1782-L2091 HydrophobicContact CD1-CD2 3.76Å; I1782-L2091 HydrophobicContact CG1-CD2 4.18Å; L1818-L2091 HydrophobicContact CD1-CB 3.98Å; L1818-L2091 HydrophobicContact CD1-CD1 4.16Å; L1818-L2091 HydrophobicContact CD1-CD2 3.87Å; L1818-L2091 HydrophobicContact CD1-CG 4.11Å; L1818-L2091 HydrophobicContact CD2-CB 4.12Å; L1818-L2091 HydrophobicContact CD2-CD2 4.45Å; L1818-L2091 HydrophobicContact CG-CD2 4.13Å; L1821-L2091 HydrophobicContact CD2-CD1 3.8Å; L1821-L2091 HydrophobicContact CG-CD1 4.35Å; I1822-L2091 HydrophobicContact CD1-CB 3.74Å; I1822-L2091 HydrophobicContact CG1-CB 3.69Å; I1822-L2091 HydrophobicContact CG1-CD1 4.16Å; L1825-L2091 HydrophobicContact CD1-CD1 4.21Å; P2086-L2091 HydrophobicContact CB-CD1 3.56Å; P2086-L2091 HydrophobicContact CB-CG 4.37Å; P2086-L2091 HydrophobicContact CG-CD1 4.47Å; N2087-L2091 WeakPolarHBondContact O-CG 3.42Å; N2087-L2091 PolarHBondContact O-N 3.23Å; N2087-L2091 VanDerWaalsContact O-N 3.11Å; F2088-L2091 PolarHBondContact O-N 3.26Å; L2091-F2094 WeakPolarHBondContact O-CB 3.32Å; L2091-F2094 PolarHBondContact O-N 3.22Å; L2091-I2095 PolarHBondContact O-N 3.26Å; L2091-I2095 VanDerWaalsContact O-N 3.12Å |
| 2092 | Y | 82.7 | Confident | 80 | Confident | 15.4 Ų | 15.4 | 38 Ų | 38 | 6% | 0.06 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -46.7 | 178.6 | -176.3 | -109.4 | 0 | 0 | 0 | 111.5 | F2088 F2094 I2095 C2096 L2114 V2117 L2124 F2143 I2145 | F2088-Y2092 HydrophobicContact CE1-CD1 4.44Å; F2088-Y2092 HydrophobicContact CE1-CG 4.12Å; F2088-Y2092 HydrophobicContact CZ-CD2 4.27Å; F2088-Y2092 HydrophobicContact CZ-CG 4.23Å; F2088-Y2092 WeakPolarHBondContact O-CB 3.34Å; F2088-Y2092 PolarHBondContact O-N 3.25Å; Y2092-F2094 VanDerWaalsContact C-N 3.27Å; Y2092-F2094 PolarHBondContact O-N 3.07Å; Y2092-I2095 PolarHBondContact O-N 3.19Å; Y2092-I2095 VanDerWaalsContact O-N 3.15Å; Y2092-C2096 PolarHBondContact O-N 3.21Å; Y2092-C2096 PolarHBondContact O-SG 3.16Å; Y2092-C2096 VanDerWaalsContact O-SG 3.42Å; Y2092-L2114 HydrophobicContact CD2-CD2 4.32Å; Y2092-L2114 HydrophobicContact CE2-CD2 3.64Å; Y2092-V2117 HydrophobicContact CD2-CG1 3.96Å; Y2092-V2117 HydrophobicContact CE2-CB 4.46Å; Y2092-V2117 HydrophobicContact CE2-CG1 3.74Å; Y2092-L2124 HydrophobicContact CE2-CD1 4.09Å; Y2092-F2143 AromaticContact CD1-CD1 3.52Å; Y2092-F2143 HydrophobicContact CD1-CD1 3.52Å; Y2092-F2143 AromaticContact CD1-CE1 3.72Å; Y2092-F2143 HydrophobicContact CD1-CE1 3.72Å; Y2092-F2143 AromaticContact CE1-CD1 3.93Å; Y2092-F2143 HydrophobicContact CE1-CD1 3.93Å; Y2092-I2145 HydrophobicContact CE1-CD1 3.9Å; Y2092-I2145 HydrophobicContact CE1-CG1 4.25Å; Y2092-I2145 WeakPolarHBondContact OH-CD1 3.39Å; Y2092-I2145 VanDerWaalsContact OH-CG1 3.25Å; Y2092-I2145 WeakPolarHBondContact OH-CG1 3.38Å |
| 2093 | G | 82.2 | Confident | 81.1 | Confident | 7.4 Ų | 7.4 | 37.6 Ų | 37.6 | 8% | 0.076 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.1 | -34.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D2089 V2090 C2096 K2097 F2143 | D2089-G2093 WeakPolarHBondContact O-CA 3.29Å; D2089-G2093 PolarHBondContact O-N 3.13Å; V2090-G2093 PolarHBondContact O-N 3.48Å; G2093-C2096 WeakPolarHBondContact O-CB 3.34Å; G2093-C2096 PolarHBondContact O-N 3.31Å; G2093-K2097 WeakPolarHBondContact O-CG 3.29Å; G2093-K2097 PolarHBondContact O-N 3.14Å; G2093-F2143 VanDerWaalsContact CA-CE2 3.46Å; G2093-F2143 WeakPolarHBondContact O-CE2 3.32Å |
| 2094 | F | 83 | Confident | 82.3 | Confident | 41.4 Ų | 41.4 | 37.2 Ų | 37.2 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -46 | 174.4 | -161.7 | -91.7 | 0 | 0 | 0 | 112.2 | I1782 L1785 N1786 L1818 V2090 L2091 Y2092 C2096 K2097 L2098 | I1782-F2094 HydrophobicContact CG2-CD2 4.39Å; I1782-F2094 HydrophobicContact CG2-CE2 4.06Å; I1782-F2094 HydrophobicContact CG2-CZ 4.46Å; L1785-F2094 HydrophobicContact CB-CE1 3.42Å; L1785-F2094 VanDerWaalsContact CB-CE1 3.42Å; L1785-F2094 HydrophobicContact CB-CZ 3.71Å; L1785-F2094 HydrophobicContact CD1-CD1 4.04Å; L1785-F2094 HydrophobicContact CD1-CE1 3.58Å; L1785-F2094 HydrophobicContact CG-CE1 4.09Å; N1786-F2094 VanDerWaalsContact OD1-CE2 3.26Å; N1786-F2094 WeakPolarHBondContact OD1-CE2 3.38Å; N1786-F2094 VanDerWaalsContact OD1-CZ 3.3Å; N1786-F2094 WeakPolarHBondContact OD1-CZ 3.42Å; L1818-F2094 HydrophobicContact CD1-CD1 4.41Å; L1818-F2094 HydrophobicContact CD2-CD1 4.11Å; V2090-F2094 WeakPolarHBondContact O-CB 3.38Å; V2090-F2094 PolarHBondContact O-N 3.26Å; L2091-F2094 WeakPolarHBondContact O-CB 3.32Å; L2091-F2094 PolarHBondContact O-N 3.22Å; Y2092-F2094 VanDerWaalsContact C-N 3.27Å; Y2092-F2094 PolarHBondContact O-N 3.07Å; F2094-C2096 VanDerWaalsContact C-N 3.31Å; F2094-C2096 PolarHBondContact O-N 3.07Å; F2094-K2097 WeakPolarHBondContact O-CB 3.29Å; F2094-K2097 PolarHBondContact O-N 3.25Å; F2094-K2097 VanDerWaalsContact O-N 3.13Å; F2094-L2098 HydrophobicContact CD1-CD1 3.92Å; F2094-L2098 HydrophobicContact CD1-CG 4.18Å; F2094-L2098 HydrophobicContact CE1-CD1 3.85Å; F2094-L2098 HydrophobicContact CE1-CD2 4.15Å; F2094-L2098 HydrophobicContact CE1-CG 4.05Å; F2094-L2098 HydrophobicContact CZ-CD1 4.33Å; F2094-L2098 HydrophobicContact CZ-CD2 4.31Å; F2094-L2098 HydrophobicContact CZ-CG 4.42Å; F2094-L2098 WeakPolarHBondContact O-CG 3.25Å; F2094-L2098 PolarHBondContact O-N 3.29Å; F2094-L2098 VanDerWaalsContact O-N 3.09Å |
| 2095 | I | 85.8 | Confident | 83.2 | Confident | 0.2 Ų | 0.2 | 38.2 Ų | 38.2 | 0% | 0.001 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.4 | -41.1 | 174.5 | -60.7 | -172.4 | 0 | 0 | 0 | 111 | L1818 A1819 I1822 L2091 Y2092 K2097 L2098 A2099 A2110 C2113 L2114 | L1818-I2095 HydrophobicContact CD2-CD1 3.8Å; L1818-I2095 VanDerWaalsContact CD2-CD1 3.48Å; L1818-I2095 HydrophobicContact CD2-CG1 3.48Å; L1818-I2095 HydrophobicContact CG-CD1 4.05Å; L1818-I2095 HydrophobicContact CG-CG1 4.09Å; A1819-I2095 HydrophobicContact CB-CD1 4.21Å; I1822-I2095 HydrophobicContact CD1-CD1 3.46Å; I1822-I2095 HydrophobicContact CD1-CG1 4.04Å; L2091-I2095 PolarHBondContact O-N 3.26Å; L2091-I2095 VanDerWaalsContact O-N 3.12Å; Y2092-I2095 PolarHBondContact O-N 3.19Å; Y2092-I2095 VanDerWaalsContact O-N 3.15Å; I2095-K2097 VanDerWaalsContact C-N 3.3Å; I2095-K2097 PolarHBondContact O-N 3.26Å; I2095-L2098 WeakPolarHBondContact O-CB 3.44Å; I2095-L2098 PolarHBondContact O-N 3.32Å; I2095-L2098 VanDerWaalsContact O-N 3.15Å; I2095-A2099 PolarHBondContact O-N 3.15Å; I2095-A2110 HydrophobicContact CG2-CB 4.24Å; I2095-C2113 HydrophobicContact CD1-CB 4.36Å; I2095-C2113 HydrophobicContact CG2-CB 4.28Å; I2095-L2114 HydrophobicContact CB-CD2 4.26Å; I2095-L2114 HydrophobicContact CG2-CD1 4.42Å; I2095-L2114 HydrophobicContact CG2-CD2 3.68Å; I2095-L2114 HydrophobicContact CG2-CG 3.69Å |
| 2096 | C | 87.5 | Confident | 83.8 | Confident | 3.4 Ų | 3.4 | 38.1 Ų | 38.1 | 2% | 0.023 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.9 | -41.4 | 176 | -68.8 | 0 | 0 | 0 | 0 | 112 | Y2092 G2093 F2094 L2098 A2099 I2142 F2143 I2148 | Y2092-C2096 PolarHBondContact O-N 3.21Å; Y2092-C2096 PolarHBondContact O-SG 3.16Å; Y2092-C2096 VanDerWaalsContact O-SG 3.42Å; G2093-C2096 WeakPolarHBondContact O-CB 3.34Å; G2093-C2096 PolarHBondContact O-N 3.31Å; F2094-C2096 VanDerWaalsContact C-N 3.31Å; F2094-C2096 PolarHBondContact O-N 3.07Å; C2096-L2098 VanDerWaalsContact C-N 3.33Å; C2096-L2098 PolarHBondContact O-N 2.6Å; C2096-A2099 WeakPolarHBondContact O-CB 3.37Å; C2096-A2099 PolarHBondContact O-N 3.2Å; C2096-I2142 HydrophobicContact CB-CG2 4.47Å; C2096-F2143 HydrophobicContact CB-CB 3.64Å; C2096-F2143 HydrophobicContact CB-CD1 4.12Å; C2096-F2143 HydrophobicContact CB-CD2 4.09Å; C2096-F2143 HydrophobicContact CB-CG 3.67Å; C2096-I2148 HydrophobicContact CB-CD1 3.92Å |
| 2097 | K | 85.4 | Confident | 84.6 | Confident | 129.4 Ų | 129.4 | 39.1 Ų | 39.1 | 56% | 0.563 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -63.2 | -40.9 | 174.7 | -133.5 | 178 | -177.6 | -177.6 | 0 | 112.2 | G2093 F2094 I2095 A2099 G2100 F2143 | G2093-K2097 WeakPolarHBondContact O-CG 3.29Å; G2093-K2097 PolarHBondContact O-N 3.14Å; F2094-K2097 WeakPolarHBondContact O-CB 3.29Å; F2094-K2097 PolarHBondContact O-N 3.25Å; F2094-K2097 VanDerWaalsContact O-N 3.13Å; I2095-K2097 VanDerWaalsContact C-N 3.3Å; I2095-K2097 PolarHBondContact O-N 3.26Å; K2097-A2099 PolarHBondContact O-N 3.13Å; K2097-G2100 WeakPolarHBondContact O-CA 3.23Å; K2097-G2100 PolarHBondContact O-N 3.29Å; K2097-F2143 HydrophobicContact CB-CE1 4.5Å; K2097-F2143 HydrophobicContact CB-CZ 4.37Å; K2097-F2143 HydrophobicContact CD-CE1 4.4Å; K2097-F2143 HydrophobicContact CD-CZ 4.13Å; K2097-F2143 HydrophobicContact CG-CD1 4.5Å; K2097-F2143 HydrophobicContact CG-CE1 3.62Å; K2097-F2143 HydrophobicContact CG-CZ 3.77Å |
| 2098 | L | 87.3 | Confident | 85.5 | Confident | 7.4 Ų | 7.4 | 36.7 Ų | 36.7 | 4% | 0.039 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.6 | -25.1 | 178.3 | -67.6 | 175.7 | 0 | 0 | 0 | 113.4 | L1785 V1815 F2094 I2095 C2096 G2100 E2101 M2106 A2110 | L1785-L2098 HydrophobicContact CD1-CD1 4.2Å; L1785-L2098 HydrophobicContact CD2-CD1 4.45Å; V1815-L2098 HydrophobicContact CG1-CD1 4.45Å; V1815-L2098 HydrophobicContact CG2-CD1 3.61Å; F2094-L2098 HydrophobicContact CD1-CD1 3.92Å; F2094-L2098 HydrophobicContact CD1-CG 4.18Å; F2094-L2098 HydrophobicContact CE1-CD1 3.85Å; F2094-L2098 HydrophobicContact CE1-CD2 4.15Å; F2094-L2098 HydrophobicContact CE1-CG 4.05Å; F2094-L2098 HydrophobicContact CZ-CD1 4.33Å; F2094-L2098 HydrophobicContact CZ-CD2 4.31Å; F2094-L2098 HydrophobicContact CZ-CG 4.42Å; F2094-L2098 WeakPolarHBondContact O-CG 3.25Å; F2094-L2098 PolarHBondContact O-N 3.29Å; F2094-L2098 VanDerWaalsContact O-N 3.09Å; I2095-L2098 WeakPolarHBondContact O-CB 3.44Å; I2095-L2098 PolarHBondContact O-N 3.32Å; I2095-L2098 VanDerWaalsContact O-N 3.15Å; C2096-L2098 VanDerWaalsContact C-N 3.33Å; C2096-L2098 PolarHBondContact O-N 2.6Å; L2098-G2100 PolarHBondContact O-N 3.12Å; L2098-E2101 HydrophobicContact CD2-CG 4Å; L2098-E2101 WeakPolarHBondContact CD2-OE1 3.34Å; L2098-E2101 WeakPolarHBondContact CD2-OE2 3.39Å; L2098-E2101 WeakPolarHBondContact O-CB 3.38Å; L2098-E2101 PolarHBondContact O-N 3.12Å; L2098-M2106 HydrophobicContact CB-CG 4.47Å; L2098-M2106 HydrophobicContact CD1-CE 4.06Å; L2098-M2106 HydrophobicContact CD1-SD 4.47Å; L2098-M2106 HydrophobicContact CD2-CE 3.84Å; L2098-M2106 HydrophobicContact CD2-CG 4.17Å; L2098-M2106 HydrophobicContact CD2-SD 4.48Å; L2098-A2110 HydrophobicContact CB-CB 3.85Å |
| 2099 | A | 88.1 | Confident | 86.2 | Confident | 0.2 Ų | 0.2 | 38.1 Ų | 38.1 | 0% | 0.002 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -16.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | I2095 C2096 K2097 R2107 A2110 L2111 L2114 I2148 R2152 | I2095-A2099 PolarHBondContact O-N 3.15Å; C2096-A2099 WeakPolarHBondContact O-CB 3.37Å; C2096-A2099 PolarHBondContact O-N 3.2Å; K2097-A2099 PolarHBondContact O-N 3.13Å; A2099-R2107 WeakPolarHBondContact O-CD 3.4Å; A2099-R2107 VanDerWaalsContact O-CG 3.28Å; A2099-R2107 WeakPolarHBondContact O-CG 3.34Å; A2099-A2110 HydrophobicContact CB-CB 4.28Å; A2099-L2111 HydrophobicContact CB-CD2 4.32Å; A2099-L2111 HydrophobicContact CB-CG 4.49Å; A2099-L2114 HydrophobicContact CB-CD1 4.36Å; A2099-I2148 HydrophobicContact CB-CG2 3.78Å; A2099-R2152 VanDerWaalsContact O-CD 3.3Å; A2099-R2152 WeakPolarHBondContact O-CD 3.27Å; A2099-R2152 PolarHBondContact O-NE 2.99Å; A2099-R2152 VanDerWaalsContact O-NE 3.11Å; A2099-R2152 PolarHBondContact O-NH1 2.8Å |
| 2100 | G | 85.3 | Confident | 87 | Confident | 47.4 Ų | 47.4 | 35.4 Ų | 35.4 | 49% | 0.489 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -3.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | K2097 L2098 | K2097-G2100 WeakPolarHBondContact O-CA 3.23Å; K2097-G2100 PolarHBondContact O-N 3.29Å; L2098-G2100 PolarHBondContact O-N 3.12Å |
| 2101 | E | 85.2 | Confident | 87.7 | Confident | 59.4 Ų | 59.4 | 31.4 Ų | 31.4 | 28% | 0.278 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -66 | 160.7 | -175.2 | -102.9 | -111.1 | 170.2 | 0 | 0 | 114 | L2098 S2103 M2106 R2107 | L2098-E2101 HydrophobicContact CD2-CG 4Å; L2098-E2101 WeakPolarHBondContact CD2-OE1 3.34Å; L2098-E2101 WeakPolarHBondContact CD2-OE2 3.39Å; L2098-E2101 WeakPolarHBondContact O-CB 3.38Å; L2098-E2101 PolarHBondContact O-N 3.12Å; E2101-S2103 VanDerWaalsContact C-N 3.34Å; E2101-S2103 PolarHBondContact O-N 2.89Å; E2101-M2106 HydrophobicContact CB-CG 4.47Å; E2101-M2106 WeakPolarHBondContact OE2-CG 3.44Å; E2101-R2107 HydrophobicContact CB-CG 4.46Å; E2101-R2107 WeakPolarHBondContact O-CD 3.2Å; E2101-R2107 WeakPolarHBondContact O-CG 3.34Å; E2101-R2107 PolarHBondContact O-NE 3.27Å |
| 2102 | S | 85.2 | Confident | 88.3 | Confident | 105.2 Ų | 105.2 | 36.4 Ų | 36.4 | 74% | 0.736 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -65.9 | -38.7 | -179.6 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | V2104 R2107 | S2102-V2104 PolarHBondContact O-N 3.21Å; S2102-R2107 PolarHBondContact O-NH2 3.14Å |
| 2103 | S | 88.2 | Confident | 88.6 | Confident | 36.6 Ų | 36.6 | 35.8 Ų | 35.8 | 26% | 0.256 | 20% | 0.199 | S | C | . | . | trans | -66 | 119.1 | -175.9 | 178.4 | 0 | 0 | 0 | 0 | 112.9 | E2101 P2105 M2106 R2107 | E2101-S2103 VanDerWaalsContact C-N 3.34Å; E2101-S2103 PolarHBondContact O-N 2.89Å; S2103-P2105 WeakPolarHBondContact OG-CD 3.3Å; S2103-M2106 WeakPolarHBondContact O-CB 3.4Å; S2103-M2106 PolarHBondContact O-N 3.42Å; S2103-R2107 PolarHBondContact O-N 3.09Å | ||
| 2104 | V | 91.9 | Very high | 89.1 | Confident | 52.8 Ų | 52.8 | 35.5 Ų | 35.5 | 32% | 0.32 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.1 | -48.2 | 179.3 | 166.6 | 0 | 0 | 0 | 0 | 112.9 | S2102 M2106 R2107 S2108 S2157 V2160 | S2102-V2104 PolarHBondContact O-N 3.21Å; V2104-M2106 PolarHBondContact O-N 3.13Å; V2104-R2107 VanDerWaalsContact CG2-NH2 3.3Å; V2104-R2107 PolarHBondContact O-N 3.17Å; V2104-S2108 PolarHBondContact O-N 3.04Å; V2104-S2108 PolarHBondContact O-OG 3.19Å; V2104-S2157 WeakPolarHBondContact CG1-OG 3.39Å; V2104-V2160 HydrophobicContact CG1-CG2 4.23Å |
| 2105 | P | 89.4 | Confident | 89.5 | Confident | 53.6 Ų | 53.6 | 33.5 Ų | 33.5 | 35% | 0.348 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.1 | -37.8 | 174.9 | -26.1 | 35.5 | 0 | 0 | 0 | 112.3 | L1808 L1812 S2103 S2108 K2109 | L1808-P2105 HydrophobicContact CD2-CB 4.47Å; L1808-P2105 HydrophobicContact CD2-CG 4.35Å; L1812-P2105 HydrophobicContact CD1-CB 4.4Å; L1812-P2105 HydrophobicContact CD2-CB 4.22Å; S2103-P2105 WeakPolarHBondContact OG-CD 3.3Å; P2105-S2108 PolarHBondContact O-OG 3.17Å; P2105-S2108 VanDerWaalsContact O-OG 3.11Å; P2105-K2109 WeakPolarHBondContact O-CB 3.32Å; P2105-K2109 PolarHBondContact O-N 3.02Å |
| 2106 | M | 89.1 | Confident | 89.6 | Confident | 9 Ų | 9 | 35.4 Ų | 35.4 | 4% | 0.044 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.2 | -49.3 | -179.6 | -161.6 | 58.1 | 77.5 | 0 | 0 | 111.9 | L1808 K1811 L1812 V1815 L2098 E2101 S2103 V2104 S2108 K2109 A2110 | L1808-M2106 HydrophobicContact CD1-CE 4.26Å; K1811-M2106 HydrophobicContact CB-CE 3.47Å; K1811-M2106 VanDerWaalsContact CB-CE 3.47Å; K1811-M2106 HydrophobicContact CD-CE 4.39Å; K1811-M2106 HydrophobicContact CG-CE 4.46Å; L1812-M2106 HydrophobicContact CD2-CE 4.32Å; L1812-M2106 HydrophobicContact CD2-SD 4.36Å; V1815-M2106 HydrophobicContact CG2-SD 3.46Å; V1815-M2106 WeakPolarHBondContact CG2-SD 3.41Å; L2098-M2106 HydrophobicContact CB-CG 4.47Å; L2098-M2106 HydrophobicContact CD1-CE 4.06Å; L2098-M2106 HydrophobicContact CD1-SD 4.47Å; L2098-M2106 HydrophobicContact CD2-CE 3.84Å; L2098-M2106 HydrophobicContact CD2-CG 4.17Å; L2098-M2106 HydrophobicContact CD2-SD 4.48Å; E2101-M2106 HydrophobicContact CB-CG 4.47Å; E2101-M2106 WeakPolarHBondContact OE2-CG 3.44Å; S2103-M2106 WeakPolarHBondContact O-CB 3.4Å; S2103-M2106 PolarHBondContact O-N 3.42Å; V2104-M2106 PolarHBondContact O-N 3.13Å; M2106-S2108 PolarHBondContact O-N 2.93Å; M2106-K2109 PolarHBondContact O-N 3.12Å; M2106-A2110 WeakPolarHBondContact O-CB 3.27Å; M2106-A2110 PolarHBondContact O-N 3.27Å |
| 2107 | R | 93.2 | Very high | 89.5 | Confident | 28.6 Ų | 28.6 | 35.4 Ų | 35.4 | 11% | 0.108 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.4 | -49.9 | 177.8 | -74 | -173.9 | -87.3 | 149.1 | -3.9 | 112.7 | A2099 E2101 S2102 S2103 V2104 K2109 A2110 L2111 D2155 V2160 | A2099-R2107 WeakPolarHBondContact O-CD 3.4Å; A2099-R2107 VanDerWaalsContact O-CG 3.28Å; A2099-R2107 WeakPolarHBondContact O-CG 3.34Å; E2101-R2107 HydrophobicContact CB-CG 4.46Å; E2101-R2107 WeakPolarHBondContact O-CD 3.2Å; E2101-R2107 WeakPolarHBondContact O-CG 3.34Å; E2101-R2107 PolarHBondContact O-NE 3.27Å; S2102-R2107 PolarHBondContact O-NH2 3.14Å; S2103-R2107 PolarHBondContact O-N 3.09Å; V2104-R2107 VanDerWaalsContact CG2-NH2 3.3Å; V2104-R2107 PolarHBondContact O-N 3.17Å; R2107-K2109 VanDerWaalsContact C-N 3.29Å; R2107-K2109 PolarHBondContact O-N 3.11Å; R2107-A2110 PolarHBondContact O-N 3.14Å; R2107-L2111 WeakPolarHBondContact O-CG 3.29Å; R2107-L2111 PolarHBondContact O-N 3.15Å; R2107-D2155 IonicContact CZ-OD1 3.15Å; R2107-D2155 IonicContact CZ-OD2 3.19Å; R2107-D2155 IonicContact NH1-OD1 3.38Å; R2107-D2155 PolarHBondContact NH1-OD1 2.94Å; R2107-D2155 IonicContact NH1-OD2 3.55Å; R2107-D2155 PolarHBondContact NH1-OD2 3.19Å; R2107-V2160 HydrophobicContact CB-CG1 4.31Å; R2107-V2160 HydrophobicContact CB-CG2 3.9Å |
| 2108 | S | 93.9 | Very high | 89.6 | Confident | 8.6 Ų | 8.6 | 29.2 Ų | 29.2 | 6% | 0.06 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.3 | -37.4 | -179.8 | 57.8 | 0 | 0 | 0 | 0 | 111.6 | V2104 P2105 M2106 R2112 A2163 | V2104-S2108 PolarHBondContact O-N 3.04Å; V2104-S2108 PolarHBondContact O-OG 3.19Å; P2105-S2108 PolarHBondContact O-OG 3.17Å; P2105-S2108 VanDerWaalsContact O-OG 3.11Å; M2106-S2108 PolarHBondContact O-N 2.93Å; S2108-R2112 WeakPolarHBondContact O-CG 3.41Å; S2108-R2112 PolarHBondContact O-N 3.25Å; S2108-A2163 WeakPolarHBondContact O-CB 3.29Å |
| 2109 | K | 91.8 | Very high | 89.5 | Confident | 44.2 Ų | 44.2 | 31.8 Ų | 31.8 | 19% | 0.192 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.8 | -45.9 | 175.2 | -169.1 | 59.4 | 153.9 | 165.1 | 0 | 112.4 | L1812 V1815 D1816 P2105 M2106 R2107 L2111 R2112 C2113 | L1812-K2109 HydrophobicContact CD2-CB 3.87Å; L1812-K2109 HydrophobicContact CD2-CG 3.96Å; V1815-K2109 HydrophobicContact CB-CG 4.47Å; V1815-K2109 HydrophobicContact CG1-CG 4.22Å; D1816-K2109 WeakPolarHBondContact OD1-CE 3.37Å; D1816-K2109 IonicContact OD1-NZ 3.38Å; D1816-K2109 PolarHBondContact OD1-NZ 3.17Å; D1816-K2109 WeakPolarHBondContact OD2-CE 3.33Å; D1816-K2109 IonicContact OD2-NZ 2.66Å; D1816-K2109 PolarHBondContact OD2-NZ 3.03Å; P2105-K2109 WeakPolarHBondContact O-CB 3.32Å; P2105-K2109 PolarHBondContact O-N 3.02Å; M2106-K2109 PolarHBondContact O-N 3.12Å; R2107-K2109 VanDerWaalsContact C-N 3.29Å; R2107-K2109 PolarHBondContact O-N 3.11Å; K2109-L2111 VanDerWaalsContact C-N 3.3Å; K2109-L2111 PolarHBondContact O-N 3.14Å; K2109-R2112 PolarHBondContact O-N 3.09Å; K2109-R2112 VanDerWaalsContact O-N 3.11Å; K2109-C2113 PolarHBondContact O-N 2.98Å; K2109-C2113 PolarHBondContact O-SG 3.07Å; K2109-C2113 VanDerWaalsContact O-SG 3.35Å |
| 2110 | A | 91.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.8 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | I2095 L2098 A2099 M2106 R2107 R2112 C2113 L2114 | I2095-A2110 HydrophobicContact CG2-CB 4.24Å; L2098-A2110 HydrophobicContact CB-CB 3.85Å; A2099-A2110 HydrophobicContact CB-CB 4.28Å; M2106-A2110 WeakPolarHBondContact O-CB 3.27Å; M2106-A2110 PolarHBondContact O-N 3.27Å; R2107-A2110 PolarHBondContact O-N 3.14Å; A2110-R2112 PolarHBondContact O-N 3.15Å; A2110-C2113 CarbonylContact O-C 3.55Å; A2110-C2113 WeakPolarHBondContact O-CB 3.38Å; A2110-C2113 PolarHBondContact O-N 3.16Å; A2110-C2113 VanDerWaalsContact O-N 3.17Å; A2110-L2114 WeakPolarHBondContact O-CG 3.35Å; A2110-L2114 PolarHBondContact O-N 3.08Å |
| 2111 | L | 93.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63 | -40.9 | 175.8 | -71.9 | 169.6 | 0 | 0 | 0 | 113.2 | A2099 R2107 K2109 C2113 L2114 A2115 I2148 R2152 V2160 A2163 A2164 L2167 | A2099-L2111 HydrophobicContact CB-CD2 4.32Å; A2099-L2111 HydrophobicContact CB-CG 4.49Å; R2107-L2111 WeakPolarHBondContact O-CG 3.29Å; R2107-L2111 PolarHBondContact O-N 3.15Å; K2109-L2111 VanDerWaalsContact C-N 3.3Å; K2109-L2111 PolarHBondContact O-N 3.14Å; L2111-C2113 VanDerWaalsContact C-N 3.31Å; L2111-C2113 PolarHBondContact O-N 3.08Å; L2111-L2114 HydrophobicContact CD2-CD1 4.48Å; L2111-L2114 PolarHBondContact O-N 3.27Å; L2111-A2115 PolarHBondContact O-N 3.17Å; L2111-I2148 HydrophobicContact CD2-CG2 4.47Å; L2111-R2152 HydrophobicContact CD1-CB 3.92Å; L2111-R2152 HydrophobicContact CD1-CG 4.09Å; L2111-R2152 HydrophobicContact CD2-CB 4.43Å; L2111-R2152 HydrophobicContact CD2-CG 4.29Å; L2111-V2160 HydrophobicContact CD1-CG1 3.67Å; L2111-V2160 WeakPolarHBondContact CD1-O 3.38Å; L2111-A2163 HydrophobicContact CB-CB 3.76Å; L2111-A2163 HydrophobicContact CD1-CB 4.13Å; L2111-A2164 HydrophobicContact CD1-CB 4.12Å; L2111-L2167 HydrophobicContact CD2-CD1 4.23Å |
| 2112 | R | 92.7 | Very high | 88.8 | Confident | 114 Ų | 114 | 30.3 Ų | 30.3 | 43% | 0.43 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -65.2 | -37.3 | 174.3 | -67.8 | 179.8 | -160.3 | 156.4 | 4.4 | 112 | S2108 K2109 A2110 A2115 S2116 A2163 | S2108-R2112 WeakPolarHBondContact O-CG 3.41Å; S2108-R2112 PolarHBondContact O-N 3.25Å; K2109-R2112 PolarHBondContact O-N 3.09Å; K2109-R2112 VanDerWaalsContact O-N 3.11Å; A2110-R2112 PolarHBondContact O-N 3.15Å; R2112-A2115 WeakPolarHBondContact O-CB 3.4Å; R2112-A2115 PolarHBondContact O-N 3.06Å; R2112-S2116 PolarHBondContact O-N 3.25Å; R2112-S2116 VanDerWaalsContact O-N 3.12Å; R2112-S2116 PolarHBondContact O-OG 3.3Å; R2112-A2163 HydrophobicContact CG-CB 4.1Å |
| 2113 | C | 90.4 | Very high | 88.4 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 3% | 0.027 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.9 | -43.5 | 173.9 | -68 | 0 | 0 | 0 | 0 | 111.2 | V1815 A1819 I2095 K2109 A2110 L2111 A2115 S2116 V2117 | V1815-C2113 HydrophobicContact CG1-CB 4.42Å; A1819-C2113 HydrophobicContact CB-CB 3.54Å; A1819-C2113 VanDerWaalsContact CB-SG 3.57Å; I2095-C2113 HydrophobicContact CD1-CB 4.36Å; I2095-C2113 HydrophobicContact CG2-CB 4.28Å; K2109-C2113 PolarHBondContact O-N 2.98Å; K2109-C2113 PolarHBondContact O-SG 3.07Å; K2109-C2113 VanDerWaalsContact O-SG 3.35Å; A2110-C2113 CarbonylContact O-C 3.55Å; A2110-C2113 WeakPolarHBondContact O-CB 3.38Å; A2110-C2113 PolarHBondContact O-N 3.16Å; A2110-C2113 VanDerWaalsContact O-N 3.17Å; L2111-C2113 VanDerWaalsContact C-N 3.31Å; L2111-C2113 PolarHBondContact O-N 3.08Å; C2113-A2115 VanDerWaalsContact C-N 3.29Å; C2113-A2115 PolarHBondContact O-N 3.2Å; C2113-S2116 WeakPolarHBondContact O-CB 3.49Å; C2113-S2116 PolarHBondContact O-N 3.15Å; C2113-S2116 VanDerWaalsContact O-N 3.12Å; C2113-S2116 PolarHBondContact O-OG 3.19Å; C2113-V2117 VanDerWaalsContact O-CG2 3.29Å; C2113-V2117 WeakPolarHBondContact O-CG2 3.39Å; C2113-V2117 PolarHBondContact O-N 3.21Å; C2113-V2117 VanDerWaalsContact O-N 3.07Å |
| 2114 | L | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.9 | -38.6 | 173.7 | -70.4 | 173.2 | 0 | 0 | 0 | 111.8 | Y2092 I2095 A2099 A2110 L2111 S2116 V2117 I2118 I2145 L2167 | Y2092-L2114 HydrophobicContact CD2-CD2 4.32Å; Y2092-L2114 HydrophobicContact CE2-CD2 3.64Å; I2095-L2114 HydrophobicContact CB-CD2 4.26Å; I2095-L2114 HydrophobicContact CG2-CD1 4.42Å; I2095-L2114 HydrophobicContact CG2-CD2 3.68Å; I2095-L2114 HydrophobicContact CG2-CG 3.69Å; A2099-L2114 HydrophobicContact CB-CD1 4.36Å; A2110-L2114 WeakPolarHBondContact O-CG 3.35Å; A2110-L2114 PolarHBondContact O-N 3.08Å; L2111-L2114 HydrophobicContact CD2-CD1 4.48Å; L2111-L2114 PolarHBondContact O-N 3.27Å; L2114-S2116 VanDerWaalsContact C-N 3.33Å; L2114-S2116 PolarHBondContact O-N 3.18Å; L2114-V2117 PolarHBondContact O-N 3.04Å; L2114-I2118 WeakPolarHBondContact O-CB 3.36Å; L2114-I2118 VanDerWaalsContact O-CG1 3.28Å; L2114-I2118 WeakPolarHBondContact O-CG1 3.26Å; L2114-I2118 PolarHBondContact O-N 3.13Å; L2114-I2145 HydrophobicContact CB-CD1 4.45Å; L2114-I2145 HydrophobicContact CD1-CD1 4.2Å; L2114-I2145 HydrophobicContact CD2-CD1 4.13Å; L2114-I2145 HydrophobicContact CG-CD1 4.49Å; L2114-L2167 HydrophobicContact CB-CD1 3.58Å; L2114-L2167 HydrophobicContact CD1-CD1 4.46Å |
| 2115 | A | 91.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.4 | -45.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | L2111 R2112 C2113 V2117 I2118 D2119 L2167 | L2111-A2115 PolarHBondContact O-N 3.17Å; R2112-A2115 WeakPolarHBondContact O-CB 3.4Å; R2112-A2115 PolarHBondContact O-N 3.06Å; C2113-A2115 VanDerWaalsContact C-N 3.29Å; C2113-A2115 PolarHBondContact O-N 3.2Å; A2115-V2117 VanDerWaalsContact C-N 3.33Å; A2115-V2117 PolarHBondContact O-N 3.41Å; A2115-I2118 PolarHBondContact O-N 3.1Å; A2115-D2119 VanDerWaalsContact O-CG 3.28Å; A2115-D2119 PolarHBondContact O-N 3.13Å; A2115-L2167 HydrophobicContact CB-CB 3.99Å; A2115-L2167 HydrophobicContact CB-CG 4.23Å |
| 2116 | S | 88.1 | Confident | 86.1 | Confident | 40.6 Ų | 40.6 | 28.1 Ų | 28.1 | 28% | 0.284 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -67.1 | -31.7 | 177.2 | 55.1 | 0 | 0 | 0 | 0 | 113.5 | R2112 C2113 L2114 A2120 | R2112-S2116 PolarHBondContact O-N 3.25Å; R2112-S2116 VanDerWaalsContact O-N 3.12Å; R2112-S2116 PolarHBondContact O-OG 3.3Å; C2113-S2116 WeakPolarHBondContact O-CB 3.49Å; C2113-S2116 PolarHBondContact O-N 3.15Å; C2113-S2116 VanDerWaalsContact O-N 3.12Å; C2113-S2116 PolarHBondContact O-OG 3.19Å; L2114-S2116 VanDerWaalsContact C-N 3.33Å; L2114-S2116 PolarHBondContact O-N 3.18Å; S2116-A2120 PolarHBondContact O-N 3.11Å |
| 2117 | V | 86 | Confident | 84.7 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.5 | -40.7 | 174.4 | 175 | 0 | 0 | 0 | 0 | 111 | I1822 V1823 Y2092 C2113 L2114 A2115 D2119 A2120 D2121 L2124 | I1822-V2117 HydrophobicContact CB-CG2 4.34Å; I1822-V2117 HydrophobicContact CG2-CG1 3.92Å; I1822-V2117 HydrophobicContact CG2-CG2 3.76Å; V1823-V2117 HydrophobicContact CG2-CB 4.47Å; V1823-V2117 HydrophobicContact CG2-CG2 3.91Å; Y2092-V2117 HydrophobicContact CD2-CG1 3.96Å; Y2092-V2117 HydrophobicContact CE2-CB 4.46Å; Y2092-V2117 HydrophobicContact CE2-CG1 3.74Å; C2113-V2117 VanDerWaalsContact O-CG2 3.29Å; C2113-V2117 WeakPolarHBondContact O-CG2 3.39Å; C2113-V2117 PolarHBondContact O-N 3.21Å; C2113-V2117 VanDerWaalsContact O-N 3.07Å; L2114-V2117 PolarHBondContact O-N 3.04Å; A2115-V2117 VanDerWaalsContact C-N 3.33Å; A2115-V2117 PolarHBondContact O-N 3.41Å; V2117-D2119 VanDerWaalsContact C-N 3.33Å; V2117-D2119 PolarHBondContact O-N 3.15Å; V2117-A2120 WeakPolarHBondContact O-CB 3.42Å; V2117-A2120 PolarHBondContact O-N 3.26Å; V2117-A2120 VanDerWaalsContact O-N 3.12Å; V2117-D2121 PolarHBondContact O-N 3.07Å; V2117-L2124 HydrophobicContact CG1-CD1 3.59Å |
| 2118 | I | 86.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.3 | -35.9 | 176 | -70.7 | 165.1 | 0 | 0 | 0 | 111.2 | L2114 A2115 A2120 D2121 P2122 M2125 I2145 L2167 Y2171 | L2114-I2118 WeakPolarHBondContact O-CB 3.36Å; L2114-I2118 VanDerWaalsContact O-CG1 3.28Å; L2114-I2118 WeakPolarHBondContact O-CG1 3.26Å; L2114-I2118 PolarHBondContact O-N 3.13Å; A2115-I2118 PolarHBondContact O-N 3.1Å; I2118-A2120 PolarHBondContact O-N 3.19Å; I2118-D2121 CarbonylContact O-C 3.53Å; I2118-D2121 VanDerWaalsContact O-C 3.26Å; I2118-D2121 PolarHBondContact O-N 3.32Å; I2118-P2122 WeakPolarHBondContact O-CA 3.36Å; I2118-P2122 VanDerWaalsContact O-N 3.12Å; I2118-M2125 HydrophobicContact CD1-SD 3.99Å; I2118-I2145 HydrophobicContact CD1-CD1 3.95Å; I2118-I2145 HydrophobicContact CD1-CG2 4.27Å; I2118-L2167 HydrophobicContact CD1-CD1 4.06Å; I2118-L2167 HydrophobicContact CD1-CD2 3.58Å; I2118-L2167 HydrophobicContact CD1-CG 3.77Å; I2118-Y2171 HydrophobicContact CG2-CD2 3.92Å; I2118-Y2171 HydrophobicContact CG2-CG 4.46Å |
| 2119 | D | 85.7 | Confident | 80.7 | Confident | 62 Ų | 62 | 36.8 Ų | 36.8 | 33% | 0.332 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.9 | -35.8 | 172.4 | -70.7 | -23.7 | 0 | 0 | 0 | 111.7 | A2115 V2117 R2170 | A2115-D2119 VanDerWaalsContact O-CG 3.28Å; A2115-D2119 PolarHBondContact O-N 3.13Å; V2117-D2119 VanDerWaalsContact C-N 3.33Å; V2117-D2119 PolarHBondContact O-N 3.15Å; D2119-R2170 VanDerWaalsContact OD1-CB 3.32Å; D2119-R2170 WeakPolarHBondContact OD1-CB 3.41Å; D2119-R2170 VanDerWaalsContact OD1-CD 3.27Å; D2119-R2170 WeakPolarHBondContact OD1-CD 3.36Å; D2119-R2170 WeakPolarHBondContact OD2-CD 3.35Å; D2119-R2170 IonicContact OD2-CZ 3.07Å; D2119-R2170 IonicContact OD2-NE 3.37Å; D2119-R2170 IonicContact OD2-NH1 3.06Å; D2119-R2170 PolarHBondContact OD2-NH1 3.32Å |
| 2120 | A | 80.7 | Confident | 78.6 | Confident | 21 Ų | 21 | 41.4 Ų | 41.4 | 17% | 0.174 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -79.5 | -37 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1823 S2116 V2117 I2118 | V1823-A2120 HydrophobicContact CG1-CB 4.04Å; V1823-A2120 HydrophobicContact CG2-CB 4.41Å; S2116-A2120 PolarHBondContact O-N 3.11Å; V2117-A2120 WeakPolarHBondContact O-CB 3.42Å; V2117-A2120 PolarHBondContact O-N 3.26Å; V2117-A2120 VanDerWaalsContact O-N 3.12Å; I2118-A2120 PolarHBondContact O-N 3.19Å |
| 2121 | D | 80.5 | Confident | 76.3 | Confident | 27.8 Ų | 27.8 | 44.6 Ų | 44.6 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | trans | -145.2 | 99 | 173.8 | -174.9 | 13.7 | 0 | 0 | 0 | 113.3 | K1826 V2117 I2118 K2123 L2124 | K1826-D2121 HydrophobicContact CD-CB 3.73Å; K1826-D2121 WeakPolarHBondContact CE-OD2 3.27Å; K1826-D2121 HydrophobicContact CG-CB 4.34Å; K1826-D2121 VanDerWaalsContact NZ-CG 3.32Å; K1826-D2121 IonicContact NZ-OD2 3.34Å; K1826-D2121 PolarHBondContact NZ-OD2 3.13Å; V2117-D2121 PolarHBondContact O-N 3.07Å; I2118-D2121 CarbonylContact O-C 3.53Å; I2118-D2121 VanDerWaalsContact O-C 3.26Å; I2118-D2121 PolarHBondContact O-N 3.32Å; D2121-K2123 PolarHBondContact O-N 3.2Å; D2121-K2123 VanDerWaalsContact OD1-CB 3.28Å; D2121-K2123 WeakPolarHBondContact OD1-CB 3.38Å; D2121-K2123 WeakPolarHBondContact OD1-CG 3.28Å; D2121-K2123 PolarHBondContact OD1-N 3.18Å; D2121-K2123 VanDerWaalsContact OD1-N 3.11Å; D2121-L2124 HydrophobicContact CB-CD1 4.25Å; D2121-L2124 HydrophobicContact CB-CG 4.29Å; D2121-L2124 WeakPolarHBondContact O-CG 3.4Å; D2121-L2124 PolarHBondContact O-N 3.25Å | ||
| 2122 | P | 82.3 | Confident | 74 | Confident | 26.2 Ų | 26.2 | 53.4 Ų | 53.4 | 17% | 0.17 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -71.6 | -12.9 | -179.5 | 27.9 | -34.5 | 0 | 0 | 0 | 113.3 | I2118 L2124 M2125 Y2171 L2174 R2175 | I2118-P2122 WeakPolarHBondContact O-CA 3.36Å; I2118-P2122 VanDerWaalsContact O-N 3.12Å; P2122-L2124 PolarHBondContact O-N 3.17Å; P2122-M2125 PolarHBondContact O-N 3.24Å; P2122-Y2171 HydrophobicContact CB-CD2 4.34Å; P2122-Y2171 HydrophobicContact CB-CE2 4.35Å; P2122-L2174 HydrophobicContact CB-CB 4.47Å; P2122-L2174 HydrophobicContact CB-CD1 4.41Å; P2122-R2175 HydrophobicContact CB-CG 4.23Å |
| 2123 | K | 78.1 | Confident | 71.7 | Confident | 136 Ų | 136 | 55.4 Ų | 55.4 | 59% | 0.591 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -65.6 | -22.2 | 178.5 | -62.4 | 179.7 | 179.5 | -178.6 | 0 | 112.4 | D2121 M2125 S2126 I2127 | D2121-K2123 PolarHBondContact O-N 3.2Å; D2121-K2123 VanDerWaalsContact OD1-CB 3.28Å; D2121-K2123 WeakPolarHBondContact OD1-CB 3.38Å; D2121-K2123 WeakPolarHBondContact OD1-CG 3.28Å; D2121-K2123 PolarHBondContact OD1-N 3.18Å; D2121-K2123 VanDerWaalsContact OD1-N 3.11Å; K2123-M2125 PolarHBondContact O-N 3.19Å; K2123-M2125 VanDerWaalsContact O-N 3.17Å; K2123-S2126 PolarHBondContact O-N 3.13Å; K2123-S2126 VanDerWaalsContact O-N 3.13Å; K2123-S2126 PolarHBondContact O-OG 3.24Å; K2123-I2127 WeakPolarHBondContact O-CG1 3.2Å |
| 2124 | L | 76.4 | Confident | 69.3 | Low | 11 Ų | 11 | 61.9 Ų | 61.9 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -59.7 | -29.5 | 178.5 | -65.2 | 173.2 | 0 | 0 | 0 | 112.7 | K1826 F2088 Y2092 V2117 D2121 P2122 S2126 I2127 I2145 | K1826-L2124 VanDerWaalsContact NZ-CD2 3.33Å; K1826-L2124 VanDerWaalsContact NZ-CG 3.33Å; F2088-L2124 HydrophobicContact CE1-CD2 4.04Å; F2088-L2124 HydrophobicContact CZ-CD1 3.91Å; F2088-L2124 HydrophobicContact CZ-CD2 4.12Å; Y2092-L2124 HydrophobicContact CE2-CD1 4.09Å; V2117-L2124 HydrophobicContact CG1-CD1 3.59Å; D2121-L2124 HydrophobicContact CB-CD1 4.25Å; D2121-L2124 HydrophobicContact CB-CG 4.29Å; D2121-L2124 WeakPolarHBondContact O-CG 3.4Å; D2121-L2124 PolarHBondContact O-N 3.25Å; P2122-L2124 PolarHBondContact O-N 3.17Å; L2124-S2126 VanDerWaalsContact C-N 3.31Å; L2124-S2126 PolarHBondContact O-N 3.11Å; L2124-I2127 HydrophobicContact CB-CD1 4.39Å; L2124-I2127 HydrophobicContact CD2-CD1 3.88Å; L2124-I2145 HydrophobicContact CB-CD1 4.39Å; L2124-I2145 WeakPolarHBondContact O-CD1 3.2Å |
| 2125 | M | 77.7 | Confident | 66.9 | Low | 12 Ų | 12 | 72 Ų | 72 | 6% | 0.059 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -71.2 | -23 | 179.5 | -156 | 70.9 | -174 | 0 | 0 | 113.1 | I2118 P2122 K2123 I2145 V2149 L2167 Y2171 Y2182 | I2118-M2125 HydrophobicContact CD1-SD 3.99Å; P2122-M2125 PolarHBondContact O-N 3.24Å; K2123-M2125 PolarHBondContact O-N 3.19Å; K2123-M2125 VanDerWaalsContact O-N 3.17Å; M2125-I2145 HydrophobicContact CE-CB 4.24Å; M2125-I2145 HydrophobicContact CE-CG2 4.01Å; M2125-I2145 HydrophobicContact CG-CG2 4.37Å; M2125-I2145 HydrophobicContact SD-CB 4.09Å; M2125-I2145 HydrophobicContact SD-CD1 4.37Å; M2125-I2145 HydrophobicContact SD-CG1 4.08Å; M2125-I2145 HydrophobicContact SD-CG2 3.47Å; M2125-I2145 VanDerWaalsContact SD-CG2 3.5Å; M2125-I2145 WeakPolarHBondContact SD-CG2 3.44Å; M2125-V2149 HydrophobicContact CE-CB 4.39Å; M2125-V2149 HydrophobicContact CE-CG2 4.13Å; M2125-L2167 HydrophobicContact CE-CD2 4.38Å; M2125-L2167 HydrophobicContact SD-CD2 4.43Å; M2125-Y2171 HydrophobicContact CB-CD2 3.89Å; M2125-Y2171 HydrophobicContact CB-CE1 4.4Å; M2125-Y2171 HydrophobicContact CB-CE2 3.41Å; M2125-Y2171 VanDerWaalsContact CB-CE2 3.43Å; M2125-Y2171 HydrophobicContact CG-CD1 4.18Å; M2125-Y2171 HydrophobicContact CG-CD2 4.07Å; M2125-Y2171 HydrophobicContact CG-CE1 3.93Å; M2125-Y2171 HydrophobicContact CG-CE2 3.81Å; M2125-Y2171 HydrophobicContact CG-CG 4.24Å; M2125-Y2182 HydrophobicContact CE-CE1 4.19Å; M2125-Y2182 VanDerWaalsContact CE-OH 3.23Å; M2125-Y2182 WeakPolarHBondContact CE-OH 3.36Å |
| 2126 | S | 67 | Low | 64.4 | Low | 42.2 Ų | 42.2 | 76.1 Ų | 76.1 | 30% | 0.295 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -99.6 | -5.9 | -171.5 | 35.3 | 0 | 0 | 0 | 0 | 115.3 | K2123 L2124 N2128 K2129 Y2171 | K2123-S2126 PolarHBondContact O-N 3.13Å; K2123-S2126 VanDerWaalsContact O-N 3.13Å; K2123-S2126 PolarHBondContact O-OG 3.24Å; L2124-S2126 VanDerWaalsContact C-N 3.31Å; L2124-S2126 PolarHBondContact O-N 3.11Å; S2126-N2128 PolarHBondContact O-N 3.3Å; S2126-K2129 PolarHBondContact O-N 3.05Å; S2126-K2129 VanDerWaalsContact O-N 3.15Å; S2126-Y2171 PolarHBondContact OG-OH 2.97Å |
| 2127 | I | 60.1 | Low | 61.9 | Low | 63.2 Ų | 63.2 | 81.3 Ų | 81.3 | 32% | 0.324 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -54.3 | -28.4 | -168.9 | -66 | 175 | 0 | 0 | 0 | 113.5 | L1840 K2123 L2124 K2129 T2131 I2142 | L1840-I2127 HydrophobicContact CD1-CG2 4.16Å; K2123-I2127 WeakPolarHBondContact O-CG1 3.2Å; L2124-I2127 HydrophobicContact CB-CD1 4.39Å; L2124-I2127 HydrophobicContact CD2-CD1 3.88Å; I2127-K2129 PolarHBondContact O-N 3.4Å; I2127-T2131 PolarHBondContact O-OG1 3.12Å; I2127-T2131 VanDerWaalsContact O-OG1 3.08Å; I2127-I2142 HydrophobicContact CB-CG2 4.47Å; I2127-I2142 HydrophobicContact CG2-CD1 4.29Å; I2127-I2142 HydrophobicContact CG2-CG2 3.96Å |
| 2128 | N | 53.2 | Low | 59.5 | Low | 47.6 Ų | 47.6 | 84.1 Ų | 84.1 | 26% | 0.255 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -81 | -15.8 | -174.8 | -76.8 | 0.8 | 0 | 0 | 0 | 116.1 | S2126 T2131 I2142 D2144 | S2126-N2128 PolarHBondContact O-N 3.3Å; N2128-T2131 PolarHBondContact O-OG1 2.97Å; N2128-I2142 WeakPolarHBondContact OD1-CG2 3.4Å; N2128-D2144 VanDerWaalsContact ND2-CA 3.3Å; N2128-D2144 WeakPolarHBondContact ND2-CA 3.31Å; N2128-D2144 WeakPolarHBondContact ND2-CB 3.36Å; N2128-D2144 PolarHBondContact ND2-OD1 3.22Å; N2128-D2144 PolarHBondContact ND2-OD2 3.18Å; N2128-D2144 VanDerWaalsContact ND2-OD2 3.08Å |
| 2129 | K | 49.4 | Very low | 57.2 | Low | 119.8 Ų | 119.8 | 89.5 Ų | 89.5 | 52% | 0.521 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -76.9 | -34.2 | -176 | -72.5 | -171.4 | -178.2 | 177.6 | 0 | 112.8 | S2126 I2127 T2131 E2181 | S2126-K2129 PolarHBondContact O-N 3.05Å; S2126-K2129 VanDerWaalsContact O-N 3.15Å; I2127-K2129 PolarHBondContact O-N 3.4Å; K2129-T2131 VanDerWaalsContact C-N 3.31Å; K2129-T2131 PolarHBondContact O-N 2.89Å; K2129-E2181 WeakPolarHBondContact CE-OE1 3.48Å; K2129-E2181 WeakPolarHBondContact CE-OE2 3.31Å; K2129-E2181 IonicContact NZ-OE1 2.79Å; K2129-E2181 PolarHBondContact NZ-OE1 3.37Å; K2129-E2181 IonicContact NZ-OE2 3.29Å; K2129-E2181 PolarHBondContact NZ-OE2 3.07Å |
| 2130 | D | 46.8 | Very low | 55.2 | Low | 140.2 Ų | 140.2 | 88.6 Ų | 88.6 | 75% | 0.75 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -79 | -19.7 | -177.1 | -61.4 | -25.2 | 0 | 0 | 0 | 112.5 | K2132 | D2130-K2132 VanDerWaalsContact C-N 3.31Å; D2130-K2132 PolarHBondContact O-N 3.13Å |
| 2131 | T | 44.1 | Very low | 53.7 | Low | 67 Ų | 67 | 92.2 Ų | 92.2 | 41% | 0.411 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -86.2 | -7.6 | -173.9 | -11.5 | 0 | 0 | 0 | 0 | 114.7 | I2127 N2128 K2129 N2133 K2134 | I2127-T2131 PolarHBondContact O-OG1 3.12Å; I2127-T2131 VanDerWaalsContact O-OG1 3.08Å; N2128-T2131 PolarHBondContact O-OG1 2.97Å; K2129-T2131 VanDerWaalsContact C-N 3.31Å; K2129-T2131 PolarHBondContact O-N 2.89Å; T2131-N2133 PolarHBondContact O-N 2.96Å; T2131-K2134 PolarHBondContact O-N 3.21Å; T2131-K2134 VanDerWaalsContact O-N 3.07Å |
| 2132 | K | 45.7 | Very low | 52.3 | Low | 185 Ų | 185 | 94.4 Ų | 94.4 | 80% | 0.804 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.2 | 177.7 | -79.3 | -171.7 | 177 | -177.1 | 0 | 113.6 | D2130 | D2130-K2132 VanDerWaalsContact C-N 3.31Å; D2130-K2132 PolarHBondContact O-N 3.13Å |
| 2133 | N | 45 | Very low | 51.4 | Low | 154.8 Ų | 154.8 | 95.9 Ų | 95.9 | 83% | 0.828 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 12.7 | 177.5 | -74.4 | -9.1 | 0 | 0 | 0 | 114.2 | T2131 | T2131-N2133 PolarHBondContact O-N 2.96Š|
| 2134 | K | 40.3 | Very low | 50.9 | Low | 140.8 Ų | 140.8 | 91.7 Ų | 91.7 | 61% | 0.612 | 49% | 0.491 | S | S | * | . | trans | -125.7 | 93 | 169.4 | -95.1 | 175.6 | 176 | 178.5 | 0 | 111 | N1844 T2131 T2136 | N1844-K2134 PolarHBondContact OD1-NZ 3.28Å; T2131-K2134 PolarHBondContact O-N 3.21Å; T2131-K2134 VanDerWaalsContact O-N 3.07Å; K2134-T2136 VanDerWaalsContact C-N 3.28Å; K2134-T2136 PolarHBondContact O-N 3.17Å; K2134-T2136 VanDerWaalsContact O-N 3.09Å | ||
| 2135 | K | 38.8 | Very low | 51.1 | Low | 213.6 Ų | 213.6 | 91.4 Ų | 91.4 | 93% | 0.929 | 49% | 0.49 | S | S | * | . | trans | -69.9 | 72.8 | 162.2 | -73.6 | 179.9 | 177.7 | 177.3 | 0 | 109.4 | ||||
| 2136 | T | 39.8 | Very low | 51.2 | Low | 86.2 Ų | 86.2 | 91.3 Ų | 91.3 | 53% | 0.529 | 49% | 0.49 | S | S | . | . | trans | -130.9 | 118.8 | 163.4 | 47.8 | 0 | 0 | 0 | 0 | 107.7 | K2134 S2138 | K2134-T2136 VanDerWaalsContact C-N 3.28Å; K2134-T2136 PolarHBondContact O-N 3.17Å; K2134-T2136 VanDerWaalsContact O-N 3.09Å; T2136-S2138 VanDerWaalsContact C-N 3.3Å; T2136-S2138 PolarHBondContact O-N 3.13Å; T2136-S2138 PolarHBondContact O-OG 3.46Å | ||
| 2137 | T | 35.7 | Very low | 51.9 | Low | 149.4 Ų | 149.4 | 93.5 Ų | 93.5 | 92% | 0.917 | 50% | 0.499 | S | S | * | . | trans | -56.3 | 83.8 | 177.5 | 44.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 2138 | S | 36.4 | Very low | 53 | Low | 59.6 Ų | 59.6 | 92 Ų | 92 | 42% | 0.417 | 49% | 0.491 | S | S | . | . | trans | -104 | 110.8 | 167.9 | 59.4 | 0 | 0 | 0 | 0 | 108.6 | T2136 S2140 | T2136-S2138 VanDerWaalsContact C-N 3.3Å; T2136-S2138 PolarHBondContact O-N 3.13Å; T2136-S2138 PolarHBondContact O-OG 3.46Å; S2138-S2140 VanDerWaalsContact C-N 3.26Å; S2138-S2140 PolarHBondContact O-N 3.07Å; S2138-S2140 VanDerWaalsContact O-N 3.16Å | ||
| 2139 | S | 38 | Very low | 54.6 | Low | 115 Ų | 115 | 89.8 Ų | 89.8 | 80% | 0.804 | 48% | 0.479 | S | S | * | . | trans | -77.1 | 44.7 | -174.5 | 50.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2140 | S | 43.7 | Very low | 56.4 | Low | 42.2 Ų | 42.2 | 87.3 Ų | 87.3 | 30% | 0.295 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -117.5 | 112.5 | 165.5 | 53.4 | 0 | 0 | 0 | 0 | 110.2 | L1840 S2138 I2142 | L1840-S2140 WeakPolarHBondContact CD1-OG 3.35Å; S2138-S2140 VanDerWaalsContact C-N 3.26Å; S2138-S2140 PolarHBondContact O-N 3.07Å; S2138-S2140 VanDerWaalsContact O-N 3.16Å; S2140-I2142 VanDerWaalsContact C-N 3.31Å; S2140-I2142 PolarHBondContact O-N 3.19Å |
| 2141 | P | 47.9 | Very low | 58.4 | Low | 96.2 Ų | 96.2 | 83.1 Ų | 83.1 | 63% | 0.625 | 45% | 0.451 | S | S | * | . | trans | -75.4 | 80.9 | -179 | 31 | -32.6 | 0 | 0 | 0 | 109.7 | F2143 | P2141-F2143 VanDerWaalsContact C-N 3.31Å; P2141-F2143 HydrophobicContact CB-CE1 4.16Å; P2141-F2143 HydrophobicContact CB-CE2 4.09Å; P2141-F2143 HydrophobicContact CB-CZ 4.04Å; P2141-F2143 HydrophobicContact CG-CE1 4.45Å; P2141-F2143 HydrophobicContact CG-CE2 3.9Å; P2141-F2143 HydrophobicContact CG-CZ 3.98Å; P2141-F2143 WeakPolarHBondContact O-CD2 3.29Å; P2141-F2143 VanDerWaalsContact O-CE2 3.29Å; P2141-F2143 WeakPolarHBondContact O-CE2 3.4Å; P2141-F2143 PolarHBondContact O-N 3.08Å; P2141-F2143 VanDerWaalsContact O-N 3.16Å | ||
| 2142 | I | 51.6 | Low | 60.7 | Low | 73.6 Ų | 73.6 | 82.5 Ų | 82.5 | 38% | 0.377 | 44% | 0.442 | S | S | . | . | trans | -69.5 | 86.5 | 169.4 | -60.2 | 171.5 | 0 | 0 | 0 | 106.8 | L1840 C2096 I2127 N2128 S2140 D2144 | L1840-I2142 HydrophobicContact CD1-CD1 3.72Å; L1840-I2142 HydrophobicContact CD1-CG1 4.49Å; L1840-I2142 HydrophobicContact CD2-CD1 3.97Å; L1840-I2142 HydrophobicContact CG-CD1 4.37Å; C2096-I2142 HydrophobicContact CB-CG2 4.47Å; I2127-I2142 HydrophobicContact CB-CG2 4.47Å; I2127-I2142 HydrophobicContact CG2-CD1 4.29Å; I2127-I2142 HydrophobicContact CG2-CG2 3.96Å; N2128-I2142 WeakPolarHBondContact OD1-CG2 3.4Å; S2140-I2142 VanDerWaalsContact C-N 3.31Å; S2140-I2142 PolarHBondContact O-N 3.19Å; I2142-D2144 PolarHBondContact O-N 3.12Å | ||
| 2143 | F | 62.7 | Low | 62.9 | Low | 59 Ų | 59 | 73.7 Ų | 73.7 | 26% | 0.259 | 40% | 0.403 | S | S | . | . | trans | -69.1 | 107.4 | -176.7 | -68.5 | -81.7 | 0 | 0 | 0 | 110.9 | D2089 Y2092 G2093 C2096 K2097 P2141 I2145 I2148 | D2089-F2143 HydrophobicContact CB-CZ 3.92Å; D2089-F2143 VanDerWaalsContact O-CE1 3.24Å; D2089-F2143 WeakPolarHBondContact O-CE1 3.41Å; D2089-F2143 VanDerWaalsContact O-CZ 3.26Å; D2089-F2143 WeakPolarHBondContact O-CZ 3.34Å; Y2092-F2143 AromaticContact CD1-CD1 3.52Å; Y2092-F2143 HydrophobicContact CD1-CD1 3.52Å; Y2092-F2143 AromaticContact CD1-CE1 3.72Å; Y2092-F2143 HydrophobicContact CD1-CE1 3.72Å; Y2092-F2143 AromaticContact CE1-CD1 3.93Å; Y2092-F2143 HydrophobicContact CE1-CD1 3.93Å; G2093-F2143 VanDerWaalsContact CA-CE2 3.46Å; G2093-F2143 WeakPolarHBondContact O-CE2 3.32Å; C2096-F2143 HydrophobicContact CB-CB 3.64Å; C2096-F2143 HydrophobicContact CB-CD1 4.12Å; C2096-F2143 HydrophobicContact CB-CD2 4.09Å; C2096-F2143 HydrophobicContact CB-CG 3.67Å; K2097-F2143 HydrophobicContact CB-CE1 4.5Å; K2097-F2143 HydrophobicContact CB-CZ 4.37Å; K2097-F2143 HydrophobicContact CD-CE1 4.4Å; K2097-F2143 HydrophobicContact CD-CZ 4.13Å; K2097-F2143 HydrophobicContact CG-CD1 4.5Å; K2097-F2143 HydrophobicContact CG-CE1 3.62Å; K2097-F2143 HydrophobicContact CG-CZ 3.77Å; P2141-F2143 VanDerWaalsContact C-N 3.31Å; P2141-F2143 HydrophobicContact CB-CE1 4.16Å; P2141-F2143 HydrophobicContact CB-CE2 4.09Å; P2141-F2143 HydrophobicContact CB-CZ 4.04Å; P2141-F2143 HydrophobicContact CG-CE1 4.45Å; P2141-F2143 HydrophobicContact CG-CE2 3.9Å; P2141-F2143 HydrophobicContact CG-CZ 3.98Å; P2141-F2143 WeakPolarHBondContact O-CD2 3.29Å; P2141-F2143 VanDerWaalsContact O-CE2 3.29Å; P2141-F2143 WeakPolarHBondContact O-CE2 3.4Å; P2141-F2143 PolarHBondContact O-N 3.08Å; P2141-F2143 VanDerWaalsContact O-N 3.16Å; F2143-I2145 VanDerWaalsContact C-N 3.28Å; F2143-I2145 PolarHBondContact O-N 3.23Å; F2143-I2148 HydrophobicContact CB-CD1 4.21Å | ||
| 2144 | D | 68.6 | Low | 65.1 | Low | 47.2 Ų | 47.2 | 71.5 Ų | 71.5 | 25% | 0.252 | 39% | 0.391 | S | S | . | . | trans | -72.3 | 84.3 | 176.9 | -164.4 | -29.7 | 0 | 0 | 0 | 111 | N2128 I2142 S2146 N2147 I2148 | N2128-D2144 VanDerWaalsContact ND2-CA 3.3Å; N2128-D2144 WeakPolarHBondContact ND2-CA 3.31Å; N2128-D2144 WeakPolarHBondContact ND2-CB 3.36Å; N2128-D2144 PolarHBondContact ND2-OD1 3.22Å; N2128-D2144 PolarHBondContact ND2-OD2 3.18Å; N2128-D2144 VanDerWaalsContact ND2-OD2 3.08Å; I2142-D2144 PolarHBondContact O-N 3.12Å; D2144-S2146 PolarHBondContact O-N 3.14Å; D2144-S2146 WeakPolarHBondContact OD1-CA 3.45Å; D2144-S2146 VanDerWaalsContact OD1-CB 3.24Å; D2144-S2146 WeakPolarHBondContact OD1-CB 3.31Å; D2144-S2146 PolarHBondContact OD1-N 2.98Å; D2144-S2146 VanDerWaalsContact OD1-N 3.12Å; D2144-N2147 HydrophobicContact CB-CB 4.05Å; D2144-N2147 VanDerWaalsContact CG-CG 3.42Å; D2144-N2147 VanDerWaalsContact CG-ND2 3.27Å; D2144-N2147 PolarHBondContact O-N 3.37Å; D2144-N2147 VanDerWaalsContact O-N 3.11Å; D2144-N2147 WeakPolarHBondContact OD1-CB 3.49Å; D2144-N2147 PolarHBondContact OD1-N 3.33Å; D2144-N2147 VanDerWaalsContact OD1-N 3.09Å; D2144-N2147 PolarHBondContact OD2-ND2 3.19Å; D2144-I2148 VanDerWaalsContact O-CG1 3.31Å; D2144-I2148 WeakPolarHBondContact O-CG1 3.38Å; D2144-I2148 PolarHBondContact O-N 3.21Å | ||
| 2145 | I | 80.7 | Confident | 67.6 | Low | 5.6 Ų | 5.6 | 65.4 Ų | 65.4 | 3% | 0.029 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.8 | -34.6 | 179.3 | -69.4 | 138.3 | 0 | 0 | 0 | 110.7 | Y2092 L2114 I2118 L2124 M2125 F2143 N2147 I2148 V2149 | Y2092-I2145 HydrophobicContact CE1-CD1 3.9Å; Y2092-I2145 HydrophobicContact CE1-CG1 4.25Å; Y2092-I2145 WeakPolarHBondContact OH-CD1 3.39Å; Y2092-I2145 VanDerWaalsContact OH-CG1 3.25Å; Y2092-I2145 WeakPolarHBondContact OH-CG1 3.38Å; L2114-I2145 HydrophobicContact CB-CD1 4.45Å; L2114-I2145 HydrophobicContact CD1-CD1 4.2Å; L2114-I2145 HydrophobicContact CD2-CD1 4.13Å; L2114-I2145 HydrophobicContact CG-CD1 4.49Å; I2118-I2145 HydrophobicContact CD1-CD1 3.95Å; I2118-I2145 HydrophobicContact CD1-CG2 4.27Å; L2124-I2145 HydrophobicContact CB-CD1 4.39Å; L2124-I2145 WeakPolarHBondContact O-CD1 3.2Å; M2125-I2145 HydrophobicContact CE-CB 4.24Å; M2125-I2145 HydrophobicContact CE-CG2 4.01Å; M2125-I2145 HydrophobicContact CG-CG2 4.37Å; M2125-I2145 HydrophobicContact SD-CB 4.09Å; M2125-I2145 HydrophobicContact SD-CD1 4.37Å; M2125-I2145 HydrophobicContact SD-CG1 4.08Å; M2125-I2145 HydrophobicContact SD-CG2 3.47Å; M2125-I2145 VanDerWaalsContact SD-CG2 3.5Å; M2125-I2145 WeakPolarHBondContact SD-CG2 3.44Å; F2143-I2145 VanDerWaalsContact C-N 3.28Å; F2143-I2145 PolarHBondContact O-N 3.23Å; I2145-N2147 VanDerWaalsContact C-N 3.34Å; I2145-N2147 PolarHBondContact O-N 3.01Å; I2145-I2148 PolarHBondContact O-N 3.22Å; I2145-V2149 HydrophobicContact CG1-CG2 4.21Å; I2145-V2149 HydrophobicContact CG2-CG2 4.04Å; I2145-V2149 VanDerWaalsContact O-CB 3.29Å; I2145-V2149 WeakPolarHBondContact O-CB 3.28Å; I2145-V2149 VanDerWaalsContact O-CG2 3.22Å; I2145-V2149 WeakPolarHBondContact O-CG2 3.34Å; I2145-V2149 PolarHBondContact O-N 3Å |
| 2146 | S | 79.4 | Confident | 70.2 | Confident | 9.8 Ų | 9.8 | 62.9 Ų | 62.9 | 7% | 0.069 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 179.3 | -125.2 | 0 | 0 | 0 | 0 | 111.2 | D2144 V2149 R2150 Y2182 | D2144-S2146 PolarHBondContact O-N 3.14Å; D2144-S2146 WeakPolarHBondContact OD1-CA 3.45Å; D2144-S2146 VanDerWaalsContact OD1-CB 3.24Å; D2144-S2146 WeakPolarHBondContact OD1-CB 3.31Å; D2144-S2146 PolarHBondContact OD1-N 2.98Å; D2144-S2146 VanDerWaalsContact OD1-N 3.12Å; S2146-V2149 PolarHBondContact O-N 2.98Å; S2146-R2150 WeakPolarHBondContact O-CB 3.41Å; S2146-R2150 VanDerWaalsContact O-CG 3.28Å; S2146-R2150 WeakPolarHBondContact O-CG 3.45Å; S2146-R2150 PolarHBondContact O-N 3.15Å; S2146-R2150 VanDerWaalsContact OG-CZ 3.26Å; S2146-R2150 PolarHBondContact OG-NH1 2.81Å; S2146-R2150 PolarHBondContact OG-NH2 3.38Å; S2146-Y2182 PolarHBondContact OG-OH 3.1Å |
| 2147 | N | 80.9 | Confident | 72.9 | Confident | 88.2 Ų | 88.2 | 59.9 Ų | 59.9 | 47% | 0.472 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.9 | -39.6 | 174.2 | -69.2 | -18.9 | 0 | 0 | 0 | 112.6 | D2144 I2145 V2149 R2150 A2151 | D2144-N2147 HydrophobicContact CB-CB 4.05Å; D2144-N2147 VanDerWaalsContact CG-CG 3.42Å; D2144-N2147 VanDerWaalsContact CG-ND2 3.27Å; D2144-N2147 PolarHBondContact O-N 3.37Å; D2144-N2147 VanDerWaalsContact O-N 3.11Å; D2144-N2147 WeakPolarHBondContact OD1-CB 3.49Å; D2144-N2147 PolarHBondContact OD1-N 3.33Å; D2144-N2147 VanDerWaalsContact OD1-N 3.09Å; D2144-N2147 PolarHBondContact OD2-ND2 3.19Å; I2145-N2147 VanDerWaalsContact C-N 3.34Å; I2145-N2147 PolarHBondContact O-N 3.01Å; N2147-V2149 VanDerWaalsContact C-N 3.31Å; N2147-V2149 PolarHBondContact O-N 3.2Å; N2147-R2150 PolarHBondContact O-N 3.1Å; N2147-A2151 VanDerWaalsContact O-CB 3.31Å; N2147-A2151 WeakPolarHBondContact O-CB 3.27Å; N2147-A2151 PolarHBondContact O-N 3.13Å |
| 2148 | I | 84.7 | Confident | 75.7 | Confident | 32 Ų | 32 | 55.7 Ų | 55.7 | 16% | 0.164 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57 | -49.4 | 174.5 | -68.5 | 168.7 | 0 | 0 | 0 | 109.6 | C2096 A2099 L2111 F2143 D2144 I2145 A2151 R2152 | C2096-I2148 HydrophobicContact CB-CD1 3.92Å; A2099-I2148 HydrophobicContact CB-CG2 3.78Å; L2111-I2148 HydrophobicContact CD2-CG2 4.47Å; F2143-I2148 HydrophobicContact CB-CD1 4.21Å; D2144-I2148 VanDerWaalsContact O-CG1 3.31Å; D2144-I2148 WeakPolarHBondContact O-CG1 3.38Å; D2144-I2148 PolarHBondContact O-N 3.21Å; I2145-I2148 PolarHBondContact O-N 3.22Å; I2148-A2151 PolarHBondContact O-N 3.17Å; I2148-R2152 HydrophobicContact CG2-CG 4.31Å; I2148-R2152 WeakPolarHBondContact O-CB 3.38Å; I2148-R2152 VanDerWaalsContact O-CG 3.26Å; I2148-R2152 WeakPolarHBondContact O-CG 3.27Å; I2148-R2152 PolarHBondContact O-N 3.34Å |
| 2149 | V | 87.1 | Confident | 78.5 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.2 | -45.5 | -178.6 | 168.8 | 0 | 0 | 0 | 0 | 111.4 | M2125 I2145 S2146 N2147 A2151 R2152 L2153 L2167 I2168 | M2125-V2149 HydrophobicContact CE-CB 4.39Å; M2125-V2149 HydrophobicContact CE-CG2 4.13Å; I2145-V2149 HydrophobicContact CG1-CG2 4.21Å; I2145-V2149 HydrophobicContact CG2-CG2 4.04Å; I2145-V2149 VanDerWaalsContact O-CB 3.29Å; I2145-V2149 WeakPolarHBondContact O-CB 3.28Å; I2145-V2149 VanDerWaalsContact O-CG2 3.22Å; I2145-V2149 WeakPolarHBondContact O-CG2 3.34Å; I2145-V2149 PolarHBondContact O-N 3Å; S2146-V2149 PolarHBondContact O-N 2.98Å; N2147-V2149 VanDerWaalsContact C-N 3.31Å; N2147-V2149 PolarHBondContact O-N 3.2Å; V2149-A2151 VanDerWaalsContact C-N 3.34Å; V2149-A2151 PolarHBondContact O-N 3.18Å; V2149-R2152 PolarHBondContact O-N 3.22Å; V2149-R2152 VanDerWaalsContact O-N 3.16Å; V2149-L2153 WeakPolarHBondContact O-CG 3.37Å; V2149-L2153 PolarHBondContact O-N 3.04Å; V2149-L2167 HydrophobicContact CG1-CD2 4.45Å; V2149-L2167 HydrophobicContact CG2-CD1 3.98Å; V2149-L2167 HydrophobicContact CG2-CD2 3.67Å; V2149-L2167 HydrophobicContact CG2-CG 4.43Å; V2149-I2168 HydrophobicContact CG1-CD1 3.29Å; V2149-I2168 VanDerWaalsContact CG1-CD1 3.42Å; V2149-I2168 HydrophobicContact CG1-CG1 3.34Å; V2149-I2168 VanDerWaalsContact CG1-CG1 3.42Å |
| 2150 | R | 86.6 | Confident | 81.3 | Confident | 68.8 Ų | 68.8 | 48.8 Ų | 48.8 | 26% | 0.26 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 175.1 | -74.1 | -178.1 | -173.8 | 100.6 | 7.1 | 112 | S2146 N2147 R2152 L2153 E2181 | S2146-R2150 WeakPolarHBondContact O-CB 3.41Å; S2146-R2150 VanDerWaalsContact O-CG 3.28Å; S2146-R2150 WeakPolarHBondContact O-CG 3.45Å; S2146-R2150 PolarHBondContact O-N 3.15Å; S2146-R2150 VanDerWaalsContact OG-CZ 3.26Å; S2146-R2150 PolarHBondContact OG-NH1 2.81Å; S2146-R2150 PolarHBondContact OG-NH2 3.38Å; N2147-R2150 PolarHBondContact O-N 3.1Å; R2150-R2152 VanDerWaalsContact C-N 3.33Å; R2150-R2152 PolarHBondContact O-N 3.22Å; R2150-L2153 PolarHBondContact O-N 3.01Å; R2150-E2181 IonicContact CZ-OE1 3.2Å; R2150-E2181 VanDerWaalsContact NH2-CG 3.31Å; R2150-E2181 IonicContact NH2-OE1 3.51Å; R2150-E2181 PolarHBondContact NH2-OE1 3.17Å |
| 2151 | A | 87.9 | Confident | 83.8 | Confident | 51.6 Ų | 51.6 | 47.9 Ų | 47.9 | 43% | 0.426 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N2147 I2148 V2149 L2154 | N2147-A2151 VanDerWaalsContact O-CB 3.31Å; N2147-A2151 WeakPolarHBondContact O-CB 3.27Å; N2147-A2151 PolarHBondContact O-N 3.13Å; I2148-A2151 PolarHBondContact O-N 3.17Å; V2149-A2151 VanDerWaalsContact C-N 3.34Å; V2149-A2151 PolarHBondContact O-N 3.18Å; A2151-L2154 PolarHBondContact O-N 2.92Å |
| 2152 | R | 92.5 | Very high | 86.1 | Confident | 54.8 Ų | 54.8 | 45.7 Ų | 45.7 | 21% | 0.207 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -78.3 | -18.1 | -179.3 | -64.8 | -54.6 | 121.3 | 175.9 | 6 | 114.5 | A2099 L2111 I2148 V2149 R2150 L2154 D2155 V2160 A2164 | A2099-R2152 VanDerWaalsContact O-CD 3.3Å; A2099-R2152 WeakPolarHBondContact O-CD 3.27Å; A2099-R2152 PolarHBondContact O-NE 2.99Å; A2099-R2152 VanDerWaalsContact O-NE 3.11Å; A2099-R2152 PolarHBondContact O-NH1 2.8Å; L2111-R2152 HydrophobicContact CD1-CB 3.92Å; L2111-R2152 HydrophobicContact CD1-CG 4.09Å; L2111-R2152 HydrophobicContact CD2-CB 4.43Å; L2111-R2152 HydrophobicContact CD2-CG 4.29Å; I2148-R2152 HydrophobicContact CG2-CG 4.31Å; I2148-R2152 WeakPolarHBondContact O-CB 3.38Å; I2148-R2152 VanDerWaalsContact O-CG 3.26Å; I2148-R2152 WeakPolarHBondContact O-CG 3.27Å; I2148-R2152 PolarHBondContact O-N 3.34Å; V2149-R2152 PolarHBondContact O-N 3.22Å; V2149-R2152 VanDerWaalsContact O-N 3.16Å; R2150-R2152 VanDerWaalsContact C-N 3.33Å; R2150-R2152 PolarHBondContact O-N 3.22Å; R2152-L2154 PolarHBondContact O-N 3.11Å; R2152-D2155 WeakPolarHBondContact CD-OD2 3.47Å; R2152-D2155 IonicContact CZ-OD2 3.38Å; R2152-D2155 IonicContact NE-OD2 3.26Å; R2152-D2155 IonicContact NH1-OD2 3.27Å; R2152-D2155 PolarHBondContact NH1-OD2 3.27Å; R2152-D2155 VanDerWaalsContact O-CB 3.28Å; R2152-D2155 WeakPolarHBondContact O-CB 3.35Å; R2152-D2155 PolarHBondContact O-N 3.22Å; R2152-V2160 HydrophobicContact CB-CG1 4.13Å; R2152-V2160 HydrophobicContact CG-CG1 4.34Å; R2152-A2164 HydrophobicContact CB-CB 4.05Å |
| 2153 | L | 92.1 | Very high | 88.2 | Confident | 0.2 Ų | 0.2 | 42.4 Ų | 42.4 | 0% | 0.001 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.7 | -23 | 168.6 | -74 | 172.9 | 0 | 0 | 0 | 112.8 | V2149 R2150 R2161 A2164 V2165 I2168 V2185 R2189 | V2149-L2153 WeakPolarHBondContact O-CG 3.37Å; V2149-L2153 PolarHBondContact O-N 3.04Å; R2150-L2153 PolarHBondContact O-N 3.01Å; L2153-R2161 WeakPolarHBondContact O-CD 3.33Å; L2153-R2161 WeakPolarHBondContact O-CG 3.34Å; L2153-A2164 HydrophobicContact CD2-CB 3.87Å; L2153-A2164 HydrophobicContact CG-CB 4.19Å; L2153-V2165 HydrophobicContact CD2-CG2 3.57Å; L2153-I2168 HydrophobicContact CD1-CD1 3.56Å; L2153-I2168 HydrophobicContact CD2-CD1 4.02Å; L2153-I2168 HydrophobicContact CG-CD1 4.07Å; L2153-V2185 HydrophobicContact CB-CG1 4.25Å; L2153-V2185 HydrophobicContact CD1-CB 4.02Å; L2153-V2185 HydrophobicContact CD1-CG1 3.41Å; L2153-V2185 VanDerWaalsContact CD1-CG1 3.42Å; L2153-V2185 HydrophobicContact CG-CG1 4.49Å; L2153-R2189 HydrophobicContact CD2-CG 4.44Å |
| 2154 | L | 90.8 | Very high | 89.8 | Confident | 107.6 Ų | 107.6 | 39.6 Ų | 39.6 | 56% | 0.563 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | 14 | 178 | -59.4 | 178 | 0 | 0 | 0 | 112.7 | A2151 R2152 | A2151-L2154 PolarHBondContact O-N 2.92Å; R2152-L2154 PolarHBondContact O-N 3.11Å |
| 2155 | D | 93.8 | Very high | 91 | Very high | 13 Ų | 13 | 37.4 Ų | 37.4 | 7% | 0.07 | 20% | 0.203 | C | C | . | . | trans | -64.2 | 149.7 | -178.2 | -158.7 | -79.4 | 0 | 0 | 0 | 112.3 | R2107 R2152 S2157 V2160 R2161 | R2107-D2155 IonicContact CZ-OD1 3.15Å; R2107-D2155 IonicContact CZ-OD2 3.19Å; R2107-D2155 IonicContact NH1-OD1 3.38Å; R2107-D2155 PolarHBondContact NH1-OD1 2.94Å; R2107-D2155 IonicContact NH1-OD2 3.55Å; R2107-D2155 PolarHBondContact NH1-OD2 3.19Å; R2152-D2155 WeakPolarHBondContact CD-OD2 3.47Å; R2152-D2155 IonicContact CZ-OD2 3.38Å; R2152-D2155 IonicContact NE-OD2 3.26Å; R2152-D2155 IonicContact NH1-OD2 3.27Å; R2152-D2155 PolarHBondContact NH1-OD2 3.27Å; R2152-D2155 VanDerWaalsContact O-CB 3.28Å; R2152-D2155 WeakPolarHBondContact O-CB 3.35Å; R2152-D2155 PolarHBondContact O-N 3.22Å; D2155-S2157 VanDerWaalsContact C-N 3.27Å; D2155-S2157 PolarHBondContact O-N 3.2Å; D2155-S2157 PolarHBondContact OD1-N 3.28Å; D2155-V2160 HydrophobicContact CB-CB 4Å; D2155-V2160 HydrophobicContact CB-CG1 3.74Å; D2155-R2161 HydrophobicContact CB-CG 4.04Å; D2155-R2161 WeakPolarHBondContact O-CD 3.33Å; D2155-R2161 VanDerWaalsContact O-CG 3.3Å; D2155-R2161 WeakPolarHBondContact O-CG 3.4Å; D2155-R2161 PolarHBondContact O-NH1 3.22Å | ||
| 2156 | N | 93.5 | Very high | 91.7 | Very high | 161.8 Ų | 161.8 | 37.8 Ų | 37.8 | 87% | 0.865 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -64.4 | -31.9 | 176.8 | -68.7 | -27.4 | 0 | 0 | 0 | 112.6 | R2161 | N2156-R2161 VanDerWaalsContact C-NH1 3.31Å; N2156-R2161 PolarHBondContact O-NH1 3.42Å |
| 2157 | S | 95.2 | Very high | 92.3 | Very high | 22.2 Ų | 22.2 | 37.3 Ų | 37.3 | 16% | 0.155 | 20% | 0.202 | C | C | . | . | trans | -83.3 | 128.2 | -178.4 | 178.2 | 0 | 0 | 0 | 0 | 112.8 | V2104 D2155 A2159 V2160 R2161 | V2104-S2157 WeakPolarHBondContact CG1-OG 3.39Å; D2155-S2157 VanDerWaalsContact C-N 3.27Å; D2155-S2157 PolarHBondContact O-N 3.2Å; D2155-S2157 PolarHBondContact OD1-N 3.28Å; S2157-A2159 VanDerWaalsContact C-N 3.3Å; S2157-A2159 PolarHBondContact O-N 3.25Å; S2157-A2159 PolarHBondContact OG-N 3.19Å; S2157-V2160 PolarHBondContact O-N 3.23Å; S2157-V2160 VanDerWaalsContact O-N 3.14Å; S2157-R2161 WeakPolarHBondContact O-CG 3.39Å; S2157-R2161 PolarHBondContact O-N 3.14Å; S2157-R2161 VanDerWaalsContact O-N 3.1Å | ||
| 2158 | T | 95.3 | Very high | 92.9 | Very high | 61.8 Ų | 61.8 | 33.2 Ų | 33.2 | 38% | 0.379 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -56.8 | -41 | 173.4 | 36.3 | 0 | 0 | 0 | 0 | 112.4 | V2160 R2161 E2162 V2197 | T2158-V2160 VanDerWaalsContact C-N 3.33Å; T2158-V2160 PolarHBondContact O-N 3.13Å; T2158-R2161 PolarHBondContact O-N 2.91Å; T2158-R2161 PolarHBondContact OG1-NH2 3.49Å; T2158-E2162 VanDerWaalsContact O-CB 3.31Å; T2158-E2162 WeakPolarHBondContact O-CB 3.38Å; T2158-E2162 PolarHBondContact O-N 3.02Å; T2158-V2197 HydrophobicContact CG2-CG2 3.74Å; T2158-V2197 WeakPolarHBondContact O-CG2 3.31Å |
| 2159 | A | 95.1 | Very high | 93.2 | Very high | 29.4 Ų | 29.4 | 31.9 Ų | 31.9 | 24% | 0.243 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.6 | -32.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | S2157 A2163 | S2157-A2159 VanDerWaalsContact C-N 3.3Å; S2157-A2159 PolarHBondContact O-N 3.25Å; S2157-A2159 PolarHBondContact OG-N 3.19Å; A2159-A2163 WeakPolarHBondContact O-CB 3.3Å; A2159-A2163 PolarHBondContact O-N 3.34Å; A2159-A2163 VanDerWaalsContact O-N 3.15Å |
| 2160 | V | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -74.3 | -45.9 | 177.2 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | V2104 R2107 L2111 R2152 D2155 S2157 T2158 E2162 A2163 A2164 | V2104-V2160 HydrophobicContact CG1-CG2 4.23Å; R2107-V2160 HydrophobicContact CB-CG1 4.31Å; R2107-V2160 HydrophobicContact CB-CG2 3.9Å; L2111-V2160 HydrophobicContact CD1-CG1 3.67Å; L2111-V2160 WeakPolarHBondContact CD1-O 3.38Å; R2152-V2160 HydrophobicContact CB-CG1 4.13Å; R2152-V2160 HydrophobicContact CG-CG1 4.34Å; D2155-V2160 HydrophobicContact CB-CB 4Å; D2155-V2160 HydrophobicContact CB-CG1 3.74Å; S2157-V2160 PolarHBondContact O-N 3.23Å; S2157-V2160 VanDerWaalsContact O-N 3.14Å; T2158-V2160 VanDerWaalsContact C-N 3.33Å; T2158-V2160 PolarHBondContact O-N 3.13Å; V2160-E2162 VanDerWaalsContact C-N 3.32Å; V2160-E2162 PolarHBondContact O-N 2.98Å; V2160-A2163 PolarHBondContact O-N 3.15Å; V2160-A2164 PolarHBondContact O-N 3.08Å |
| 2161 | R | 96.3 | Very high | 93.5 | Very high | 22.4 Ų | 22.4 | 32.8 Ų | 32.8 | 9% | 0.085 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.8 | -43.3 | 174.6 | -64.3 | -163 | -59 | -81.2 | 2.2 | 111.6 | L2153 D2155 N2156 S2157 T2158 A2163 A2164 V2165 D2192 V2197 | L2153-R2161 WeakPolarHBondContact O-CD 3.33Å; L2153-R2161 WeakPolarHBondContact O-CG 3.34Å; D2155-R2161 HydrophobicContact CB-CG 4.04Å; D2155-R2161 WeakPolarHBondContact O-CD 3.33Å; D2155-R2161 VanDerWaalsContact O-CG 3.3Å; D2155-R2161 WeakPolarHBondContact O-CG 3.4Å; D2155-R2161 PolarHBondContact O-NH1 3.22Å; N2156-R2161 VanDerWaalsContact C-NH1 3.31Å; N2156-R2161 PolarHBondContact O-NH1 3.42Å; S2157-R2161 WeakPolarHBondContact O-CG 3.39Å; S2157-R2161 PolarHBondContact O-N 3.14Å; S2157-R2161 VanDerWaalsContact O-N 3.1Å; T2158-R2161 PolarHBondContact O-N 2.91Å; T2158-R2161 PolarHBondContact OG1-NH2 3.49Å; R2161-A2163 PolarHBondContact O-N 3.2Å; R2161-A2164 WeakPolarHBondContact O-CB 3.15Å; R2161-A2164 PolarHBondContact O-N 3Å; R2161-V2165 WeakPolarHBondContact O-CG2 3.28Å; R2161-V2165 PolarHBondContact O-N 3.21Å; R2161-D2192 IonicContact CZ-OD1 3.34Å; R2161-D2192 IonicContact CZ-OD2 3.63Å; R2161-D2192 IonicContact NE-OD1 3.12Å; R2161-D2192 PolarHBondContact NE-OD1 3.26Å; R2161-D2192 IonicContact NE-OD2 3.4Å; R2161-D2192 PolarHBondContact NE-OD2 3.05Å; R2161-D2192 IonicContact NH2-OD1 3.19Å; R2161-D2192 PolarHBondContact NH2-OD1 3.11Å; R2161-D2192 IonicContact NH2-OD2 3.36Å; R2161-V2197 HydrophobicContact CB-CG1 4.32Å; R2161-V2197 HydrophobicContact CB-CG2 3.89Å |
| 2162 | E | 96.6 | Very high | 93.5 | Very high | 51.2 Ų | 51.2 | 30.3 Ų | 30.3 | 24% | 0.239 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.2 | -46 | 176.8 | -176.2 | -173.9 | 167.3 | 0 | 0 | 111.8 | T2158 V2160 A2164 V2165 D2166 S2196 V2197 R2200 | T2158-E2162 VanDerWaalsContact O-CB 3.31Å; T2158-E2162 WeakPolarHBondContact O-CB 3.38Å; T2158-E2162 PolarHBondContact O-N 3.02Å; V2160-E2162 VanDerWaalsContact C-N 3.32Å; V2160-E2162 PolarHBondContact O-N 2.98Å; E2162-A2164 VanDerWaalsContact C-N 3.32Å; E2162-A2164 PolarHBondContact O-N 3.06Å; E2162-V2165 PolarHBondContact O-N 3.17Å; E2162-D2166 WeakPolarHBondContact O-CB 3.1Å; E2162-D2166 PolarHBondContact O-N 3.24Å; E2162-S2196 WeakPolarHBondContact OE2-CB 3.39Å; E2162-S2196 PolarHBondContact OE2-OG 3.1Å; E2162-V2197 HydrophobicContact CB-CG2 4.09Å; E2162-R2200 HydrophobicContact CG-CB 4.24Å; E2162-R2200 HydrophobicContact CG-CG 4.49Å; E2162-R2200 IonicContact OE1-NE 3.67Å; E2162-R2200 IonicContact OE1-NH2 3.78Å; E2162-R2200 PolarHBondContact OE1-NH2 3.28Å |
| 2163 | A | 95.8 | Very high | 93.1 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.7 | -34.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S2108 L2111 R2112 A2159 V2160 R2161 D2166 L2167 | S2108-A2163 WeakPolarHBondContact O-CB 3.29Å; L2111-A2163 HydrophobicContact CB-CB 3.76Å; L2111-A2163 HydrophobicContact CD1-CB 4.13Å; R2112-A2163 HydrophobicContact CG-CB 4.1Å; A2159-A2163 WeakPolarHBondContact O-CB 3.3Å; A2159-A2163 PolarHBondContact O-N 3.34Å; A2159-A2163 VanDerWaalsContact O-N 3.15Å; V2160-A2163 PolarHBondContact O-N 3.15Å; R2161-A2163 PolarHBondContact O-N 3.2Å; A2163-D2166 VanDerWaalsContact O-CB 3.32Å; A2163-D2166 WeakPolarHBondContact O-CB 3.48Å; A2163-D2166 PolarHBondContact O-N 2.99Å; A2163-L2167 PolarHBondContact O-N 3.25Å; A2163-L2167 VanDerWaalsContact O-N 3.14Å |
| 2164 | A | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.7 | -42.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L2111 R2152 L2153 V2160 R2161 E2162 D2166 L2167 I2168 | L2111-A2164 HydrophobicContact CD1-CB 4.12Å; R2152-A2164 HydrophobicContact CB-CB 4.05Å; L2153-A2164 HydrophobicContact CD2-CB 3.87Å; L2153-A2164 HydrophobicContact CG-CB 4.19Å; V2160-A2164 PolarHBondContact O-N 3.08Å; R2161-A2164 WeakPolarHBondContact O-CB 3.15Å; R2161-A2164 PolarHBondContact O-N 3Å; E2162-A2164 VanDerWaalsContact C-N 3.32Å; E2162-A2164 PolarHBondContact O-N 3.06Å; A2164-D2166 VanDerWaalsContact C-N 3.31Å; A2164-D2166 PolarHBondContact O-N 3.3Å; A2164-L2167 PolarHBondContact O-N 3.25Å; A2164-I2168 WeakPolarHBondContact O-CG1 3.43Å; A2164-I2168 PolarHBondContact O-N 3.17Å; A2164-I2168 VanDerWaalsContact O-N 3.13Å |
| 2165 | V | 95.4 | Very high | 92.4 | Very high | 1.2 Ų | 1.2 | 32.6 Ų | 32.6 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.8 | -40.2 | 174 | 179 | 0 | 0 | 0 | 0 | 111.1 | L2153 R2161 E2162 L2167 I2168 S2169 R2189 V2197 R2200 V2201 | L2153-V2165 HydrophobicContact CD2-CG2 3.57Å; R2161-V2165 WeakPolarHBondContact O-CG2 3.28Å; R2161-V2165 PolarHBondContact O-N 3.21Å; E2162-V2165 PolarHBondContact O-N 3.17Å; V2165-L2167 VanDerWaalsContact C-N 3.34Å; V2165-L2167 PolarHBondContact O-N 3.25Å; V2165-I2168 PolarHBondContact O-N 3.19Å; V2165-S2169 VanDerWaalsContact O-CB 3.27Å; V2165-S2169 WeakPolarHBondContact O-CB 3.28Å; V2165-S2169 PolarHBondContact O-N 3.21Å; V2165-R2189 HydrophobicContact CG2-CG 4.48Å; V2165-V2197 HydrophobicContact CG2-CG1 4.1Å; V2165-R2200 HydrophobicContact CB-CB 4.47Å; V2165-R2200 HydrophobicContact CB-CG 3.96Å; V2165-R2200 HydrophobicContact CG1-CB 4.12Å; V2165-R2200 HydrophobicContact CG1-CG 3.65Å; V2165-V2201 HydrophobicContact CB-CG2 4.46Å; V2165-V2201 HydrophobicContact CG1-CB 4.44Å; V2165-V2201 HydrophobicContact CG1-CG2 3.67Å; V2165-V2201 HydrophobicContact CG2-CG2 4Å |
| 2166 | D | 94.2 | Very high | 91.6 | Very high | 15 Ų | 15 | 32 Ų | 32 | 8% | 0.08 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.7 | -47.2 | 175.4 | -172.7 | 52.6 | 0 | 0 | 0 | 111.8 | E2162 A2163 A2164 I2168 S2169 R2170 R2200 | E2162-D2166 WeakPolarHBondContact O-CB 3.1Å; E2162-D2166 PolarHBondContact O-N 3.24Å; A2163-D2166 VanDerWaalsContact O-CB 3.32Å; A2163-D2166 WeakPolarHBondContact O-CB 3.48Å; A2163-D2166 PolarHBondContact O-N 2.99Å; A2164-D2166 VanDerWaalsContact C-N 3.31Å; A2164-D2166 PolarHBondContact O-N 3.3Å; D2166-I2168 PolarHBondContact O-N 3.14Å; D2166-S2169 WeakPolarHBondContact O-CB 3.41Å; D2166-S2169 PolarHBondContact O-N 3.13Å; D2166-R2170 WeakPolarHBondContact O-CG 3.34Å; D2166-R2170 PolarHBondContact O-N 3.23Å; D2166-R2170 VanDerWaalsContact O-N 3.07Å; D2166-R2170 IonicContact OD1-CZ 3.74Å; D2166-R2170 IonicContact OD1-NE 3.23Å; D2166-R2170 PolarHBondContact OD1-NE 3.11Å; D2166-R2170 IonicContact OD1-NH2 3.41Å; D2166-R2170 PolarHBondContact OD1-NH2 3Å; D2166-R2170 IonicContact OD2-CZ 3.2Å; D2166-R2170 IonicContact OD2-NE 3.42Å; D2166-R2170 PolarHBondContact OD2-NE 3.16Å; D2166-R2170 VanDerWaalsContact OD2-NE 3.16Å; D2166-R2170 IonicContact OD2-NH2 3.17Å; D2166-R2170 PolarHBondContact OD2-NH2 3.19Å; D2166-R2200 HydrophobicContact CB-CG 4.41Å; D2166-R2200 VanDerWaalsContact CG-CZ 3.43Å; D2166-R2200 VanDerWaalsContact CG-NH1 3.32Å; D2166-R2200 WeakPolarHBondContact OD1-CD 3.23Å; D2166-R2200 IonicContact OD1-CZ 2.98Å; D2166-R2200 VanDerWaalsContact OD1-CZ 3.24Å; D2166-R2200 IonicContact OD1-NE 3.65Å; D2166-R2200 PolarHBondContact OD1-NE 3.39Å; D2166-R2200 IonicContact OD1-NH1 3.18Å; D2166-R2200 PolarHBondContact OD1-NH1 3.29Å; D2166-R2200 IonicContact OD1-NH2 3.07Å; D2166-R2200 PolarHBondContact OD1-NH2 3.27Å; D2166-R2200 IonicContact OD2-NH1 3.01Å; D2166-R2200 IonicContact OD2-NH2 2.98Å; D2166-R2200 PolarHBondContact OD2-NH2 3.35Å |
| 2167 | L | 93.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.2 | -50 | 177.5 | -177.1 | 161 | 0 | 0 | 0 | 111.6 | L2111 L2114 A2115 I2118 M2125 V2149 A2163 A2164 V2165 S2169 R2170 Y2171 | L2111-L2167 HydrophobicContact CD2-CD1 4.23Å; L2114-L2167 HydrophobicContact CB-CD1 3.58Å; L2114-L2167 HydrophobicContact CD1-CD1 4.46Å; A2115-L2167 HydrophobicContact CB-CB 3.99Å; A2115-L2167 HydrophobicContact CB-CG 4.23Å; I2118-L2167 HydrophobicContact CD1-CD1 4.06Å; I2118-L2167 HydrophobicContact CD1-CD2 3.58Å; I2118-L2167 HydrophobicContact CD1-CG 3.77Å; M2125-L2167 HydrophobicContact CE-CD2 4.38Å; M2125-L2167 HydrophobicContact SD-CD2 4.43Å; V2149-L2167 HydrophobicContact CG1-CD2 4.45Å; V2149-L2167 HydrophobicContact CG2-CD1 3.98Å; V2149-L2167 HydrophobicContact CG2-CD2 3.67Å; V2149-L2167 HydrophobicContact CG2-CG 4.43Å; A2163-L2167 PolarHBondContact O-N 3.25Å; A2163-L2167 VanDerWaalsContact O-N 3.14Å; A2164-L2167 PolarHBondContact O-N 3.25Å; V2165-L2167 VanDerWaalsContact C-N 3.34Å; V2165-L2167 PolarHBondContact O-N 3.25Å; L2167-S2169 VanDerWaalsContact C-N 3.33Å; L2167-S2169 PolarHBondContact O-N 3.28Å; L2167-R2170 PolarHBondContact O-N 3.12Å; L2167-Y2171 PolarHBondContact O-N 3.16Å; L2167-Y2171 VanDerWaalsContact O-N 3.1Å |
| 2168 | I | 91.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.3 | -40.7 | 179.8 | -62 | 170.2 | 0 | 0 | 0 | 111.2 | V2149 L2153 A2164 V2165 D2166 R2170 Y2171 L2172 Y2182 I2186 | V2149-I2168 HydrophobicContact CG1-CD1 3.29Å; V2149-I2168 VanDerWaalsContact CG1-CD1 3.42Å; V2149-I2168 HydrophobicContact CG1-CG1 3.34Å; V2149-I2168 VanDerWaalsContact CG1-CG1 3.42Å; L2153-I2168 HydrophobicContact CD1-CD1 3.56Å; L2153-I2168 HydrophobicContact CD2-CD1 4.02Å; L2153-I2168 HydrophobicContact CG-CD1 4.07Å; A2164-I2168 WeakPolarHBondContact O-CG1 3.43Å; A2164-I2168 PolarHBondContact O-N 3.17Å; A2164-I2168 VanDerWaalsContact O-N 3.13Å; V2165-I2168 PolarHBondContact O-N 3.19Å; D2166-I2168 PolarHBondContact O-N 3.14Å; I2168-R2170 VanDerWaalsContact C-N 3.31Å; I2168-R2170 PolarHBondContact O-N 3.05Å; I2168-Y2171 WeakPolarHBondContact O-CB 3.37Å; I2168-Y2171 PolarHBondContact O-N 3.18Å; I2168-Y2171 VanDerWaalsContact O-N 3.16Å; I2168-L2172 HydrophobicContact CG2-CD1 3.58Å; I2168-L2172 HydrophobicContact CG2-CG 3.83Å; I2168-L2172 WeakPolarHBondContact O-CB 3.32Å; I2168-L2172 WeakPolarHBondContact O-CG 3.33Å; I2168-L2172 PolarHBondContact O-N 2.97Å; I2168-Y2182 HydrophobicContact CD1-CD1 4.21Å; I2168-Y2182 HydrophobicContact CD1-CE1 4.44Å; I2168-Y2182 HydrophobicContact CG1-CD1 4.4Å; I2168-Y2182 HydrophobicContact CG2-CD1 4.35Å; I2168-Y2182 HydrophobicContact CG2-CG 4.18Å; I2168-I2186 HydrophobicContact CB-CD1 4.43Å; I2168-I2186 HydrophobicContact CD1-CG1 4.43Å; I2168-I2186 HydrophobicContact CG2-CD1 3.49Å; I2168-I2186 VanDerWaalsContact CG2-CD1 3.46Å; I2168-I2186 HydrophobicContact CG2-CG1 4.23Å |
| 2169 | S | 91.4 | Very high | 89.5 | Confident | 4.4 Ų | 4.4 | 27.7 Ų | 27.7 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -54.5 | -48.9 | 178.1 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | V2165 D2166 L2167 L2172 T2173 R2200 C2204 | V2165-S2169 VanDerWaalsContact O-CB 3.27Å; V2165-S2169 WeakPolarHBondContact O-CB 3.28Å; V2165-S2169 PolarHBondContact O-N 3.21Å; D2166-S2169 WeakPolarHBondContact O-CB 3.41Å; D2166-S2169 PolarHBondContact O-N 3.13Å; L2167-S2169 VanDerWaalsContact C-N 3.33Å; L2167-S2169 PolarHBondContact O-N 3.28Å; S2169-L2172 PolarHBondContact O-N 2.95Å; S2169-T2173 WeakPolarHBondContact O-CB 3.27Å; S2169-T2173 PolarHBondContact O-N 3.25Å; S2169-T2173 PolarHBondContact O-OG1 3.27Å; S2169-R2200 PolarHBondContact OG-NH2 3.04Å; S2169-C2204 WeakPolarHBondContact OG-CA 3.3Å; S2169-C2204 VanDerWaalsContact OG-CB 3.27Å; S2169-C2204 WeakPolarHBondContact OG-CB 3.36Å |
| 2170 | R | 90.6 | Very high | 88.8 | Confident | 84.2 Ų | 84.2 | 29.5 Ų | 29.5 | 32% | 0.318 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -65 | -43.9 | 177.7 | -64.3 | -170.8 | -155.7 | -153.2 | 0.5 | 112.6 | D2119 D2166 L2167 I2168 L2172 T2173 L2174 | D2119-R2170 VanDerWaalsContact OD1-CB 3.32Å; D2119-R2170 WeakPolarHBondContact OD1-CB 3.41Å; D2119-R2170 VanDerWaalsContact OD1-CD 3.27Å; D2119-R2170 WeakPolarHBondContact OD1-CD 3.36Å; D2119-R2170 WeakPolarHBondContact OD2-CD 3.35Å; D2119-R2170 IonicContact OD2-CZ 3.07Å; D2119-R2170 IonicContact OD2-NE 3.37Å; D2119-R2170 IonicContact OD2-NH1 3.06Å; D2119-R2170 PolarHBondContact OD2-NH1 3.32Å; D2166-R2170 WeakPolarHBondContact O-CG 3.34Å; D2166-R2170 PolarHBondContact O-N 3.23Å; D2166-R2170 VanDerWaalsContact O-N 3.07Å; D2166-R2170 IonicContact OD1-CZ 3.74Å; D2166-R2170 IonicContact OD1-NE 3.23Å; D2166-R2170 PolarHBondContact OD1-NE 3.11Å; D2166-R2170 IonicContact OD1-NH2 3.41Å; D2166-R2170 PolarHBondContact OD1-NH2 3Å; D2166-R2170 IonicContact OD2-CZ 3.2Å; D2166-R2170 IonicContact OD2-NE 3.42Å; D2166-R2170 PolarHBondContact OD2-NE 3.16Å; D2166-R2170 VanDerWaalsContact OD2-NE 3.16Å; D2166-R2170 IonicContact OD2-NH2 3.17Å; D2166-R2170 PolarHBondContact OD2-NH2 3.19Å; L2167-R2170 PolarHBondContact O-N 3.12Å; I2168-R2170 VanDerWaalsContact C-N 3.31Å; I2168-R2170 PolarHBondContact O-N 3.05Å; R2170-L2172 PolarHBondContact O-N 3.1Å; R2170-T2173 WeakPolarHBondContact O-CB 3.29Å; R2170-T2173 PolarHBondContact O-N 3.02Å; R2170-L2174 WeakPolarHBondContact O-CG 3.41Å; R2170-L2174 PolarHBondContact O-N 2.97Å; R2170-L2174 VanDerWaalsContact O-N 3.12Å |
| 2171 | Y | 90 | Very high | 88.1 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.3 | -47.4 | 176.6 | 176.5 | -111.9 | 0 | 0 | 0 | 112.4 | I2118 P2122 M2125 S2126 L2167 I2168 T2173 L2174 R2175 F2178 Y2182 | I2118-Y2171 HydrophobicContact CG2-CD2 3.92Å; I2118-Y2171 HydrophobicContact CG2-CG 4.46Å; P2122-Y2171 HydrophobicContact CB-CD2 4.34Å; P2122-Y2171 HydrophobicContact CB-CE2 4.35Å; M2125-Y2171 HydrophobicContact CB-CD2 3.89Å; M2125-Y2171 HydrophobicContact CB-CE1 4.4Å; M2125-Y2171 HydrophobicContact CB-CE2 3.41Å; M2125-Y2171 VanDerWaalsContact CB-CE2 3.43Å; M2125-Y2171 HydrophobicContact CG-CD1 4.18Å; M2125-Y2171 HydrophobicContact CG-CD2 4.07Å; M2125-Y2171 HydrophobicContact CG-CE1 3.93Å; M2125-Y2171 HydrophobicContact CG-CE2 3.81Å; M2125-Y2171 HydrophobicContact CG-CG 4.24Å; S2126-Y2171 PolarHBondContact OG-OH 2.97Å; L2167-Y2171 PolarHBondContact O-N 3.16Å; L2167-Y2171 VanDerWaalsContact O-N 3.1Å; I2168-Y2171 WeakPolarHBondContact O-CB 3.37Å; I2168-Y2171 PolarHBondContact O-N 3.18Å; I2168-Y2171 VanDerWaalsContact O-N 3.16Å; Y2171-T2173 VanDerWaalsContact C-N 3.32Å; Y2171-T2173 PolarHBondContact O-N 3.34Å; Y2171-L2174 PolarHBondContact O-N 3.19Å; Y2171-R2175 HydrophobicContact CE2-CB 4.26Å; Y2171-R2175 HydrophobicContact CE2-CG 4.26Å; Y2171-R2175 PolarHBondContact O-N 3.16Å; Y2171-F2178 HydrophobicContact CE1-CB 3.85Å; Y2171-F2178 AromaticContact CE1-CD2 3.97Å; Y2171-F2178 HydrophobicContact CE1-CD2 3.98Å; Y2171-F2178 HydrophobicContact CE1-CG 4.09Å; Y2171-F2178 AromaticContact CZ-CD2 3.67Å; Y2171-F2178 WeakPolarHBondContact OH-CD2 3.35Å; Y2171-F2178 VanDerWaalsContact OH-CE2 3.26Å; Y2171-F2178 WeakPolarHBondContact OH-CE2 3.3Å; Y2171-F2178 WeakPolarHBondContact OH-CG 3.23Å; Y2171-Y2182 HydrophobicContact CD1-CE2 4.27Å; Y2171-Y2182 AromaticContact CE1-CE2 3.93Å; Y2171-Y2182 HydrophobicContact CE1-CE2 3.93Å |
| 2172 | L | 88.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70 | -29.6 | -179.3 | -67.6 | 179.6 | 0 | 0 | 0 | 112.6 | I2168 S2169 R2170 L2174 R2175 P2176 F2178 L2179 Y2182 I2186 L2208 | I2168-L2172 HydrophobicContact CG2-CD1 3.58Å; I2168-L2172 HydrophobicContact CG2-CG 3.83Å; I2168-L2172 WeakPolarHBondContact O-CB 3.32Å; I2168-L2172 WeakPolarHBondContact O-CG 3.33Å; I2168-L2172 PolarHBondContact O-N 2.97Å; S2169-L2172 PolarHBondContact O-N 2.95Å; R2170-L2172 PolarHBondContact O-N 3.1Å; L2172-L2174 VanDerWaalsContact C-N 3.31Å; L2172-L2174 PolarHBondContact O-N 2.9Å; L2172-R2175 CarbonylContact O-C 3.47Å; L2172-R2175 VanDerWaalsContact O-C 3.3Å; L2172-R2175 PolarHBondContact O-N 3.1Å; L2172-P2176 WeakPolarHBondContact O-CA 3.46Å; L2172-P2176 WeakPolarHBondContact O-CB 3.48Å; L2172-P2176 WeakPolarHBondContact O-CD 3.31Å; L2172-F2178 HydrophobicContact CD2-CB 4.21Å; L2172-L2179 HydrophobicContact CD1-CD1 3.88Å; L2172-L2179 HydrophobicContact CD2-CB 4.46Å; L2172-Y2182 HydrophobicContact CD2-CD2 4.17Å; L2172-I2186 HydrophobicContact CD1-CD1 3.53Å; L2172-I2186 VanDerWaalsContact CD1-CD1 3.49Å; L2172-L2208 HydrophobicContact CB-CD2 3.98Å; L2172-L2208 HydrophobicContact CD1-CD1 4.29Å |
| 2173 | T | 85 | Confident | 87.2 | Confident | 50.8 Ų | 50.8 | 30 Ų | 30 | 31% | 0.312 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65 | -38.2 | 171.4 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | S2169 R2170 Y2171 | S2169-T2173 WeakPolarHBondContact O-CB 3.27Å; S2169-T2173 PolarHBondContact O-N 3.25Å; S2169-T2173 PolarHBondContact O-OG1 3.27Å; R2170-T2173 WeakPolarHBondContact O-CB 3.29Å; R2170-T2173 PolarHBondContact O-N 3.02Å; Y2171-T2173 VanDerWaalsContact C-N 3.32Å; Y2171-T2173 PolarHBondContact O-N 3.34Å |
| 2174 | L | 83.7 | Confident | 86.8 | Confident | 75 Ų | 75 | 33.3 Ų | 33.3 | 39% | 0.393 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -77.6 | -32.7 | 176.4 | -65.4 | 172.1 | 0 | 0 | 0 | 113 | P2122 R2170 Y2171 L2172 | P2122-L2174 HydrophobicContact CB-CB 4.47Å; P2122-L2174 HydrophobicContact CB-CD1 4.41Å; R2170-L2174 WeakPolarHBondContact O-CG 3.41Å; R2170-L2174 PolarHBondContact O-N 2.97Å; R2170-L2174 VanDerWaalsContact O-N 3.12Å; Y2171-L2174 PolarHBondContact O-N 3.19Å; L2172-L2174 VanDerWaalsContact C-N 3.31Å; L2172-L2174 PolarHBondContact O-N 2.9Å |
| 2175 | R | 82.7 | Confident | 86.4 | Confident | 85 Ų | 85 | 34.7 Ų | 34.7 | 32% | 0.321 | 18% | 0.181 | S | C | . | . | trans | -138.6 | 72.2 | -175.5 | -63.2 | -65.4 | -169 | 124.7 | 1.3 | 111.9 | P2122 Y2171 L2172 Q2177 F2178 | P2122-R2175 HydrophobicContact CB-CG 4.23Å; Y2171-R2175 HydrophobicContact CE2-CB 4.26Å; Y2171-R2175 HydrophobicContact CE2-CG 4.26Å; Y2171-R2175 PolarHBondContact O-N 3.16Å; L2172-R2175 CarbonylContact O-C 3.47Å; L2172-R2175 VanDerWaalsContact O-C 3.3Å; L2172-R2175 PolarHBondContact O-N 3.1Å; R2175-Q2177 VanDerWaalsContact CA-OE1 3.29Å; R2175-Q2177 PolarHBondContact O-N 3.1Å; R2175-Q2177 VanDerWaalsContact O-N 3.13Å; R2175-F2178 HydrophobicContact CB-CD2 3.7Å; R2175-F2178 HydrophobicContact CB-CE2 4.06Å; R2175-F2178 HydrophobicContact CG-CE2 4.44Å; R2175-F2178 PolarHBondContact O-N 3.19Å | ||
| 2176 | P | 78.7 | Confident | 86.2 | Confident | 0.6 Ų | 0.6 | 34.6 Ų | 34.6 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -65.8 | -19.5 | -174.4 | 24.3 | -33.5 | 0 | 0 | 0 | 114 | L2172 F2178 L2179 L2208 W2213 F2216 | L2172-P2176 WeakPolarHBondContact O-CA 3.46Å; L2172-P2176 WeakPolarHBondContact O-CB 3.48Å; L2172-P2176 WeakPolarHBondContact O-CD 3.31Å; P2176-F2178 PolarHBondContact O-N 3.06Å; P2176-F2178 VanDerWaalsContact O-N 3.09Å; P2176-L2179 VanDerWaalsContact O-CB 3.24Å; P2176-L2179 WeakPolarHBondContact O-CB 3.33Å; P2176-L2179 PolarHBondContact O-N 3.32Å; P2176-L2208 HydrophobicContact CB-CD2 4.48Å; P2176-W2213 HydrophobicContact CB-CE3 4.36Å; P2176-W2213 HydrophobicContact CB-CH2 3.76Å; P2176-W2213 HydrophobicContact CB-CZ2 4.25Å; P2176-W2213 HydrophobicContact CB-CZ3 3.92Å; P2176-W2213 WeakPolarHBondContact O-CH2 3.41Å; P2176-W2213 WeakPolarHBondContact O-CZ3 3.28Å; P2176-F2216 VanDerWaalsContact CD-CE1 3.47Å; P2176-F2216 HydrophobicContact CG-CB 4.34Å; P2176-F2216 HydrophobicContact CG-CD1 3.58Å; P2176-F2216 VanDerWaalsContact CG-CD1 3.48Å; P2176-F2216 HydrophobicContact CG-CD2 3.49Å; P2176-F2216 VanDerWaalsContact CG-CD2 3.46Å; P2176-F2216 HydrophobicContact CG-CE1 3.6Å; P2176-F2216 HydrophobicContact CG-CE2 3.51Å; P2176-F2216 VanDerWaalsContact CG-CE2 3.47Å; P2176-F2216 HydrophobicContact CG-CG 3.52Å; P2176-F2216 VanDerWaalsContact CG-CG 3.46Å; P2176-F2216 HydrophobicContact CG-CZ 3.55Å; P2176-F2216 VanDerWaalsContact CG-CZ 3.47Å |
| 2177 | Q | 76.4 | Confident | 86.1 | Confident | 106.6 Ų | 106.6 | 35 Ų | 35 | 50% | 0.498 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -56.1 | -22 | 173.8 | 66 | -135.4 | 50.6 | 0 | 0 | 114.2 | R2175 L2179 | R2175-Q2177 VanDerWaalsContact CA-OE1 3.29Å; R2175-Q2177 PolarHBondContact O-N 3.1Å; R2175-Q2177 VanDerWaalsContact O-N 3.13Å; Q2177-L2179 VanDerWaalsContact C-N 3.32Å |
| 2178 | F | 80.8 | Confident | 86 | Confident | 45.2 Ų | 45.2 | 40.2 Ų | 40.2 | 20% | 0.198 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -91.3 | 5 | 176.7 | -62.3 | -75.5 | 0 | 0 | 0 | 113.5 | Y2171 L2172 R2175 P2176 A2180 E2181 Y2182 | Y2171-F2178 HydrophobicContact CE1-CB 3.85Å; Y2171-F2178 AromaticContact CE1-CD2 3.97Å; Y2171-F2178 HydrophobicContact CE1-CD2 3.98Å; Y2171-F2178 HydrophobicContact CE1-CG 4.09Å; Y2171-F2178 AromaticContact CZ-CD2 3.67Å; Y2171-F2178 WeakPolarHBondContact OH-CD2 3.35Å; Y2171-F2178 VanDerWaalsContact OH-CE2 3.26Å; Y2171-F2178 WeakPolarHBondContact OH-CE2 3.3Å; Y2171-F2178 WeakPolarHBondContact OH-CG 3.23Å; L2172-F2178 HydrophobicContact CD2-CB 4.21Å; R2175-F2178 HydrophobicContact CB-CD2 3.7Å; R2175-F2178 HydrophobicContact CB-CE2 4.06Å; R2175-F2178 HydrophobicContact CG-CE2 4.44Å; R2175-F2178 PolarHBondContact O-N 3.19Å; P2176-F2178 PolarHBondContact O-N 3.06Å; P2176-F2178 VanDerWaalsContact O-N 3.09Å; F2178-A2180 VanDerWaalsContact C-N 3.25Å; F2178-A2180 PolarHBondContact O-N 3.19Å; F2178-E2181 WeakPolarHBondContact O-CB 3.32Å; F2178-E2181 PolarHBondContact O-N 3.3Å; F2178-E2181 VanDerWaalsContact O-N 3.07Å; F2178-Y2182 HydrophobicContact CB-CD2 4.47Å; F2178-Y2182 HydrophobicContact CB-CE2 4.45Å; F2178-Y2182 WeakPolarHBondContact O-CD2 3.39Å |
| 2179 | L | 82.4 | Confident | 86.1 | Confident | 3.2 Ų | 3.2 | 42.1 Ų | 42.1 | 2% | 0.017 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.5 | -43.3 | 178.7 | 176 | 59.5 | 0 | 0 | 0 | 111.5 | L2172 P2176 Q2177 E2181 Y2182 Y2183 L2208 W2213 I2236 | L2172-L2179 HydrophobicContact CD1-CD1 3.88Å; L2172-L2179 HydrophobicContact CD2-CB 4.46Å; P2176-L2179 VanDerWaalsContact O-CB 3.24Å; P2176-L2179 WeakPolarHBondContact O-CB 3.33Å; P2176-L2179 PolarHBondContact O-N 3.32Å; Q2177-L2179 VanDerWaalsContact C-N 3.32Å; L2179-E2181 PolarHBondContact O-N 3.32Å; L2179-E2181 VanDerWaalsContact O-N 3.12Å; L2179-Y2182 PolarHBondContact O-N 3.18Å; L2179-Y2182 VanDerWaalsContact O-N 3.1Å; L2179-Y2183 HydrophobicContact CD1-CD2 4.27Å; L2179-Y2183 WeakPolarHBondContact O-CA 3.29Å; L2179-Y2183 VanDerWaalsContact O-CB 3.24Å; L2179-Y2183 WeakPolarHBondContact O-CB 3.29Å; L2179-Y2183 PolarHBondContact O-N 3.13Å; L2179-L2208 HydrophobicContact CD1-CD1 3.78Å; L2179-L2208 HydrophobicContact CD2-CD1 4.44Å; L2179-W2213 HydrophobicContact CB-CH2 3.86Å; L2179-W2213 HydrophobicContact CD2-CH2 3.4Å; L2179-W2213 VanDerWaalsContact CD2-CH2 3.46Å; L2179-W2213 HydrophobicContact CD2-CZ2 3.61Å; L2179-W2213 HydrophobicContact CD2-CZ3 4.47Å; L2179-W2213 HydrophobicContact CG-CH2 4.27Å; L2179-I2236 HydrophobicContact CD2-CG2 3.75Å; L2179-I2236 HydrophobicContact CG-CG2 4.3Å |
| 2180 | A | 80.6 | Confident | 86.2 | Confident | 67 Ų | 67 | 42.1 Ų | 42.1 | 55% | 0.554 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -56.1 | -31.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F2178 I2236 | F2178-A2180 VanDerWaalsContact C-N 3.25Å; F2178-A2180 PolarHBondContact O-N 3.19Å; A2180-I2236 HydrophobicContact CB-CD1 4.46Å |
| 2181 | E | 81.6 | Confident | 86.3 | Confident | 54.2 Ų | 54.2 | 43.3 Ų | 43.3 | 25% | 0.253 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -76 | -31.3 | -179.4 | 179.2 | 175 | 177.9 | 0 | 0 | 113.3 | K2129 R2150 F2178 L2179 | K2129-E2181 WeakPolarHBondContact CE-OE1 3.48Å; K2129-E2181 WeakPolarHBondContact CE-OE2 3.31Å; K2129-E2181 IonicContact NZ-OE1 2.79Å; K2129-E2181 PolarHBondContact NZ-OE1 3.37Å; K2129-E2181 IonicContact NZ-OE2 3.29Å; K2129-E2181 PolarHBondContact NZ-OE2 3.07Å; R2150-E2181 IonicContact CZ-OE1 3.2Å; R2150-E2181 VanDerWaalsContact NH2-CG 3.31Å; R2150-E2181 IonicContact NH2-OE1 3.51Å; R2150-E2181 PolarHBondContact NH2-OE1 3.17Å; F2178-E2181 WeakPolarHBondContact O-CB 3.32Å; F2178-E2181 PolarHBondContact O-N 3.3Å; F2178-E2181 VanDerWaalsContact O-N 3.07Å; L2179-E2181 PolarHBondContact O-N 3.32Å; L2179-E2181 VanDerWaalsContact O-N 3.12Å |
| 2182 | Y | 85.8 | Confident | 86.5 | Confident | 2.8 Ų | 2.8 | 43.5 Ų | 43.5 | 1% | 0.011 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -105.2 | -13.4 | -177.3 | -64.6 | -83.6 | 0 | 0 | 0 | 113.2 | M2125 S2146 I2168 Y2171 L2172 F2178 L2179 S2184 V2185 I2186 | M2125-Y2182 HydrophobicContact CE-CE1 4.19Å; M2125-Y2182 VanDerWaalsContact CE-OH 3.23Å; M2125-Y2182 WeakPolarHBondContact CE-OH 3.36Å; S2146-Y2182 PolarHBondContact OG-OH 3.1Å; I2168-Y2182 HydrophobicContact CD1-CD1 4.21Å; I2168-Y2182 HydrophobicContact CD1-CE1 4.44Å; I2168-Y2182 HydrophobicContact CG1-CD1 4.4Å; I2168-Y2182 HydrophobicContact CG2-CD1 4.35Å; I2168-Y2182 HydrophobicContact CG2-CG 4.18Å; Y2171-Y2182 HydrophobicContact CD1-CE2 4.27Å; Y2171-Y2182 AromaticContact CE1-CE2 3.93Å; Y2171-Y2182 HydrophobicContact CE1-CE2 3.93Å; L2172-Y2182 HydrophobicContact CD2-CD2 4.17Å; F2178-Y2182 HydrophobicContact CB-CD2 4.47Å; F2178-Y2182 HydrophobicContact CB-CE2 4.45Å; F2178-Y2182 WeakPolarHBondContact O-CD2 3.39Å; L2179-Y2182 PolarHBondContact O-N 3.18Å; L2179-Y2182 VanDerWaalsContact O-N 3.1Å; Y2182-S2184 VanDerWaalsContact C-N 3.35Å; Y2182-S2184 PolarHBondContact O-N 3.31Å; Y2182-V2185 PolarHBondContact O-N 3.19Å; Y2182-V2185 VanDerWaalsContact O-N 3.13Å; Y2182-I2186 VanDerWaalsContact O-CG1 3.29Å; Y2182-I2186 WeakPolarHBondContact O-CG1 3.37Å; Y2182-I2186 PolarHBondContact O-N 3.24Å |
| 2183 | Y | 88.2 | Confident | 86.7 | Confident | 26.8 Ų | 26.8 | 53.2 Ų | 53.2 | 11% | 0.105 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.7 | -47.4 | -173.1 | -179.2 | -114.2 | 0 | 0 | 0 | 112.5 | L2179 V2185 I2186 V2187 F2205 I2236 D2239 I2240 | L2179-Y2183 HydrophobicContact CD1-CD2 4.27Å; L2179-Y2183 WeakPolarHBondContact O-CA 3.29Å; L2179-Y2183 VanDerWaalsContact O-CB 3.24Å; L2179-Y2183 WeakPolarHBondContact O-CB 3.29Å; L2179-Y2183 PolarHBondContact O-N 3.13Å; Y2183-V2185 VanDerWaalsContact C-N 3.26Å; Y2183-V2185 PolarHBondContact O-N 3.15Å; Y2183-I2186 PolarHBondContact O-N 3.36Å; Y2183-V2187 HydrophobicContact CD2-CB 4.44Å; Y2183-V2187 HydrophobicContact CE2-CB 4.06Å; Y2183-V2187 HydrophobicContact CE2-CG2 4.25Å; Y2183-V2187 WeakPolarHBondContact O-CB 3.34Å; Y2183-V2187 VanDerWaalsContact O-CG1 3.29Å; Y2183-V2187 WeakPolarHBondContact O-CG1 3.36Å; Y2183-V2187 PolarHBondContact O-N 3.03Å; Y2183-F2205 HydrophobicContact CE2-CE1 4.48Å; Y2183-F2205 HydrophobicContact CE2-CZ 4.19Å; Y2183-I2236 HydrophobicContact CD1-CG1 4.45Å; Y2183-I2236 HydrophobicContact CD1-CG2 4.27Å; Y2183-I2236 HydrophobicContact CD2-CG2 3.73Å; Y2183-I2236 HydrophobicContact CE1-CG2 4.25Å; Y2183-I2236 HydrophobicContact CE2-CG2 3.73Å; Y2183-I2236 HydrophobicContact CG-CG2 4.01Å; Y2183-D2239 WeakPolarHBondContact OH-CB 3.28Å; Y2183-D2239 VanDerWaalsContact OH-CG 3.25Å; Y2183-D2239 PolarHBondContact OH-OD2 3.12Å; Y2183-I2240 HydrophobicContact CD2-CG1 4.46Å; Y2183-I2240 HydrophobicContact CE2-CD1 4.01Å; Y2183-I2240 HydrophobicContact CE2-CG1 3.53Å |
| 2184 | S | 87 | Confident | 87.1 | Confident | 72.6 Ų | 72.6 | 51.2 Ų | 51.2 | 51% | 0.508 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.3 | -36.3 | -179.2 | 55.5 | 0 | 0 | 0 | 0 | 112.9 | Y2182 V2187 | Y2182-S2184 VanDerWaalsContact C-N 3.35Å; Y2182-S2184 PolarHBondContact O-N 3.31Å; S2184-V2187 WeakPolarHBondContact O-CG1 3.43Å |
| 2185 | V | 87.1 | Confident | 87.6 | Confident | 28.2 Ų | 28.2 | 49.6 Ų | 49.6 | 17% | 0.171 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -84.5 | -37.7 | -178.9 | -162.1 | 0 | 0 | 0 | 0 | 111.6 | L2153 Y2182 Y2183 | L2153-V2185 HydrophobicContact CB-CG1 4.25Å; L2153-V2185 HydrophobicContact CD1-CB 4.02Å; L2153-V2185 HydrophobicContact CD1-CG1 3.41Å; L2153-V2185 VanDerWaalsContact CD1-CG1 3.42Å; L2153-V2185 HydrophobicContact CG-CG1 4.49Å; Y2182-V2185 PolarHBondContact O-N 3.19Å; Y2182-V2185 VanDerWaalsContact O-N 3.13Å; Y2183-V2185 VanDerWaalsContact C-N 3.26Å; Y2183-V2185 PolarHBondContact O-N 3.15Å |
| 2186 | I | 90.8 | Very high | 88.2 | Confident | 0.8 Ų | 0.8 | 47.4 Ų | 47.4 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.1 | -41.7 | -179.4 | -61.7 | 167.1 | 0 | 0 | 0 | 111.2 | I2168 L2172 Y2182 Y2183 E2188 R2189 V2201 F2205 | I2168-I2186 HydrophobicContact CB-CD1 4.43Å; I2168-I2186 HydrophobicContact CD1-CG1 4.43Å; I2168-I2186 HydrophobicContact CG2-CD1 3.49Å; I2168-I2186 VanDerWaalsContact CG2-CD1 3.46Å; I2168-I2186 HydrophobicContact CG2-CG1 4.23Å; L2172-I2186 HydrophobicContact CD1-CD1 3.53Å; L2172-I2186 VanDerWaalsContact CD1-CD1 3.49Å; Y2182-I2186 VanDerWaalsContact O-CG1 3.29Å; Y2182-I2186 WeakPolarHBondContact O-CG1 3.37Å; Y2182-I2186 PolarHBondContact O-N 3.24Å; Y2183-I2186 PolarHBondContact O-N 3.36Å; I2186-E2188 VanDerWaalsContact C-N 3.26Å; I2186-E2188 PolarHBondContact O-N 3.06Å; I2186-R2189 WeakPolarHBondContact O-CA 3.32Å; I2186-R2189 WeakPolarHBondContact O-CB 3.43Å; I2186-R2189 PolarHBondContact O-N 3.27Å; I2186-V2201 HydrophobicContact CG2-CG1 3.84Å; I2186-F2205 HydrophobicContact CB-CE1 4.4Å; I2186-F2205 HydrophobicContact CB-CZ 4.45Å; I2186-F2205 HydrophobicContact CG2-CD1 4.46Å; I2186-F2205 HydrophobicContact CG2-CE1 3.55Å; I2186-F2205 HydrophobicContact CG2-CZ 3.75Å |
| 2187 | V | 92.1 | Very high | 89 | Confident | 22.2 Ų | 22.2 | 47.4 Ų | 47.4 | 14% | 0.135 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62 | -35.1 | -175 | 71 | 0 | 0 | 0 | 0 | 112.2 | Y2183 S2184 R2189 V2190 F2205 K2243 | Y2183-V2187 HydrophobicContact CD2-CB 4.44Å; Y2183-V2187 HydrophobicContact CE2-CB 4.06Å; Y2183-V2187 HydrophobicContact CE2-CG2 4.25Å; Y2183-V2187 WeakPolarHBondContact O-CB 3.34Å; Y2183-V2187 VanDerWaalsContact O-CG1 3.29Å; Y2183-V2187 WeakPolarHBondContact O-CG1 3.36Å; Y2183-V2187 PolarHBondContact O-N 3.03Å; S2184-V2187 WeakPolarHBondContact O-CG1 3.43Å; V2187-R2189 PolarHBondContact O-N 3.4Å; V2187-V2190 WeakPolarHBondContact O-CB 3.33Å; V2187-V2190 WeakPolarHBondContact O-CG2 3.35Å; V2187-V2190 PolarHBondContact O-N 3.03Å; V2187-F2205 HydrophobicContact CB-CZ 4.28Å; V2187-F2205 HydrophobicContact CG2-CZ 4.48Å; V2187-K2243 HydrophobicContact CG2-CB 4.48Å; V2187-K2243 HydrophobicContact CG2-CD 4.22Å; V2187-K2243 HydrophobicContact CG2-CG 3.87Å |
| 2188 | E | 91.4 | Very high | 89.9 | Confident | 110 Ų | 110 | 43.6 Ų | 43.6 | 51% | 0.514 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.7 | -30.3 | 174.1 | -67.5 | -179 | -179.3 | 0 | 0 | 112.6 | I2186 V2190 L2191 | I2186-E2188 VanDerWaalsContact C-N 3.26Å; I2186-E2188 PolarHBondContact O-N 3.06Å; E2188-V2190 PolarHBondContact O-N 3.29Å; E2188-L2191 PolarHBondContact O-N 3.26Å; E2188-L2191 VanDerWaalsContact O-N 3.16Å |
| 2189 | R | 93.7 | Very high | 90.7 | Very high | 40.2 Ų | 40.2 | 44 Ų | 44 | 15% | 0.152 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -73.8 | -8.9 | -180 | -59.5 | -55.5 | 96 | 179.4 | 10 | 113.3 | L2153 V2165 I2186 V2187 L2191 D2192 V2197 V2201 | L2153-R2189 HydrophobicContact CD2-CG 4.44Å; V2165-R2189 HydrophobicContact CG2-CG 4.48Å; I2186-R2189 WeakPolarHBondContact O-CA 3.32Å; I2186-R2189 WeakPolarHBondContact O-CB 3.43Å; I2186-R2189 PolarHBondContact O-N 3.27Å; V2187-R2189 PolarHBondContact O-N 3.4Å; R2189-L2191 PolarHBondContact O-N 3.13Å; R2189-D2192 IonicContact NH1-OD2 3.2Å; R2189-D2192 PolarHBondContact NH1-OD2 3.13Å; R2189-D2192 VanDerWaalsContact O-CB 3.28Å; R2189-D2192 WeakPolarHBondContact O-CB 3.22Å; R2189-D2192 PolarHBondContact O-N 3.09Å; R2189-D2192 VanDerWaalsContact O-N 3.14Å; R2189-V2197 HydrophobicContact CB-CG1 4.33Å; R2189-V2201 HydrophobicContact CB-CG2 3.63Å |
| 2190 | V | 93.5 | Very high | 91.2 | Very high | 4.6 Ų | 4.6 | 46.4 Ų | 46.4 | 3% | 0.028 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -60.6 | -26.4 | 167.8 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | V2187 E2188 R2198 V2201 F2205 R2247 | V2187-V2190 WeakPolarHBondContact O-CB 3.33Å; V2187-V2190 WeakPolarHBondContact O-CG2 3.35Å; V2187-V2190 PolarHBondContact O-N 3.03Å; E2188-V2190 PolarHBondContact O-N 3.29Å; V2190-R2198 WeakPolarHBondContact O-CD 3.32Å; V2190-R2198 WeakPolarHBondContact O-CG 3.34Å; V2190-V2201 HydrophobicContact CG2-CG1 3.51Å; V2190-F2205 HydrophobicContact CG2-CD2 4.07Å; V2190-F2205 HydrophobicContact CG2-CE2 3.46Å; V2190-F2205 VanDerWaalsContact CG2-CE2 3.46Å; V2190-F2205 HydrophobicContact CG2-CZ 4.36Å; V2190-R2247 HydrophobicContact CG1-CG 3.56Å |
| 2191 | L | 92.1 | Very high | 92 | Very high | 109.2 Ų | 109.2 | 43.2 Ų | 43.2 | 57% | 0.572 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -99.6 | 14 | 179 | -55.6 | 178.4 | 0 | 0 | 0 | 113 | E2188 R2189 | E2188-L2191 PolarHBondContact O-N 3.26Å; E2188-L2191 VanDerWaalsContact O-N 3.16Å; R2189-L2191 PolarHBondContact O-N 3.13Å |
| 2192 | D | 94.7 | Very high | 92.6 | Very high | 7.8 Ų | 7.8 | 40.8 Ų | 40.8 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | trans | -61.8 | 142.8 | -176.4 | -162.9 | -78.9 | 0 | 0 | 0 | 112.1 | R2161 R2189 G2194 V2197 R2198 | R2161-D2192 IonicContact CZ-OD1 3.34Å; R2161-D2192 IonicContact CZ-OD2 3.63Å; R2161-D2192 IonicContact NE-OD1 3.12Å; R2161-D2192 PolarHBondContact NE-OD1 3.26Å; R2161-D2192 IonicContact NE-OD2 3.4Å; R2161-D2192 PolarHBondContact NE-OD2 3.05Å; R2161-D2192 IonicContact NH2-OD1 3.19Å; R2161-D2192 PolarHBondContact NH2-OD1 3.11Å; R2161-D2192 IonicContact NH2-OD2 3.36Å; R2189-D2192 IonicContact NH1-OD2 3.2Å; R2189-D2192 PolarHBondContact NH1-OD2 3.13Å; R2189-D2192 VanDerWaalsContact O-CB 3.28Å; R2189-D2192 WeakPolarHBondContact O-CB 3.22Å; R2189-D2192 PolarHBondContact O-N 3.09Å; R2189-D2192 VanDerWaalsContact O-N 3.14Å; D2192-G2194 PolarHBondContact O-N 2.99Å; D2192-G2194 PolarHBondContact OD1-N 3.03Å; D2192-V2197 HydrophobicContact CB-CB 4.02Å; D2192-V2197 HydrophobicContact CB-CG1 3.91Å; D2192-R2198 HydrophobicContact CB-CG 4.03Å; D2192-R2198 WeakPolarHBondContact O-CD 3.43Å; D2192-R2198 VanDerWaalsContact O-CG 3.29Å; D2192-R2198 WeakPolarHBondContact O-CG 3.36Å; D2192-R2198 PolarHBondContact O-NE 3.09Å; D2192-R2198 VanDerWaalsContact O-NE 3.15Å | ||
| 2193 | K | 92.2 | Very high | 93 | Very high | 204.6 Ų | 204.6 | 44.5 Ų | 44.5 | 89% | 0.89 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -60.7 | -29.2 | 176.9 | -63.2 | -177.6 | -180 | -178.3 | 0 | 112.4 | ||
| 2194 | G | 93.6 | Very high | 93.2 | Very high | 7.8 Ų | 7.8 | 43.3 Ų | 43.3 | 8% | 0.08 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -83.7 | 115.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D2192 S2196 V2197 R2198 | D2192-G2194 PolarHBondContact O-N 2.99Å; D2192-G2194 PolarHBondContact OD1-N 3.03Å; G2194-S2196 VanDerWaalsContact C-N 3.26Å; G2194-S2196 PolarHBondContact O-N 3.16Å; G2194-V2197 WeakPolarHBondContact O-CB 3.29Å; G2194-V2197 PolarHBondContact O-N 3.25Å; G2194-V2197 VanDerWaalsContact O-N 3.11Å; G2194-R2198 PolarHBondContact O-N 3.18Å |
| 2195 | V | 94.3 | Very high | 93.5 | Very high | 41.8 Ų | 41.8 | 39.8 Ų | 39.8 | 25% | 0.253 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -55.4 | -39.4 | 178.5 | -176.3 | 0 | 0 | 0 | 0 | 112 | V2197 R2198 K2199 E2251 I2254 | V2195-V2197 VanDerWaalsContact C-N 3.33Å; V2195-V2197 PolarHBondContact O-N 3.06Å; V2195-R2198 PolarHBondContact O-N 3.26Å; V2195-K2199 HydrophobicContact CG1-CD 4.24Å; V2195-K2199 HydrophobicContact CG1-CG 4.28Å; V2195-K2199 VanDerWaalsContact O-CG 3.29Å; V2195-K2199 WeakPolarHBondContact O-CG 3.33Å; V2195-K2199 PolarHBondContact O-N 3.09Å; V2195-E2251 HydrophobicContact CG2-CG 4.36Å; V2195-E2251 WeakPolarHBondContact CG2-OE1 3.2Å; V2195-E2251 VanDerWaalsContact CG2-OE2 3.25Å; V2195-E2251 WeakPolarHBondContact CG2-OE2 3.4Å; V2195-I2254 HydrophobicContact CG1-CD1 4.25Å; V2195-I2254 HydrophobicContact CG1-CG1 4.24Å |
| 2196 | S | 94.8 | Very high | 93.6 | Very high | 39.6 Ų | 39.6 | 41.6 Ų | 41.6 | 28% | 0.277 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.5 | -36.6 | -179.9 | 70.1 | 0 | 0 | 0 | 0 | 113.2 | E2162 G2194 K2199 R2200 | E2162-S2196 WeakPolarHBondContact OE2-CB 3.39Å; E2162-S2196 PolarHBondContact OE2-OG 3.1Å; G2194-S2196 VanDerWaalsContact C-N 3.26Å; G2194-S2196 PolarHBondContact O-N 3.16Å; S2196-K2199 PolarHBondContact O-N 3.01Å; S2196-R2200 WeakPolarHBondContact O-CB 3.3Å; S2196-R2200 PolarHBondContact O-N 2.97Å |
| 2197 | V | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -50.7 | 174.6 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | T2158 R2161 E2162 V2165 R2189 D2192 G2194 V2195 K2199 R2200 V2201 | T2158-V2197 HydrophobicContact CG2-CG2 3.74Å; T2158-V2197 WeakPolarHBondContact O-CG2 3.31Å; R2161-V2197 HydrophobicContact CB-CG1 4.32Å; R2161-V2197 HydrophobicContact CB-CG2 3.89Å; E2162-V2197 HydrophobicContact CB-CG2 4.09Å; V2165-V2197 HydrophobicContact CG2-CG1 4.1Å; R2189-V2197 HydrophobicContact CB-CG1 4.33Å; D2192-V2197 HydrophobicContact CB-CB 4.02Å; D2192-V2197 HydrophobicContact CB-CG1 3.91Å; G2194-V2197 WeakPolarHBondContact O-CB 3.29Å; G2194-V2197 PolarHBondContact O-N 3.25Å; G2194-V2197 VanDerWaalsContact O-N 3.11Å; V2195-V2197 VanDerWaalsContact C-N 3.33Å; V2195-V2197 PolarHBondContact O-N 3.06Å; V2197-K2199 VanDerWaalsContact C-N 3.34Å; V2197-K2199 PolarHBondContact O-N 3.27Å; V2197-R2200 WeakPolarHBondContact O-CA 3.42Å; V2197-R2200 WeakPolarHBondContact O-CB 3.37Å; V2197-R2200 PolarHBondContact O-N 3.24Å; V2197-V2201 HydrophobicContact CG1-CG2 4.49Å; V2197-V2201 WeakPolarHBondContact O-CG2 3.35Å; V2197-V2201 PolarHBondContact O-N 3.12Å |
| 2198 | R | 95.6 | Very high | 93.2 | Very high | 27.4 Ų | 27.4 | 42.7 Ų | 42.7 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.2 | -46.8 | 177.1 | -63.6 | -169 | -71.3 | 178.1 | 9.1 | 111.9 | V2190 D2192 G2194 V2195 R2200 V2201 I2202 D2250 I2254 | V2190-R2198 WeakPolarHBondContact O-CD 3.32Å; V2190-R2198 WeakPolarHBondContact O-CG 3.34Å; D2192-R2198 HydrophobicContact CB-CG 4.03Å; D2192-R2198 WeakPolarHBondContact O-CD 3.43Å; D2192-R2198 VanDerWaalsContact O-CG 3.29Å; D2192-R2198 WeakPolarHBondContact O-CG 3.36Å; D2192-R2198 PolarHBondContact O-NE 3.09Å; D2192-R2198 VanDerWaalsContact O-NE 3.15Å; G2194-R2198 PolarHBondContact O-N 3.18Å; V2195-R2198 PolarHBondContact O-N 3.26Å; R2198-R2200 VanDerWaalsContact C-N 3.27Å; R2198-R2200 PolarHBondContact O-N 3.02Å; R2198-V2201 PolarHBondContact O-N 3.21Å; R2198-V2201 VanDerWaalsContact O-N 3.15Å; R2198-I2202 WeakPolarHBondContact O-CD1 3.33Å; R2198-I2202 VanDerWaalsContact O-CG1 3.27Å; R2198-I2202 WeakPolarHBondContact O-CG1 3.39Å; R2198-I2202 PolarHBondContact O-N 3.2Å; R2198-D2250 IonicContact CZ-OD1 2.85Å; R2198-D2250 VanDerWaalsContact CZ-OD1 3.29Å; R2198-D2250 IonicContact CZ-OD2 2.87Å; R2198-D2250 IonicContact NH1-OD1 3.64Å; R2198-D2250 PolarHBondContact NH1-OD1 2.88Å; R2198-D2250 IonicContact NH1-OD2 3.17Å; R2198-D2250 PolarHBondContact NH1-OD2 3.37Å; R2198-D2250 IonicContact NH2-OD1 3.65Å; R2198-D2250 PolarHBondContact NH2-OD1 3.24Å; R2198-D2250 IonicContact NH2-OD2 3.08Å; R2198-I2254 HydrophobicContact CB-CD1 3.71Å |
| 2199 | K | 96.2 | Very high | 92.9 | Very high | 53.8 Ų | 53.8 | 38.4 Ų | 38.4 | 23% | 0.234 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.5 | -41.6 | 174.2 | -70.9 | -178.2 | 172.7 | 168.3 | 0 | 112 | V2195 S2196 V2197 R2203 S2253 I2254 L2257 | V2195-K2199 HydrophobicContact CG1-CD 4.24Å; V2195-K2199 HydrophobicContact CG1-CG 4.28Å; V2195-K2199 VanDerWaalsContact O-CG 3.29Å; V2195-K2199 WeakPolarHBondContact O-CG 3.33Å; V2195-K2199 PolarHBondContact O-N 3.09Å; S2196-K2199 PolarHBondContact O-N 3.01Å; V2197-K2199 VanDerWaalsContact C-N 3.34Å; V2197-K2199 PolarHBondContact O-N 3.27Å; K2199-R2203 WeakPolarHBondContact O-CG 3.41Å; K2199-R2203 PolarHBondContact O-N 3.18Å; K2199-R2203 VanDerWaalsContact O-N 3.11Å; K2199-R2203 PolarHBondContact O-NH1 3.36Å; K2199-S2253 VanDerWaalsContact CE-CB 3.45Å; K2199-S2253 WeakPolarHBondContact CE-OG 3.38Å; K2199-S2253 VanDerWaalsContact NZ-CB 3.27Å; K2199-S2253 PolarHBondContact NZ-OG 3.38Å; K2199-I2254 HydrophobicContact CB-CD1 4.44Å; K2199-I2254 HydrophobicContact CG-CD1 3.64Å; K2199-L2257 HydrophobicContact CB-CD1 3.73Å; K2199-L2257 HydrophobicContact CD-CD1 4.15Å; K2199-L2257 HydrophobicContact CG-CD1 3.56Å |
| 2200 | R | 94.6 | Very high | 92.4 | Very high | 53.4 Ų | 53.4 | 39.7 Ų | 39.7 | 20% | 0.202 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.4 | -41.6 | 178.4 | -171.4 | 66.3 | 153.5 | 179.9 | -4.2 | 112 | E2162 V2165 D2166 S2169 S2196 V2197 R2198 I2202 R2203 C2204 | E2162-R2200 HydrophobicContact CG-CB 4.24Å; E2162-R2200 HydrophobicContact CG-CG 4.49Å; E2162-R2200 IonicContact OE1-NE 3.67Å; E2162-R2200 IonicContact OE1-NH2 3.78Å; E2162-R2200 PolarHBondContact OE1-NH2 3.28Å; V2165-R2200 HydrophobicContact CB-CB 4.47Å; V2165-R2200 HydrophobicContact CB-CG 3.96Å; V2165-R2200 HydrophobicContact CG1-CB 4.12Å; V2165-R2200 HydrophobicContact CG1-CG 3.65Å; D2166-R2200 HydrophobicContact CB-CG 4.41Å; D2166-R2200 VanDerWaalsContact CG-CZ 3.43Å; D2166-R2200 VanDerWaalsContact CG-NH1 3.32Å; D2166-R2200 WeakPolarHBondContact OD1-CD 3.23Å; D2166-R2200 IonicContact OD1-CZ 2.98Å; D2166-R2200 VanDerWaalsContact OD1-CZ 3.24Å; D2166-R2200 IonicContact OD1-NE 3.65Å; D2166-R2200 PolarHBondContact OD1-NE 3.39Å; D2166-R2200 IonicContact OD1-NH1 3.18Å; D2166-R2200 PolarHBondContact OD1-NH1 3.29Å; D2166-R2200 IonicContact OD1-NH2 3.07Å; D2166-R2200 PolarHBondContact OD1-NH2 3.27Å; D2166-R2200 IonicContact OD2-NH1 3.01Å; D2166-R2200 IonicContact OD2-NH2 2.98Å; D2166-R2200 PolarHBondContact OD2-NH2 3.35Å; S2169-R2200 PolarHBondContact OG-NH2 3.04Å; S2196-R2200 WeakPolarHBondContact O-CB 3.3Å; S2196-R2200 PolarHBondContact O-N 2.97Å; V2197-R2200 WeakPolarHBondContact O-CA 3.42Å; V2197-R2200 WeakPolarHBondContact O-CB 3.37Å; V2197-R2200 PolarHBondContact O-N 3.24Å; R2198-R2200 VanDerWaalsContact C-N 3.27Å; R2198-R2200 PolarHBondContact O-N 3.02Å; R2200-I2202 VanDerWaalsContact C-N 3.34Å; R2200-R2203 PolarHBondContact O-N 3.02Å; R2200-C2204 WeakPolarHBondContact O-CB 3.38Å; R2200-C2204 PolarHBondContact O-N 3.25Å |
| 2201 | V | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 175.8 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | V2165 I2186 R2189 V2190 V2197 R2198 R2203 C2204 F2205 | V2165-V2201 HydrophobicContact CB-CG2 4.46Å; V2165-V2201 HydrophobicContact CG1-CB 4.44Å; V2165-V2201 HydrophobicContact CG1-CG2 3.67Å; V2165-V2201 HydrophobicContact CG2-CG2 4Å; I2186-V2201 HydrophobicContact CG2-CG1 3.84Å; R2189-V2201 HydrophobicContact CB-CG2 3.63Å; V2190-V2201 HydrophobicContact CG2-CG1 3.51Å; V2197-V2201 HydrophobicContact CG1-CG2 4.49Å; V2197-V2201 WeakPolarHBondContact O-CG2 3.35Å; V2197-V2201 PolarHBondContact O-N 3.12Å; R2198-V2201 PolarHBondContact O-N 3.21Å; R2198-V2201 VanDerWaalsContact O-N 3.15Å; V2201-R2203 VanDerWaalsContact C-N 3.34Å; V2201-R2203 PolarHBondContact O-N 2.98Å; V2201-C2204 WeakPolarHBondContact O-CB 3.43Å; V2201-C2204 PolarHBondContact O-N 3.28Å; V2201-F2205 HydrophobicContact CG1-CD1 4.47Å; V2201-F2205 HydrophobicContact CG1-CD2 3.99Å; V2201-F2205 HydrophobicContact CG1-CE1 4.39Å; V2201-F2205 HydrophobicContact CG1-CE2 3.8Å; V2201-F2205 HydrophobicContact CG1-CG 4.4Å; V2201-F2205 HydrophobicContact CG1-CZ 4.02Å; V2201-F2205 WeakPolarHBondContact O-CB 3.4Å; V2201-F2205 WeakPolarHBondContact O-CG 3.41Å; V2201-F2205 PolarHBondContact O-N 3Å |
| 2202 | I | 94.6 | Very high | 90.4 | Very high | 2.4 Ų | 2.4 | 38.3 Ų | 38.3 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 178.3 | -66 | 161.2 | 0 | 0 | 0 | 111 | R2198 R2200 C2204 F2205 R2206 L2244 I2254 L2257 I2258 | R2198-I2202 WeakPolarHBondContact O-CD1 3.33Å; R2198-I2202 VanDerWaalsContact O-CG1 3.27Å; R2198-I2202 WeakPolarHBondContact O-CG1 3.39Å; R2198-I2202 PolarHBondContact O-N 3.2Å; R2200-I2202 VanDerWaalsContact C-N 3.34Å; I2202-C2204 PolarHBondContact O-N 3.27Å; I2202-F2205 PolarHBondContact O-N 3.24Å; I2202-R2206 WeakPolarHBondContact O-CB 3.4Å; I2202-R2206 PolarHBondContact O-N 3.02Å; I2202-L2244 HydrophobicContact CB-CD2 4.42Å; I2202-L2244 HydrophobicContact CG1-CD2 3.78Å; I2202-L2244 HydrophobicContact CG2-CD2 4.34Å; I2202-I2254 HydrophobicContact CD1-CB 4.48Å; I2202-I2254 HydrophobicContact CD1-CD1 3.7Å; I2202-I2254 HydrophobicContact CD1-CG2 3.68Å; I2202-L2257 HydrophobicContact CG2-CB 3.98Å; I2202-I2258 HydrophobicContact CD1-CD1 4.26Å; I2202-I2258 HydrophobicContact CD1-CG1 4.09Å; I2202-I2258 HydrophobicContact CG1-CG1 4.44Å; I2202-I2258 HydrophobicContact CG2-CG1 4.14Å |
| 2203 | R | 94 | Very high | 89 | Confident | 82 Ų | 82 | 39.8 Ų | 39.8 | 31% | 0.309 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 174.4 | -67.7 | -177.2 | -155.8 | 105.8 | -9.5 | 112 | K2199 R2200 V2201 F2205 R2206 D2207 | K2199-R2203 WeakPolarHBondContact O-CG 3.41Å; K2199-R2203 PolarHBondContact O-N 3.18Å; K2199-R2203 VanDerWaalsContact O-N 3.11Å; K2199-R2203 PolarHBondContact O-NH1 3.36Å; R2200-R2203 PolarHBondContact O-N 3.02Å; V2201-R2203 VanDerWaalsContact C-N 3.34Å; V2201-R2203 PolarHBondContact O-N 2.98Å; R2203-F2205 VanDerWaalsContact C-N 3.31Å; R2203-F2205 PolarHBondContact O-N 3.29Å; R2203-R2206 WeakPolarHBondContact O-CB 3.46Å; R2203-R2206 PolarHBondContact O-N 3.21Å; R2203-D2207 WeakPolarHBondContact O-CB 3.4Å; R2203-D2207 PolarHBondContact O-N 3.15Å |
| 2204 | C | 92.1 | Very high | 87.6 | Confident | 0.6 Ų | 0.6 | 33 Ų | 33 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55.7 | -48.2 | 174 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | S2169 R2200 V2201 I2202 D2207 L2208 | S2169-C2204 WeakPolarHBondContact OG-CA 3.3Å; S2169-C2204 VanDerWaalsContact OG-CB 3.27Å; S2169-C2204 WeakPolarHBondContact OG-CB 3.36Å; R2200-C2204 WeakPolarHBondContact O-CB 3.38Å; R2200-C2204 PolarHBondContact O-N 3.25Å; V2201-C2204 WeakPolarHBondContact O-CB 3.43Å; V2201-C2204 PolarHBondContact O-N 3.28Å; I2202-C2204 PolarHBondContact O-N 3.27Å; C2204-D2207 PolarHBondContact O-N 3.03Å; C2204-L2208 WeakPolarHBondContact O-CB 3.36Å; C2204-L2208 WeakPolarHBondContact O-CD1 3.23Å; C2204-L2208 VanDerWaalsContact O-CG 3.26Å; C2204-L2208 WeakPolarHBondContact O-CG 3.41Å; C2204-L2208 PolarHBondContact O-N 3.32Å |
| 2205 | F | 93 | Very high | 86.2 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.2 | -40.6 | 178.5 | -76.1 | -7.4 | 0 | 0 | 0 | 113 | Y2183 I2186 V2187 V2190 V2201 I2202 R2203 L2208 L2209 I2240 L2244 | Y2183-F2205 HydrophobicContact CE2-CE1 4.48Å; Y2183-F2205 HydrophobicContact CE2-CZ 4.19Å; I2186-F2205 HydrophobicContact CB-CE1 4.4Å; I2186-F2205 HydrophobicContact CB-CZ 4.45Å; I2186-F2205 HydrophobicContact CG2-CD1 4.46Å; I2186-F2205 HydrophobicContact CG2-CE1 3.55Å; I2186-F2205 HydrophobicContact CG2-CZ 3.75Å; V2187-F2205 HydrophobicContact CB-CZ 4.28Å; V2187-F2205 HydrophobicContact CG2-CZ 4.48Å; V2190-F2205 HydrophobicContact CG2-CD2 4.07Å; V2190-F2205 HydrophobicContact CG2-CE2 3.46Å; V2190-F2205 VanDerWaalsContact CG2-CE2 3.46Å; V2190-F2205 HydrophobicContact CG2-CZ 4.36Å; V2201-F2205 HydrophobicContact CG1-CD1 4.47Å; V2201-F2205 HydrophobicContact CG1-CD2 3.99Å; V2201-F2205 HydrophobicContact CG1-CE1 4.39Å; V2201-F2205 HydrophobicContact CG1-CE2 3.8Å; V2201-F2205 HydrophobicContact CG1-CG 4.4Å; V2201-F2205 HydrophobicContact CG1-CZ 4.02Å; V2201-F2205 WeakPolarHBondContact O-CB 3.4Å; V2201-F2205 WeakPolarHBondContact O-CG 3.41Å; V2201-F2205 PolarHBondContact O-N 3Å; I2202-F2205 PolarHBondContact O-N 3.24Å; R2203-F2205 VanDerWaalsContact C-N 3.31Å; R2203-F2205 PolarHBondContact O-N 3.29Å; F2205-L2208 HydrophobicContact CD1-CD1 4.29Å; F2205-L2208 PolarHBondContact O-N 3.3Å; F2205-L2209 WeakPolarHBondContact O-CB 3.3Å; F2205-L2209 WeakPolarHBondContact O-CG 3.41Å; F2205-L2209 PolarHBondContact O-N 3.21Å; F2205-I2240 HydrophobicContact CB-CG2 3.64Å; F2205-I2240 HydrophobicContact CD1-CD1 4.11Å; F2205-I2240 HydrophobicContact CD1-CG1 4.36Å; F2205-I2240 HydrophobicContact CD1-CG2 4.38Å; F2205-I2240 HydrophobicContact CD2-CB 4.47Å; F2205-I2240 HydrophobicContact CD2-CG1 4.35Å; F2205-I2240 HydrophobicContact CD2-CG2 3.64Å; F2205-I2240 HydrophobicContact CE1-CD1 4.27Å; F2205-I2240 HydrophobicContact CE1-CG1 4.33Å; F2205-I2240 HydrophobicContact CE2-CG1 4.3Å; F2205-I2240 HydrophobicContact CE2-CG2 4.32Å; F2205-I2240 HydrophobicContact CG-CD1 4.42Å; F2205-I2240 HydrophobicContact CG-CG1 4.36Å; F2205-I2240 HydrophobicContact CG-CG2 3.67Å; F2205-I2240 HydrophobicContact CZ-CG1 4.29Å; F2205-L2244 HydrophobicContact CB-CD1 4.31Å; F2205-L2244 HydrophobicContact CD2-CD2 4.31Å; F2205-L2244 HydrophobicContact CD2-CG 4.43Å |
| 2206 | R | 90.9 | Very high | 84.4 | Confident | 66.4 Ų | 66.4 | 41.3 Ų | 41.3 | 25% | 0.251 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -56.1 | -52.7 | 171.1 | 179.9 | -161.6 | 68.7 | 168.9 | 2.6 | 111 | I2202 R2203 L2208 L2209 L2210 A2261 E2264 | I2202-R2206 WeakPolarHBondContact O-CB 3.4Å; I2202-R2206 PolarHBondContact O-N 3.02Å; R2203-R2206 WeakPolarHBondContact O-CB 3.46Å; R2203-R2206 PolarHBondContact O-N 3.21Å; R2206-L2208 VanDerWaalsContact C-N 3.26Å; R2206-L2208 PolarHBondContact O-N 3.15Å; R2206-L2209 PolarHBondContact O-N 3.21Å; R2206-L2209 VanDerWaalsContact O-N 3.13Å; R2206-L2210 HydrophobicContact CG-CD1 3.89Å; R2206-L2210 VanDerWaalsContact O-CG 3.31Å; R2206-L2210 WeakPolarHBondContact O-CG 3.35Å; R2206-L2210 PolarHBondContact O-N 3.21Å; R2206-L2210 VanDerWaalsContact O-N 3.07Å; R2206-A2261 HydrophobicContact CB-CB 3.89Å; R2206-A2261 HydrophobicContact CG-CB 3.74Å; R2206-E2264 WeakPolarHBondContact CD-OE2 3.36Å; R2206-E2264 IonicContact CZ-OE2 2.69Å; R2206-E2264 IonicContact NE-OE2 3.52Å; R2206-E2264 IonicContact NH1-OE2 2.91Å; R2206-E2264 PolarHBondContact NH1-OE2 2.97Å |
| 2207 | D | 88.2 | Confident | 82.3 | Confident | 44 Ų | 44 | 41.2 Ų | 41.2 | 24% | 0.235 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62 | -35.8 | -177.8 | -59.8 | -12.4 | 0 | 0 | 0 | 111.2 | R2203 C2204 N2211 | R2203-D2207 WeakPolarHBondContact O-CB 3.4Å; R2203-D2207 PolarHBondContact O-N 3.15Å; C2204-D2207 PolarHBondContact O-N 3.03Å; D2207-N2211 VanDerWaalsContact O-CG 3.3Å; D2207-N2211 PolarHBondContact O-N 3.02Å; D2207-N2211 PolarHBondContact O-ND2 3.22Å |
| 2208 | L | 86.1 | Confident | 79.9 | Confident | 1.2 Ų | 1.2 | 47.6 Ų | 47.6 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.4 | -36 | 174.5 | -71.9 | 170 | 0 | 0 | 0 | 113.9 | L2172 P2176 L2179 C2204 F2205 R2206 L2210 N2211 W2213 | L2172-L2208 HydrophobicContact CB-CD2 3.98Å; L2172-L2208 HydrophobicContact CD1-CD1 4.29Å; P2176-L2208 HydrophobicContact CB-CD2 4.48Å; L2179-L2208 HydrophobicContact CD1-CD1 3.78Å; L2179-L2208 HydrophobicContact CD2-CD1 4.44Å; C2204-L2208 WeakPolarHBondContact O-CB 3.36Å; C2204-L2208 WeakPolarHBondContact O-CD1 3.23Å; C2204-L2208 VanDerWaalsContact O-CG 3.26Å; C2204-L2208 WeakPolarHBondContact O-CG 3.41Å; C2204-L2208 PolarHBondContact O-N 3.32Å; F2205-L2208 HydrophobicContact CD1-CD1 4.29Å; F2205-L2208 PolarHBondContact O-N 3.3Å; R2206-L2208 VanDerWaalsContact C-N 3.26Å; R2206-L2208 PolarHBondContact O-N 3.15Å; L2208-L2210 VanDerWaalsContact C-N 3.33Å; L2208-N2211 PolarHBondContact O-N 3.22Å; L2208-W2213 HydrophobicContact CB-CZ2 4.5Å; L2208-W2213 HydrophobicContact CD2-CZ2 4.33Å; L2208-W2213 PolarHBondContact O-NE1 3.01Å |
| 2209 | L | 85.4 | Confident | 77.6 | Confident | 20.4 Ų | 20.4 | 49.2 Ų | 49.2 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71.2 | -29 | 177.2 | -73.1 | 170.3 | 0 | 0 | 0 | 112.2 | F2205 R2206 N2211 C2237 I2240 L2244 L2265 | F2205-L2209 WeakPolarHBondContact O-CB 3.3Å; F2205-L2209 WeakPolarHBondContact O-CG 3.41Å; F2205-L2209 PolarHBondContact O-N 3.21Å; R2206-L2209 PolarHBondContact O-N 3.21Å; R2206-L2209 VanDerWaalsContact O-N 3.13Å; L2209-N2211 VanDerWaalsContact C-N 3.31Å; L2209-C2237 HydrophobicContact CD2-CB 3.72Å; L2209-I2240 HydrophobicContact CD1-CG2 3.77Å; L2209-I2240 HydrophobicContact CD2-CB 4.46Å; L2209-I2240 HydrophobicContact CD2-CG2 4.29Å; L2209-I2240 HydrophobicContact CG-CG2 4.12Å; L2209-L2244 HydrophobicContact CD1-CD1 4.36Å; L2209-L2265 HydrophobicContact CB-CD1 4.05Å; L2209-L2265 HydrophobicContact CB-CD2 4.39Å; L2209-L2265 HydrophobicContact CD1-CD2 4.18Å |
| 2210 | L | 81.7 | Confident | 75.3 | Confident | 66.6 Ų | 66.6 | 52.6 Ų | 52.6 | 35% | 0.349 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -82.3 | -14.9 | 177.9 | -65.2 | 170.9 | 0 | 0 | 0 | 113.5 | R2206 L2208 E2264 L2265 | R2206-L2210 HydrophobicContact CG-CD1 3.89Å; R2206-L2210 VanDerWaalsContact O-CG 3.31Å; R2206-L2210 WeakPolarHBondContact O-CG 3.35Å; R2206-L2210 PolarHBondContact O-N 3.21Å; R2206-L2210 VanDerWaalsContact O-N 3.07Å; L2208-L2210 VanDerWaalsContact C-N 3.33Å; L2210-E2264 HydrophobicContact CD1-CB 4.49Å; L2210-E2264 VanDerWaalsContact CD1-CD 3.46Å; L2210-E2264 HydrophobicContact CD1-CG 3.83Å; L2210-E2264 WeakPolarHBondContact CD1-OE1 3.37Å; L2210-E2264 WeakPolarHBondContact CD1-OE2 3.42Å; L2210-E2264 HydrophobicContact CD2-CB 4.44Å; L2210-E2264 HydrophobicContact CD2-CG 4.02Å; L2210-L2265 HydrophobicContact CD2-CB 4.49Å; L2210-L2265 HydrophobicContact CD2-CD1 4.22Å |
| 2211 | N | 76 | Confident | 73 | Confident | 42 Ų | 42 | 57 Ų | 57 | 23% | 0.225 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -67 | 140 | 178.3 | -84.3 | -25.7 | 0 | 0 | 0 | 112.7 | D2207 L2208 L2209 W2213 | D2207-N2211 VanDerWaalsContact O-CG 3.3Å; D2207-N2211 PolarHBondContact O-N 3.02Å; D2207-N2211 PolarHBondContact O-ND2 3.22Å; L2208-N2211 PolarHBondContact O-N 3.22Å; L2209-N2211 VanDerWaalsContact C-N 3.31Å; N2211-W2213 VanDerWaalsContact C-N 3.31Å; N2211-W2213 PolarHBondContact O-N 3.18Å |
| 2212 | D | 68.4 | Low | 70.5 | Confident | 43 Ų | 43 | 59.9 Ų | 59.9 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | trans | -78.5 | 83.1 | 173.9 | -168.7 | -8.7 | 0 | 0 | 0 | 110.7 | N2214 K2215 F2216 R2276 R2283 | D2212-N2214 PolarHBondContact O-N 3.16Å; D2212-N2214 VanDerWaalsContact O-N 3.13Å; D2212-N2214 WeakPolarHBondContact OD1-CB 3.38Å; D2212-N2214 PolarHBondContact OD1-N 3.16Å; D2212-N2214 PolarHBondContact OD1-ND2 3.26Å; D2212-K2215 HydrophobicContact CB-CB 4.45Å; D2212-K2215 HydrophobicContact CB-CD 4.22Å; D2212-K2215 HydrophobicContact CB-CG 4.19Å; D2212-K2215 WeakPolarHBondContact O-CB 3.32Å; D2212-K2215 PolarHBondContact O-N 3.05Å; D2212-K2215 VanDerWaalsContact OD2-CE 3.31Å; D2212-K2215 WeakPolarHBondContact OD2-CE 3.33Å; D2212-F2216 WeakPolarHBondContact O-CD2 3.39Å; D2212-R2276 IonicContact OD2-NH1 2.76Å; D2212-R2283 IonicContact OD1-CZ 3.25Å; D2212-R2283 VanDerWaalsContact OD1-CZ 3.22Å; D2212-R2283 IonicContact OD1-NH1 3.1Å; D2212-R2283 PolarHBondContact OD1-NH1 3.02Å; D2212-R2283 IonicContact OD1-NH2 3.33Å; D2212-R2283 PolarHBondContact OD1-NH2 3.13Å; D2212-R2283 IonicContact OD2-CZ 3.16Å; D2212-R2283 IonicContact OD2-NH1 3.28Å; D2212-R2283 PolarHBondContact OD2-NH1 3.16Å; D2212-R2283 IonicContact OD2-NH2 3.14Å; D2212-R2283 PolarHBondContact OD2-NH2 3.15Å | ||
| 2213 | W | 66 | Low | 67.9 | Low | 38.2 Ų | 38.2 | 64.6 Ų | 64.6 | 15% | 0.145 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -51 | -31.9 | -179.8 | -74.1 | 87.9 | 0 | 0 | 0 | 113.6 | P2176 L2179 L2208 N2211 K2215 F2216 L2217 | P2176-W2213 HydrophobicContact CB-CE3 4.36Å; P2176-W2213 HydrophobicContact CB-CH2 3.76Å; P2176-W2213 HydrophobicContact CB-CZ2 4.25Å; P2176-W2213 HydrophobicContact CB-CZ3 3.92Å; P2176-W2213 WeakPolarHBondContact O-CH2 3.41Å; P2176-W2213 WeakPolarHBondContact O-CZ3 3.28Å; L2179-W2213 HydrophobicContact CB-CH2 3.86Å; L2179-W2213 HydrophobicContact CD2-CH2 3.4Å; L2179-W2213 VanDerWaalsContact CD2-CH2 3.46Å; L2179-W2213 HydrophobicContact CD2-CZ2 3.61Å; L2179-W2213 HydrophobicContact CD2-CZ3 4.47Å; L2179-W2213 HydrophobicContact CG-CH2 4.27Å; L2208-W2213 HydrophobicContact CB-CZ2 4.5Å; L2208-W2213 HydrophobicContact CD2-CZ2 4.33Å; L2208-W2213 PolarHBondContact O-NE1 3.01Å; N2211-W2213 VanDerWaalsContact C-N 3.31Å; N2211-W2213 PolarHBondContact O-N 3.18Å; W2213-K2215 VanDerWaalsContact C-N 3.29Å; W2213-K2215 PolarHBondContact O-N 3.22Å; W2213-K2215 VanDerWaalsContact O-N 3.15Å; W2213-F2216 PolarHBondContact O-N 3.24Å; W2213-F2216 VanDerWaalsContact O-N 3.13Å; W2213-L2217 HydrophobicContact CB-CD1 4.38Å; W2213-L2217 VanDerWaalsContact O-CD1 3.3Å; W2213-L2217 WeakPolarHBondContact O-CD1 3.3Å; W2213-L2217 WeakPolarHBondContact O-CG 3.37Å; W2213-L2217 PolarHBondContact O-N 3.06Å; W2213-L2217 VanDerWaalsContact O-N 3.16Å |
| 2214 | N | 61.9 | Low | 65.6 | Low | 62.2 Ų | 62.2 | 66.4 Ų | 66.4 | 33% | 0.333 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.6 | -27.1 | 178.5 | -60 | -42.3 | 0 | 0 | 0 | 113 | D2212 F2216 N2218 R2283 | D2212-N2214 PolarHBondContact O-N 3.16Å; D2212-N2214 VanDerWaalsContact O-N 3.13Å; D2212-N2214 WeakPolarHBondContact OD1-CB 3.38Å; D2212-N2214 PolarHBondContact OD1-N 3.16Å; D2212-N2214 PolarHBondContact OD1-ND2 3.26Å; N2214-F2216 VanDerWaalsContact C-N 3.28Å; N2214-F2216 PolarHBondContact O-N 3.07Å; N2214-N2218 VanDerWaalsContact O-CB 3.22Å; N2214-N2218 WeakPolarHBondContact O-CB 3.46Å; N2214-N2218 VanDerWaalsContact O-CG 3.27Å; N2214-N2218 PolarHBondContact O-N 3.32Å; N2214-N2218 VanDerWaalsContact O-N 3.13Å; N2214-N2218 PolarHBondContact O-ND2 3.06Å; N2214-N2218 PolarHBondContact O-OD1 3.25Å; N2214-R2283 VanDerWaalsContact CG-NH2 3.27Å; N2214-R2283 PolarHBondContact ND2-NE 3.25Å; N2214-R2283 VanDerWaalsContact ND2-NE 3.19Å; N2214-R2283 PolarHBondContact ND2-NH1 3.3Å; N2214-R2283 PolarHBondContact ND2-NH2 3.07Å; N2214-R2283 PolarHBondContact OD1-NH2 3.33Å |
| 2215 | K | 64.7 | Low | 63.2 | Low | 151.6 Ų | 151.6 | 71.8 Ų | 71.8 | 66% | 0.659 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -66.1 | -35.4 | 175.4 | -110.2 | -177.3 | 179.7 | 178.7 | 0 | 111.7 | D2212 W2213 | D2212-K2215 HydrophobicContact CB-CB 4.45Å; D2212-K2215 HydrophobicContact CB-CD 4.22Å; D2212-K2215 HydrophobicContact CB-CG 4.19Å; D2212-K2215 WeakPolarHBondContact O-CB 3.32Å; D2212-K2215 PolarHBondContact O-N 3.05Å; D2212-K2215 VanDerWaalsContact OD2-CE 3.31Å; D2212-K2215 WeakPolarHBondContact OD2-CE 3.33Å; W2213-K2215 VanDerWaalsContact C-N 3.29Å; W2213-K2215 PolarHBondContact O-N 3.22Å; W2213-K2215 VanDerWaalsContact O-N 3.15Å |
| 2216 | F | 57.1 | Low | 60.9 | Low | 73 Ų | 73 | 73.2 Ų | 73.2 | 32% | 0.32 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -81.3 | -34.9 | -177.5 | -64.3 | -81.1 | 0 | 0 | 0 | 112.2 | P2176 D2212 W2213 N2214 S2219 | P2176-F2216 VanDerWaalsContact CD-CE1 3.47Å; P2176-F2216 HydrophobicContact CG-CB 4.34Å; P2176-F2216 HydrophobicContact CG-CD1 3.58Å; P2176-F2216 VanDerWaalsContact CG-CD1 3.48Å; P2176-F2216 HydrophobicContact CG-CD2 3.49Å; P2176-F2216 VanDerWaalsContact CG-CD2 3.46Å; P2176-F2216 HydrophobicContact CG-CE1 3.6Å; P2176-F2216 HydrophobicContact CG-CE2 3.51Å; P2176-F2216 VanDerWaalsContact CG-CE2 3.47Å; P2176-F2216 HydrophobicContact CG-CG 3.52Å; P2176-F2216 VanDerWaalsContact CG-CG 3.46Å; P2176-F2216 HydrophobicContact CG-CZ 3.55Å; P2176-F2216 VanDerWaalsContact CG-CZ 3.47Å; D2212-F2216 WeakPolarHBondContact O-CD2 3.39Å; W2213-F2216 PolarHBondContact O-N 3.24Å; W2213-F2216 VanDerWaalsContact O-N 3.13Å; N2214-F2216 VanDerWaalsContact C-N 3.28Å; N2214-F2216 PolarHBondContact O-N 3.07Å; F2216-S2219 WeakPolarHBondContact O-CB 3.42Å; F2216-S2219 PolarHBondContact O-N 3Å |
| 2217 | L | 49.8 | Very low | 58.6 | Low | 38 Ų | 38 | 78.2 Ų | 78.2 | 20% | 0.199 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -72.6 | -29.4 | 178.1 | -82.6 | 129.4 | 0 | 0 | 0 | 113.6 | W2213 S2219 S2222 G2226 S2229 | W2213-L2217 HydrophobicContact CB-CD1 4.38Å; W2213-L2217 VanDerWaalsContact O-CD1 3.3Å; W2213-L2217 WeakPolarHBondContact O-CD1 3.3Å; W2213-L2217 WeakPolarHBondContact O-CG 3.37Å; W2213-L2217 PolarHBondContact O-N 3.06Å; W2213-L2217 VanDerWaalsContact O-N 3.16Å; L2217-S2219 PolarHBondContact O-N 3.08Å; L2217-S2219 VanDerWaalsContact O-N 3.16Å; L2217-S2222 PolarHBondContact O-OG 2.86Å; L2217-G2226 WeakPolarHBondContact CD2-O 3.44Å; L2217-S2229 VanDerWaalsContact CD2-OG 3.26Å; L2217-S2229 WeakPolarHBondContact CD2-OG 3.4Å |
| 2218 | N | 46.6 | Very low | 56.5 | Low | 133.4 Ų | 133.4 | 79 Ų | 79 | 71% | 0.713 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 15.4 | 177.2 | -68 | -8.1 | 0 | 0 | 0 | 113.5 | N2214 | N2214-N2218 VanDerWaalsContact O-CB 3.22Å; N2214-N2218 WeakPolarHBondContact O-CB 3.46Å; N2214-N2218 VanDerWaalsContact O-CG 3.27Å; N2214-N2218 PolarHBondContact O-N 3.32Å; N2214-N2218 VanDerWaalsContact O-N 3.13Å; N2214-N2218 PolarHBondContact O-ND2 3.06Å; N2214-N2218 PolarHBondContact O-OD1 3.25Å |
| 2219 | S | 46.2 | Very low | 54.5 | Low | 61.2 Ų | 61.2 | 81 Ų | 81 | 43% | 0.428 | 46% | 0.462 | S | S | . | . | trans | -69.9 | 126.4 | 174.2 | -174 | 0 | 0 | 0 | 0 | 109.2 | F2216 L2217 N2221 S2222 | F2216-S2219 WeakPolarHBondContact O-CB 3.42Å; F2216-S2219 PolarHBondContact O-N 3Å; L2217-S2219 PolarHBondContact O-N 3.08Å; L2217-S2219 VanDerWaalsContact O-N 3.16Å; S2219-N2221 PolarHBondContact O-N 3.15Å; S2219-S2222 PolarHBondContact O-N 3.16Å; S2219-S2222 VanDerWaalsContact O-N 3.15Å; S2219-S2222 PolarHBondContact O-OG 2.81Å | ||
| 2220 | P | 47.1 | Very low | 53.1 | Low | 124.4 Ų | 124.4 | 81.7 Ų | 81.7 | 81% | 0.808 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -3.4 | -169.9 | 23.6 | -33.5 | 0 | 0 | 0 | 115.2 | ||
| 2221 | N | 46.7 | Very low | 51.7 | Low | 146.6 Ų | 146.6 | 83.4 Ų | 83.4 | 78% | 0.784 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 0.7 | -177.3 | -64.7 | 6.5 | 0 | 0 | 0 | 114.2 | S2219 S2223 | S2219-N2221 PolarHBondContact O-N 3.15Å; N2221-S2223 PolarHBondContact O-N 3.33Å |
| 2222 | S | 43.8 | Very low | 50.8 | Low | 61.2 Ų | 61.2 | 85.3 Ų | 85.3 | 43% | 0.428 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -87.7 | 97 | 170.5 | 66.7 | 0 | 0 | 0 | 0 | 110.2 | L2217 S2219 S2224 | L2217-S2222 PolarHBondContact O-OG 2.86Å; S2219-S2222 PolarHBondContact O-N 3.16Å; S2219-S2222 VanDerWaalsContact O-N 3.15Å; S2219-S2222 PolarHBondContact O-OG 2.81Å; S2222-S2224 PolarHBondContact O-N 3.09Å; S2222-S2224 VanDerWaalsContact O-N 3.07Å |
| 2223 | S | 40.2 | Very low | 50.7 | Low | 99.6 Ų | 99.6 | 83.8 Ų | 83.8 | 70% | 0.697 | 48% | 0.481 | S | S | * | . | trans | -48.9 | 115 | 171.2 | 47.4 | 0 | 0 | 0 | 0 | 111.7 | N2221 D2225 | N2221-S2223 PolarHBondContact O-N 3.33Å; S2223-D2225 PolarHBondContact O-N 3.12Å | ||
| 2224 | S | 44.6 | Very low | 50.8 | Low | 120.8 Ų | 120.8 | 86.2 Ų | 86.2 | 85% | 0.845 | 50% | 0.497 | S | S | * | . | S | Bend | trans | 41.7 | -14.8 | 162.7 | 36.7 | 0 | 0 | 0 | 0 | 122.1 | S2222 G2226 | S2222-S2224 PolarHBondContact O-N 3.09Å; S2222-S2224 VanDerWaalsContact O-N 3.07Å; S2224-G2226 PolarHBondContact O-N 3.15Å; S2224-G2226 VanDerWaalsContact O-N 3.08Å |
| 2225 | D | 42.8 | Very low | 51.6 | Low | 114.2 Ų | 114.2 | 89.1 Ų | 89.1 | 61% | 0.611 | 51% | 0.508 | S | S | * | . | trans | -96.4 | 26.9 | -179.4 | -78.4 | -21 | 0 | 0 | 0 | 113.1 | S2223 H2227 S2228 S2229 | S2223-D2225 PolarHBondContact O-N 3.12Å; D2225-H2227 PolarHBondContact O-N 3.09Å; D2225-H2227 VanDerWaalsContact O-N 3.12Å; D2225-S2228 PolarHBondContact O-N 3.12Å; D2225-S2228 PolarHBondContact O-OG 3.09Å; D2225-S2228 VanDerWaalsContact O-OG 3.13Å; D2225-S2229 PolarHBondContact O-N 3.16Å; D2225-S2229 PolarHBondContact O-OG 3.02Å | ||
| 2226 | G | 44.5 | Very low | 52.5 | Low | 29 Ų | 29 | 83 Ų | 83 | 30% | 0.299 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59 | -26.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L2217 S2224 S2229 S2230 | L2217-G2226 WeakPolarHBondContact CD2-O 3.44Å; S2224-G2226 PolarHBondContact O-N 3.15Å; S2224-G2226 VanDerWaalsContact O-N 3.08Å; G2226-S2229 WeakPolarHBondContact CA-OG 3.17Å; G2226-S2229 PolarHBondContact O-OG 3.3Å; G2226-S2229 VanDerWaalsContact O-OG 3.1Å; G2226-S2230 WeakPolarHBondContact O-CB 3.13Å; G2226-S2230 PolarHBondContact O-N 3.12Å |
| 2227 | H | 42.7 | Very low | 53.8 | Low | 172 Ų | 172 | 80.3 Ų | 80.3 | 80% | 0.796 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -75.7 | -39.2 | 178.4 | -81.2 | -57.8 | 0 | 0 | 0 | 113.7 | D2225 L2231 | D2225-H2227 PolarHBondContact O-N 3.09Å; D2225-H2227 VanDerWaalsContact O-N 3.12Å; H2227-L2231 WeakPolarHBondContact O-CB 3.44Å; H2227-L2231 WeakPolarHBondContact O-CD1 3.49Å; H2227-L2231 WeakPolarHBondContact O-CG 3.11Å; H2227-L2231 PolarHBondContact O-N 3.22Å |
| 2228 | S | 43.2 | Very low | 55.4 | Low | 59.8 Ų | 59.8 | 79.2 Ų | 79.2 | 42% | 0.418 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70 | -41.3 | -179.7 | 64.1 | 0 | 0 | 0 | 0 | 111.2 | D2225 S2230 L2231 I2232 | D2225-S2228 PolarHBondContact O-N 3.12Å; D2225-S2228 PolarHBondContact O-OG 3.09Å; D2225-S2228 VanDerWaalsContact O-OG 3.13Å; S2228-S2230 PolarHBondContact O-N 3.4Å; S2228-L2231 WeakPolarHBondContact O-CB 3.32Å; S2228-L2231 PolarHBondContact O-N 3.08Å; S2228-L2231 VanDerWaalsContact O-N 3.11Å; S2228-I2232 WeakPolarHBondContact O-CD1 3.4Å; S2228-I2232 VanDerWaalsContact O-CG1 3.27Å; S2228-I2232 WeakPolarHBondContact O-CG1 3.41Å; S2228-I2232 PolarHBondContact O-N 3.1Å; S2228-I2232 VanDerWaalsContact O-N 3.08Å |
| 2229 | S | 45.4 | Very low | 57.3 | Low | 43.4 Ų | 43.4 | 75.4 Ų | 75.4 | 30% | 0.303 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 178.8 | 55.2 | 0 | 0 | 0 | 0 | 113.8 | L2217 D2225 G2226 L2231 I2232 G2233 | L2217-S2229 VanDerWaalsContact CD2-OG 3.26Å; L2217-S2229 WeakPolarHBondContact CD2-OG 3.4Å; D2225-S2229 PolarHBondContact O-N 3.16Å; D2225-S2229 PolarHBondContact O-OG 3.02Å; G2226-S2229 WeakPolarHBondContact CA-OG 3.17Å; G2226-S2229 PolarHBondContact O-OG 3.3Å; G2226-S2229 VanDerWaalsContact O-OG 3.1Å; S2229-L2231 VanDerWaalsContact C-N 3.3Å; S2229-L2231 PolarHBondContact O-N 3.16Å; S2229-I2232 PolarHBondContact O-N 3.16Å; S2229-G2233 PolarHBondContact O-N 3.15Å; S2229-G2233 VanDerWaalsContact O-N 3.07Å |
| 2230 | S | 55.1 | Low | 59.4 | Low | 35.2 Ų | 35.2 | 72.5 Ų | 72.5 | 25% | 0.246 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.6 | -36.7 | 173.3 | 178.8 | 0 | 0 | 0 | 0 | 112.1 | G2226 S2228 G2233 N2234 | G2226-S2230 WeakPolarHBondContact O-CB 3.13Å; G2226-S2230 PolarHBondContact O-N 3.12Å; S2228-S2230 PolarHBondContact O-N 3.4Å; S2230-G2233 PolarHBondContact O-N 3.26Å; S2230-N2234 PolarHBondContact O-N 3.08Å; S2230-N2234 VanDerWaalsContact O-N 3.11Å; S2230-N2234 PolarHBondContact O-ND2 3.25Å |
| 2231 | L | 53.4 | Low | 61.4 | Low | 103.6 Ų | 103.6 | 66.6 Ų | 66.6 | 54% | 0.542 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.6 | -43.1 | 177.6 | -128.7 | 139.2 | 0 | 0 | 0 | 110.9 | H2227 S2228 S2229 G2233 N2234 Q2235 | H2227-L2231 WeakPolarHBondContact O-CB 3.44Å; H2227-L2231 WeakPolarHBondContact O-CD1 3.49Å; H2227-L2231 WeakPolarHBondContact O-CG 3.11Å; H2227-L2231 PolarHBondContact O-N 3.22Å; S2228-L2231 WeakPolarHBondContact O-CB 3.32Å; S2228-L2231 PolarHBondContact O-N 3.08Å; S2228-L2231 VanDerWaalsContact O-N 3.11Å; S2229-L2231 VanDerWaalsContact C-N 3.3Å; S2229-L2231 PolarHBondContact O-N 3.16Å; L2231-G2233 VanDerWaalsContact C-N 3.34Å; L2231-G2233 PolarHBondContact O-N 2.8Å; L2231-N2234 PolarHBondContact O-N 3.04Å; L2231-Q2235 HydrophobicContact CD2-CG 4.26Å; L2231-Q2235 WeakPolarHBondContact O-CB 3.42Å; L2231-Q2235 VanDerWaalsContact O-CG 3.31Å; L2231-Q2235 WeakPolarHBondContact O-CG 3.39Å; L2231-Q2235 PolarHBondContact O-N 2.95Å |
| 2232 | I | 56.1 | Low | 63.3 | Low | 81.6 Ų | 81.6 | 60.3 Ų | 60.3 | 42% | 0.418 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 174.6 | -67.6 | 160.1 | 0 | 0 | 0 | 110.8 | S2228 S2229 N2234 Q2235 I2236 | S2228-I2232 WeakPolarHBondContact O-CD1 3.4Å; S2228-I2232 VanDerWaalsContact O-CG1 3.27Å; S2228-I2232 WeakPolarHBondContact O-CG1 3.41Å; S2228-I2232 PolarHBondContact O-N 3.1Å; S2228-I2232 VanDerWaalsContact O-N 3.08Å; S2229-I2232 PolarHBondContact O-N 3.16Å; I2232-N2234 PolarHBondContact O-N 3.23Å; I2232-Q2235 PolarHBondContact O-N 3.11Å; I2232-I2236 HydrophobicContact CG2-CD1 3.71Å; I2232-I2236 HydrophobicContact CG2-CG1 4.41Å; I2232-I2236 WeakPolarHBondContact O-CB 3.39Å; I2232-I2236 VanDerWaalsContact O-CG1 3.28Å; I2232-I2236 WeakPolarHBondContact O-CG1 3.32Å; I2232-I2236 PolarHBondContact O-N 3.13Å |
| 2233 | G | 65.6 | Low | 65.5 | Low | 10 Ų | 10 | 60.9 Ų | 60.9 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.5 | -46 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S2229 S2230 L2231 Q2235 I2236 C2237 | S2229-G2233 PolarHBondContact O-N 3.15Å; S2229-G2233 VanDerWaalsContact O-N 3.07Å; S2230-G2233 PolarHBondContact O-N 3.26Å; L2231-G2233 VanDerWaalsContact C-N 3.34Å; L2231-G2233 PolarHBondContact O-N 2.8Å; G2233-Q2235 PolarHBondContact O-N 3.24Å; G2233-I2236 PolarHBondContact O-N 3.19Å; G2233-C2237 WeakPolarHBondContact O-CB 3.34Å; G2233-C2237 PolarHBondContact O-N 3.07Å; G2233-C2237 PolarHBondContact O-SG 3.15Å |
| 2234 | N | 70 | Confident | 67.8 | Low | 89.6 Ų | 89.6 | 56.2 Ų | 56.2 | 48% | 0.479 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 178.2 | -71.6 | -24.5 | 0 | 0 | 0 | 112.4 | S2230 L2231 I2232 C2237 T2238 | S2230-N2234 PolarHBondContact O-N 3.08Å; S2230-N2234 VanDerWaalsContact O-N 3.11Å; S2230-N2234 PolarHBondContact O-ND2 3.25Å; L2231-N2234 PolarHBondContact O-N 3.04Å; I2232-N2234 PolarHBondContact O-N 3.23Å; N2234-C2237 PolarHBondContact O-N 3.09Å; N2234-T2238 WeakPolarHBondContact O-CB 3.2Å; N2234-T2238 PolarHBondContact O-N 3.23Å; N2234-T2238 PolarHBondContact O-OG1 3.23Å |
| 2235 | Q | 77.5 | Confident | 69.9 | Low | 122.2 Ų | 122.2 | 50.4 Ų | 50.4 | 57% | 0.571 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63.9 | -45.5 | 175.6 | -75.3 | 176.2 | -12.4 | 0 | 0 | 111.6 | L2231 I2232 G2233 C2237 T2238 D2239 | L2231-Q2235 HydrophobicContact CD2-CG 4.26Å; L2231-Q2235 WeakPolarHBondContact O-CB 3.42Å; L2231-Q2235 VanDerWaalsContact O-CG 3.31Å; L2231-Q2235 WeakPolarHBondContact O-CG 3.39Å; L2231-Q2235 PolarHBondContact O-N 2.95Å; I2232-Q2235 PolarHBondContact O-N 3.11Å; G2233-Q2235 PolarHBondContact O-N 3.24Å; Q2235-C2237 PolarHBondContact O-N 3.41Å; Q2235-T2238 PolarHBondContact O-N 3.08Å; Q2235-D2239 PolarHBondContact O-N 3.22Å |
| 2236 | I | 83.1 | Confident | 71.8 | Confident | 24 Ų | 24 | 51 Ų | 51 | 12% | 0.123 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 176.4 | -67.5 | 168.7 | 0 | 0 | 0 | 110.6 | L2179 A2180 Y2183 I2232 G2233 T2238 D2239 I2240 | L2179-I2236 HydrophobicContact CD2-CG2 3.75Å; L2179-I2236 HydrophobicContact CG-CG2 4.3Å; A2180-I2236 HydrophobicContact CB-CD1 4.46Å; Y2183-I2236 HydrophobicContact CD1-CG1 4.45Å; Y2183-I2236 HydrophobicContact CD1-CG2 4.27Å; Y2183-I2236 HydrophobicContact CD2-CG2 3.73Å; Y2183-I2236 HydrophobicContact CE1-CG2 4.25Å; Y2183-I2236 HydrophobicContact CE2-CG2 3.73Å; Y2183-I2236 HydrophobicContact CG-CG2 4.01Å; I2232-I2236 HydrophobicContact CG2-CD1 3.71Å; I2232-I2236 HydrophobicContact CG2-CG1 4.41Å; I2232-I2236 WeakPolarHBondContact O-CB 3.39Å; I2232-I2236 VanDerWaalsContact O-CG1 3.28Å; I2232-I2236 WeakPolarHBondContact O-CG1 3.32Å; I2232-I2236 PolarHBondContact O-N 3.13Å; G2233-I2236 PolarHBondContact O-N 3.19Å; I2236-T2238 VanDerWaalsContact C-N 3.29Å; I2236-T2238 PolarHBondContact O-N 3.22Å; I2236-D2239 PolarHBondContact O-N 3.16Å; I2236-I2240 HydrophobicContact CG2-CD1 3.93Å; I2236-I2240 HydrophobicContact CG2-CG1 4.38Å; I2236-I2240 VanDerWaalsContact O-CG1 3.29Å; I2236-I2240 WeakPolarHBondContact O-CG1 3.43Å; I2236-I2240 PolarHBondContact O-N 3.14Å |
| 2237 | C | 84.2 | Confident | 73.8 | Confident | 16.2 Ų | 16.2 | 52.9 Ų | 52.9 | 11% | 0.109 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 177.2 | -67.8 | 0 | 0 | 0 | 0 | 112.1 | L2209 G2233 N2234 Q2235 I2240 C2241 | L2209-C2237 HydrophobicContact CD2-CB 3.72Å; G2233-C2237 WeakPolarHBondContact O-CB 3.34Å; G2233-C2237 PolarHBondContact O-N 3.07Å; G2233-C2237 PolarHBondContact O-SG 3.15Å; N2234-C2237 PolarHBondContact O-N 3.09Å; Q2235-C2237 PolarHBondContact O-N 3.41Å; C2237-I2240 PolarHBondContact O-N 3.06Å; C2237-C2241 PolarHBondContact O-N 3.25Å; C2237-C2241 VanDerWaalsContact O-N 3.12Å; C2237-C2241 PolarHBondContact O-SG 3.15Å; C2237-C2241 VanDerWaalsContact O-SG 3.38Å |
| 2238 | T | 84.4 | Confident | 75.7 | Confident | 16 Ų | 16 | 45.8 Ų | 45.8 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.9 | -45.1 | 175.9 | -55 | 0 | 0 | 0 | 0 | 110.8 | N2234 Q2235 I2236 I2240 C2241 L2242 S2290 V2291 | N2234-T2238 WeakPolarHBondContact O-CB 3.2Å; N2234-T2238 PolarHBondContact O-N 3.23Å; N2234-T2238 PolarHBondContact O-OG1 3.23Å; Q2235-T2238 PolarHBondContact O-N 3.08Å; I2236-T2238 VanDerWaalsContact C-N 3.29Å; I2236-T2238 PolarHBondContact O-N 3.22Å; T2238-I2240 PolarHBondContact O-N 2.9Å; T2238-C2241 PolarHBondContact O-N 3.15Å; T2238-L2242 HydrophobicContact CG2-CD1 4.26Å; T2238-L2242 VanDerWaalsContact O-CG 3.29Å; T2238-L2242 WeakPolarHBondContact O-CG 3.26Å; T2238-L2242 PolarHBondContact O-N 3.24Å; T2238-S2290 WeakPolarHBondContact CG2-O 3.33Å; T2238-S2290 WeakPolarHBondContact OG1-CB 3.36Å; T2238-S2290 PolarHBondContact OG1-OG 3.2Å; T2238-V2291 HydrophobicContact CG2-CG2 4.09Å |
| 2239 | D | 86.6 | Confident | 77.3 | Confident | 52.8 Ų | 52.8 | 49.4 Ų | 49.4 | 28% | 0.282 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63 | -41.8 | 176.7 | -171.2 | 42.7 | 0 | 0 | 0 | 111.8 | Y2183 Q2235 I2236 C2241 L2242 K2243 | Y2183-D2239 WeakPolarHBondContact OH-CB 3.28Å; Y2183-D2239 VanDerWaalsContact OH-CG 3.25Å; Y2183-D2239 PolarHBondContact OH-OD2 3.12Å; Q2235-D2239 PolarHBondContact O-N 3.22Å; I2236-D2239 PolarHBondContact O-N 3.16Å; D2239-C2241 VanDerWaalsContact C-N 3.34Å; D2239-C2241 PolarHBondContact O-N 3.21Å; D2239-L2242 PolarHBondContact O-N 3.21Å; D2239-L2242 VanDerWaalsContact O-N 3.14Å; D2239-K2243 VanDerWaalsContact O-CG 3.24Å; D2239-K2243 WeakPolarHBondContact O-CG 3.41Å; D2239-K2243 PolarHBondContact O-N 3.3Å; D2239-K2243 WeakPolarHBondContact OD1-CE 3.28Å; D2239-K2243 IonicContact OD1-NZ 2.8Å; D2239-K2243 WeakPolarHBondContact OD2-CE 3.19Å; D2239-K2243 IonicContact OD2-NZ 3.62Å |
| 2240 | I | 90.6 | Very high | 79.3 | Confident | 0.6 Ų | 0.6 | 48.6 Ų | 48.6 | 0% | 0.003 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -52.9 | -52.7 | 172.4 | -71.8 | 168.7 | 0 | 0 | 0 | 110.5 | Y2183 F2205 L2209 I2236 C2237 T2238 L2242 K2243 L2244 | Y2183-I2240 HydrophobicContact CD2-CG1 4.46Å; Y2183-I2240 HydrophobicContact CE2-CD1 4.01Å; Y2183-I2240 HydrophobicContact CE2-CG1 3.53Å; F2205-I2240 HydrophobicContact CB-CG2 3.64Å; F2205-I2240 HydrophobicContact CD1-CD1 4.11Å; F2205-I2240 HydrophobicContact CD1-CG1 4.36Å; F2205-I2240 HydrophobicContact CD1-CG2 4.38Å; F2205-I2240 HydrophobicContact CD2-CB 4.47Å; F2205-I2240 HydrophobicContact CD2-CG1 4.35Å; F2205-I2240 HydrophobicContact CD2-CG2 3.64Å; F2205-I2240 HydrophobicContact CE1-CD1 4.27Å; F2205-I2240 HydrophobicContact CE1-CG1 4.33Å; F2205-I2240 HydrophobicContact CE2-CG1 4.3Å; F2205-I2240 HydrophobicContact CE2-CG2 4.32Å; F2205-I2240 HydrophobicContact CG-CD1 4.42Å; F2205-I2240 HydrophobicContact CG-CG1 4.36Å; F2205-I2240 HydrophobicContact CG-CG2 3.67Å; F2205-I2240 HydrophobicContact CZ-CG1 4.29Å; L2209-I2240 HydrophobicContact CD1-CG2 3.77Å; L2209-I2240 HydrophobicContact CD2-CB 4.46Å; L2209-I2240 HydrophobicContact CD2-CG2 4.29Å; L2209-I2240 HydrophobicContact CG-CG2 4.12Å; I2236-I2240 HydrophobicContact CG2-CD1 3.93Å; I2236-I2240 HydrophobicContact CG2-CG1 4.38Å; I2236-I2240 VanDerWaalsContact O-CG1 3.29Å; I2236-I2240 WeakPolarHBondContact O-CG1 3.43Å; I2236-I2240 PolarHBondContact O-N 3.14Å; C2237-I2240 PolarHBondContact O-N 3.06Å; T2238-I2240 PolarHBondContact O-N 2.9Å; I2240-L2242 VanDerWaalsContact C-N 3.31Å; I2240-L2242 PolarHBondContact O-N 3.12Å; I2240-K2243 PolarHBondContact O-N 3.09Å; I2240-K2243 VanDerWaalsContact O-N 3.16Å; I2240-L2244 HydrophobicContact CG2-CD1 4Å; I2240-L2244 HydrophobicContact CG2-CG 4.37Å; I2240-L2244 WeakPolarHBondContact O-CG 3.42Å; I2240-L2244 PolarHBondContact O-N 3.23Å |
| 2241 | C | 88.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.6 | -42.8 | 179.2 | -68.2 | 0 | 0 | 0 | 0 | 111.7 | C2237 T2238 D2239 K2243 L2244 I2245 F2262 V2291 | C2237-C2241 PolarHBondContact O-N 3.25Å; C2237-C2241 VanDerWaalsContact O-N 3.12Å; C2237-C2241 PolarHBondContact O-SG 3.15Å; C2237-C2241 VanDerWaalsContact O-SG 3.38Å; T2238-C2241 PolarHBondContact O-N 3.15Å; D2239-C2241 VanDerWaalsContact C-N 3.34Å; D2239-C2241 PolarHBondContact O-N 3.21Å; C2241-K2243 VanDerWaalsContact C-N 3.34Å; C2241-K2243 PolarHBondContact O-N 3.05Å; C2241-L2244 PolarHBondContact O-N 3.16Å; C2241-I2245 WeakPolarHBondContact O-CD1 3.44Å; C2241-I2245 VanDerWaalsContact O-CG1 3.26Å; C2241-I2245 WeakPolarHBondContact O-CG1 3.39Å; C2241-I2245 PolarHBondContact O-N 3.09Å; C2241-F2262 HydrophobicContact CB-CE1 4.27Å; C2241-F2262 HydrophobicContact CB-CZ 4.49Å; C2241-V2291 HydrophobicContact CB-CB 4.49Å; C2241-V2291 HydrophobicContact CB-CG1 4.23Å; C2241-V2291 HydrophobicContact CB-CG2 3.44Å; C2241-V2291 VanDerWaalsContact CB-CG2 3.44Å |
| 2242 | L | 87.2 | Confident | 82.1 | Confident | 15.4 Ų | 15.4 | 53 Ų | 53 | 8% | 0.081 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.3 | -38 | 177.6 | -65.9 | 169.1 | 0 | 0 | 0 | 112.6 | T2238 D2239 I2240 R2246 V2291 T2294 L2295 | T2238-L2242 HydrophobicContact CG2-CD1 4.26Å; T2238-L2242 VanDerWaalsContact O-CG 3.29Å; T2238-L2242 WeakPolarHBondContact O-CG 3.26Å; T2238-L2242 PolarHBondContact O-N 3.24Å; D2239-L2242 PolarHBondContact O-N 3.21Å; D2239-L2242 VanDerWaalsContact O-N 3.14Å; I2240-L2242 VanDerWaalsContact C-N 3.31Å; I2240-L2242 PolarHBondContact O-N 3.12Å; L2242-R2246 VanDerWaalsContact O-CG 3.28Å; L2242-R2246 WeakPolarHBondContact O-CG 3.33Å; L2242-R2246 PolarHBondContact O-N 3.31Å; L2242-V2291 HydrophobicContact CD2-CG1 4.28Å; L2242-T2294 HydrophobicContact CD1-CG2 3.42Å; L2242-T2294 VanDerWaalsContact CD1-CG2 3.43Å; L2242-L2295 HydrophobicContact CD2-CD2 3.76Å; L2242-L2295 HydrophobicContact CD2-CG 3.79Å |
| 2243 | K | 88.7 | Confident | 83.8 | Confident | 72.8 Ų | 72.8 | 51.1 Ų | 51.1 | 32% | 0.317 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.5 | -39.3 | 175.8 | -62.8 | -75.6 | 178 | 171.6 | 0 | 111.1 | V2187 D2239 I2240 C2241 R2246 | V2187-K2243 HydrophobicContact CG2-CB 4.48Å; V2187-K2243 HydrophobicContact CG2-CD 4.22Å; V2187-K2243 HydrophobicContact CG2-CG 3.87Å; D2239-K2243 VanDerWaalsContact O-CG 3.24Å; D2239-K2243 WeakPolarHBondContact O-CG 3.41Å; D2239-K2243 PolarHBondContact O-N 3.3Å; D2239-K2243 WeakPolarHBondContact OD1-CE 3.28Å; D2239-K2243 IonicContact OD1-NZ 2.8Å; D2239-K2243 WeakPolarHBondContact OD2-CE 3.19Å; D2239-K2243 IonicContact OD2-NZ 3.62Å; I2240-K2243 PolarHBondContact O-N 3.09Å; I2240-K2243 VanDerWaalsContact O-N 3.16Å; C2241-K2243 VanDerWaalsContact C-N 3.34Å; C2241-K2243 PolarHBondContact O-N 3.05Å; K2243-R2246 PolarHBondContact O-N 2.83Å |
| 2244 | L | 90.2 | Very high | 85 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.5 | -43.2 | 176.5 | -68.2 | -179.7 | 0 | 0 | 0 | 112.4 | I2202 F2205 L2209 I2240 C2241 R2246 R2247 I2258 F2262 | I2202-L2244 HydrophobicContact CB-CD2 4.42Å; I2202-L2244 HydrophobicContact CG1-CD2 3.78Å; I2202-L2244 HydrophobicContact CG2-CD2 4.34Å; F2205-L2244 HydrophobicContact CB-CD1 4.31Å; F2205-L2244 HydrophobicContact CD2-CD2 4.31Å; F2205-L2244 HydrophobicContact CD2-CG 4.43Å; L2209-L2244 HydrophobicContact CD1-CD1 4.36Å; I2240-L2244 HydrophobicContact CG2-CD1 4Å; I2240-L2244 HydrophobicContact CG2-CG 4.37Å; I2240-L2244 WeakPolarHBondContact O-CG 3.42Å; I2240-L2244 PolarHBondContact O-N 3.23Å; C2241-L2244 PolarHBondContact O-N 3.16Å; L2244-R2246 VanDerWaalsContact C-N 3.26Å; L2244-R2246 PolarHBondContact O-N 3.26Å; L2244-R2247 WeakPolarHBondContact O-CA 3.37Å; L2244-R2247 WeakPolarHBondContact O-CB 3.37Å; L2244-R2247 PolarHBondContact O-N 3.21Å; L2244-I2258 HydrophobicContact CB-CG2 4.35Å; L2244-I2258 HydrophobicContact CD2-CG1 4.44Å; L2244-F2262 HydrophobicContact CB-CE1 4.45Å; L2244-F2262 HydrophobicContact CB-CE2 4.42Å; L2244-F2262 HydrophobicContact CB-CZ 3.75Å; L2244-F2262 HydrophobicContact CD1-CE1 4.44Å; L2244-F2262 HydrophobicContact CD1-CZ 4.48Å |
| 2245 | I | 86.7 | Confident | 85.8 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.3 | -40.4 | 176 | -71.1 | 162.8 | 0 | 0 | 0 | 110.9 | C2241 R2247 L2248 F2262 V2291 L2295 L2303 | C2241-I2245 WeakPolarHBondContact O-CD1 3.44Å; C2241-I2245 VanDerWaalsContact O-CG1 3.26Å; C2241-I2245 WeakPolarHBondContact O-CG1 3.39Å; C2241-I2245 PolarHBondContact O-N 3.09Å; I2245-R2247 PolarHBondContact O-N 3.1Å; I2245-L2248 HydrophobicContact CB-CD1 4.49Å; I2245-L2248 HydrophobicContact CG2-CD1 4.19Å; I2245-L2248 WeakPolarHBondContact O-CB 3.43Å; I2245-L2248 WeakPolarHBondContact O-CG 3.32Å; I2245-L2248 PolarHBondContact O-N 3.03Å; I2245-L2248 VanDerWaalsContact O-N 3.07Å; I2245-F2262 HydrophobicContact CD1-CZ 4.41Å; I2245-F2262 HydrophobicContact CG1-CE2 3.64Å; I2245-F2262 HydrophobicContact CG1-CZ 3.7Å; I2245-V2291 HydrophobicContact CD1-CG1 3.57Å; I2245-L2295 HydrophobicContact CD1-CD1 4.09Å; I2245-L2295 HydrophobicContact CD1-CD2 4.06Å; I2245-L2295 HydrophobicContact CD1-CG 4.49Å; I2245-L2295 HydrophobicContact CG2-CD2 4.1Å; I2245-L2303 HydrophobicContact CD1-CD1 3.76Å; I2245-L2303 HydrophobicContact CD1-CD2 4.43Å; I2245-L2303 HydrophobicContact CG1-CD1 4.23Å |
| 2246 | R | 84.4 | Confident | 86.3 | Confident | 125 Ų | 125 | 49.6 Ų | 49.6 | 47% | 0.472 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -3.9 | 175.9 | -68.3 | 175.3 | -169.1 | -170.3 | 5.7 | 114.2 | L2242 K2243 L2244 | L2242-R2246 VanDerWaalsContact O-CG 3.28Å; L2242-R2246 WeakPolarHBondContact O-CG 3.33Å; L2242-R2246 PolarHBondContact O-N 3.31Å; K2243-R2246 PolarHBondContact O-N 2.83Å; L2244-R2246 VanDerWaalsContact C-N 3.26Å; L2244-R2246 PolarHBondContact O-N 3.26Å |
| 2247 | R | 86.8 | Confident | 86.6 | Confident | 69.6 Ų | 69.6 | 49.6 Ų | 49.6 | 26% | 0.263 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 7.6 | 175.1 | -62.1 | -60.1 | 85.9 | -178.9 | 1.8 | 112.8 | V2190 L2244 I2245 H2249 D2250 I2254 I2258 | V2190-R2247 HydrophobicContact CG1-CG 3.56Å; L2244-R2247 WeakPolarHBondContact O-CA 3.37Å; L2244-R2247 WeakPolarHBondContact O-CB 3.37Å; L2244-R2247 PolarHBondContact O-N 3.21Å; I2245-R2247 PolarHBondContact O-N 3.1Å; R2247-H2249 PolarHBondContact O-N 3.14Å; R2247-D2250 HydrophobicContact CB-CB 4.44Å; R2247-D2250 WeakPolarHBondContact CD-OD2 3.3Å; R2247-D2250 IonicContact CZ-OD2 3.04Å; R2247-D2250 IonicContact NE-OD2 2.86Å; R2247-D2250 IonicContact NH1-OD2 3.2Å; R2247-D2250 PolarHBondContact NH1-OD2 3.34Å; R2247-D2250 WeakPolarHBondContact O-CB 3.37Å; R2247-D2250 PolarHBondContact O-N 3.19Å; R2247-D2250 VanDerWaalsContact O-N 3.1Å; R2247-I2254 HydrophobicContact CB-CG2 4.32Å; R2247-I2258 HydrophobicContact CB-CD1 3.44Å; R2247-I2258 VanDerWaalsContact CB-CD1 3.44Å; R2247-I2258 WeakPolarHBondContact O-CD1 3.5Å |
| 2248 | L | 82.6 | Confident | 86.9 | Confident | 22 Ų | 22 | 48.8 Ų | 48.8 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -15.7 | 173.2 | -73.6 | 168.7 | 0 | 0 | 0 | 113.7 | I2245 Q2255 I2258 F2306 | I2245-L2248 HydrophobicContact CB-CD1 4.49Å; I2245-L2248 HydrophobicContact CG2-CD1 4.19Å; I2245-L2248 WeakPolarHBondContact O-CB 3.43Å; I2245-L2248 WeakPolarHBondContact O-CG 3.32Å; I2245-L2248 PolarHBondContact O-N 3.03Å; I2245-L2248 VanDerWaalsContact O-N 3.07Å; L2248-Q2255 VanDerWaalsContact O-CD 3.24Å; L2248-Q2255 VanDerWaalsContact O-CG 3.26Å; L2248-Q2255 WeakPolarHBondContact O-CG 3.43Å; L2248-Q2255 PolarHBondContact O-NE2 3.13Å; L2248-I2258 HydrophobicContact CD2-CB 4.36Å; L2248-I2258 HydrophobicContact CD2-CG2 3.76Å; L2248-I2258 HydrophobicContact CG-CG2 4.29Å; L2248-F2306 HydrophobicContact CD1-CB 4.08Å; L2248-F2306 HydrophobicContact CD1-CG 4.47Å; L2248-F2306 HydrophobicContact CD2-CD2 4.17Å; L2248-F2306 HydrophobicContact CD2-CG 4.5Å |
| 2249 | H | 76.8 | Confident | 86.8 | Confident | 136.2 Ų | 136.2 | 49.1 Ų | 49.1 | 63% | 0.631 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 10.2 | 172.9 | -57.9 | -60.6 | 0 | 0 | 0 | 113.9 | R2247 L2302 | R2247-H2249 PolarHBondContact O-N 3.14Å; H2249-L2302 VanDerWaalsContact CE1-CD2 3.43Å; H2249-L2302 WeakPolarHBondContact CE1-CD2 3.31Å; H2249-L2302 WeakPolarHBondContact NE2-CD1 3.31Å; H2249-L2302 VanDerWaalsContact NE2-CD2 3.26Å; H2249-L2302 WeakPolarHBondContact NE2-CD2 3.36Å |
| 2250 | D | 86 | Confident | 86.8 | Confident | 26.6 Ų | 26.6 | 50.2 Ų | 50.2 | 14% | 0.142 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -81.2 | -169.2 | 179.9 | -145.7 | -49.4 | 0 | 0 | 0 | 111 | R2198 R2247 I2254 Q2255 | R2198-D2250 IonicContact CZ-OD1 2.85Å; R2198-D2250 VanDerWaalsContact CZ-OD1 3.29Å; R2198-D2250 IonicContact CZ-OD2 2.87Å; R2198-D2250 IonicContact NH1-OD1 3.64Å; R2198-D2250 PolarHBondContact NH1-OD1 2.88Å; R2198-D2250 IonicContact NH1-OD2 3.17Å; R2198-D2250 PolarHBondContact NH1-OD2 3.37Å; R2198-D2250 IonicContact NH2-OD1 3.65Å; R2198-D2250 PolarHBondContact NH2-OD1 3.24Å; R2198-D2250 IonicContact NH2-OD2 3.08Å; R2247-D2250 HydrophobicContact CB-CB 4.44Å; R2247-D2250 WeakPolarHBondContact CD-OD2 3.3Å; R2247-D2250 IonicContact CZ-OD2 3.04Å; R2247-D2250 IonicContact NE-OD2 2.86Å; R2247-D2250 IonicContact NH1-OD2 3.2Å; R2247-D2250 PolarHBondContact NH1-OD2 3.34Å; R2247-D2250 WeakPolarHBondContact O-CB 3.37Å; R2247-D2250 PolarHBondContact O-N 3.19Å; R2247-D2250 VanDerWaalsContact O-N 3.1Å; D2250-I2254 HydrophobicContact CB-CB 4.06Å; D2250-I2254 HydrophobicContact CB-CG2 3.71Å; D2250-Q2255 VanDerWaalsContact O-CG 3.32Å; D2250-Q2255 WeakPolarHBondContact O-CG 3.28Å; D2250-Q2255 PolarHBondContact O-NE2 3.27Å |
| 2251 | E | 84.7 | Confident | 86.6 | Confident | 101.4 Ų | 101.4 | 50.3 Ų | 50.3 | 47% | 0.474 | 24% | 0.237 | S | C | . | . | trans | -54.9 | 146.7 | 176.2 | -66.5 | -144.5 | 178.4 | 0 | 0 | 113.2 | V2195 S2253 I2254 Q2255 | V2195-E2251 HydrophobicContact CG2-CG 4.36Å; V2195-E2251 WeakPolarHBondContact CG2-OE1 3.2Å; V2195-E2251 VanDerWaalsContact CG2-OE2 3.25Å; V2195-E2251 WeakPolarHBondContact CG2-OE2 3.4Å; E2251-S2253 PolarHBondContact O-N 3.07Å; E2251-I2254 HydrophobicContact CB-CG1 4.27Å; E2251-I2254 WeakPolarHBondContact O-CA 3.37Å; E2251-I2254 WeakPolarHBondContact O-CB 3.33Å; E2251-I2254 PolarHBondContact O-N 3.2Å; E2251-Q2255 WeakPolarHBondContact O-CG 3.45Å; E2251-Q2255 PolarHBondContact O-N 3.16Å | ||
| 2252 | N | 84.1 | Confident | 86.6 | Confident | 129.6 Ų | 129.6 | 50.4 Ų | 50.4 | 69% | 0.693 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -49 | -36.3 | -179.3 | -64.7 | -7.3 | 0 | 0 | 0 | 113.8 | I2254 Q2255 K2256 | N2252-I2254 VanDerWaalsContact C-N 3.33Å; N2252-I2254 PolarHBondContact O-N 3.14Å; N2252-Q2255 PolarHBondContact O-N 3.27Å; N2252-K2256 WeakPolarHBondContact O-CB 3.35Å; N2252-K2256 PolarHBondContact O-N 3.08Å |
| 2253 | S | 90.6 | Very high | 86.5 | Confident | 42.6 Ų | 42.6 | 53 Ų | 53 | 30% | 0.298 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -76.1 | -18 | 179.8 | 71.7 | 0 | 0 | 0 | 0 | 114.6 | K2199 E2251 L2257 | K2199-S2253 VanDerWaalsContact CE-CB 3.45Å; K2199-S2253 WeakPolarHBondContact CE-OG 3.38Å; K2199-S2253 VanDerWaalsContact NZ-CB 3.27Å; K2199-S2253 PolarHBondContact NZ-OG 3.38Å; E2251-S2253 PolarHBondContact O-N 3.07Å; S2253-L2257 WeakPolarHBondContact O-CG 3.44Å |
| 2254 | I | 91.2 | Very high | 86.3 | Confident | 0.8 Ų | 0.8 | 53.4 Ų | 53.4 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -84.8 | -46.6 | 169.2 | -66.6 | -67.6 | 0 | 0 | 0 | 109.4 | V2195 R2198 K2199 I2202 R2247 D2250 E2251 N2252 K2256 L2257 I2258 | V2195-I2254 HydrophobicContact CG1-CD1 4.25Å; V2195-I2254 HydrophobicContact CG1-CG1 4.24Å; R2198-I2254 HydrophobicContact CB-CD1 3.71Å; K2199-I2254 HydrophobicContact CB-CD1 4.44Å; K2199-I2254 HydrophobicContact CG-CD1 3.64Å; I2202-I2254 HydrophobicContact CD1-CB 4.48Å; I2202-I2254 HydrophobicContact CD1-CD1 3.7Å; I2202-I2254 HydrophobicContact CD1-CG2 3.68Å; R2247-I2254 HydrophobicContact CB-CG2 4.32Å; D2250-I2254 HydrophobicContact CB-CB 4.06Å; D2250-I2254 HydrophobicContact CB-CG2 3.71Å; E2251-I2254 HydrophobicContact CB-CG1 4.27Å; E2251-I2254 WeakPolarHBondContact O-CA 3.37Å; E2251-I2254 WeakPolarHBondContact O-CB 3.33Å; E2251-I2254 PolarHBondContact O-N 3.2Å; N2252-I2254 VanDerWaalsContact C-N 3.33Å; N2252-I2254 PolarHBondContact O-N 3.14Å; I2254-K2256 VanDerWaalsContact C-N 3.33Å; I2254-K2256 PolarHBondContact O-N 2.94Å; I2254-L2257 PolarHBondContact O-N 3.04Å; I2254-L2257 VanDerWaalsContact O-N 3.14Å; I2254-I2258 HydrophobicContact CG2-CD1 3.59Å; I2254-I2258 HydrophobicContact CG2-CG1 4.43Å; I2254-I2258 WeakPolarHBondContact O-CG1 3.3Å; I2254-I2258 PolarHBondContact O-N 3.2Å |
| 2255 | Q | 87.4 | Confident | 86.1 | Confident | 56.2 Ų | 56.2 | 54.1 Ų | 54.1 | 26% | 0.263 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -51.7 | -52.5 | 175.3 | -61.2 | -177.5 | 4 | 0 | 0 | 110.7 | L2248 D2250 E2251 N2252 L2257 I2258 T2259 | L2248-Q2255 VanDerWaalsContact O-CD 3.24Å; L2248-Q2255 VanDerWaalsContact O-CG 3.26Å; L2248-Q2255 WeakPolarHBondContact O-CG 3.43Å; L2248-Q2255 PolarHBondContact O-NE2 3.13Å; D2250-Q2255 VanDerWaalsContact O-CG 3.32Å; D2250-Q2255 WeakPolarHBondContact O-CG 3.28Å; D2250-Q2255 PolarHBondContact O-NE2 3.27Å; E2251-Q2255 WeakPolarHBondContact O-CG 3.45Å; E2251-Q2255 PolarHBondContact O-N 3.16Å; N2252-Q2255 PolarHBondContact O-N 3.27Å; Q2255-L2257 VanDerWaalsContact C-N 3.32Å; Q2255-L2257 PolarHBondContact O-N 3.05Å; Q2255-I2258 WeakPolarHBondContact O-CA 3.47Å; Q2255-I2258 WeakPolarHBondContact O-CB 3.44Å; Q2255-I2258 PolarHBondContact O-N 3.28Å; Q2255-I2258 VanDerWaalsContact O-N 3.15Å; Q2255-T2259 WeakPolarHBondContact O-CB 3.28Å; Q2255-T2259 PolarHBondContact O-N 3.14Å; Q2255-T2259 PolarHBondContact O-OG1 3.02Å; Q2255-T2259 VanDerWaalsContact O-OG1 3.1Å |
| 2256 | K | 87.8 | Confident | 86.1 | Confident | 133.8 Ų | 133.8 | 54.4 Ų | 54.4 | 58% | 0.582 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -54.5 | -43.6 | 178.4 | -178.3 | 171.6 | 177.4 | 170 | 0 | 113.5 | N2252 I2254 T2259 E2260 | N2252-K2256 WeakPolarHBondContact O-CB 3.35Å; N2252-K2256 PolarHBondContact O-N 3.08Å; I2254-K2256 VanDerWaalsContact C-N 3.33Å; I2254-K2256 PolarHBondContact O-N 2.94Å; K2256-T2259 WeakPolarHBondContact O-CB 3.42Å; K2256-T2259 PolarHBondContact O-N 3.02Å; K2256-E2260 WeakPolarHBondContact CE-OE1 3.36Å; K2256-E2260 HydrophobicContact CG-CG 4.43Å; K2256-E2260 WeakPolarHBondContact CG-OE1 3.21Å; K2256-E2260 IonicContact NZ-OE1 3.6Å; K2256-E2260 WeakPolarHBondContact O-CB 3.38Å; K2256-E2260 VanDerWaalsContact O-CG 3.29Å; K2256-E2260 WeakPolarHBondContact O-CG 3.3Å; K2256-E2260 PolarHBondContact O-N 3.24Å |
| 2257 | L | 88.6 | Confident | 86.1 | Confident | 23.4 Ų | 23.4 | 49.3 Ų | 49.3 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.5 | -34.9 | 179.4 | -75.5 | 173.4 | 0 | 0 | 0 | 112.9 | K2199 I2202 S2253 I2254 Q2255 T2259 A2261 | K2199-L2257 HydrophobicContact CB-CD1 3.73Å; K2199-L2257 HydrophobicContact CD-CD1 4.15Å; K2199-L2257 HydrophobicContact CG-CD1 3.56Å; I2202-L2257 HydrophobicContact CG2-CB 3.98Å; S2253-L2257 WeakPolarHBondContact O-CG 3.44Å; I2254-L2257 PolarHBondContact O-N 3.04Å; I2254-L2257 VanDerWaalsContact O-N 3.14Å; Q2255-L2257 VanDerWaalsContact C-N 3.32Å; Q2255-L2257 PolarHBondContact O-N 3.05Å; L2257-T2259 VanDerWaalsContact C-N 3.34Å; L2257-A2261 VanDerWaalsContact O-CB 3.28Å; L2257-A2261 WeakPolarHBondContact O-CB 3.31Å; L2257-A2261 PolarHBondContact O-N 3.11Å |
| 2258 | I | 90.3 | Very high | 86 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.7 | -42.2 | 176.2 | -66 | 161.9 | 0 | 0 | 0 | 109.5 | I2202 L2244 R2247 L2248 I2254 Q2255 A2261 F2262 | I2202-I2258 HydrophobicContact CD1-CD1 4.26Å; I2202-I2258 HydrophobicContact CD1-CG1 4.09Å; I2202-I2258 HydrophobicContact CG1-CG1 4.44Å; I2202-I2258 HydrophobicContact CG2-CG1 4.14Å; L2244-I2258 HydrophobicContact CB-CG2 4.35Å; L2244-I2258 HydrophobicContact CD2-CG1 4.44Å; R2247-I2258 HydrophobicContact CB-CD1 3.44Å; R2247-I2258 VanDerWaalsContact CB-CD1 3.44Å; R2247-I2258 WeakPolarHBondContact O-CD1 3.5Å; L2248-I2258 HydrophobicContact CD2-CB 4.36Å; L2248-I2258 HydrophobicContact CD2-CG2 3.76Å; L2248-I2258 HydrophobicContact CG-CG2 4.29Å; I2254-I2258 HydrophobicContact CG2-CD1 3.59Å; I2254-I2258 HydrophobicContact CG2-CG1 4.43Å; I2254-I2258 WeakPolarHBondContact O-CG1 3.3Å; I2254-I2258 PolarHBondContact O-N 3.2Å; Q2255-I2258 WeakPolarHBondContact O-CA 3.47Å; Q2255-I2258 WeakPolarHBondContact O-CB 3.44Å; Q2255-I2258 PolarHBondContact O-N 3.28Å; Q2255-I2258 VanDerWaalsContact O-N 3.15Å; I2258-A2261 PolarHBondContact O-N 3.14Å; I2258-F2262 HydrophobicContact CG2-CD2 3.71Å; I2258-F2262 HydrophobicContact CG2-CE2 3.4Å; I2258-F2262 VanDerWaalsContact CG2-CE2 3.42Å; I2258-F2262 HydrophobicContact CG2-CZ 4.17Å; I2258-F2262 WeakPolarHBondContact O-CD2 3.48Å; I2258-F2262 PolarHBondContact O-N 2.93Å |
| 2259 | T | 83.6 | Confident | 86.2 | Confident | 21.4 Ų | 21.4 | 49.4 Ų | 49.4 | 13% | 0.131 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.1 | -54.2 | 173.6 | -65.8 | 0 | 0 | 0 | 0 | 111.5 | Q2255 K2256 L2257 A2261 F2262 Q2263 F2306 D2310 | Q2255-T2259 WeakPolarHBondContact O-CB 3.28Å; Q2255-T2259 PolarHBondContact O-N 3.14Å; Q2255-T2259 PolarHBondContact O-OG1 3.02Å; Q2255-T2259 VanDerWaalsContact O-OG1 3.1Å; K2256-T2259 WeakPolarHBondContact O-CB 3.42Å; K2256-T2259 PolarHBondContact O-N 3.02Å; L2257-T2259 VanDerWaalsContact C-N 3.34Å; T2259-A2261 VanDerWaalsContact C-N 3.29Å; T2259-A2261 PolarHBondContact O-N 3.12Å; T2259-F2262 PolarHBondContact O-N 3.32Å; T2259-Q2263 HydrophobicContact CG2-CG 4.39Å; T2259-Q2263 VanDerWaalsContact CG2-NE2 3.27Å; T2259-Q2263 WeakPolarHBondContact O-CB 3.32Å; T2259-Q2263 VanDerWaalsContact O-CG 3.29Å; T2259-Q2263 WeakPolarHBondContact O-CG 3.3Å; T2259-Q2263 PolarHBondContact O-N 3.02Å; T2259-F2306 VanDerWaalsContact CA-CE2 3.49Å; T2259-F2306 HydrophobicContact CG2-CE2 3.69Å; T2259-F2306 HydrophobicContact CG2-CZ 4.32Å; T2259-F2306 WeakPolarHBondContact OG1-CE2 3.33Å; T2259-D2310 VanDerWaalsContact CG2-OD1 3.27Å; T2259-D2310 WeakPolarHBondContact CG2-OD1 3.36Å; T2259-D2310 VanDerWaalsContact CG2-OD2 3.29Å; T2259-D2310 WeakPolarHBondContact CG2-OD2 3.32Å |
| 2260 | E | 86.1 | Confident | 86.6 | Confident | 75.2 Ų | 75.2 | 43.8 Ų | 43.8 | 35% | 0.351 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -56.6 | -42.7 | 176.2 | -73.8 | 169.7 | -176.6 | 0 | 0 | 111.6 | K2256 F2262 Q2263 E2264 | K2256-E2260 WeakPolarHBondContact CE-OE1 3.36Å; K2256-E2260 HydrophobicContact CG-CG 4.43Å; K2256-E2260 WeakPolarHBondContact CG-OE1 3.21Å; K2256-E2260 IonicContact NZ-OE1 3.6Å; K2256-E2260 WeakPolarHBondContact O-CB 3.38Å; K2256-E2260 VanDerWaalsContact O-CG 3.29Å; K2256-E2260 WeakPolarHBondContact O-CG 3.3Å; K2256-E2260 PolarHBondContact O-N 3.24Å; E2260-F2262 PolarHBondContact O-N 3.28Å; E2260-Q2263 PolarHBondContact O-N 3.11Å; E2260-E2264 WeakPolarHBondContact O-CB 3.32Å; E2260-E2264 PolarHBondContact O-N 3.06Å |
| 2261 | A | 87.3 | Confident | 86.6 | Confident | 4.2 Ų | 4.2 | 45.9 Ų | 45.9 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | R2206 L2257 I2258 T2259 L2265 | R2206-A2261 HydrophobicContact CB-CB 3.89Å; R2206-A2261 HydrophobicContact CG-CB 3.74Å; L2257-A2261 VanDerWaalsContact O-CB 3.28Å; L2257-A2261 WeakPolarHBondContact O-CB 3.31Å; L2257-A2261 PolarHBondContact O-N 3.11Å; I2258-A2261 PolarHBondContact O-N 3.14Å; T2259-A2261 VanDerWaalsContact C-N 3.29Å; T2259-A2261 PolarHBondContact O-N 3.12Å; A2261-L2265 VanDerWaalsContact O-CB 3.24Å; A2261-L2265 WeakPolarHBondContact O-CB 3.28Å; A2261-L2265 PolarHBondContact O-N 3.11Å |
| 2262 | F | 87.9 | Confident | 86.3 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -75.7 | -32.4 | 177.4 | -69.1 | -34.7 | 0 | 0 | 0 | 113 | C2241 L2244 I2245 I2258 T2259 E2260 E2264 L2265 W2266 F2306 | C2241-F2262 HydrophobicContact CB-CE1 4.27Å; C2241-F2262 HydrophobicContact CB-CZ 4.49Å; L2244-F2262 HydrophobicContact CB-CE1 4.45Å; L2244-F2262 HydrophobicContact CB-CE2 4.42Å; L2244-F2262 HydrophobicContact CB-CZ 3.75Å; L2244-F2262 HydrophobicContact CD1-CE1 4.44Å; L2244-F2262 HydrophobicContact CD1-CZ 4.48Å; I2245-F2262 HydrophobicContact CD1-CZ 4.41Å; I2245-F2262 HydrophobicContact CG1-CE2 3.64Å; I2245-F2262 HydrophobicContact CG1-CZ 3.7Å; I2258-F2262 HydrophobicContact CG2-CD2 3.71Å; I2258-F2262 HydrophobicContact CG2-CE2 3.4Å; I2258-F2262 VanDerWaalsContact CG2-CE2 3.42Å; I2258-F2262 HydrophobicContact CG2-CZ 4.17Å; I2258-F2262 WeakPolarHBondContact O-CD2 3.48Å; I2258-F2262 PolarHBondContact O-N 2.93Å; T2259-F2262 PolarHBondContact O-N 3.32Å; E2260-F2262 PolarHBondContact O-N 3.28Å; F2262-E2264 VanDerWaalsContact C-N 3.34Å; F2262-L2265 HydrophobicContact CD1-CD2 4.35Å; F2262-L2265 PolarHBondContact O-N 3.01Å; F2262-W2266 HydrophobicContact CB-CE3 3.95Å; F2262-W2266 HydrophobicContact CB-CZ3 3.97Å; F2262-W2266 HydrophobicContact CD1-CE3 4.1Å; F2262-W2266 AromaticContact CD1-CH2 3.72Å; F2262-W2266 HydrophobicContact CD1-CH2 3.72Å; F2262-W2266 HydrophobicContact CD1-CZ2 4.4Å; F2262-W2266 AromaticContact CD1-CZ3 3.53Å; F2262-W2266 HydrophobicContact CD1-CZ3 3.53Å; F2262-W2266 VanDerWaalsContact CD1-CZ3 3.43Å; F2262-W2266 HydrophobicContact CD2-CZ3 4.26Å; F2262-W2266 AromaticContact CE1-CH2 3.81Å; F2262-W2266 HydrophobicContact CE1-CH2 3.81Å; F2262-W2266 HydrophobicContact CE1-CZ2 4.48Å; F2262-W2266 AromaticContact CE1-CZ3 3.95Å; F2262-W2266 HydrophobicContact CE1-CZ3 4.04Å; F2262-W2266 HydrophobicContact CG-CE3 4.16Å; F2262-W2266 HydrophobicContact CG-CH2 4.29Å; F2262-W2266 AromaticContact CG-CZ3 3.67Å; F2262-W2266 HydrophobicContact CG-CZ3 3.67Å; F2262-W2266 HydrophobicContact CZ-CH2 4.43Å; F2262-W2266 PolarHBondContact O-N 3.23Å; F2262-F2306 HydrophobicContact CB-CE1 3.81Å; F2262-F2306 HydrophobicContact CB-CZ 3.7Å; F2262-F2306 HydrophobicContact CD2-CE1 4.29Å; F2262-F2306 HydrophobicContact CD2-CZ 4.34Å; F2262-F2306 HydrophobicContact CG-CE1 4.45Å; F2262-F2306 HydrophobicContact CG-CZ 4.48Å |
| 2263 | Q | 84.1 | Confident | 86.1 | Confident | 70.2 Ų | 70.2 | 48.6 Ų | 48.6 | 33% | 0.328 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 170.9 | -73.5 | 178.1 | 0.1 | 0 | 0 | 111.3 | T2259 E2260 L2267 T2268 F2306 D2310 | T2259-Q2263 HydrophobicContact CG2-CG 4.39Å; T2259-Q2263 VanDerWaalsContact CG2-NE2 3.27Å; T2259-Q2263 WeakPolarHBondContact O-CB 3.32Å; T2259-Q2263 VanDerWaalsContact O-CG 3.29Å; T2259-Q2263 WeakPolarHBondContact O-CG 3.3Å; T2259-Q2263 PolarHBondContact O-N 3.02Å; E2260-Q2263 PolarHBondContact O-N 3.11Å; Q2263-L2267 HydrophobicContact CG-CD1 4.34Å; Q2263-L2267 CarbonylContact O-C 3.4Å; Q2263-L2267 VanDerWaalsContact O-C 3.24Å; Q2263-L2267 WeakPolarHBondContact O-CA 3.35Å; Q2263-L2267 PolarHBondContact O-N 3.11Å; Q2263-T2268 PolarHBondContact O-N 3.19Å; Q2263-T2268 VanDerWaalsContact O-N 3.09Å; Q2263-T2268 PolarHBondContact O-OG1 3.2Å; Q2263-F2306 HydrophobicContact CG-CZ 4.47Å; Q2263-D2310 PolarHBondContact NE2-OD2 3.24Å |
| 2264 | E | 86 | Confident | 85.5 | Confident | 80.4 Ų | 80.4 | 50.8 Ų | 50.8 | 38% | 0.376 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.7 | -41.9 | 176.3 | -164.4 | 173.7 | -176.8 | 0 | 0 | 112 | R2206 L2210 E2260 F2262 T2268 R2284 | R2206-E2264 WeakPolarHBondContact CD-OE2 3.36Å; R2206-E2264 IonicContact CZ-OE2 2.69Å; R2206-E2264 IonicContact NE-OE2 3.52Å; R2206-E2264 IonicContact NH1-OE2 2.91Å; R2206-E2264 PolarHBondContact NH1-OE2 2.97Å; L2210-E2264 HydrophobicContact CD1-CB 4.49Å; L2210-E2264 VanDerWaalsContact CD1-CD 3.46Å; L2210-E2264 HydrophobicContact CD1-CG 3.83Å; L2210-E2264 WeakPolarHBondContact CD1-OE1 3.37Å; L2210-E2264 WeakPolarHBondContact CD1-OE2 3.42Å; L2210-E2264 HydrophobicContact CD2-CB 4.44Å; L2210-E2264 HydrophobicContact CD2-CG 4.02Å; E2260-E2264 WeakPolarHBondContact O-CB 3.32Å; E2260-E2264 PolarHBondContact O-N 3.06Å; F2262-E2264 VanDerWaalsContact C-N 3.34Å; E2264-T2268 WeakPolarHBondContact CA-OG1 3.38Å; E2264-T2268 PolarHBondContact O-OG1 3.34Å; E2264-R2284 PolarHBondContact O-NH2 3.11Å; E2264-R2284 VanDerWaalsContact O-NH2 3.17Å |
| 2265 | L | 85.6 | Confident | 85 | Confident | 14.8 Ų | 14.8 | 56.4 Ų | 56.4 | 8% | 0.077 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.8 | -45.9 | -178.2 | -175.4 | 63.3 | 0 | 0 | 0 | 113 | L2209 L2210 A2261 F2262 R2284 | L2209-L2265 HydrophobicContact CB-CD1 4.05Å; L2209-L2265 HydrophobicContact CB-CD2 4.39Å; L2209-L2265 HydrophobicContact CD1-CD2 4.18Å; L2210-L2265 HydrophobicContact CD2-CB 4.49Å; L2210-L2265 HydrophobicContact CD2-CD1 4.22Å; A2261-L2265 VanDerWaalsContact O-CB 3.24Å; A2261-L2265 WeakPolarHBondContact O-CB 3.28Å; A2261-L2265 PolarHBondContact O-N 3.11Å; F2262-L2265 HydrophobicContact CD1-CD2 4.35Å; F2262-L2265 PolarHBondContact O-N 3.01Å; L2265-R2284 VanDerWaalsContact O-CD 3.27Å; L2265-R2284 WeakPolarHBondContact O-CD 3.34Å; L2265-R2284 WeakPolarHBondContact O-CG 3.38Å; L2265-R2284 PolarHBondContact O-NE 2.95Å |
| 2266 | W | 85.6 | Confident | 84.6 | Confident | 7.8 Ų | 7.8 | 59.9 Ų | 59.9 | 3% | 0.03 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -114.4 | -41.2 | -171.7 | -60.8 | -42.1 | 0 | 0 | 0 | 113.7 | F2262 S2287 L2288 V2291 L2303 I2330 | F2262-W2266 HydrophobicContact CB-CE3 3.95Å; F2262-W2266 HydrophobicContact CB-CZ3 3.97Å; F2262-W2266 HydrophobicContact CD1-CE3 4.1Å; F2262-W2266 AromaticContact CD1-CH2 3.72Å; F2262-W2266 HydrophobicContact CD1-CH2 3.72Å; F2262-W2266 HydrophobicContact CD1-CZ2 4.4Å; F2262-W2266 AromaticContact CD1-CZ3 3.53Å; F2262-W2266 HydrophobicContact CD1-CZ3 3.53Å; F2262-W2266 VanDerWaalsContact CD1-CZ3 3.43Å; F2262-W2266 HydrophobicContact CD2-CZ3 4.26Å; F2262-W2266 AromaticContact CE1-CH2 3.81Å; F2262-W2266 HydrophobicContact CE1-CH2 3.81Å; F2262-W2266 HydrophobicContact CE1-CZ2 4.48Å; F2262-W2266 AromaticContact CE1-CZ3 3.95Å; F2262-W2266 HydrophobicContact CE1-CZ3 4.04Å; F2262-W2266 HydrophobicContact CG-CE3 4.16Å; F2262-W2266 HydrophobicContact CG-CH2 4.29Å; F2262-W2266 AromaticContact CG-CZ3 3.67Å; F2262-W2266 HydrophobicContact CG-CZ3 3.67Å; F2262-W2266 HydrophobicContact CZ-CH2 4.43Å; F2262-W2266 PolarHBondContact O-N 3.23Å; W2266-S2287 PolarHBondContact NE1-OG 3.13Å; W2266-L2288 HydrophobicContact CD2-CB 4.48Å; W2266-L2288 HydrophobicContact CD2-CD1 3.82Å; W2266-L2288 HydrophobicContact CE3-CD1 3.89Å; W2266-L2288 HydrophobicContact CG-CB 4.48Å; W2266-L2288 HydrophobicContact CG-CD1 4.35Å; W2266-L2288 HydrophobicContact CH2-CD1 4.16Å; W2266-L2288 HydrophobicContact CZ2-CD1 4.09Å; W2266-L2288 HydrophobicContact CZ3-CD1 4.06Å; W2266-V2291 HydrophobicContact CH2-CG1 4.3Å; W2266-V2291 HydrophobicContact CH2-CG2 4.49Å; W2266-V2291 HydrophobicContact CZ2-CB 4.47Å; W2266-V2291 HydrophobicContact CZ2-CG2 4.14Å; W2266-L2303 HydrophobicContact CZ3-CD1 4.39Å; W2266-I2330 WeakPolarHBondContact O-CD1 3.31Å |
| 2267 | L | 85 | Confident | 84.4 | Confident | 17.6 Ų | 17.6 | 56.2 Ų | 56.2 | 9% | 0.092 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -105.7 | 16.5 | -160.7 | -56 | 161.8 | 0 | 0 | 0 | 114.9 | Q2263 F2306 F2323 A2326 I2330 | Q2263-L2267 HydrophobicContact CG-CD1 4.34Å; Q2263-L2267 CarbonylContact O-C 3.4Å; Q2263-L2267 VanDerWaalsContact O-C 3.24Å; Q2263-L2267 WeakPolarHBondContact O-CA 3.35Å; Q2263-L2267 PolarHBondContact O-N 3.11Å; L2267-F2306 HydrophobicContact CD1-CE1 4.39Å; L2267-F2323 HydrophobicContact CB-CD2 4.07Å; L2267-F2323 HydrophobicContact CB-CE2 4.27Å; L2267-F2323 HydrophobicContact CD1-CD2 4.1Å; L2267-F2323 HydrophobicContact CD1-CE2 3.63Å; L2267-F2323 HydrophobicContact CD2-CD2 4.25Å; L2267-F2323 HydrophobicContact CD2-CE2 3.78Å; L2267-F2323 HydrophobicContact CD2-CZ 4.43Å; L2267-F2323 HydrophobicContact CG-CD2 4.35Å; L2267-F2323 HydrophobicContact CG-CE2 4.09Å; L2267-A2326 VanDerWaalsContact C-CB 3.41Å; L2267-A2326 WeakPolarHBondContact O-CB 3.3Å; L2267-I2330 HydrophobicContact CD2-CD1 4.34Å |
| 2268 | T | 85.4 | Confident | 84.1 | Confident | 55.6 Ų | 55.6 | 57.2 Ų | 57.2 | 34% | 0.341 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -93.1 | 126.8 | 173.6 | -57.2 | 0 | 0 | 0 | 0 | 110.4 | Q2263 E2264 I2270 R2284 | Q2263-T2268 PolarHBondContact O-N 3.19Å; Q2263-T2268 VanDerWaalsContact O-N 3.09Å; Q2263-T2268 PolarHBondContact O-OG1 3.2Å; E2264-T2268 WeakPolarHBondContact CA-OG1 3.38Å; E2264-T2268 PolarHBondContact O-OG1 3.34Å; T2268-I2270 PolarHBondContact O-N 3.25Å; T2268-R2284 PolarHBondContact O-NH1 3.03Å |
| 2269 | P | 86 | Confident | 83.7 | Confident | 39.2 Ų | 39.2 | 63.8 Ų | 63.8 | 26% | 0.255 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 134.5 | -177.7 | 27.4 | -34.1 | 0 | 0 | 0 | 111.2 | Q2322 A2325 A2326 | P2269-Q2322 WeakPolarHBondContact CD-O 3.39Å; P2269-Q2322 HydrophobicContact CG-CB 3.85Å; P2269-Q2322 HydrophobicContact CG-CG 4.34Å; P2269-A2325 HydrophobicContact CB-CB 3.98Å; P2269-A2325 HydrophobicContact CG-CB 4.46Å; P2269-A2326 HydrophobicContact CB-CB 4.41Å |
| 2270 | I | 85.4 | Confident | 83.7 | Confident | 17.2 Ų | 17.2 | 64.5 Ų | 64.5 | 9% | 0.088 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -91.6 | 131.6 | 177.3 | -53.1 | 173.4 | 0 | 0 | 0 | 108.1 | T2268 K2272 H2274 F2277 V2280 L2281 R2284 Q2329 | T2268-I2270 PolarHBondContact O-N 3.25Å; I2270-K2272 PolarHBondContact O-N 3.12Å; I2270-H2274 HydrophobicContact CG2-CB 4.05Å; I2270-F2277 HydrophobicContact CB-CD2 3.92Å; I2270-F2277 HydrophobicContact CB-CE2 3.97Å; I2270-F2277 HydrophobicContact CG2-CD2 3.72Å; I2270-F2277 HydrophobicContact CG2-CE2 4.3Å; I2270-F2277 WeakPolarHBondContact O-CE2 3.36Å; I2270-V2280 HydrophobicContact CD1-CB 3.99Å; I2270-V2280 HydrophobicContact CD1-CG1 3.56Å; I2270-V2280 VanDerWaalsContact CD1-CG1 3.49Å; I2270-L2281 HydrophobicContact CD1-CB 4.18Å; I2270-L2281 HydrophobicContact CD1-CD1 4.08Å; I2270-L2281 HydrophobicContact CD1-CD2 3.75Å; I2270-L2281 HydrophobicContact CD1-CG 4.13Å; I2270-L2281 HydrophobicContact CG1-CD1 4.38Å; I2270-R2284 VanDerWaalsContact CG1-NH1 3.3Å; I2270-Q2329 PolarHBondContact O-NE2 3.13Å; I2270-Q2329 PolarHBondContact O-OE1 2.91Å |
| 2271 | S | 85 | Confident | 83.6 | Confident | 72 Ų | 72 | 61.1 Ų | 61.1 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 134.8 | 174.3 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | S2273 H2274 F2277 | S2271-S2273 PolarHBondContact O-N 3.06Å; S2271-S2273 VanDerWaalsContact O-N 3.15Å; S2271-S2273 PolarHBondContact OG-N 3.28Å; S2271-S2273 PolarHBondContact OG-OG 3.19Å; S2271-H2274 VanDerWaalsContact O-CB 3.24Å; S2271-H2274 WeakPolarHBondContact O-CB 3.31Å; S2271-H2274 PolarHBondContact O-N 2.79Å; S2271-F2277 WeakPolarHBondContact O-CD2 3.36Å |
| 2272 | K | 79.3 | Confident | 83.5 | Confident | 182.6 Ų | 182.6 | 62.1 Ų | 62.1 | 79% | 0.794 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -22.6 | 174.9 | -66.8 | -178 | -179.2 | 177.3 | 0 | 112.7 | I2270 H2274 | I2270-K2272 PolarHBondContact O-N 3.12Å; K2272-H2274 PolarHBondContact O-N 2.88Å |
| 2273 | S | 79.2 | Confident | 83.1 | Confident | 105.4 Ų | 105.4 | 66.1 Ų | 66.1 | 74% | 0.737 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -10 | 175.6 | 63 | 0 | 0 | 0 | 0 | 114 | S2271 S2275 | S2271-S2273 PolarHBondContact O-N 3.06Å; S2271-S2273 VanDerWaalsContact O-N 3.15Å; S2271-S2273 PolarHBondContact OG-N 3.28Å; S2271-S2273 PolarHBondContact OG-OG 3.19Å; S2273-S2275 PolarHBondContact O-N 3.25Å |
| 2274 | H | 78.9 | Confident | 83.2 | Confident | 87.8 Ų | 87.8 | 64.9 Ų | 64.9 | 41% | 0.406 | 34% | 0.336 | S | S | . | . | trans | -67.8 | 118.1 | -178.8 | -168.2 | -81.4 | 0 | 0 | 0 | 110.5 | I2270 S2271 K2272 R2276 F2277 | I2270-H2274 HydrophobicContact CG2-CB 4.05Å; S2271-H2274 VanDerWaalsContact O-CB 3.24Å; S2271-H2274 WeakPolarHBondContact O-CB 3.31Å; S2271-H2274 PolarHBondContact O-N 2.79Å; K2272-H2274 PolarHBondContact O-N 2.88Å; H2274-R2276 PolarHBondContact ND1-N 3.15Å; H2274-R2276 PolarHBondContact O-N 2.95Å; H2274-F2277 HydrophobicContact CB-CB 4.38Å; H2274-F2277 PolarHBondContact ND1-N 2.93Å; H2274-F2277 VanDerWaalsContact O-CB 3.25Å; H2274-F2277 WeakPolarHBondContact O-CB 3.38Å; H2274-F2277 PolarHBondContact O-N 3.16Å | ||
| 2275 | S | 81.1 | Confident | 83.2 | Confident | 118.8 Ų | 118.8 | 61.2 Ų | 61.2 | 83% | 0.831 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -23.4 | -175.2 | 62 | 0 | 0 | 0 | 0 | 114.8 | S2273 | S2273-S2275 PolarHBondContact O-N 3.25Š|
| 2276 | R | 78.8 | Confident | 83.1 | Confident | 130.2 Ų | 130.2 | 64.4 Ų | 64.4 | 49% | 0.491 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | 20.3 | 176.4 | -58.6 | -177.9 | -175.9 | 174.1 | 0.6 | 114 | D2212 H2274 S2278 K2279 V2280 | D2212-R2276 IonicContact OD2-NH1 2.76Å; H2274-R2276 PolarHBondContact ND1-N 3.15Å; H2274-R2276 PolarHBondContact O-N 2.95Å; R2276-S2278 VanDerWaalsContact C-N 3.31Å; R2276-S2278 PolarHBondContact O-N 3.15Å; R2276-S2278 VanDerWaalsContact O-N 3.16Å; R2276-K2279 HydrophobicContact CB-CB 4.4Å; R2276-K2279 WeakPolarHBondContact O-CA 3.42Å; R2276-K2279 PolarHBondContact O-N 3.15Å; R2276-V2280 HydrophobicContact CB-CG2 4.25Å; R2276-V2280 WeakPolarHBondContact O-CG2 3.21Å; R2276-V2280 PolarHBondContact O-N 3.25Å |
| 2277 | F | 83 | Confident | 82.9 | Confident | 55.6 Ų | 55.6 | 65.4 Ų | 65.4 | 24% | 0.244 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -40.1 | -57 | -175.4 | 173.3 | -99.8 | 0 | 0 | 0 | 112.8 | I2270 S2271 H2274 K2279 V2280 L2281 Q2329 | I2270-F2277 HydrophobicContact CB-CD2 3.92Å; I2270-F2277 HydrophobicContact CB-CE2 3.97Å; I2270-F2277 HydrophobicContact CG2-CD2 3.72Å; I2270-F2277 HydrophobicContact CG2-CE2 4.3Å; I2270-F2277 WeakPolarHBondContact O-CE2 3.36Å; S2271-F2277 WeakPolarHBondContact O-CD2 3.36Å; H2274-F2277 HydrophobicContact CB-CB 4.38Å; H2274-F2277 PolarHBondContact ND1-N 2.93Å; H2274-F2277 VanDerWaalsContact O-CB 3.25Å; H2274-F2277 WeakPolarHBondContact O-CB 3.38Å; H2274-F2277 PolarHBondContact O-N 3.16Å; F2277-K2279 VanDerWaalsContact C-N 3.33Å; F2277-K2279 PolarHBondContact O-N 2.96Å; F2277-V2280 PolarHBondContact O-N 3.24Å; F2277-L2281 HydrophobicContact CD1-CD1 4.12Å; F2277-L2281 HydrophobicContact CD2-CD1 4.3Å; F2277-L2281 HydrophobicContact CE1-CD1 3.52Å; F2277-L2281 HydrophobicContact CE1-CD2 4.18Å; F2277-L2281 HydrophobicContact CE2-CD1 4.05Å; F2277-L2281 HydrophobicContact CE2-CG 4.45Å; F2277-L2281 HydrophobicContact CG-CD1 4.48Å; F2277-L2281 HydrophobicContact CZ-CD1 3.75Å; F2277-L2281 HydrophobicContact CZ-CD2 4.1Å; F2277-L2281 HydrophobicContact CZ-CG 4.44Å; F2277-L2281 WeakPolarHBondContact O-CB 3.37Å; F2277-L2281 PolarHBondContact O-N 2.95Å; F2277-Q2329 HydrophobicContact CZ-CG 4.3Å |
| 2278 | S | 83.1 | Confident | 82.9 | Confident | 45.2 Ų | 45.2 | 64.9 Ų | 64.9 | 32% | 0.316 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.6 | -38.8 | 179.6 | 177.9 | 0 | 0 | 0 | 0 | 113.7 | R2276 D2282 R2333 | R2276-S2278 VanDerWaalsContact C-N 3.31Å; R2276-S2278 PolarHBondContact O-N 3.15Å; R2276-S2278 VanDerWaalsContact O-N 3.16Å; S2278-D2282 WeakPolarHBondContact O-CB 3.38Å; S2278-D2282 PolarHBondContact O-N 3.12Å; S2278-R2333 VanDerWaalsContact OG-CZ 3.24Å; S2278-R2333 PolarHBondContact OG-NH1 3.12Å; S2278-R2333 PolarHBondContact OG-NH2 3.34Å |
| 2279 | K | 81.7 | Confident | 82.9 | Confident | 138.4 Ų | 138.4 | 62.6 Ų | 62.6 | 60% | 0.602 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -74.3 | -36.2 | -178.3 | -68.2 | -176.5 | 178.5 | 179.8 | 0 | 111.7 | R2276 F2277 L2281 R2283 | R2276-K2279 HydrophobicContact CB-CB 4.4Å; R2276-K2279 WeakPolarHBondContact O-CA 3.42Å; R2276-K2279 PolarHBondContact O-N 3.15Å; F2277-K2279 VanDerWaalsContact C-N 3.33Å; F2277-K2279 PolarHBondContact O-N 2.96Å; K2279-L2281 VanDerWaalsContact C-N 3.33Å; K2279-R2283 WeakPolarHBondContact O-CD 3.39Å; K2279-R2283 VanDerWaalsContact O-CG 3.27Å; K2279-R2283 WeakPolarHBondContact O-CG 3.39Å; K2279-R2283 PolarHBondContact O-N 3.06Å; K2279-R2283 VanDerWaalsContact O-N 3.11Å |
| 2280 | V | 82.1 | Confident | 82.8 | Confident | 35.6 Ų | 35.6 | 62.3 Ų | 62.3 | 22% | 0.216 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.3 | -43.6 | 176.4 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | I2270 R2276 F2277 D2282 R2283 R2284 | I2270-V2280 HydrophobicContact CD1-CB 3.99Å; I2270-V2280 HydrophobicContact CD1-CG1 3.56Å; I2270-V2280 VanDerWaalsContact CD1-CG1 3.49Å; R2276-V2280 HydrophobicContact CB-CG2 4.25Å; R2276-V2280 WeakPolarHBondContact O-CG2 3.21Å; R2276-V2280 PolarHBondContact O-N 3.25Å; F2277-V2280 PolarHBondContact O-N 3.24Å; V2280-D2282 PolarHBondContact O-N 3.28Å; V2280-R2283 WeakPolarHBondContact O-CB 3.21Å; V2280-R2283 PolarHBondContact O-N 3.25Å; V2280-R2284 PolarHBondContact O-N 3.08Å; V2280-R2284 VanDerWaalsContact O-N 3.09Å |
| 2281 | L | 85.7 | Confident | 82.7 | Confident | 3.4 Ų | 3.4 | 61.5 Ų | 61.5 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.6 | -40.8 | 177.3 | -126.2 | 141.8 | 0 | 0 | 0 | 112.3 | I2270 F2277 K2279 R2283 R2284 I2285 Q2329 I2330 R2333 | I2270-L2281 HydrophobicContact CD1-CB 4.18Å; I2270-L2281 HydrophobicContact CD1-CD1 4.08Å; I2270-L2281 HydrophobicContact CD1-CD2 3.75Å; I2270-L2281 HydrophobicContact CD1-CG 4.13Å; I2270-L2281 HydrophobicContact CG1-CD1 4.38Å; F2277-L2281 HydrophobicContact CD1-CD1 4.12Å; F2277-L2281 HydrophobicContact CD2-CD1 4.3Å; F2277-L2281 HydrophobicContact CE1-CD1 3.52Å; F2277-L2281 HydrophobicContact CE1-CD2 4.18Å; F2277-L2281 HydrophobicContact CE2-CD1 4.05Å; F2277-L2281 HydrophobicContact CE2-CG 4.45Å; F2277-L2281 HydrophobicContact CG-CD1 4.48Å; F2277-L2281 HydrophobicContact CZ-CD1 3.75Å; F2277-L2281 HydrophobicContact CZ-CD2 4.1Å; F2277-L2281 HydrophobicContact CZ-CG 4.44Å; F2277-L2281 WeakPolarHBondContact O-CB 3.37Å; F2277-L2281 PolarHBondContact O-N 2.95Å; K2279-L2281 VanDerWaalsContact C-N 3.33Å; L2281-R2283 VanDerWaalsContact C-N 3.3Å; L2281-R2283 PolarHBondContact O-N 3.13Å; L2281-R2284 PolarHBondContact O-N 3.11Å; L2281-I2285 HydrophobicContact CD2-CD1 3.62Å; L2281-I2285 HydrophobicContact CD2-CG1 4.3Å; L2281-I2285 HydrophobicContact CG-CD1 4.24Å; L2281-I2285 WeakPolarHBondContact O-CB 3.36Å; L2281-I2285 WeakPolarHBondContact O-CG1 3.36Å; L2281-I2285 PolarHBondContact O-N 3.11Å; L2281-Q2329 HydrophobicContact CD1-CB 3.96Å; L2281-Q2329 HydrophobicContact CD1-CG 4.49Å; L2281-Q2329 HydrophobicContact CD2-CB 4.19Å; L2281-I2330 HydrophobicContact CD1-CG1 4.48Å; L2281-R2333 HydrophobicContact CB-CB 4.49Å; L2281-R2333 HydrophobicContact CB-CG 4.18Å; L2281-R2333 HydrophobicContact CD1-CB 4.31Å; L2281-R2333 HydrophobicContact CD1-CG 4.46Å; L2281-R2333 HydrophobicContact CD2-CB 3.25Å; L2281-R2333 HydrophobicContact CD2-CG 3.49Å; L2281-R2333 HydrophobicContact CG-CB 3.95Å; L2281-R2333 HydrophobicContact CG-CG 3.95Å |
| 2282 | D | 84.2 | Confident | 82.6 | Confident | 26 Ų | 26 | 58.4 Ų | 58.4 | 14% | 0.139 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.8 | -42.3 | 173.3 | -75.5 | -9.6 | 0 | 0 | 0 | 111.8 | S2278 V2280 I2285 I2286 R2333 | S2278-D2282 WeakPolarHBondContact O-CB 3.38Å; S2278-D2282 PolarHBondContact O-N 3.12Å; V2280-D2282 PolarHBondContact O-N 3.28Å; D2282-I2285 PolarHBondContact O-N 3.26Å; D2282-I2286 WeakPolarHBondContact O-CB 3.41Å; D2282-I2286 WeakPolarHBondContact O-CD1 3.36Å; D2282-I2286 VanDerWaalsContact O-CG1 3.23Å; D2282-I2286 WeakPolarHBondContact O-CG1 3.38Å; D2282-I2286 PolarHBondContact O-N 3.09Å; D2282-R2333 VanDerWaalsContact CG-NH2 3.3Å; D2282-R2333 IonicContact OD1-CZ 3.27Å; D2282-R2333 VanDerWaalsContact OD1-CZ 3.26Å; D2282-R2333 IonicContact OD1-NE 2.89Å; D2282-R2333 PolarHBondContact OD1-NE 3.21Å; D2282-R2333 IonicContact OD1-NH2 3.27Å; D2282-R2333 PolarHBondContact OD1-NH2 3.12Å; D2282-R2333 IonicContact OD2-CZ 3.34Å; D2282-R2333 IonicContact OD2-NE 2.95Å; D2282-R2333 IonicContact OD2-NH2 3.42Å; D2282-R2333 PolarHBondContact OD2-NH2 3.28Å |
| 2283 | R | 80 | Confident | 82.6 | Confident | 84.8 Ų | 84.8 | 53 Ų | 53 | 32% | 0.32 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 177.3 | -72.7 | 167.3 | 178.7 | -179.2 | -6.8 | 112.3 | D2212 N2214 K2279 V2280 L2281 I2285 I2286 S2287 | D2212-R2283 IonicContact OD1-CZ 3.25Å; D2212-R2283 VanDerWaalsContact OD1-CZ 3.22Å; D2212-R2283 IonicContact OD1-NH1 3.1Å; D2212-R2283 PolarHBondContact OD1-NH1 3.02Å; D2212-R2283 IonicContact OD1-NH2 3.33Å; D2212-R2283 PolarHBondContact OD1-NH2 3.13Å; D2212-R2283 IonicContact OD2-CZ 3.16Å; D2212-R2283 IonicContact OD2-NH1 3.28Å; D2212-R2283 PolarHBondContact OD2-NH1 3.16Å; D2212-R2283 IonicContact OD2-NH2 3.14Å; D2212-R2283 PolarHBondContact OD2-NH2 3.15Å; N2214-R2283 VanDerWaalsContact CG-NH2 3.27Å; N2214-R2283 PolarHBondContact ND2-NE 3.25Å; N2214-R2283 VanDerWaalsContact ND2-NE 3.19Å; N2214-R2283 PolarHBondContact ND2-NH1 3.3Å; N2214-R2283 PolarHBondContact ND2-NH2 3.07Å; N2214-R2283 PolarHBondContact OD1-NH2 3.33Å; K2279-R2283 WeakPolarHBondContact O-CD 3.39Å; K2279-R2283 VanDerWaalsContact O-CG 3.27Å; K2279-R2283 WeakPolarHBondContact O-CG 3.39Å; K2279-R2283 PolarHBondContact O-N 3.06Å; K2279-R2283 VanDerWaalsContact O-N 3.11Å; V2280-R2283 WeakPolarHBondContact O-CB 3.21Å; V2280-R2283 PolarHBondContact O-N 3.25Å; L2281-R2283 VanDerWaalsContact C-N 3.3Å; L2281-R2283 PolarHBondContact O-N 3.13Å; R2283-I2285 VanDerWaalsContact C-N 3.33Å; R2283-I2285 PolarHBondContact O-N 3.23Å; R2283-I2286 PolarHBondContact O-N 3.31Å; R2283-S2287 VanDerWaalsContact O-CB 3.32Å; R2283-S2287 WeakPolarHBondContact O-CB 3.36Å; R2283-S2287 PolarHBondContact O-N 3.18Å |
| 2284 | R | 85.6 | Confident | 82.6 | Confident | 45.4 Ų | 45.4 | 51.8 Ų | 51.8 | 17% | 0.171 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 176.1 | -75.6 | -174.8 | 168.6 | 173.9 | -4.6 | 111.7 | E2264 L2265 T2268 I2270 V2280 L2281 S2287 L2288 | E2264-R2284 PolarHBondContact O-NH2 3.11Å; E2264-R2284 VanDerWaalsContact O-NH2 3.17Å; L2265-R2284 VanDerWaalsContact O-CD 3.27Å; L2265-R2284 WeakPolarHBondContact O-CD 3.34Å; L2265-R2284 WeakPolarHBondContact O-CG 3.38Å; L2265-R2284 PolarHBondContact O-NE 2.95Å; T2268-R2284 PolarHBondContact O-NH1 3.03Å; I2270-R2284 VanDerWaalsContact CG1-NH1 3.3Å; V2280-R2284 PolarHBondContact O-N 3.08Å; V2280-R2284 VanDerWaalsContact O-N 3.09Å; L2281-R2284 PolarHBondContact O-N 3.11Å; R2284-S2287 PolarHBondContact O-N 3.17Å; R2284-L2288 WeakPolarHBondContact O-CB 3.34Å; R2284-L2288 PolarHBondContact O-N 3.26Å |
| 2285 | I | 86.7 | Confident | 82.4 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.8 | -45 | 177.6 | -74.1 | 168.6 | 0 | 0 | 0 | 111.5 | L2281 D2282 R2283 S2287 L2288 A2289 I2330 R2333 L2334 L2337 L2378 | L2281-I2285 HydrophobicContact CD2-CD1 3.62Å; L2281-I2285 HydrophobicContact CD2-CG1 4.3Å; L2281-I2285 HydrophobicContact CG-CD1 4.24Å; L2281-I2285 WeakPolarHBondContact O-CB 3.36Å; L2281-I2285 WeakPolarHBondContact O-CG1 3.36Å; L2281-I2285 PolarHBondContact O-N 3.11Å; D2282-I2285 PolarHBondContact O-N 3.26Å; R2283-I2285 VanDerWaalsContact C-N 3.33Å; R2283-I2285 PolarHBondContact O-N 3.23Å; I2285-S2287 VanDerWaalsContact C-N 3.32Å; I2285-S2287 PolarHBondContact O-N 3.15Å; I2285-L2288 PolarHBondContact O-N 3.11Å; I2285-A2289 VanDerWaalsContact O-CB 3.27Å; I2285-A2289 WeakPolarHBondContact O-CB 3.25Å; I2285-A2289 PolarHBondContact O-N 3.31Å; I2285-I2330 HydrophobicContact CG1-CG2 4.29Å; I2285-R2333 HydrophobicContact CD1-CB 3.7Å; I2285-R2333 HydrophobicContact CD1-CG 3.63Å; I2285-L2334 HydrophobicContact CB-CD2 4.48Å; I2285-L2334 HydrophobicContact CD1-CD2 4.29Å; I2285-L2334 HydrophobicContact CD1-CG 4.01Å; I2285-L2334 HydrophobicContact CG1-CD2 4.33Å; I2285-L2334 HydrophobicContact CG1-CG 4.2Å; I2285-L2334 HydrophobicContact CG2-CD2 3.43Å; I2285-L2334 VanDerWaalsContact CG2-CD2 3.42Å; I2285-L2334 HydrophobicContact CG2-CG 4.17Å; I2285-L2337 HydrophobicContact CB-CD1 4.33Å; I2285-L2337 HydrophobicContact CD1-CD1 4.01Å; I2285-L2337 HydrophobicContact CG2-CD1 3.81Å; I2285-L2378 HydrophobicContact CG2-CD2 3.48Å; I2285-L2378 VanDerWaalsContact CG2-CD2 3.45Å |
| 2286 | I | 82.8 | Confident | 81.6 | Confident | 82.8 Ų | 82.8 | 51.8 Ų | 51.8 | 43% | 0.425 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.5 | -40.4 | 178.7 | -69.6 | 164 | 0 | 0 | 0 | 110.7 | D2282 R2283 A2289 S2290 | D2282-I2286 WeakPolarHBondContact O-CB 3.41Å; D2282-I2286 WeakPolarHBondContact O-CD1 3.36Å; D2282-I2286 VanDerWaalsContact O-CG1 3.23Å; D2282-I2286 WeakPolarHBondContact O-CG1 3.38Å; D2282-I2286 PolarHBondContact O-N 3.09Å; R2283-I2286 PolarHBondContact O-N 3.31Å; I2286-A2289 PolarHBondContact O-N 3.23Å; I2286-S2290 WeakPolarHBondContact O-CB 3.44Å; I2286-S2290 PolarHBondContact O-N 2.95Å; I2286-S2290 PolarHBondContact O-OG 3.21Å |
| 2287 | S | 82.7 | Confident | 80.8 | Confident | 27.6 Ų | 27.6 | 50.4 Ų | 50.4 | 19% | 0.193 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 174.2 | 168.1 | 0 | 0 | 0 | 0 | 111.8 | W2266 R2283 R2284 I2285 A2289 S2290 V2291 | W2266-S2287 PolarHBondContact NE1-OG 3.13Å; R2283-S2287 VanDerWaalsContact O-CB 3.32Å; R2283-S2287 WeakPolarHBondContact O-CB 3.36Å; R2283-S2287 PolarHBondContact O-N 3.18Å; R2284-S2287 PolarHBondContact O-N 3.17Å; I2285-S2287 VanDerWaalsContact C-N 3.32Å; I2285-S2287 PolarHBondContact O-N 3.15Å; S2287-A2289 VanDerWaalsContact C-N 3.31Å; S2287-A2289 PolarHBondContact O-N 3.06Å; S2287-S2290 PolarHBondContact O-N 3.29Å; S2287-S2290 PolarHBondContact O-OG 3.16Å; S2287-S2290 VanDerWaalsContact O-OG 3.1Å; S2287-V2291 WeakPolarHBondContact O-CG2 3.41Å; S2287-V2291 PolarHBondContact O-N 3.34Å; S2287-V2291 VanDerWaalsContact O-N 3.12Å |
| 2288 | L | 84.9 | Confident | 79.6 | Confident | 8.2 Ų | 8.2 | 53.9 Ų | 53.9 | 4% | 0.043 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 176.8 | -175.2 | 60.2 | 0 | 0 | 0 | 110.6 | W2266 R2284 I2285 S2290 V2291 T2292 L2303 C2381 L2384 V2385 | W2266-L2288 HydrophobicContact CD2-CB 4.48Å; W2266-L2288 HydrophobicContact CD2-CD1 3.82Å; W2266-L2288 HydrophobicContact CE3-CD1 3.89Å; W2266-L2288 HydrophobicContact CG-CB 4.48Å; W2266-L2288 HydrophobicContact CG-CD1 4.35Å; W2266-L2288 HydrophobicContact CH2-CD1 4.16Å; W2266-L2288 HydrophobicContact CZ2-CD1 4.09Å; W2266-L2288 HydrophobicContact CZ3-CD1 4.06Å; R2284-L2288 WeakPolarHBondContact O-CB 3.34Å; R2284-L2288 PolarHBondContact O-N 3.26Å; I2285-L2288 PolarHBondContact O-N 3.11Å; L2288-S2290 PolarHBondContact O-N 3.39Å; L2288-V2291 WeakPolarHBondContact O-CB 3.47Å; L2288-V2291 PolarHBondContact O-N 3.24Å; L2288-V2291 VanDerWaalsContact O-N 3.14Å; L2288-T2292 VanDerWaalsContact O-CB 3.3Å; L2288-T2292 WeakPolarHBondContact O-CB 3.25Å; L2288-T2292 PolarHBondContact O-N 3.37Å; L2288-T2292 PolarHBondContact O-OG1 3.14Å; L2288-L2303 HydrophobicContact CD1-CD2 4.41Å; L2288-C2381 VanDerWaalsContact C-SG 3.51Å; L2288-C2381 HydrophobicContact CD2-CB 4.33Å; L2288-C2381 VanDerWaalsContact CD2-SG 3.59Å; L2288-C2381 WeakPolarHBondContact CD2-SG 3.35Å; L2288-C2381 HydrophobicContact CG-CB 4.47Å; L2288-C2381 VanDerWaalsContact CG-SG 3.56Å; L2288-L2384 HydrophobicContact CD1-CD2 4.13Å; L2288-L2384 HydrophobicContact CG-CD2 4.47Å; L2288-V2385 HydrophobicContact CD2-CG2 4.41Å |
| 2289 | A | 84.8 | Confident | 78.4 | Confident | 7.2 Ų | 7.2 | 53.4 Ų | 53.4 | 6% | 0.06 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I2285 I2286 S2287 V2291 T2292 I2293 G2377 L2378 C2381 | I2285-A2289 VanDerWaalsContact O-CB 3.27Å; I2285-A2289 WeakPolarHBondContact O-CB 3.25Å; I2285-A2289 PolarHBondContact O-N 3.31Å; I2286-A2289 PolarHBondContact O-N 3.23Å; S2287-A2289 VanDerWaalsContact C-N 3.31Å; S2287-A2289 PolarHBondContact O-N 3.06Å; A2289-V2291 VanDerWaalsContact C-N 3.3Å; A2289-V2291 PolarHBondContact O-N 3.21Å; A2289-T2292 PolarHBondContact O-N 3.12Å; A2289-I2293 WeakPolarHBondContact O-CD1 3.31Å; A2289-I2293 VanDerWaalsContact O-CG1 3.28Å; A2289-I2293 WeakPolarHBondContact O-CG1 3.31Å; A2289-I2293 PolarHBondContact O-N 3.29Å; A2289-G2377 WeakPolarHBondContact CB-O 3.08Å; A2289-L2378 HydrophobicContact CB-CD2 4.27Å; A2289-C2381 WeakPolarHBondContact CA-SG 3.31Å; A2289-C2381 HydrophobicContact CB-CB 4.28Å; A2289-C2381 VanDerWaalsContact CB-SG 3.57Å; A2289-C2381 PolarHBondContact N-SG 3.26Å |
| 2290 | S | 83 | Confident | 77.7 | Confident | 33 Ų | 33 | 48 Ų | 48 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.2 | -39.1 | 177.2 | 71.1 | 0 | 0 | 0 | 0 | 111.7 | T2238 I2286 S2287 L2288 T2294 | T2238-S2290 WeakPolarHBondContact CG2-O 3.33Å; T2238-S2290 WeakPolarHBondContact OG1-CB 3.36Å; T2238-S2290 PolarHBondContact OG1-OG 3.2Å; I2286-S2290 WeakPolarHBondContact O-CB 3.44Å; I2286-S2290 PolarHBondContact O-N 2.95Å; I2286-S2290 PolarHBondContact O-OG 3.21Å; S2287-S2290 PolarHBondContact O-N 3.29Å; S2287-S2290 PolarHBondContact O-OG 3.16Å; S2287-S2290 VanDerWaalsContact O-OG 3.1Å; L2288-S2290 PolarHBondContact O-N 3.39Å; S2290-T2294 WeakPolarHBondContact O-CB 3.39Å; S2290-T2294 PolarHBondContact O-N 3.18Å; S2290-T2294 PolarHBondContact O-OG1 3.26Å |
| 2291 | V | 84.4 | Confident | 76.9 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.1 | -47 | 174.6 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | T2238 C2241 L2242 I2245 W2266 S2287 L2288 A2289 I2293 T2294 L2295 L2303 | T2238-V2291 HydrophobicContact CG2-CG2 4.09Å; C2241-V2291 HydrophobicContact CB-CB 4.49Å; C2241-V2291 HydrophobicContact CB-CG1 4.23Å; C2241-V2291 HydrophobicContact CB-CG2 3.44Å; C2241-V2291 VanDerWaalsContact CB-CG2 3.44Å; L2242-V2291 HydrophobicContact CD2-CG1 4.28Å; I2245-V2291 HydrophobicContact CD1-CG1 3.57Å; W2266-V2291 HydrophobicContact CH2-CG1 4.3Å; W2266-V2291 HydrophobicContact CH2-CG2 4.49Å; W2266-V2291 HydrophobicContact CZ2-CB 4.47Å; W2266-V2291 HydrophobicContact CZ2-CG2 4.14Å; S2287-V2291 WeakPolarHBondContact O-CG2 3.41Å; S2287-V2291 PolarHBondContact O-N 3.34Å; S2287-V2291 VanDerWaalsContact O-N 3.12Å; L2288-V2291 WeakPolarHBondContact O-CB 3.47Å; L2288-V2291 PolarHBondContact O-N 3.24Å; L2288-V2291 VanDerWaalsContact O-N 3.14Å; A2289-V2291 VanDerWaalsContact C-N 3.3Å; A2289-V2291 PolarHBondContact O-N 3.21Å; V2291-I2293 PolarHBondContact O-N 3.11Å; V2291-T2294 CarbonylContact O-C 3.4Å; V2291-T2294 PolarHBondContact O-N 3.2Å; V2291-T2294 VanDerWaalsContact O-N 3.13Å; V2291-L2295 HydrophobicContact CG1-CD1 3.86Å; V2291-L2295 HydrophobicContact CG1-CG 4.31Å; V2291-L2295 WeakPolarHBondContact O-CD1 3.21Å; V2291-L2295 VanDerWaalsContact O-CG 3.29Å; V2291-L2295 WeakPolarHBondContact O-CG 3.33Å; V2291-L2295 PolarHBondContact O-N 3.23Å; V2291-L2295 VanDerWaalsContact O-N 3.07Å; V2291-L2303 HydrophobicContact CG1-CD1 4.38Å |
| 2292 | T | 82.3 | Confident | 76 | Confident | 6.6 Ų | 6.6 | 51.5 Ų | 51.5 | 4% | 0.04 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.3 | -42.9 | -178.6 | -50.2 | 0 | 0 | 0 | 0 | 112.9 | L2288 A2289 T2294 L2295 F2300 A2380 | L2288-T2292 VanDerWaalsContact O-CB 3.3Å; L2288-T2292 WeakPolarHBondContact O-CB 3.25Å; L2288-T2292 PolarHBondContact O-N 3.37Å; L2288-T2292 PolarHBondContact O-OG1 3.14Å; A2289-T2292 PolarHBondContact O-N 3.12Å; T2292-T2294 VanDerWaalsContact C-N 3.29Å; T2292-T2294 PolarHBondContact O-N 3.11Å; T2292-L2295 PolarHBondContact O-N 3.15Å; T2292-F2300 HydrophobicContact CG2-CD2 3.99Å; T2292-F2300 HydrophobicContact CG2-CE2 3.59Å; T2292-A2380 HydrophobicContact CG2-CB 3.61Å |
| 2293 | I | 78.8 | Confident | 75.2 | Confident | 69.2 Ų | 69.2 | 50.4 Ų | 50.4 | 36% | 0.355 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 176.5 | -64.5 | 161.6 | 0 | 0 | 0 | 111.5 | A2289 V2291 L2295 S2373 G2377 | A2289-I2293 WeakPolarHBondContact O-CD1 3.31Å; A2289-I2293 VanDerWaalsContact O-CG1 3.28Å; A2289-I2293 WeakPolarHBondContact O-CG1 3.31Å; A2289-I2293 PolarHBondContact O-N 3.29Å; V2291-I2293 PolarHBondContact O-N 3.11Å; I2293-L2295 VanDerWaalsContact C-N 3.33Å; I2293-S2373 WeakPolarHBondContact CD1-O 3.38Å; I2293-G2377 VanDerWaalsContact CD1-CA 3.41Å |
| 2294 | T | 79.2 | Confident | 74.6 | Confident | 79.6 Ų | 79.6 | 46.9 Ų | 46.9 | 49% | 0.488 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -84.3 | -12.9 | -173.9 | -42.8 | 0 | 0 | 0 | 0 | 112.2 | L2242 S2290 V2291 T2292 R2296 | L2242-T2294 HydrophobicContact CD1-CG2 3.42Å; L2242-T2294 VanDerWaalsContact CD1-CG2 3.43Å; S2290-T2294 WeakPolarHBondContact O-CB 3.39Å; S2290-T2294 PolarHBondContact O-N 3.18Å; S2290-T2294 PolarHBondContact O-OG1 3.26Å; V2291-T2294 CarbonylContact O-C 3.4Å; V2291-T2294 PolarHBondContact O-N 3.2Å; V2291-T2294 VanDerWaalsContact O-N 3.13Å; T2292-T2294 VanDerWaalsContact C-N 3.29Å; T2292-T2294 PolarHBondContact O-N 3.11Å; T2294-R2296 PolarHBondContact O-N 3.15Å |
| 2295 | L | 74.6 | Confident | 73.7 | Confident | 16.6 Ų | 16.6 | 47.8 Ų | 47.8 | 9% | 0.087 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -72.7 | 125 | 174.1 | -77.1 | 161.6 | 0 | 0 | 0 | 110.2 | L2242 I2245 V2291 T2292 I2293 N2299 L2303 | L2242-L2295 HydrophobicContact CD2-CD2 3.76Å; L2242-L2295 HydrophobicContact CD2-CG 3.79Å; I2245-L2295 HydrophobicContact CD1-CD1 4.09Å; I2245-L2295 HydrophobicContact CD1-CD2 4.06Å; I2245-L2295 HydrophobicContact CD1-CG 4.49Å; I2245-L2295 HydrophobicContact CG2-CD2 4.1Å; V2291-L2295 HydrophobicContact CG1-CD1 3.86Å; V2291-L2295 HydrophobicContact CG1-CG 4.31Å; V2291-L2295 WeakPolarHBondContact O-CD1 3.21Å; V2291-L2295 VanDerWaalsContact O-CG 3.29Å; V2291-L2295 WeakPolarHBondContact O-CG 3.33Å; V2291-L2295 PolarHBondContact O-N 3.23Å; V2291-L2295 VanDerWaalsContact O-N 3.07Å; T2292-L2295 PolarHBondContact O-N 3.15Å; I2293-L2295 VanDerWaalsContact C-N 3.33Å; L2295-N2299 HydrophobicContact CB-CB 4.35Å; L2295-N2299 HydrophobicContact CD2-CB 3.44Å; L2295-N2299 VanDerWaalsContact CD2-CB 3.45Å; L2295-N2299 HydrophobicContact CG-CB 4.44Å; L2295-L2303 HydrophobicContact CD1-CB 4.33Å; L2295-L2303 HydrophobicContact CD1-CD1 3.87Å; L2295-L2303 HydrophobicContact CD1-CD2 3.81Å; L2295-L2303 HydrophobicContact CD1-CG 4.46Å |
| 2296 | R | 65.9 | Low | 72.7 | Confident | 190.2 Ų | 190.2 | 48.2 Ų | 48.2 | 72% | 0.718 | 26% | 0.257 | S | S | * | . | trans | -62.2 | 154 | 166.4 | -68 | -175.1 | -175.9 | 174.5 | -1 | 110 | T2294 N2298 N2299 F2300 | T2294-R2296 PolarHBondContact O-N 3.15Å; R2296-N2298 VanDerWaalsContact C-N 3.31Å; R2296-N2298 PolarHBondContact O-N 3.11Å; R2296-N2298 VanDerWaalsContact O-N 3.15Å; R2296-N2299 WeakPolarHBondContact O-CA 3.3Å; R2296-N2299 WeakPolarHBondContact O-CB 3.36Å; R2296-N2299 PolarHBondContact O-N 3.29Å; R2296-F2300 PolarHBondContact O-N 3.26Å; R2296-F2300 VanDerWaalsContact O-N 3.16Å | ||
| 2297 | P | 61.8 | Low | 72 | Confident | 102 Ų | 102 | 44.9 Ų | 44.9 | 66% | 0.662 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -48.6 | -46.1 | -177.1 | -28.7 | 34.4 | 0 | 0 | 0 | 114.1 | N2299 F2300 D2301 | P2297-N2299 PolarHBondContact O-N 3.12Å; P2297-N2299 VanDerWaalsContact O-N 3.12Å; P2297-F2300 WeakPolarHBondContact O-CA 3.44Å; P2297-F2300 WeakPolarHBondContact O-CB 3.26Å; P2297-F2300 PolarHBondContact O-N 3.11Å; P2297-D2301 PolarHBondContact O-N 3.04Å |
| 2298 | N | 56.4 | Low | 70.9 | Confident | 127.2 Ų | 127.2 | 45.1 Ų | 45.1 | 68% | 0.68 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -62.1 | -26.3 | 179.6 | -57.1 | 18.6 | 0 | 0 | 0 | 113.7 | R2296 | R2296-N2298 VanDerWaalsContact C-N 3.31Å; R2296-N2298 PolarHBondContact O-N 3.11Å; R2296-N2298 VanDerWaalsContact O-N 3.15Å |
| 2299 | N | 58.4 | Low | 69.6 | Low | 35.6 Ų | 35.6 | 50.9 Ų | 50.9 | 19% | 0.19 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -88.6 | -16.1 | 177.3 | -58.6 | -24 | 0 | 0 | 0 | 112.2 | L2295 R2296 P2297 D2301 L2302 L2303 | L2295-N2299 HydrophobicContact CB-CB 4.35Å; L2295-N2299 HydrophobicContact CD2-CB 3.44Å; L2295-N2299 VanDerWaalsContact CD2-CB 3.45Å; L2295-N2299 HydrophobicContact CG-CB 4.44Å; R2296-N2299 WeakPolarHBondContact O-CA 3.3Å; R2296-N2299 WeakPolarHBondContact O-CB 3.36Å; R2296-N2299 PolarHBondContact O-N 3.29Å; P2297-N2299 PolarHBondContact O-N 3.12Å; P2297-N2299 VanDerWaalsContact O-N 3.12Å; N2299-D2301 VanDerWaalsContact C-N 3.28Å; N2299-D2301 PolarHBondContact O-N 2.86Å; N2299-L2302 WeakPolarHBondContact O-CB 3.31Å; N2299-L2302 PolarHBondContact O-N 3.04Å; N2299-L2302 VanDerWaalsContact O-N 3.16Å; N2299-L2303 PolarHBondContact O-N 3.17Å; N2299-L2303 VanDerWaalsContact O-N 3.16Å |
| 2300 | F | 68 | Low | 68 | Low | 25 Ų | 25 | 53.1 Ų | 53.1 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 169.2 | -167.3 | -89.4 | 0 | 0 | 0 | 109.5 | T2292 R2296 P2297 L2302 L2303 N2304 H2383 L2384 | T2292-F2300 HydrophobicContact CG2-CD2 3.99Å; T2292-F2300 HydrophobicContact CG2-CE2 3.59Å; R2296-F2300 PolarHBondContact O-N 3.26Å; R2296-F2300 VanDerWaalsContact O-N 3.16Å; P2297-F2300 WeakPolarHBondContact O-CA 3.44Å; P2297-F2300 WeakPolarHBondContact O-CB 3.26Å; P2297-F2300 PolarHBondContact O-N 3.11Å; F2300-L2302 VanDerWaalsContact C-N 3.31Å; F2300-L2302 PolarHBondContact O-N 3.23Å; F2300-L2303 PolarHBondContact O-N 3.08Å; F2300-N2304 VanDerWaalsContact CD1-ND2 3.31Å; F2300-N2304 WeakPolarHBondContact CD1-ND2 3.33Å; F2300-N2304 WeakPolarHBondContact CE1-ND2 3.37Å; F2300-N2304 VanDerWaalsContact O-CB 3.28Å; F2300-N2304 WeakPolarHBondContact O-CB 3.39Å; F2300-N2304 PolarHBondContact O-N 3.15Å; F2300-H2383 AromaticContact CE1-CE1 3.77Å; F2300-H2383 AromaticContact CE1-ND1 3.73Å; F2300-H2383 AromaticContact CE2-ND1 3.83Å; F2300-H2383 HydrophobicContact CZ-CB 4.43Å; F2300-H2383 AromaticContact CZ-CE1 3.85Å; F2300-H2383 AromaticContact CZ-CG 3.95Å; F2300-H2383 AromaticContact CZ-ND1 3.45Å; F2300-H2383 WeakPolarHBondContact CZ-ND1 3.27Å; F2300-L2384 HydrophobicContact CD1-CD1 4.49Å; F2300-L2384 HydrophobicContact CD2-CD1 4.23Å; F2300-L2384 HydrophobicContact CE1-CD1 4.1Å; F2300-L2384 HydrophobicContact CE2-CB 4.02Å; F2300-L2384 HydrophobicContact CE2-CD1 3.94Å; F2300-L2384 HydrophobicContact CE2-CG 4.47Å; F2300-L2384 HydrophobicContact CZ-CB 3.74Å; F2300-L2384 HydrophobicContact CZ-CD1 3.78Å; F2300-L2384 HydrophobicContact CZ-CG 4.4Å |
| 2301 | D | 65.3 | Low | 66.3 | Low | 79.2 Ų | 79.2 | 53.6 Ų | 53.6 | 42% | 0.424 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62 | -35.1 | 173.2 | -68.9 | -20.7 | 0 | 0 | 0 | 112.6 | P2297 N2299 L2303 N2304 T2305 | P2297-D2301 PolarHBondContact O-N 3.04Å; N2299-D2301 VanDerWaalsContact C-N 3.28Å; N2299-D2301 PolarHBondContact O-N 2.86Å; D2301-L2303 VanDerWaalsContact C-N 3.32Å; D2301-L2303 PolarHBondContact O-N 2.95Å; D2301-N2304 CarbonylContact O-C 3.23Å; D2301-N2304 WeakPolarHBondContact O-CB 3.2Å; D2301-N2304 PolarHBondContact O-N 3.21Å; D2301-T2305 VanDerWaalsContact O-CB 3.29Å; D2301-T2305 WeakPolarHBondContact O-CB 3.35Å; D2301-T2305 PolarHBondContact O-N 3.29Å; D2301-T2305 PolarHBondContact O-OG1 3.14Å |
| 2302 | L | 66 | Low | 64.3 | Low | 34.2 Ų | 34.2 | 57.6 Ų | 57.6 | 18% | 0.179 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68 | -40.9 | 175.2 | -62.1 | -176.5 | 0 | 0 | 0 | 112.4 | H2249 N2299 F2300 N2304 T2305 F2306 | H2249-L2302 VanDerWaalsContact CE1-CD2 3.43Å; H2249-L2302 WeakPolarHBondContact CE1-CD2 3.31Å; H2249-L2302 WeakPolarHBondContact NE2-CD1 3.31Å; H2249-L2302 VanDerWaalsContact NE2-CD2 3.26Å; H2249-L2302 WeakPolarHBondContact NE2-CD2 3.36Å; N2299-L2302 WeakPolarHBondContact O-CB 3.31Å; N2299-L2302 PolarHBondContact O-N 3.04Å; N2299-L2302 VanDerWaalsContact O-N 3.16Å; F2300-L2302 VanDerWaalsContact C-N 3.31Å; F2300-L2302 PolarHBondContact O-N 3.23Å; L2302-N2304 VanDerWaalsContact C-N 3.32Å; L2302-T2305 WeakPolarHBondContact CA-OG1 3.39Å; L2302-T2305 PolarHBondContact O-N 3.14Å; L2302-F2306 WeakPolarHBondContact O-CB 3.33Å; L2302-F2306 PolarHBondContact O-N 3.05Å |
| 2303 | L | 68.6 | Low | 62.4 | Low | 1.4 Ų | 1.4 | 61.3 Ų | 61.3 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71 | -34.8 | 176.5 | -162.3 | 101.7 | 0 | 0 | 0 | 111 | I2245 W2266 L2288 V2291 L2295 N2299 F2300 D2301 F2306 I2307 L2384 | I2245-L2303 HydrophobicContact CD1-CD1 3.76Å; I2245-L2303 HydrophobicContact CD1-CD2 4.43Å; I2245-L2303 HydrophobicContact CG1-CD1 4.23Å; W2266-L2303 HydrophobicContact CZ3-CD1 4.39Å; L2288-L2303 HydrophobicContact CD1-CD2 4.41Å; V2291-L2303 HydrophobicContact CG1-CD1 4.38Å; L2295-L2303 HydrophobicContact CD1-CB 4.33Å; L2295-L2303 HydrophobicContact CD1-CD1 3.87Å; L2295-L2303 HydrophobicContact CD1-CD2 3.81Å; L2295-L2303 HydrophobicContact CD1-CG 4.46Å; N2299-L2303 PolarHBondContact O-N 3.17Å; N2299-L2303 VanDerWaalsContact O-N 3.16Å; F2300-L2303 PolarHBondContact O-N 3.08Å; D2301-L2303 VanDerWaalsContact C-N 3.32Å; D2301-L2303 PolarHBondContact O-N 2.95Å; L2303-F2306 HydrophobicContact CD1-CD1 3.97Å; L2303-F2306 WeakPolarHBondContact O-CB 3.33Å; L2303-F2306 PolarHBondContact O-N 3.06Å; L2303-I2307 HydrophobicContact CD2-CD1 3.91Å; L2303-I2307 HydrophobicContact CD2-CG1 4.25Å; L2303-I2307 HydrophobicContact CG-CD1 4.44Å; L2303-I2307 VanDerWaalsContact O-CG1 3.3Å; L2303-I2307 WeakPolarHBondContact O-CG1 3.32Å; L2303-I2307 PolarHBondContact O-N 3.01Å; L2303-I2307 VanDerWaalsContact O-N 3.13Å; L2303-L2384 HydrophobicContact CB-CD1 4.31Å; L2303-L2384 HydrophobicContact CD2-CD1 3.73Å; L2303-L2384 VanDerWaalsContact CD2-CD1 3.42Å; L2303-L2384 HydrophobicContact CD2-CD2 3.28Å; L2303-L2384 VanDerWaalsContact CD2-CD2 3.42Å; L2303-L2384 HydrophobicContact CD2-CG 4.04Å; L2303-L2384 HydrophobicContact CG-CD1 4.24Å; L2303-L2384 HydrophobicContact CG-CD2 3.9Å |
| 2304 | N | 67.2 | Low | 60.5 | Low | 12.4 Ų | 12.4 | 61.4 Ų | 61.4 | 7% | 0.066 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.4 | -48.2 | 169.8 | -111.2 | -6.2 | 0 | 0 | 0 | 111 | F2300 D2301 L2302 F2306 I2307 V2308 L2384 Y2387 | F2300-N2304 VanDerWaalsContact CD1-ND2 3.31Å; F2300-N2304 WeakPolarHBondContact CD1-ND2 3.33Å; F2300-N2304 WeakPolarHBondContact CE1-ND2 3.37Å; F2300-N2304 VanDerWaalsContact O-CB 3.28Å; F2300-N2304 WeakPolarHBondContact O-CB 3.39Å; F2300-N2304 PolarHBondContact O-N 3.15Å; D2301-N2304 CarbonylContact O-C 3.23Å; D2301-N2304 WeakPolarHBondContact O-CB 3.2Å; D2301-N2304 PolarHBondContact O-N 3.21Å; L2302-N2304 VanDerWaalsContact C-N 3.32Å; N2304-F2306 VanDerWaalsContact C-N 3.25Å; N2304-F2306 PolarHBondContact O-N 3.12Å; N2304-I2307 PolarHBondContact O-N 3.24Å; N2304-I2307 VanDerWaalsContact O-N 3.12Å; N2304-V2308 VanDerWaalsContact O-CB 3.24Å; N2304-V2308 WeakPolarHBondContact O-CB 3.34Å; N2304-V2308 WeakPolarHBondContact O-CG2 3.4Å; N2304-V2308 PolarHBondContact O-N 3.1Å; N2304-L2384 HydrophobicContact CB-CD1 4.3Å; N2304-L2384 WeakPolarHBondContact OD1-CD1 3.34Å; N2304-Y2387 HydrophobicContact CB-CD1 4.3Å; N2304-Y2387 HydrophobicContact CB-CE1 4.45Å; N2304-Y2387 VanDerWaalsContact CG-CD1 3.46Å; N2304-Y2387 WeakPolarHBondContact ND2-CD1 3.49Å; N2304-Y2387 WeakPolarHBondContact ND2-CD2 3.22Å; N2304-Y2387 VanDerWaalsContact ND2-CE1 3.28Å; N2304-Y2387 WeakPolarHBondContact ND2-CE1 3.32Å; N2304-Y2387 VanDerWaalsContact ND2-CG 3.28Å; N2304-Y2387 WeakPolarHBondContact OD1-CB 3.32Å; N2304-Y2387 WeakPolarHBondContact OD1-CD1 3.34Å |
| 2305 | T | 65.2 | Low | 58.7 | Low | 64.8 Ų | 64.8 | 64.1 Ų | 64.1 | 40% | 0.398 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.7 | -39.2 | 175.9 | -46.9 | 0 | 0 | 0 | 0 | 110.1 | D2301 L2302 V2308 Q2309 | D2301-T2305 VanDerWaalsContact O-CB 3.29Å; D2301-T2305 WeakPolarHBondContact O-CB 3.35Å; D2301-T2305 PolarHBondContact O-N 3.29Å; D2301-T2305 PolarHBondContact O-OG1 3.14Å; L2302-T2305 WeakPolarHBondContact CA-OG1 3.39Å; L2302-T2305 PolarHBondContact O-N 3.14Å; T2305-V2308 CarbonylContact O-C 3.21Å; T2305-V2308 PolarHBondContact O-N 3.21Å; T2305-Q2309 HydrophobicContact CG2-CB 4.34Å; T2305-Q2309 WeakPolarHBondContact O-CA 3.39Å; T2305-Q2309 WeakPolarHBondContact O-CB 3.39Å; T2305-Q2309 PolarHBondContact O-N 3.13Å |
| 2306 | F | 66.7 | Low | 57.4 | Low | 10.2 Ų | 10.2 | 69.4 Ų | 69.4 | 5% | 0.045 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.5 | -51.4 | 173.5 | 166.4 | -108.2 | 0 | 0 | 0 | 112.5 | L2248 T2259 F2262 Q2263 L2267 L2302 L2303 N2304 V2308 D2310 | L2248-F2306 HydrophobicContact CD1-CB 4.08Å; L2248-F2306 HydrophobicContact CD1-CG 4.47Å; L2248-F2306 HydrophobicContact CD2-CD2 4.17Å; L2248-F2306 HydrophobicContact CD2-CG 4.5Å; T2259-F2306 VanDerWaalsContact CA-CE2 3.49Å; T2259-F2306 HydrophobicContact CG2-CE2 3.69Å; T2259-F2306 HydrophobicContact CG2-CZ 4.32Å; T2259-F2306 WeakPolarHBondContact OG1-CE2 3.33Å; F2262-F2306 HydrophobicContact CB-CE1 3.81Å; F2262-F2306 HydrophobicContact CB-CZ 3.7Å; F2262-F2306 HydrophobicContact CD2-CE1 4.29Å; F2262-F2306 HydrophobicContact CD2-CZ 4.34Å; F2262-F2306 HydrophobicContact CG-CE1 4.45Å; F2262-F2306 HydrophobicContact CG-CZ 4.48Å; Q2263-F2306 HydrophobicContact CG-CZ 4.47Å; L2267-F2306 HydrophobicContact CD1-CE1 4.39Å; L2302-F2306 WeakPolarHBondContact O-CB 3.33Å; L2302-F2306 PolarHBondContact O-N 3.05Å; L2303-F2306 HydrophobicContact CD1-CD1 3.97Å; L2303-F2306 WeakPolarHBondContact O-CB 3.33Å; L2303-F2306 PolarHBondContact O-N 3.06Å; N2304-F2306 VanDerWaalsContact C-N 3.25Å; N2304-F2306 PolarHBondContact O-N 3.12Å; F2306-V2308 VanDerWaalsContact C-N 3.27Å; F2306-V2308 PolarHBondContact O-N 3.04Å; F2306-D2310 WeakPolarHBondContact CE2-OD2 3.4Å; F2306-D2310 PolarHBondContact O-N 3.26Å |
| 2307 | I | 67 | Low | 56.7 | Low | 12.4 Ų | 12.4 | 65.5 Ų | 65.5 | 6% | 0.064 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68 | -26.6 | -179.7 | -55.3 | 166.4 | 0 | 0 | 0 | 111.1 | L2303 N2304 L2311 F2323 L2384 S2388 | L2303-I2307 HydrophobicContact CD2-CD1 3.91Å; L2303-I2307 HydrophobicContact CD2-CG1 4.25Å; L2303-I2307 HydrophobicContact CG-CD1 4.44Å; L2303-I2307 VanDerWaalsContact O-CG1 3.3Å; L2303-I2307 WeakPolarHBondContact O-CG1 3.32Å; L2303-I2307 PolarHBondContact O-N 3.01Å; L2303-I2307 VanDerWaalsContact O-N 3.13Å; N2304-I2307 PolarHBondContact O-N 3.24Å; N2304-I2307 VanDerWaalsContact O-N 3.12Å; I2307-L2311 VanDerWaalsContact O-CD1 3.25Å; I2307-L2311 WeakPolarHBondContact O-CD1 3.37Å; I2307-L2311 WeakPolarHBondContact O-CG 3.41Å; I2307-F2323 HydrophobicContact CG2-CE2 4.37Å; I2307-F2323 HydrophobicContact CG2-CZ 3.83Å; I2307-L2384 HydrophobicContact CD1-CD1 4.12Å; I2307-L2384 HydrophobicContact CD1-CD2 3.91Å; I2307-L2384 HydrophobicContact CD1-CG 3.73Å; I2307-S2388 WeakPolarHBondContact CB-OG 3.38Å; I2307-S2388 VanDerWaalsContact CG2-CB 3.47Å; I2307-S2388 WeakPolarHBondContact CG2-OG 3.39Å |
| 2308 | V | 59.7 | Low | 56.5 | Low | 31.2 Ų | 31.2 | 65.4 Ų | 65.4 | 19% | 0.189 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -89.3 | -36.6 | -179.2 | 174.5 | 0 | 0 | 0 | 0 | 113.8 | N2304 T2305 F2306 D2310 L2311 Y2387 | N2304-V2308 VanDerWaalsContact O-CB 3.24Å; N2304-V2308 WeakPolarHBondContact O-CB 3.34Å; N2304-V2308 WeakPolarHBondContact O-CG2 3.4Å; N2304-V2308 PolarHBondContact O-N 3.1Å; T2305-V2308 CarbonylContact O-C 3.21Å; T2305-V2308 PolarHBondContact O-N 3.21Å; F2306-V2308 VanDerWaalsContact C-N 3.27Å; F2306-V2308 PolarHBondContact O-N 3.04Å; V2308-D2310 VanDerWaalsContact C-N 3.33Å; V2308-D2310 PolarHBondContact O-N 3.49Å; V2308-L2311 HydrophobicContact CB-CD1 4.45Å; V2308-L2311 HydrophobicContact CG2-CD1 4.44Å; V2308-L2311 WeakPolarHBondContact O-CA 3.42Å; V2308-L2311 VanDerWaalsContact O-CB 3.23Å; V2308-L2311 WeakPolarHBondContact O-CB 3.31Å; V2308-L2311 WeakPolarHBondContact O-CG 3.24Å; V2308-L2311 PolarHBondContact O-N 3.2Å; V2308-L2311 VanDerWaalsContact O-N 3.11Å; V2308-Y2387 HydrophobicContact CG2-CD1 3.96Å; V2308-Y2387 HydrophobicContact CG2-CE1 4.13Å |
| 2309 | Q | 57.5 | Low | 56.7 | Low | 130.8 Ų | 130.8 | 62.4 Ų | 62.4 | 61% | 0.611 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -73.5 | -31.6 | -173.1 | -168.5 | 172.3 | 13.3 | 0 | 0 | 111.5 | T2305 L2311 S2312 | T2305-Q2309 HydrophobicContact CG2-CB 4.34Å; T2305-Q2309 WeakPolarHBondContact O-CA 3.39Å; T2305-Q2309 WeakPolarHBondContact O-CB 3.39Å; T2305-Q2309 PolarHBondContact O-N 3.13Å; Q2309-L2311 PolarHBondContact O-N 3.33Å; Q2309-S2312 PolarHBondContact O-N 2.95Å |
| 2310 | D | 52.2 | Low | 57 | Low | 54.4 Ų | 54.4 | 64.5 Ų | 64.5 | 29% | 0.291 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -17.3 | 167.9 | -82.2 | -9.4 | 0 | 0 | 0 | 112.6 | T2259 Q2263 F2306 V2308 | T2259-D2310 VanDerWaalsContact CG2-OD1 3.27Å; T2259-D2310 WeakPolarHBondContact CG2-OD1 3.36Å; T2259-D2310 VanDerWaalsContact CG2-OD2 3.29Å; T2259-D2310 WeakPolarHBondContact CG2-OD2 3.32Å; Q2263-D2310 PolarHBondContact NE2-OD2 3.24Å; F2306-D2310 WeakPolarHBondContact CE2-OD2 3.4Å; F2306-D2310 PolarHBondContact O-N 3.26Å; V2308-D2310 VanDerWaalsContact C-N 3.33Å; V2308-D2310 PolarHBondContact O-N 3.49Å |
| 2311 | L | 47.1 | Very low | 57.2 | Low | 41.8 Ų | 41.8 | 67.2 Ų | 67.2 | 22% | 0.219 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -13.5 | 179.1 | -57.3 | 168 | 0 | 0 | 0 | 114 | I2307 V2308 Q2309 W2320 F2323 | I2307-L2311 VanDerWaalsContact O-CD1 3.25Å; I2307-L2311 WeakPolarHBondContact O-CD1 3.37Å; I2307-L2311 WeakPolarHBondContact O-CG 3.41Å; V2308-L2311 HydrophobicContact CB-CD1 4.45Å; V2308-L2311 HydrophobicContact CG2-CD1 4.44Å; V2308-L2311 WeakPolarHBondContact O-CA 3.42Å; V2308-L2311 VanDerWaalsContact O-CB 3.23Å; V2308-L2311 WeakPolarHBondContact O-CB 3.31Å; V2308-L2311 WeakPolarHBondContact O-CG 3.24Å; V2308-L2311 PolarHBondContact O-N 3.2Å; V2308-L2311 VanDerWaalsContact O-N 3.11Å; Q2309-L2311 PolarHBondContact O-N 3.33Å; L2311-W2320 HydrophobicContact CB-CH2 4.48Å; L2311-W2320 HydrophobicContact CD2-CE3 4.42Å; L2311-W2320 HydrophobicContact CD2-CZ3 4.23Å; L2311-W2320 VanDerWaalsContact O-CH2 3.25Å; L2311-W2320 WeakPolarHBondContact O-CH2 3.39Å; L2311-W2320 WeakPolarHBondContact O-CZ2 3.49Å; L2311-F2323 HydrophobicContact CD1-CE1 3.88Å; L2311-F2323 HydrophobicContact CD1-CZ 3.94Å; L2311-F2323 HydrophobicContact CD2-CD1 4.3Å; L2311-F2323 HydrophobicContact CD2-CE1 4.27Å; L2311-F2323 HydrophobicContact CD2-CG 4.49Å; L2311-F2323 HydrophobicContact CD2-CZ 4.49Å |
| 2312 | S | 41.7 | Very low | 58 | Low | 85.4 Ų | 85.4 | 68.5 Ų | 68.5 | 60% | 0.597 | 40% | 0.402 | S | S | * | . | trans | -98.2 | -6.7 | -170.9 | -61.6 | 0 | 0 | 0 | 0 | 115 | Q2309 G2314 | Q2309-S2312 PolarHBondContact O-N 2.95Å; S2312-G2314 VanDerWaalsContact C-N 3.34Å; S2312-G2314 PolarHBondContact O-N 3.3Å; S2312-G2314 VanDerWaalsContact O-N 3.08Å | ||
| 2313 | S | 42.9 | Very low | 58.6 | Low | 82.8 Ų | 82.8 | 68.2 Ų | 68.2 | 58% | 0.579 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -78.4 | 90.5 | 168.4 | 59.8 | 0 | 0 | 0 | 0 | 108.7 | E2315 W2320 | S2313-E2315 PolarHBondContact O-N 3.1Å; S2313-W2320 WeakPolarHBondContact O-CZ2 3.38Å |
| 2314 | G | 39.2 | Very low | 59.2 | Low | 72.8 Ų | 72.8 | 70.7 Ų | 70.7 | 75% | 0.751 | 41% | 0.412 | S | S | * | . | trans | -66.5 | 42.1 | -167.8 | 0 | 0 | 0 | 0 | 0 | 118 | S2312 | S2312-G2314 VanDerWaalsContact C-N 3.34Å; S2312-G2314 PolarHBondContact O-N 3.3Å; S2312-G2314 VanDerWaalsContact O-N 3.08Å | ||
| 2315 | E | 40.9 | Very low | 60.1 | Low | 135.6 Ų | 135.6 | 72.1 Ų | 72.1 | 63% | 0.634 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -104.8 | 127.3 | 165.1 | -71.1 | -168.5 | 174 | 0 | 0 | 110.4 | S2313 H2317 W2320 | S2313-E2315 PolarHBondContact O-N 3.1Å; E2315-H2317 VanDerWaalsContact C-N 3.28Å; E2315-H2317 PolarHBondContact O-N 3.09Å; E2315-H2317 IonicContact OE2-NE2 3.26Å; E2315-W2320 PolarHBondContact O-NE1 3.16Å; E2315-W2320 VanDerWaalsContact O-NE1 3.1Å |
| 2316 | P | 48.2 | Very low | 61.1 | Low | 127.2 Ų | 127.2 | 69.1 Ų | 69.1 | 83% | 0.826 | 41% | 0.407 | S | S | * | . | trans | -72.1 | 80.9 | -179.6 | 30.2 | -34.2 | 0 | 0 | 0 | 110.5 | ||||
| 2317 | H | 50.4 | Low | 62.1 | Low | 109 Ų | 109 | 68.6 Ų | 68.6 | 51% | 0.505 | 41% | 0.405 | S | S | . | . | trans | -79.3 | 146.3 | 175.3 | -100.2 | -65.7 | 0 | 0 | 0 | 110.9 | E2315 S2319 W2320 | E2315-H2317 VanDerWaalsContact C-N 3.28Å; E2315-H2317 PolarHBondContact O-N 3.09Å; E2315-H2317 IonicContact OE2-NE2 3.26Å; H2317-S2319 WeakPolarHBondContact CB-OG 3.23Å; H2317-S2319 PolarHBondContact O-N 3.26Å; H2317-W2320 WeakPolarHBondContact O-CB 3.36Å; H2317-W2320 PolarHBondContact O-N 3.14Å; H2317-W2320 VanDerWaalsContact O-N 3.12Å | ||
| 2318 | P | 57.6 | Low | 63.2 | Low | 99.4 Ų | 99.4 | 74.9 Ų | 74.9 | 65% | 0.645 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -19.6 | 176.9 | 9.3 | -17.7 | 0 | 0 | 0 | 114.4 | W2320 S2321 | P2318-W2320 PolarHBondContact O-N 3.15Å; P2318-S2321 PolarHBondContact O-N 3.07Å; P2318-S2321 PolarHBondContact O-OG 3.09Å |
| 2319 | S | 61.7 | Low | 64.7 | Low | 64.8 Ų | 64.8 | 75.2 Ų | 75.2 | 45% | 0.453 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58.5 | -27.5 | 173.5 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | H2317 S2321 Q2322 F2323 | H2317-S2319 WeakPolarHBondContact CB-OG 3.23Å; H2317-S2319 PolarHBondContact O-N 3.26Å; S2319-S2321 VanDerWaalsContact C-N 3.31Å; S2319-S2321 PolarHBondContact O-N 3.21Å; S2319-Q2322 WeakPolarHBondContact O-CB 3.41Å; S2319-Q2322 PolarHBondContact O-N 3.25Å; S2319-F2323 PolarHBondContact O-N 3.22Å; S2319-F2323 VanDerWaalsContact O-N 3.08Å |
| 2320 | W | 63.3 | Low | 66.2 | Low | 80.6 Ų | 80.6 | 69.3 Ų | 69.3 | 31% | 0.305 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | -177 | -69.8 | 57.7 | 0 | 0 | 0 | 112.1 | L2311 S2313 E2315 H2317 P2318 Q2322 F2323 D2324 | L2311-W2320 HydrophobicContact CB-CH2 4.48Å; L2311-W2320 HydrophobicContact CD2-CE3 4.42Å; L2311-W2320 HydrophobicContact CD2-CZ3 4.23Å; L2311-W2320 VanDerWaalsContact O-CH2 3.25Å; L2311-W2320 WeakPolarHBondContact O-CH2 3.39Å; L2311-W2320 WeakPolarHBondContact O-CZ2 3.49Å; S2313-W2320 WeakPolarHBondContact O-CZ2 3.38Å; E2315-W2320 PolarHBondContact O-NE1 3.16Å; E2315-W2320 VanDerWaalsContact O-NE1 3.1Å; H2317-W2320 WeakPolarHBondContact O-CB 3.36Å; H2317-W2320 PolarHBondContact O-N 3.14Å; H2317-W2320 VanDerWaalsContact O-N 3.12Å; P2318-W2320 PolarHBondContact O-N 3.15Å; W2320-Q2322 VanDerWaalsContact C-N 3.26Å; W2320-Q2322 PolarHBondContact O-N 3.11Å; W2320-F2323 PolarHBondContact O-N 3.08Å; W2320-D2324 PolarHBondContact O-N 2.98Å |
| 2321 | S | 73.6 | Confident | 68.1 | Low | 81.4 Ų | 81.4 | 66.8 Ų | 66.8 | 57% | 0.569 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.2 | -34.4 | 176.6 | 69.6 | 0 | 0 | 0 | 0 | 112.4 | P2318 S2319 A2325 | P2318-S2321 PolarHBondContact O-N 3.07Å; P2318-S2321 PolarHBondContact O-OG 3.09Å; S2319-S2321 VanDerWaalsContact C-N 3.31Å; S2319-S2321 PolarHBondContact O-N 3.21Å; S2321-A2325 WeakPolarHBondContact O-CB 3.26Å; S2321-A2325 PolarHBondContact O-N 3.15Å; S2321-A2325 VanDerWaalsContact O-N 3.09Å |
| 2322 | Q | 80.7 | Confident | 70.2 | Confident | 106.8 Ų | 106.8 | 66.1 Ų | 66.1 | 50% | 0.499 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -73.5 | -41.9 | 179.1 | -62.4 | -174.3 | 8.6 | 0 | 0 | 111.2 | P2269 S2319 W2320 A2325 A2326 | P2269-Q2322 WeakPolarHBondContact CD-O 3.39Å; P2269-Q2322 HydrophobicContact CG-CB 3.85Å; P2269-Q2322 HydrophobicContact CG-CG 4.34Å; S2319-Q2322 WeakPolarHBondContact O-CB 3.41Å; S2319-Q2322 PolarHBondContact O-N 3.25Å; W2320-Q2322 VanDerWaalsContact C-N 3.26Å; W2320-Q2322 PolarHBondContact O-N 3.11Å; Q2322-A2325 PolarHBondContact O-N 3.18Å; Q2322-A2326 WeakPolarHBondContact O-CB 3.43Å; Q2322-A2326 PolarHBondContact O-N 3Å |
| 2323 | F | 78.3 | Confident | 72.6 | Confident | 26.6 Ų | 26.6 | 64.4 Ų | 64.4 | 12% | 0.117 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60 | -48.1 | 174.5 | 177.3 | -89.6 | 0 | 0 | 0 | 111.4 | L2267 I2307 L2311 S2319 W2320 A2325 A2326 C2327 K2389 | L2267-F2323 HydrophobicContact CB-CD2 4.07Å; L2267-F2323 HydrophobicContact CB-CE2 4.27Å; L2267-F2323 HydrophobicContact CD1-CD2 4.1Å; L2267-F2323 HydrophobicContact CD1-CE2 3.63Å; L2267-F2323 HydrophobicContact CD2-CD2 4.25Å; L2267-F2323 HydrophobicContact CD2-CE2 3.78Å; L2267-F2323 HydrophobicContact CD2-CZ 4.43Å; L2267-F2323 HydrophobicContact CG-CD2 4.35Å; L2267-F2323 HydrophobicContact CG-CE2 4.09Å; I2307-F2323 HydrophobicContact CG2-CE2 4.37Å; I2307-F2323 HydrophobicContact CG2-CZ 3.83Å; L2311-F2323 HydrophobicContact CD1-CE1 3.88Å; L2311-F2323 HydrophobicContact CD1-CZ 3.94Å; L2311-F2323 HydrophobicContact CD2-CD1 4.3Å; L2311-F2323 HydrophobicContact CD2-CE1 4.27Å; L2311-F2323 HydrophobicContact CD2-CG 4.49Å; L2311-F2323 HydrophobicContact CD2-CZ 4.49Å; S2319-F2323 PolarHBondContact O-N 3.22Å; S2319-F2323 VanDerWaalsContact O-N 3.08Å; W2320-F2323 PolarHBondContact O-N 3.08Å; F2323-A2325 VanDerWaalsContact C-N 3.32Å; F2323-A2325 PolarHBondContact O-N 3.11Å; F2323-A2326 CarbonylContact O-C 3.58Å; F2323-A2326 WeakPolarHBondContact O-CA 3.37Å; F2323-A2326 WeakPolarHBondContact O-CB 3.41Å; F2323-A2326 PolarHBondContact O-N 3Å; F2323-A2326 VanDerWaalsContact O-N 3.16Å; F2323-C2327 VanDerWaalsContact CE1-SG 3.53Å; F2323-C2327 WeakPolarHBondContact CE1-SG 3.38Å; F2323-C2327 VanDerWaalsContact CZ-SG 3.55Å; F2323-C2327 PolarHBondContact O-N 2.89Å; F2323-C2327 PolarHBondContact O-SG 3.25Å; F2323-C2327 VanDerWaalsContact O-SG 3.38Å; F2323-K2389 HydrophobicContact CE1-CD 4.49Å; F2323-K2389 HydrophobicContact CE1-CG 4.14Å |
| 2324 | D | 81.4 | Confident | 74.9 | Confident | 55.2 Ų | 55.2 | 60.4 Ų | 60.4 | 30% | 0.295 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 178.6 | -80.6 | -11.2 | 0 | 0 | 0 | 112.2 | W2320 A2326 C2327 K2328 K2389 | W2320-D2324 PolarHBondContact O-N 2.98Å; D2324-A2326 VanDerWaalsContact C-N 3.33Å; D2324-A2326 PolarHBondContact O-N 3.13Å; D2324-C2327 PolarHBondContact O-N 3.2Å; D2324-K2328 VanDerWaalsContact O-CB 3.3Å; D2324-K2328 WeakPolarHBondContact O-CB 3.38Å; D2324-K2328 PolarHBondContact O-N 3.13Å; D2324-K2389 VanDerWaalsContact CG-NZ 3.31Å; D2324-K2389 WeakPolarHBondContact OD1-CD 3.36Å; D2324-K2389 WeakPolarHBondContact OD1-CE 3.37Å; D2324-K2389 IonicContact OD1-NZ 3.28Å; D2324-K2389 PolarHBondContact OD1-NZ 3.21Å; D2324-K2389 IonicContact OD2-NZ 3.25Å; D2324-K2389 PolarHBondContact OD2-NZ 3.05Å; D2324-K2389 VanDerWaalsContact OD2-NZ 3.12Å |
| 2325 | A | 86.2 | Confident | 77.3 | Confident | 40 Ų | 40 | 57.2 Ų | 57.2 | 33% | 0.331 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P2269 S2321 Q2322 F2323 K2328 Q2329 | P2269-A2325 HydrophobicContact CB-CB 3.98Å; P2269-A2325 HydrophobicContact CG-CB 4.46Å; S2321-A2325 WeakPolarHBondContact O-CB 3.26Å; S2321-A2325 PolarHBondContact O-N 3.15Å; S2321-A2325 VanDerWaalsContact O-N 3.09Å; Q2322-A2325 PolarHBondContact O-N 3.18Å; F2323-A2325 VanDerWaalsContact C-N 3.32Å; F2323-A2325 PolarHBondContact O-N 3.11Å; A2325-K2328 PolarHBondContact O-N 2.85Å; A2325-Q2329 VanDerWaalsContact O-CG 3.28Å; A2325-Q2329 WeakPolarHBondContact O-CG 3.44Å; A2325-Q2329 PolarHBondContact O-N 3.21Å; A2325-Q2329 VanDerWaalsContact O-N 3.1Å |
| 2326 | A | 87.2 | Confident | 79.7 | Confident | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67 | -48 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L2267 P2269 Q2322 F2323 D2324 K2328 Q2329 I2330 | L2267-A2326 VanDerWaalsContact C-CB 3.41Å; L2267-A2326 WeakPolarHBondContact O-CB 3.3Å; P2269-A2326 HydrophobicContact CB-CB 4.41Å; Q2322-A2326 WeakPolarHBondContact O-CB 3.43Å; Q2322-A2326 PolarHBondContact O-N 3Å; F2323-A2326 CarbonylContact O-C 3.58Å; F2323-A2326 WeakPolarHBondContact O-CA 3.37Å; F2323-A2326 WeakPolarHBondContact O-CB 3.41Å; F2323-A2326 PolarHBondContact O-N 3Å; F2323-A2326 VanDerWaalsContact O-N 3.16Å; D2324-A2326 VanDerWaalsContact C-N 3.33Å; D2324-A2326 PolarHBondContact O-N 3.13Å; A2326-K2328 VanDerWaalsContact C-N 3.3Å; A2326-K2328 PolarHBondContact O-N 3.2Å; A2326-Q2329 WeakPolarHBondContact O-CB 3.4Å; A2326-Q2329 PolarHBondContact O-N 3.13Å; A2326-Q2329 VanDerWaalsContact O-N 3.11Å; A2326-I2330 VanDerWaalsContact O-CG1 3.3Å; A2326-I2330 WeakPolarHBondContact O-CG1 3.35Å; A2326-I2330 PolarHBondContact O-N 3.12Å |
| 2327 | C | 87.6 | Confident | 81.5 | Confident | 1.2 Ų | 1.2 | 48.2 Ų | 48.2 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58 | -42.6 | 175.8 | -72 | 0 | 0 | 0 | 0 | 111.5 | F2323 D2324 Q2329 I2330 I2331 V2385 L2392 | F2323-C2327 VanDerWaalsContact CE1-SG 3.53Å; F2323-C2327 WeakPolarHBondContact CE1-SG 3.38Å; F2323-C2327 VanDerWaalsContact CZ-SG 3.55Å; F2323-C2327 PolarHBondContact O-N 2.89Å; F2323-C2327 PolarHBondContact O-SG 3.25Å; F2323-C2327 VanDerWaalsContact O-SG 3.38Å; D2324-C2327 PolarHBondContact O-N 3.2Å; C2327-Q2329 VanDerWaalsContact C-N 3.35Å; C2327-Q2329 PolarHBondContact O-N 2.98Å; C2327-I2330 PolarHBondContact O-N 3.16Å; C2327-I2331 WeakPolarHBondContact O-CB 3.31Å; C2327-I2331 VanDerWaalsContact O-CG1 3.31Å; C2327-I2331 WeakPolarHBondContact O-CG1 3.33Å; C2327-I2331 PolarHBondContact O-N 3.15Å; C2327-V2385 HydrophobicContact CB-CG1 4.35Å; C2327-L2392 HydrophobicContact CB-CD1 3.61Å |
| 2328 | K | 89.4 | Confident | 83.3 | Confident | 144.8 Ų | 144.8 | 43 Ų | 43 | 63% | 0.63 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.4 | -39.8 | 175.6 | -171.3 | 171.6 | -175.5 | 169.7 | 0 | 112.3 | D2324 A2325 A2326 G2332 L2392 | D2324-K2328 VanDerWaalsContact O-CB 3.3Å; D2324-K2328 WeakPolarHBondContact O-CB 3.38Å; D2324-K2328 PolarHBondContact O-N 3.13Å; A2325-K2328 PolarHBondContact O-N 2.85Å; A2326-K2328 VanDerWaalsContact C-N 3.3Å; A2326-K2328 PolarHBondContact O-N 3.2Å; K2328-G2332 PolarHBondContact O-N 3.12Å; K2328-G2332 VanDerWaalsContact O-N 3.11Å; K2328-L2392 HydrophobicContact CB-CD1 4.37Å; K2328-L2392 HydrophobicContact CB-CD2 4.35Å; K2328-L2392 HydrophobicContact CD-CD2 4.22Å; K2328-L2392 HydrophobicContact CG-CD2 4.37Å |
| 2329 | Q | 90.9 | Very high | 84.7 | Confident | 37.6 Ų | 37.6 | 43.2 Ų | 43.2 | 18% | 0.176 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.4 | -43.6 | 174.3 | -71.1 | 177.5 | 5.7 | 0 | 0 | 112 | I2270 F2277 L2281 A2325 A2326 C2327 R2333 | I2270-Q2329 PolarHBondContact O-NE2 3.13Å; I2270-Q2329 PolarHBondContact O-OE1 2.91Å; F2277-Q2329 HydrophobicContact CZ-CG 4.3Å; L2281-Q2329 HydrophobicContact CD1-CB 3.96Å; L2281-Q2329 HydrophobicContact CD1-CG 4.49Å; L2281-Q2329 HydrophobicContact CD2-CB 4.19Å; A2325-Q2329 VanDerWaalsContact O-CG 3.28Å; A2325-Q2329 WeakPolarHBondContact O-CG 3.44Å; A2325-Q2329 PolarHBondContact O-N 3.21Å; A2325-Q2329 VanDerWaalsContact O-N 3.1Å; A2326-Q2329 WeakPolarHBondContact O-CB 3.4Å; A2326-Q2329 PolarHBondContact O-N 3.13Å; A2326-Q2329 VanDerWaalsContact O-N 3.11Å; C2327-Q2329 VanDerWaalsContact C-N 3.35Å; C2327-Q2329 PolarHBondContact O-N 2.98Å; Q2329-R2333 VanDerWaalsContact O-CB 3.32Å; Q2329-R2333 WeakPolarHBondContact O-CB 3.34Å; Q2329-R2333 PolarHBondContact O-N 3.16Å; Q2329-R2333 VanDerWaalsContact O-N 3.14Å |
| 2330 | I | 90 | Very high | 85.8 | Confident | 6.2 Ų | 6.2 | 47.6 Ų | 47.6 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.9 | -52.8 | 179.3 | -67.9 | 166.2 | 0 | 0 | 0 | 110.5 | W2266 L2267 L2281 I2285 A2326 C2327 R2333 L2334 V2385 | W2266-I2330 WeakPolarHBondContact O-CD1 3.31Å; L2267-I2330 HydrophobicContact CD2-CD1 4.34Å; L2281-I2330 HydrophobicContact CD1-CG1 4.48Å; I2285-I2330 HydrophobicContact CG1-CG2 4.29Å; A2326-I2330 VanDerWaalsContact O-CG1 3.3Å; A2326-I2330 WeakPolarHBondContact O-CG1 3.35Å; A2326-I2330 PolarHBondContact O-N 3.12Å; C2327-I2330 PolarHBondContact O-N 3.16Å; I2330-R2333 PolarHBondContact O-N 3.2Å; I2330-L2334 HydrophobicContact CG2-CD1 3.67Å; I2330-L2334 HydrophobicContact CG2-CG 4.24Å; I2330-L2334 VanDerWaalsContact O-CB 3.29Å; I2330-L2334 WeakPolarHBondContact O-CB 3.36Å; I2330-L2334 VanDerWaalsContact O-CG 3.32Å; I2330-L2334 WeakPolarHBondContact O-CG 3.28Å; I2330-L2334 PolarHBondContact O-N 3.16Å; I2330-V2385 HydrophobicContact CG2-CG2 4.45Å |
| 2331 | I | 91.3 | Very high | 86.5 | Confident | 1.2 Ų | 1.2 | 47.2 Ų | 47.2 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.3 | -51.8 | 179.2 | -69 | 162.9 | 0 | 0 | 0 | 110.3 | C2327 R2333 L2334 I2335 L2382 V2385 L2392 V2393 | C2327-I2331 WeakPolarHBondContact O-CB 3.31Å; C2327-I2331 VanDerWaalsContact O-CG1 3.31Å; C2327-I2331 WeakPolarHBondContact O-CG1 3.33Å; C2327-I2331 PolarHBondContact O-N 3.15Å; I2331-R2333 VanDerWaalsContact C-N 3.25Å; I2331-R2333 PolarHBondContact O-N 3.19Å; I2331-L2334 WeakPolarHBondContact O-CB 3.43Å; I2331-L2334 PolarHBondContact O-N 3.04Å; I2331-L2334 VanDerWaalsContact O-N 3.16Å; I2331-I2335 HydrophobicContact CG2-CG1 4.46Å; I2331-I2335 WeakPolarHBondContact O-CG1 3.41Å; I2331-I2335 PolarHBondContact O-N 2.97Å; I2331-L2382 HydrophobicContact CG1-CD1 4.42Å; I2331-L2382 HydrophobicContact CG2-CD1 4.28Å; I2331-V2385 HydrophobicContact CD1-CG1 3.88Å; I2331-V2385 HydrophobicContact CG1-CG1 3.87Å; I2331-L2392 HydrophobicContact CD1-CB 3.44Å; I2331-L2392 VanDerWaalsContact CD1-CB 3.44Å; I2331-L2392 HydrophobicContact CD1-CD1 4.14Å; I2331-L2392 HydrophobicContact CD1-CG 4.45Å; I2331-V2393 HydrophobicContact CD1-CG2 3.7Å; I2331-V2393 HydrophobicContact CG1-CG2 4.18Å; I2331-V2393 HydrophobicContact CG2-CG2 4.03Å |
| 2332 | G | 91.2 | Very high | 86.7 | Confident | 27.4 Ų | 27.4 | 43.8 Ų | 43.8 | 28% | 0.282 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.3 | -39.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K2328 V2336 | K2328-G2332 PolarHBondContact O-N 3.12Å; K2328-G2332 VanDerWaalsContact O-N 3.11Å; G2332-V2336 WeakPolarHBondContact O-CG2 3.36Å; G2332-V2336 PolarHBondContact O-N 3.28Å |
| 2333 | R | 91.9 | Very high | 86.1 | Confident | 49 Ų | 49 | 40.4 Ų | 40.4 | 19% | 0.185 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -77 | -36.3 | 177.5 | -173.1 | 64.6 | -178.8 | 175.2 | 3.9 | 113.5 | S2278 L2281 D2282 I2285 Q2329 I2330 I2331 I2335 V2336 L2337 | S2278-R2333 VanDerWaalsContact OG-CZ 3.24Å; S2278-R2333 PolarHBondContact OG-NH1 3.12Å; S2278-R2333 PolarHBondContact OG-NH2 3.34Å; L2281-R2333 HydrophobicContact CB-CB 4.49Å; L2281-R2333 HydrophobicContact CB-CG 4.18Å; L2281-R2333 HydrophobicContact CD1-CB 4.31Å; L2281-R2333 HydrophobicContact CD1-CG 4.46Å; L2281-R2333 HydrophobicContact CD2-CB 3.25Å; L2281-R2333 HydrophobicContact CD2-CG 3.49Å; L2281-R2333 HydrophobicContact CG-CB 3.95Å; L2281-R2333 HydrophobicContact CG-CG 3.95Å; D2282-R2333 VanDerWaalsContact CG-NH2 3.3Å; D2282-R2333 IonicContact OD1-CZ 3.27Å; D2282-R2333 VanDerWaalsContact OD1-CZ 3.26Å; D2282-R2333 IonicContact OD1-NE 2.89Å; D2282-R2333 PolarHBondContact OD1-NE 3.21Å; D2282-R2333 IonicContact OD1-NH2 3.27Å; D2282-R2333 PolarHBondContact OD1-NH2 3.12Å; D2282-R2333 IonicContact OD2-CZ 3.34Å; D2282-R2333 IonicContact OD2-NE 2.95Å; D2282-R2333 IonicContact OD2-NH2 3.42Å; D2282-R2333 PolarHBondContact OD2-NH2 3.28Å; I2285-R2333 HydrophobicContact CD1-CB 3.7Å; I2285-R2333 HydrophobicContact CD1-CG 3.63Å; Q2329-R2333 VanDerWaalsContact O-CB 3.32Å; Q2329-R2333 WeakPolarHBondContact O-CB 3.34Å; Q2329-R2333 PolarHBondContact O-N 3.16Å; Q2329-R2333 VanDerWaalsContact O-N 3.14Å; I2330-R2333 PolarHBondContact O-N 3.2Å; I2331-R2333 VanDerWaalsContact C-N 3.25Å; I2331-R2333 PolarHBondContact O-N 3.19Å; R2333-I2335 VanDerWaalsContact C-N 3.33Å; R2333-I2335 PolarHBondContact O-N 3.21Å; R2333-V2336 WeakPolarHBondContact O-CB 3.17Å; R2333-V2336 PolarHBondContact O-N 3.18Å; R2333-L2337 HydrophobicContact CG-CD1 4.33Å; R2333-L2337 HydrophobicContact CG-CG 4.39Å; R2333-L2337 WeakPolarHBondContact O-CB 3.37Å; R2333-L2337 WeakPolarHBondContact O-CG 3.25Å; R2333-L2337 PolarHBondContact O-N 3.27Å |
| 2334 | L | 91 | Very high | 85.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.1 | -48.1 | 172.6 | -85.8 | 168.5 | 0 | 0 | 0 | 110.6 | I2285 I2330 I2331 V2336 L2337 I2338 L2378 C2381 L2382 | I2285-L2334 HydrophobicContact CB-CD2 4.48Å; I2285-L2334 HydrophobicContact CD1-CD2 4.29Å; I2285-L2334 HydrophobicContact CD1-CG 4.01Å; I2285-L2334 HydrophobicContact CG1-CD2 4.33Å; I2285-L2334 HydrophobicContact CG1-CG 4.2Å; I2285-L2334 HydrophobicContact CG2-CD2 3.43Å; I2285-L2334 VanDerWaalsContact CG2-CD2 3.42Å; I2285-L2334 HydrophobicContact CG2-CG 4.17Å; I2330-L2334 HydrophobicContact CG2-CD1 3.67Å; I2330-L2334 HydrophobicContact CG2-CG 4.24Å; I2330-L2334 VanDerWaalsContact O-CB 3.29Å; I2330-L2334 WeakPolarHBondContact O-CB 3.36Å; I2330-L2334 VanDerWaalsContact O-CG 3.32Å; I2330-L2334 WeakPolarHBondContact O-CG 3.28Å; I2330-L2334 PolarHBondContact O-N 3.16Å; I2331-L2334 WeakPolarHBondContact O-CB 3.43Å; I2331-L2334 PolarHBondContact O-N 3.04Å; I2331-L2334 VanDerWaalsContact O-N 3.16Å; L2334-V2336 VanDerWaalsContact C-N 3.33Å; L2334-V2336 PolarHBondContact O-N 3.14Å; L2334-L2337 PolarHBondContact O-N 3.24Å; L2334-L2337 VanDerWaalsContact O-N 3.13Å; L2334-I2338 WeakPolarHBondContact O-CB 3.28Å; L2334-I2338 VanDerWaalsContact O-CG1 3.25Å; L2334-I2338 WeakPolarHBondContact O-CG1 3.34Å; L2334-I2338 PolarHBondContact O-N 3.22Å; L2334-L2378 HydrophobicContact CD2-CB 4.32Å; L2334-L2378 HydrophobicContact CD2-CD2 4.02Å; L2334-C2381 HydrophobicContact CD1-CB 4.1Å; L2334-C2381 HydrophobicContact CD2-CB 4.13Å; L2334-L2382 HydrophobicContact CD1-CB 4.32Å; L2334-L2382 HydrophobicContact CD1-CD1 4.37Å |
| 2335 | I | 91.3 | Very high | 84 | Confident | 4.4 Ų | 4.4 | 44.6 Ų | 44.6 | 2% | 0.023 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 177.4 | -65 | -65.6 | 0 | 0 | 0 | 111.1 | I2331 R2333 L2337 I2338 K2339 L2382 H2396 F2399 L2400 | I2331-I2335 HydrophobicContact CG2-CG1 4.46Å; I2331-I2335 WeakPolarHBondContact O-CG1 3.41Å; I2331-I2335 PolarHBondContact O-N 2.97Å; R2333-I2335 VanDerWaalsContact C-N 3.33Å; R2333-I2335 PolarHBondContact O-N 3.21Å; I2335-L2337 PolarHBondContact O-N 3.13Å; I2335-I2338 PolarHBondContact O-N 3.23Å; I2335-K2339 HydrophobicContact CG2-CD 4.1Å; I2335-K2339 HydrophobicContact CG2-CG 4.42Å; I2335-K2339 VanDerWaalsContact O-CB 3.3Å; I2335-K2339 WeakPolarHBondContact O-CB 3.37Å; I2335-K2339 VanDerWaalsContact O-CG 3.3Å; I2335-K2339 WeakPolarHBondContact O-CG 3.38Å; I2335-K2339 PolarHBondContact O-N 3.33Å; I2335-L2382 HydrophobicContact CD1-CD1 4.5Å; I2335-L2382 HydrophobicContact CD1-CD2 3.83Å; I2335-H2396 HydrophobicContact CD1-CB 4.11Å; I2335-H2396 HydrophobicContact CG1-CB 4.23Å; I2335-F2399 HydrophobicContact CD1-CD1 4.22Å; I2335-F2399 HydrophobicContact CD1-CE1 4.26Å; I2335-F2399 HydrophobicContact CG2-CD1 4.06Å; I2335-F2399 HydrophobicContact CG2-CE1 4.19Å; I2335-L2400 HydrophobicContact CD1-CD2 4.17Å |
| 2336 | V | 89.7 | Confident | 82.6 | Confident | 68.6 Ų | 68.6 | 45.7 Ų | 45.7 | 42% | 0.416 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.3 | -42.3 | 174.8 | 171.2 | 0 | 0 | 0 | 0 | 111.8 | G2332 R2333 L2334 K2339 R2340 | G2332-V2336 WeakPolarHBondContact O-CG2 3.36Å; G2332-V2336 PolarHBondContact O-N 3.28Å; R2333-V2336 WeakPolarHBondContact O-CB 3.17Å; R2333-V2336 PolarHBondContact O-N 3.18Å; L2334-V2336 VanDerWaalsContact C-N 3.33Å; L2334-V2336 PolarHBondContact O-N 3.14Å; V2336-K2339 PolarHBondContact O-N 3.06Å; V2336-R2340 VanDerWaalsContact O-CB 3.29Å; V2336-R2340 WeakPolarHBondContact O-CB 3.41Å; V2336-R2340 PolarHBondContact O-N 3.27Å |
| 2337 | L | 87 | Confident | 80.9 | Confident | 5.8 Ų | 5.8 | 50.6 Ų | 50.6 | 3% | 0.03 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 178.2 | -72.3 | 175.4 | 0 | 0 | 0 | 112.2 | I2285 R2333 L2334 I2335 R2340 R2341 L2378 | I2285-L2337 HydrophobicContact CB-CD1 4.33Å; I2285-L2337 HydrophobicContact CD1-CD1 4.01Å; I2285-L2337 HydrophobicContact CG2-CD1 3.81Å; R2333-L2337 HydrophobicContact CG-CD1 4.33Å; R2333-L2337 HydrophobicContact CG-CG 4.39Å; R2333-L2337 WeakPolarHBondContact O-CB 3.37Å; R2333-L2337 WeakPolarHBondContact O-CG 3.25Å; R2333-L2337 PolarHBondContact O-N 3.27Å; L2334-L2337 PolarHBondContact O-N 3.24Å; L2334-L2337 VanDerWaalsContact O-N 3.13Å; I2335-L2337 PolarHBondContact O-N 3.13Å; L2337-R2340 PolarHBondContact O-N 3.23Å; L2337-R2341 WeakPolarHBondContact O-CB 3.4Å; L2337-R2341 VanDerWaalsContact O-CG 3.31Å; L2337-R2341 WeakPolarHBondContact O-CG 3.32Å; L2337-R2341 PolarHBondContact O-N 3.04Å; L2337-R2341 VanDerWaalsContact O-N 3.13Å; L2337-L2378 HydrophobicContact CB-CD1 4.24Å; L2337-L2378 HydrophobicContact CB-CD2 4.48Å; L2337-L2378 HydrophobicContact CD1-CD2 4.34Å |
| 2338 | I | 88.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.9 | -50.9 | 175.5 | -67.8 | 165.3 | 0 | 0 | 0 | 109.4 | L2334 I2335 R2340 R2341 I2342 M2375 L2378 M2379 L2382 F2399 L2403 F2432 | L2334-I2338 WeakPolarHBondContact O-CB 3.28Å; L2334-I2338 VanDerWaalsContact O-CG1 3.25Å; L2334-I2338 WeakPolarHBondContact O-CG1 3.34Å; L2334-I2338 PolarHBondContact O-N 3.22Å; I2335-I2338 PolarHBondContact O-N 3.23Å; I2338-R2340 VanDerWaalsContact C-N 3.33Å; I2338-R2340 PolarHBondContact O-N 3.11Å; I2338-R2341 PolarHBondContact O-N 3.26Å; I2338-I2342 HydrophobicContact CG2-CD1 3.46Å; I2338-I2342 VanDerWaalsContact CG2-CD1 3.46Å; I2338-I2342 VanDerWaalsContact O-CB 3.3Å; I2338-I2342 WeakPolarHBondContact O-CB 3.38Å; I2338-I2342 WeakPolarHBondContact O-CD1 3.48Å; I2338-I2342 WeakPolarHBondContact O-CG1 3.4Å; I2338-I2342 WeakPolarHBondContact O-CG2 3.25Å; I2338-I2342 PolarHBondContact O-N 3.16Å; I2338-M2375 HydrophobicContact CB-CE 4.02Å; I2338-M2375 HydrophobicContact CG1-CE 4.11Å; I2338-M2375 HydrophobicContact CG2-CE 4.15Å; I2338-L2378 HydrophobicContact CD1-CB 4.42Å; I2338-L2378 HydrophobicContact CG1-CB 4.06Å; I2338-L2378 HydrophobicContact CG1-CD1 4.42Å; I2338-M2379 HydrophobicContact CD1-CE 4.08Å; I2338-M2379 HydrophobicContact CD1-SD 4.42Å; I2338-M2379 HydrophobicContact CG2-CE 4.32Å; I2338-L2382 HydrophobicContact CD1-CD2 4.12Å; I2338-F2399 HydrophobicContact CG2-CE1 4.24Å; I2338-F2399 HydrophobicContact CG2-CZ 4.11Å; I2338-L2403 HydrophobicContact CG2-CD2 4.3Å; I2338-F2432 HydrophobicContact CG2-CZ 4.5Å |
| 2339 | K | 86.2 | Confident | 76 | Confident | 103.2 Ų | 103.2 | 55.2 Ų | 55.2 | 45% | 0.449 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -54.5 | -47 | 175.6 | -78 | -178.8 | 176.7 | -171.6 | 0 | 112.5 | I2335 V2336 R2341 I2342 G2343 F2399 | I2335-K2339 HydrophobicContact CG2-CD 4.1Å; I2335-K2339 HydrophobicContact CG2-CG 4.42Å; I2335-K2339 VanDerWaalsContact O-CB 3.3Å; I2335-K2339 WeakPolarHBondContact O-CB 3.37Å; I2335-K2339 VanDerWaalsContact O-CG 3.3Å; I2335-K2339 WeakPolarHBondContact O-CG 3.38Å; I2335-K2339 PolarHBondContact O-N 3.33Å; V2336-K2339 PolarHBondContact O-N 3.06Å; K2339-R2341 VanDerWaalsContact C-N 3.34Å; K2339-R2341 PolarHBondContact O-N 3.33Å; K2339-I2342 WeakPolarHBondContact O-CG2 3.34Å; K2339-I2342 PolarHBondContact O-N 3.08Å; K2339-G2343 PolarHBondContact O-N 2.93Å; K2339-G2343 VanDerWaalsContact O-N 3.1Å; K2339-F2399 HydrophobicContact CB-CZ 4.47Å; K2339-F2399 HydrophobicContact CD-CD2 4.38Å; K2339-F2399 HydrophobicContact CD-CE1 4.47Å; K2339-F2399 HydrophobicContact CD-CE2 4.22Å; K2339-F2399 HydrophobicContact CD-CZ 4.37Å; K2339-F2399 VanDerWaalsContact CE-CD2 3.42Å; K2339-F2399 VanDerWaalsContact CE-CG 3.47Å; K2339-F2399 HydrophobicContact CG-CD1 4.45Å; K2339-F2399 HydrophobicContact CG-CD2 4.12Å; K2339-F2399 HydrophobicContact CG-CE1 3.96Å; K2339-F2399 HydrophobicContact CG-CE2 3.48Å; K2339-F2399 VanDerWaalsContact CG-CE2 3.47Å; K2339-F2399 HydrophobicContact CG-CZ 3.39Å; K2339-F2399 VanDerWaalsContact CG-CZ 3.42Å |
| 2340 | R | 84.4 | Confident | 73.3 | Confident | 157.4 Ų | 157.4 | 57.7 Ų | 57.7 | 59% | 0.594 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.4 | -37 | 180 | -177.5 | 174.8 | 78.8 | 167.2 | -2.7 | 112.6 | V2336 L2337 I2338 | V2336-R2340 VanDerWaalsContact O-CB 3.29Å; V2336-R2340 WeakPolarHBondContact O-CB 3.41Å; V2336-R2340 PolarHBondContact O-N 3.27Å; L2337-R2340 PolarHBondContact O-N 3.23Å; I2338-R2340 VanDerWaalsContact C-N 3.33Å; I2338-R2340 PolarHBondContact O-N 3.11Å |
| 2341 | R | 78.9 | Confident | 70.6 | Confident | 72.2 Ų | 72.2 | 66.5 Ų | 66.5 | 27% | 0.272 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -86.6 | -22.2 | -177.7 | -71.4 | -179.4 | -177.3 | -101 | 6.6 | 113.3 | L2337 I2338 K2339 G2343 P2344 F2371 M2375 | L2337-R2341 WeakPolarHBondContact O-CB 3.4Å; L2337-R2341 VanDerWaalsContact O-CG 3.31Å; L2337-R2341 WeakPolarHBondContact O-CG 3.32Å; L2337-R2341 PolarHBondContact O-N 3.04Å; L2337-R2341 VanDerWaalsContact O-N 3.13Å; I2338-R2341 PolarHBondContact O-N 3.26Å; K2339-R2341 VanDerWaalsContact C-N 3.34Å; K2339-R2341 PolarHBondContact O-N 3.33Å; R2341-G2343 VanDerWaalsContact C-N 3.35Å; R2341-G2343 PolarHBondContact O-N 3.27Å; R2341-P2344 WeakPolarHBondContact O-CD 3.36Å; R2341-F2371 HydrophobicContact CB-CE1 4.32Å; R2341-F2371 HydrophobicContact CB-CZ 4.36Å; R2341-F2371 WeakPolarHBondContact O-CD1 3.44Å; R2341-F2371 WeakPolarHBondContact O-CE1 3.27Å; R2341-F2371 VanDerWaalsContact O-CZ 3.25Å; R2341-F2371 WeakPolarHBondContact O-CZ 3.34Å; R2341-M2375 HydrophobicContact CB-CE 3.94Å; R2341-M2375 HydrophobicContact CB-CG 4.38Å; R2341-M2375 HydrophobicContact CB-SD 3.27Å; R2341-M2375 WeakPolarHBondContact CB-SD 3.29Å; R2341-M2375 WeakPolarHBondContact CD-SD 3.38Å; R2341-M2375 HydrophobicContact CG-SD 4.14Å |
| 2342 | I | 77 | Confident | 67.6 | Low | 10.8 Ų | 10.8 | 75.6 Ų | 75.6 | 6% | 0.055 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -79.9 | -23.4 | 179.1 | -141.4 | 112.9 | 0 | 0 | 0 | 112.9 | I2338 K2339 P2344 L2345 L2346 L2372 M2375 L2403 F2432 | I2338-I2342 HydrophobicContact CG2-CD1 3.46Å; I2338-I2342 VanDerWaalsContact CG2-CD1 3.46Å; I2338-I2342 VanDerWaalsContact O-CB 3.3Å; I2338-I2342 WeakPolarHBondContact O-CB 3.38Å; I2338-I2342 WeakPolarHBondContact O-CD1 3.48Å; I2338-I2342 WeakPolarHBondContact O-CG1 3.4Å; I2338-I2342 WeakPolarHBondContact O-CG2 3.25Å; I2338-I2342 PolarHBondContact O-N 3.16Å; K2339-I2342 WeakPolarHBondContact O-CG2 3.34Å; K2339-I2342 PolarHBondContact O-N 3.08Å; I2342-P2344 VanDerWaalsContact C-CD 3.42Å; I2342-P2344 VanDerWaalsContact C-N 3.32Å; I2342-P2344 VanDerWaalsContact O-N 3.16Å; I2342-L2345 HydrophobicContact CD1-CD1 4.21Å; I2342-L2345 HydrophobicContact CG1-CD1 4.26Å; I2342-L2345 WeakPolarHBondContact O-CA 3.16Å; I2342-L2345 VanDerWaalsContact O-CB 3.24Å; I2342-L2345 WeakPolarHBondContact O-CB 3.44Å; I2342-L2345 PolarHBondContact O-N 3.14Å; I2342-L2346 HydrophobicContact CB-CD1 4.32Å; I2342-L2346 HydrophobicContact CG1-CD1 3.87Å; I2342-L2346 HydrophobicContact CG1-CD2 4.46Å; I2342-L2346 HydrophobicContact CG1-CG 4.08Å; I2342-L2346 HydrophobicContact CG2-CD1 3.69Å; I2342-L2346 HydrophobicContact CG2-CD2 4.39Å; I2342-L2346 HydrophobicContact CG2-CG 4.34Å; I2342-L2346 WeakPolarHBondContact O-CD1 3.45Å; I2342-L2346 PolarHBondContact O-N 3.27Å; I2342-L2372 HydrophobicContact CD1-CD2 4.15Å; I2342-M2375 HydrophobicContact CB-CE 4.03Å; I2342-M2375 HydrophobicContact CD1-CE 3.59Å; I2342-M2375 HydrophobicContact CD1-SD 4.44Å; I2342-M2375 HydrophobicContact CG1-CE 4.09Å; I2342-M2375 HydrophobicContact CG1-SD 4.03Å; I2342-L2403 HydrophobicContact CD1-CD1 3.56Å; I2342-L2403 HydrophobicContact CD1-CD2 4.33Å; I2342-L2403 HydrophobicContact CD1-CG 4.3Å; I2342-L2403 HydrophobicContact CG1-CD1 3.64Å; I2342-F2432 HydrophobicContact CD1-CE1 4.29Å; I2342-F2432 HydrophobicContact CD1-CZ 4.01Å |
| 2343 | G | 68.5 | Low | 64.7 | Low | 34.6 Ų | 34.6 | 81.4 Ų | 81.4 | 36% | 0.357 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -45.9 | -48.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | K2339 R2341 L2345 L2346 V2347 | K2339-G2343 PolarHBondContact O-N 2.93Å; K2339-G2343 VanDerWaalsContact O-N 3.1Å; R2341-G2343 VanDerWaalsContact C-N 3.35Å; R2341-G2343 PolarHBondContact O-N 3.27Å; G2343-L2345 VanDerWaalsContact C-N 3.3Å; G2343-L2345 PolarHBondContact O-N 3.06Å; G2343-L2345 VanDerWaalsContact O-N 3.13Å; G2343-L2346 PolarHBondContact O-N 3.04Å; G2343-V2347 PolarHBondContact O-N 2.65Å |
| 2344 | P | 61.3 | Low | 61.9 | Low | 90.8 Ų | 90.8 | 85.9 Ų | 85.9 | 59% | 0.59 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66.4 | -20.8 | 177.6 | -21 | 33.1 | 0 | 0 | 0 | 115.1 | R2341 I2342 L2346 F2371 | R2341-P2344 WeakPolarHBondContact O-CD 3.36Å; I2342-P2344 VanDerWaalsContact C-CD 3.42Å; I2342-P2344 VanDerWaalsContact C-N 3.32Å; I2342-P2344 VanDerWaalsContact O-N 3.16Å; P2344-L2346 VanDerWaalsContact C-N 3.32Å; P2344-F2371 HydrophobicContact CG-CE1 4.23Å; P2344-F2371 HydrophobicContact CG-CZ 4.31Å |
| 2345 | L | 55.3 | Low | 59 | Low | 79 Ų | 79 | 96 Ų | 96 | 41% | 0.414 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -84.3 | -19.3 | 179.9 | -85.7 | 157.3 | 0 | 0 | 0 | 112.6 | I2342 G2343 F2371 L2372 M2375 | I2342-L2345 HydrophobicContact CD1-CD1 4.21Å; I2342-L2345 HydrophobicContact CG1-CD1 4.26Å; I2342-L2345 WeakPolarHBondContact O-CA 3.16Å; I2342-L2345 VanDerWaalsContact O-CB 3.24Å; I2342-L2345 WeakPolarHBondContact O-CB 3.44Å; I2342-L2345 PolarHBondContact O-N 3.14Å; G2343-L2345 VanDerWaalsContact C-N 3.3Å; G2343-L2345 PolarHBondContact O-N 3.06Å; G2343-L2345 VanDerWaalsContact O-N 3.13Å; L2345-F2371 HydrophobicContact CD1-CD1 3.87Å; L2345-F2371 HydrophobicContact CD1-CE1 4.23Å; L2345-F2371 HydrophobicContact CD2-CE1 4.5Å; L2345-F2371 HydrophobicContact CG-CE1 4.31Å; L2345-L2372 HydrophobicContact CD1-CD1 4.37Å; L2345-L2372 HydrophobicContact CD1-CD2 3.88Å; L2345-L2372 HydrophobicContact CD1-CG 3.84Å; L2345-L2372 HydrophobicContact CD2-CD2 3.77Å; L2345-L2372 HydrophobicContact CG-CD2 4.47Å; L2345-M2375 HydrophobicContact CD1-CG 4.46Å |
| 2346 | L | 56.6 | Low | 56 | Low | 62.6 Ų | 62.6 | 104.6 Ų | 104.6 | 33% | 0.328 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -100.5 | -12.4 | -172.7 | -75.8 | 153 | 0 | 0 | 0 | 114.1 | I2342 G2343 P2344 P2348 L2403 K2406 | I2342-L2346 HydrophobicContact CB-CD1 4.32Å; I2342-L2346 HydrophobicContact CG1-CD1 3.87Å; I2342-L2346 HydrophobicContact CG1-CD2 4.46Å; I2342-L2346 HydrophobicContact CG1-CG 4.08Å; I2342-L2346 HydrophobicContact CG2-CD1 3.69Å; I2342-L2346 HydrophobicContact CG2-CD2 4.39Å; I2342-L2346 HydrophobicContact CG2-CG 4.34Å; I2342-L2346 WeakPolarHBondContact O-CD1 3.45Å; I2342-L2346 PolarHBondContact O-N 3.27Å; G2343-L2346 PolarHBondContact O-N 3.04Å; P2344-L2346 VanDerWaalsContact C-N 3.32Å; L2346-P2348 VanDerWaalsContact O-CD 3.26Å; L2346-P2348 WeakPolarHBondContact O-CD 3.39Å; L2346-L2403 HydrophobicContact CD1-CD1 4.37Å; L2346-K2406 HydrophobicContact CD1-CB 4.47Å; L2346-K2406 HydrophobicContact CD1-CD 4.23Å; L2346-K2406 HydrophobicContact CD2-CB 3.79Å; L2346-K2406 VanDerWaalsContact CD2-CB 3.44Å; L2346-K2406 HydrophobicContact CD2-CD 3.82Å; L2346-K2406 HydrophobicContact CD2-CG 4.29Å |
| 2347 | V | 50.9 | Low | 53 | Low | 104.8 Ų | 104.8 | 106 Ų | 106 | 64% | 0.635 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -83.3 | 111.5 | 174.7 | -179.4 | 0 | 0 | 0 | 0 | 108 | G2343 T2349 | G2343-V2347 PolarHBondContact O-N 2.65Å; V2347-T2349 PolarHBondContact O-N 3.21Å; V2347-T2349 VanDerWaalsContact O-N 3.17Å |
| 2348 | P | 41.9 | Very low | 50.2 | Low | 106 Ų | 106 | 114.4 Ų | 114.4 | 69% | 0.688 | 59% | 0.591 | S | S | * | * | trans | -65.1 | 122.5 | 173.1 | -10.4 | 26.6 | 0 | 0 | 0 | 107.3 | L2346 S2350 | L2346-P2348 VanDerWaalsContact O-CD 3.26Å; L2346-P2348 WeakPolarHBondContact O-CD 3.39Å; P2348-S2350 PolarHBondContact O-N 3.19Å | ||
| 2349 | T | 33.2 | Very low | 47.2 | Very low | 137.2 Ų | 137.2 | 119.8 Ų | 119.8 | 84% | 0.842 | 63% | 0.629 | S | S | * | * | trans | -70.2 | 71.6 | 177.4 | -27.5 | 0 | 0 | 0 | 0 | 109.8 | V2347 K2351 | V2347-T2349 PolarHBondContact O-N 3.21Å; V2347-T2349 VanDerWaalsContact O-N 3.17Å; T2349-K2351 PolarHBondContact O-N 3.46Å | ||
| 2350 | S | 32.8 | Very low | 44.5 | Very low | 91 Ų | 91 | 121.5 Ų | 121.5 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | trans | -102 | 121.6 | 169.4 | 95.9 | 0 | 0 | 0 | 0 | 108 | P2348 | P2348-S2350 PolarHBondContact O-N 3.19Š| ||
| 2351 | K | 33.6 | Very low | 41.8 | Very low | 191.4 Ų | 191.4 | 121.6 Ų | 121.6 | 83% | 0.832 | 66% | 0.655 | S | S | * | * | trans | 91.1 | 65.7 | 170.7 | -58.2 | 174.6 | -176.5 | -178 | 0 | 115.2 | T2349 L2353 | T2349-K2351 PolarHBondContact O-N 3.46Å; K2351-L2353 VanDerWaalsContact C-N 3.34Å | ||
| 2352 | Q | 28.9 | Very low | 39.3 | Very low | 190.8 Ų | 190.8 | 123.6 Ų | 123.6 | 89% | 0.892 | 68% | 0.681 | S | S | * | * | trans | -109.4 | 71.8 | 143.7 | -78.5 | -169.5 | -21.8 | 0 | 0 | 108.6 | ||||
| 2353 | L | 29.1 | Very low | 36.9 | Very low | 148.8 Ų | 148.8 | 133.4 Ų | 133.4 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | trans | -113.3 | 119.7 | 165.5 | -101 | 154.9 | 0 | 0 | 0 | 107.4 | K2351 | K2351-L2353 VanDerWaalsContact C-N 3.34Š| ||
| 2354 | I | 33 | Very low | 34.9 | Very low | 145.2 Ų | 145.2 | 138.1 Ų | 138.1 | 75% | 0.745 | 74% | 0.739 | S | S | * | * | trans | 68.6 | 90.2 | 160.3 | -44 | 168.6 | 0 | 0 | 0 | 115.8 | ||||
| 2355 | K | 31.8 | Very low | 33.2 | Very low | 210.6 Ų | 210.6 | 139.6 Ų | 139.6 | 92% | 0.916 | 75% | 0.751 | S | S | * | * | -147.9 | 93.7 | 129.3 | -94.1 | -178.5 | -177.8 | -175.8 | 0 | 108.6 | |||||
| 2356 | Q | 27.8 | Very low | 32 | Very low | 186.6 Ų | 186.6 | 140.6 Ų | 140.6 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | trans | -68.9 | 126.8 | 163.3 | -72.5 | 170.8 | -24.9 | 0 | 0 | 108.3 | ||||
| 2357 | S | 26.9 | Very low | 30.7 | Very low | 97.4 Ų | 97.4 | 146.1 Ų | 146.1 | 68% | 0.681 | 79% | 0.789 | S | S | * | * | trans | 174.1 | 123.5 | 132.5 | 56.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2358 | H | 27.4 | Very low | 29.7 | Very low | 181.6 Ų | 181.6 | 145.6 Ų | 145.6 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | 66.2 | 122.2 | 160.8 | -54 | -66.3 | 0 | 0 | 0 | 119.8 | ||||
| 2359 | S | 26.7 | Very low | 29.3 | Very low | 114.6 Ų | 114.6 | 145.5 Ų | 145.5 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | 99 | 128.1 | 124.1 | 58.3 | 0 | 0 | 0 | 0 | 115.9 | E2361 | S2359-E2361 PolarHBondContact O-N 3.24Š| |||
| 2360 | V | 28.3 | Very low | 30.1 | Very low | 138.6 Ų | 138.6 | 141.7 Ų | 141.7 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | -45 | 111.6 | 167.4 | -176.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2361 | E | 27.6 | Very low | 30.9 | Very low | 158.8 Ų | 158.8 | 141.3 Ų | 141.3 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | trans | -148.3 | 112.2 | 141.6 | -99.9 | -173.1 | -173.9 | 0 | 0 | 110.2 | S2359 R2363 | S2359-E2361 PolarHBondContact O-N 3.24Å; E2361-R2363 VanDerWaalsContact C-N 3.32Å; E2361-R2363 PolarHBondContact O-N 3.04Å; E2361-R2363 IonicContact OE2-CZ 3.88Å; E2361-R2363 IonicContact OE2-NE 3.94Å; E2361-R2363 PolarHBondContact OE2-NE 3.37Å; E2361-R2363 IonicContact OE2-NH2 2.76Å; E2361-R2363 PolarHBondContact OE2-NH2 2.92Å | ||
| 2362 | S | 25.8 | Very low | 31.8 | Very low | 115.4 Ų | 115.4 | 133.8 Ų | 133.8 | 81% | 0.807 | 72% | 0.724 | S | S | * | * | trans | -69.3 | 101.2 | 177.2 | 46.6 | 0 | 0 | 0 | 0 | 111.6 | T2364 | S2362-T2364 PolarHBondContact O-N 2.88Š| ||
| 2363 | R | 27.4 | Very low | 33.2 | Very low | 214.8 Ų | 214.8 | 127.2 Ų | 127.2 | 81% | 0.811 | 70% | 0.699 | S | S | * | * | trans | -115.3 | 103.7 | 163.3 | -71.6 | -172.6 | -176.8 | 179.6 | 3.4 | 110.7 | E2361 S2365 | E2361-R2363 VanDerWaalsContact C-N 3.32Å; E2361-R2363 PolarHBondContact O-N 3.04Å; E2361-R2363 IonicContact OE2-CZ 3.88Å; E2361-R2363 IonicContact OE2-NE 3.94Å; E2361-R2363 PolarHBondContact OE2-NE 3.37Å; E2361-R2363 IonicContact OE2-NH2 2.76Å; E2361-R2363 PolarHBondContact OE2-NH2 2.92Å; R2363-S2365 VanDerWaalsContact C-N 3.35Å; R2363-S2365 PolarHBondContact O-N 3.24Å; R2363-S2365 VanDerWaalsContact O-N 3.17Å | ||
| 2364 | T | 26.8 | Very low | 35 | Very low | 134.4 Ų | 134.4 | 123.9 Ų | 123.9 | 83% | 0.825 | 68% | 0.683 | S | S | * | * | trans | -33.9 | 106.8 | 169.7 | 47.7 | 0 | 0 | 0 | 0 | 113.9 | S2362 S2366 | S2362-T2364 PolarHBondContact O-N 2.88Å; T2364-S2366 PolarHBondContact O-N 3.22Å | ||
| 2365 | S | 26.3 | Very low | 37.2 | Very low | 121.6 Ų | 121.6 | 117.2 Ų | 117.2 | 85% | 0.85 | 65% | 0.648 | S | S | * | * | trans | -74.9 | 91.3 | 173.8 | 52 | 0 | 0 | 0 | 0 | 111.6 | R2363 Q2367 | R2363-S2365 VanDerWaalsContact C-N 3.35Å; R2363-S2365 PolarHBondContact O-N 3.24Å; R2363-S2365 VanDerWaalsContact O-N 3.17Å; S2365-Q2367 PolarHBondContact O-N 3.38Å; S2365-Q2367 VanDerWaalsContact O-N 3.07Å | ||
| 2366 | S | 28.3 | Very low | 39.6 | Very low | 101 Ų | 101 | 108.3 Ų | 108.3 | 71% | 0.706 | 61% | 0.609 | S | S | * | * | trans | -124.5 | 91.7 | 166.3 | 60 | 0 | 0 | 0 | 0 | 110.8 | T2364 S2368 | T2364-S2366 PolarHBondContact O-N 3.22Å; S2366-S2368 PolarHBondContact O-N 3.46Å | ||
| 2367 | Q | 29.6 | Very low | 42.2 | Very low | 177.8 Ų | 177.8 | 99.4 Ų | 99.4 | 83% | 0.831 | 57% | 0.568 | S | S | * | * | trans | -91.4 | 69.7 | 170.7 | -61.6 | -173.1 | 5.6 | 0 | 0 | 114.9 | S2365 P2369 | S2365-Q2367 PolarHBondContact O-N 3.38Å; S2365-Q2367 VanDerWaalsContact O-N 3.07Å; Q2367-P2369 VanDerWaalsContact C-CD 3.49Å; Q2367-P2369 VanDerWaalsContact O-CD 3.27Å; Q2367-P2369 WeakPolarHBondContact O-CD 3.37Å | ||
| 2368 | S | 30.5 | Very low | 45.2 | Very low | 93 Ų | 93 | 95.1 Ų | 95.1 | 65% | 0.65 | 54% | 0.537 | S | S | * | . | trans | -82.3 | 68.5 | 173.8 | 58.6 | 0 | 0 | 0 | 0 | 113.5 | S2366 S2370 F2371 | S2366-S2368 PolarHBondContact O-N 3.46Å; S2368-S2370 PolarHBondContact O-N 3.08Å; S2368-S2370 PolarHBondContact OG-OG 3.37Å; S2368-F2371 PolarHBondContact O-N 3.35Å; S2368-F2371 VanDerWaalsContact O-N 3.12Å | ||
| 2369 | P | 34.1 | Very low | 48.1 | Very low | 104.2 Ų | 104.2 | 86.4 Ų | 86.4 | 68% | 0.677 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.3 | 16.6 | -179.4 | 26.7 | -31.7 | 0 | 0 | 0 | 112.3 | Q2367 F2371 S2373 | Q2367-P2369 VanDerWaalsContact C-CD 3.49Å; Q2367-P2369 VanDerWaalsContact O-CD 3.27Å; Q2367-P2369 WeakPolarHBondContact O-CD 3.37Å; P2369-F2371 PolarHBondContact O-N 3.16Å; P2369-S2373 PolarHBondContact O-N 3.46Å |
| 2370 | S | 48.7 | Very low | 51 | Low | 58.8 Ų | 58.8 | 81 Ų | 81 | 41% | 0.411 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.5 | 10.2 | -176.7 | 62.6 | 0 | 0 | 0 | 0 | 113.3 | S2368 L2372 S2373 N2374 | S2368-S2370 PolarHBondContact O-N 3.08Å; S2368-S2370 PolarHBondContact OG-OG 3.37Å; S2370-L2372 VanDerWaalsContact C-N 3.28Å; S2370-L2372 PolarHBondContact O-N 3.37Å; S2370-L2372 VanDerWaalsContact O-N 3.11Å; S2370-S2373 VanDerWaalsContact O-CB 3.26Å; S2370-S2373 WeakPolarHBondContact O-CB 3.43Å; S2370-S2373 PolarHBondContact O-N 2.69Å; S2370-S2373 WeakPolarHBondContact OG-CB 3.4Å; S2370-N2374 PolarHBondContact O-N 3.28Å; S2370-N2374 VanDerWaalsContact O-N 3.11Å; S2370-N2374 PolarHBondContact O-ND2 3.03Å |
| 2371 | F | 50.9 | Low | 53.8 | Low | 82.2 Ų | 82.2 | 74.4 Ų | 74.4 | 36% | 0.361 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | -173 | -165.9 | -95.3 | 0 | 0 | 0 | 113.5 | R2341 P2344 L2345 S2368 P2369 S2373 N2374 M2375 | R2341-F2371 HydrophobicContact CB-CE1 4.32Å; R2341-F2371 HydrophobicContact CB-CZ 4.36Å; R2341-F2371 WeakPolarHBondContact O-CD1 3.44Å; R2341-F2371 WeakPolarHBondContact O-CE1 3.27Å; R2341-F2371 VanDerWaalsContact O-CZ 3.25Å; R2341-F2371 WeakPolarHBondContact O-CZ 3.34Å; P2344-F2371 HydrophobicContact CG-CE1 4.23Å; P2344-F2371 HydrophobicContact CG-CZ 4.31Å; L2345-F2371 HydrophobicContact CD1-CD1 3.87Å; L2345-F2371 HydrophobicContact CD1-CE1 4.23Å; L2345-F2371 HydrophobicContact CD2-CE1 4.5Å; L2345-F2371 HydrophobicContact CG-CE1 4.31Å; S2368-F2371 PolarHBondContact O-N 3.35Å; S2368-F2371 VanDerWaalsContact O-N 3.12Å; P2369-F2371 PolarHBondContact O-N 3.16Å; F2371-S2373 VanDerWaalsContact C-N 3.3Å; F2371-S2373 PolarHBondContact O-N 3.1Å; F2371-N2374 PolarHBondContact O-N 3.3Å; F2371-M2375 PolarHBondContact O-N 2.88Å |
| 2372 | L | 51.2 | Low | 56.8 | Low | 33.6 Ų | 33.6 | 66.9 Ų | 66.9 | 18% | 0.176 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -72.5 | -33.3 | -179.4 | -70.2 | 173.9 | 0 | 0 | 0 | 113 | I2342 L2345 S2370 N2374 M2375 H2376 T2428 N2429 | I2342-L2372 HydrophobicContact CD1-CD2 4.15Å; L2345-L2372 HydrophobicContact CD1-CD1 4.37Å; L2345-L2372 HydrophobicContact CD1-CD2 3.88Å; L2345-L2372 HydrophobicContact CD1-CG 3.84Å; L2345-L2372 HydrophobicContact CD2-CD2 3.77Å; L2345-L2372 HydrophobicContact CG-CD2 4.47Å; S2370-L2372 VanDerWaalsContact C-N 3.28Å; S2370-L2372 PolarHBondContact O-N 3.37Å; S2370-L2372 VanDerWaalsContact O-N 3.11Å; L2372-N2374 VanDerWaalsContact C-N 3.3Å; L2372-N2374 PolarHBondContact O-N 3.27Å; L2372-M2375 HydrophobicContact CD2-CE 3.64Å; L2372-M2375 WeakPolarHBondContact O-CB 3.23Å; L2372-M2375 PolarHBondContact O-N 3.06Å; L2372-M2375 VanDerWaalsContact O-N 3.07Å; L2372-H2376 PolarHBondContact O-N 2.94Å; L2372-T2428 HydrophobicContact CB-CG2 4.29Å; L2372-N2429 WeakPolarHBondContact CB-OD1 3.45Å; L2372-N2429 VanDerWaalsContact CD1-OD1 3.28Å; L2372-N2429 WeakPolarHBondContact CD1-OD1 3.26Å |
| 2373 | S | 59.2 | Low | 59.9 | Low | 51.4 Ų | 51.4 | 62.1 Ų | 62.1 | 36% | 0.359 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.1 | -38.1 | 175.4 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | I2293 P2369 S2370 F2371 M2375 H2376 G2377 T2428 | I2293-S2373 WeakPolarHBondContact CD1-O 3.38Å; P2369-S2373 PolarHBondContact O-N 3.46Å; S2370-S2373 VanDerWaalsContact O-CB 3.26Å; S2370-S2373 WeakPolarHBondContact O-CB 3.43Å; S2370-S2373 PolarHBondContact O-N 2.69Å; S2370-S2373 WeakPolarHBondContact OG-CB 3.4Å; F2371-S2373 VanDerWaalsContact C-N 3.3Å; F2371-S2373 PolarHBondContact O-N 3.1Å; S2373-M2375 VanDerWaalsContact C-N 3.32Å; S2373-M2375 PolarHBondContact O-N 3.21Å; S2373-H2376 PolarHBondContact O-N 2.99Å; S2373-G2377 PolarHBondContact O-N 3.24Å; S2373-T2428 WeakPolarHBondContact OG-CG2 3.33Å |
| 2374 | N | 66.6 | Low | 62.6 | Low | 81 Ų | 81 | 51.9 Ų | 51.9 | 43% | 0.433 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.9 | -25.2 | 175.7 | -72.9 | -33 | 0 | 0 | 0 | 113.1 | S2370 F2371 L2372 G2377 L2378 | S2370-N2374 PolarHBondContact O-N 3.28Å; S2370-N2374 VanDerWaalsContact O-N 3.11Å; S2370-N2374 PolarHBondContact O-ND2 3.03Å; F2371-N2374 PolarHBondContact O-N 3.3Å; L2372-N2374 VanDerWaalsContact C-N 3.3Å; L2372-N2374 PolarHBondContact O-N 3.27Å; N2374-G2377 PolarHBondContact O-N 3.4Å; N2374-L2378 WeakPolarHBondContact O-CG 3.37Å; N2374-L2378 PolarHBondContact O-N 3.1Å |
| 2375 | M | 79.5 | Confident | 65.4 | Low | 2.8 Ų | 2.8 | 45.7 Ų | 45.7 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -82.4 | -35.1 | -178.8 | -73.1 | -77.5 | -76.3 | 0 | 0 | 113.1 | I2338 R2341 I2342 L2345 F2371 L2372 S2373 G2377 L2378 M2379 F2432 | I2338-M2375 HydrophobicContact CB-CE 4.02Å; I2338-M2375 HydrophobicContact CG1-CE 4.11Å; I2338-M2375 HydrophobicContact CG2-CE 4.15Å; R2341-M2375 HydrophobicContact CB-CE 3.94Å; R2341-M2375 HydrophobicContact CB-CG 4.38Å; R2341-M2375 HydrophobicContact CB-SD 3.27Å; R2341-M2375 WeakPolarHBondContact CB-SD 3.29Å; R2341-M2375 WeakPolarHBondContact CD-SD 3.38Å; R2341-M2375 HydrophobicContact CG-SD 4.14Å; I2342-M2375 HydrophobicContact CB-CE 4.03Å; I2342-M2375 HydrophobicContact CD1-CE 3.59Å; I2342-M2375 HydrophobicContact CD1-SD 4.44Å; I2342-M2375 HydrophobicContact CG1-CE 4.09Å; I2342-M2375 HydrophobicContact CG1-SD 4.03Å; L2345-M2375 HydrophobicContact CD1-CG 4.46Å; F2371-M2375 PolarHBondContact O-N 2.88Å; L2372-M2375 HydrophobicContact CD2-CE 3.64Å; L2372-M2375 WeakPolarHBondContact O-CB 3.23Å; L2372-M2375 PolarHBondContact O-N 3.06Å; L2372-M2375 VanDerWaalsContact O-N 3.07Å; S2373-M2375 VanDerWaalsContact C-N 3.32Å; S2373-M2375 PolarHBondContact O-N 3.21Å; M2375-G2377 VanDerWaalsContact C-N 3.29Å; M2375-G2377 PolarHBondContact O-N 3.06Å; M2375-G2377 VanDerWaalsContact O-N 3.15Å; M2375-L2378 WeakPolarHBondContact O-CB 3.27Å; M2375-L2378 PolarHBondContact O-N 3.25Å; M2375-L2378 HydrophobicContact SD-CD1 4.2Å; M2375-M2379 PolarHBondContact O-N 3.13Å; M2375-M2379 VanDerWaalsContact O-N 3.12Å; M2375-F2432 HydrophobicContact CB-CD2 4.08Å; M2375-F2432 HydrophobicContact CB-CE2 4.17Å; M2375-F2432 HydrophobicContact CE-CE2 4.15Å; M2375-F2432 HydrophobicContact CE-CZ 4.38Å; M2375-F2432 WeakPolarHBondContact O-CD2 3.34Å |
| 2376 | H | 81.6 | Confident | 68.3 | Low | 23.8 Ų | 23.8 | 39.9 Ų | 39.9 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53.2 | -44.2 | 176.7 | 165.2 | 58.3 | 0 | 0 | 0 | 111.5 | L2372 S2373 L2378 M2379 A2380 Q2431 H2435 | L2372-H2376 PolarHBondContact O-N 2.94Å; S2373-H2376 PolarHBondContact O-N 2.99Å; H2376-L2378 PolarHBondContact O-N 3.07Å; H2376-M2379 PolarHBondContact O-N 3.2Å; H2376-A2380 WeakPolarHBondContact O-CB 3.17Å; H2376-A2380 PolarHBondContact O-N 3.17Å; H2376-Q2431 PolarHBondContact CD2-OE1 3.16Å; H2376-Q2431 VanDerWaalsContact CE1-CB 3.45Å; H2376-Q2431 WeakPolarHBondContact CE1-CB 3.34Å; H2376-Q2431 VanDerWaalsContact ND1-CB 3.31Å; H2376-Q2431 WeakPolarHBondContact ND1-CB 3.37Å; H2376-Q2431 PolarHBondContact ND1-O 3.24Å; H2376-Q2431 VanDerWaalsContact ND1-O 3.12Å; H2376-Q2431 PolarHBondContact NE2-OE1 2.84Å; H2376-H2435 AromaticContact CE1-CD2 3.31Å; H2376-H2435 PolarHBondContact CE1-CD2 3.25Å; H2376-H2435 AromaticContact CE1-NE2 3.19Å; H2376-H2435 PolarHBondContact CE1-NE2 3.31Å; H2376-H2435 AromaticContact ND1-CD2 3.43Å; H2376-H2435 PolarHBondContact ND1-CD2 3.19Å; H2376-H2435 VanDerWaalsContact ND1-CD2 3.32Å; H2376-H2435 AromaticContact ND1-NE2 3.83Å; H2376-H2435 AromaticContact NE2-NE2 3.93Å |
| 2377 | G | 83.1 | Confident | 70.8 | Confident | 0.6 Ų | 0.6 | 41.4 Ų | 41.4 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.7 | -36.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | A2289 I2293 S2373 N2374 M2375 M2379 A2380 C2381 | A2289-G2377 WeakPolarHBondContact CB-O 3.08Å; I2293-G2377 VanDerWaalsContact CD1-CA 3.41Å; S2373-G2377 PolarHBondContact O-N 3.24Å; N2374-G2377 PolarHBondContact O-N 3.4Å; M2375-G2377 VanDerWaalsContact C-N 3.29Å; M2375-G2377 PolarHBondContact O-N 3.06Å; M2375-G2377 VanDerWaalsContact O-N 3.15Å; G2377-M2379 VanDerWaalsContact C-N 3.32Å; G2377-M2379 PolarHBondContact O-N 3.29Å; G2377-A2380 PolarHBondContact O-N 3.13Å; G2377-C2381 VanDerWaalsContact O-CB 3.23Å; G2377-C2381 WeakPolarHBondContact O-CB 3.43Å; G2377-C2381 PolarHBondContact O-N 3.11Å; G2377-C2381 PolarHBondContact O-SG 2.94Å; G2377-C2381 VanDerWaalsContact O-SG 3.37Å |
| 2378 | L | 88.9 | Confident | 72.9 | Confident | 6.8 Ų | 6.8 | 33.6 Ų | 33.6 | 4% | 0.036 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66 | -39.4 | 175.2 | -65.3 | 176 | 0 | 0 | 0 | 111.2 | I2285 A2289 L2334 L2337 I2338 N2374 M2375 H2376 C2381 L2382 | I2285-L2378 HydrophobicContact CG2-CD2 3.48Å; I2285-L2378 VanDerWaalsContact CG2-CD2 3.45Å; A2289-L2378 HydrophobicContact CB-CD2 4.27Å; L2334-L2378 HydrophobicContact CD2-CB 4.32Å; L2334-L2378 HydrophobicContact CD2-CD2 4.02Å; L2337-L2378 HydrophobicContact CB-CD1 4.24Å; L2337-L2378 HydrophobicContact CB-CD2 4.48Å; L2337-L2378 HydrophobicContact CD1-CD2 4.34Å; I2338-L2378 HydrophobicContact CD1-CB 4.42Å; I2338-L2378 HydrophobicContact CG1-CB 4.06Å; I2338-L2378 HydrophobicContact CG1-CD1 4.42Å; N2374-L2378 WeakPolarHBondContact O-CG 3.37Å; N2374-L2378 PolarHBondContact O-N 3.1Å; M2375-L2378 WeakPolarHBondContact O-CB 3.27Å; M2375-L2378 PolarHBondContact O-N 3.25Å; M2375-L2378 HydrophobicContact SD-CD1 4.2Å; H2376-L2378 PolarHBondContact O-N 3.07Å; L2378-C2381 WeakPolarHBondContact O-CB 3.48Å; L2378-C2381 PolarHBondContact O-N 3.03Å; L2378-L2382 PolarHBondContact O-N 3.07Å |
| 2379 | M | 89.8 | Confident | 75.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.4 | -37.5 | 176.2 | -167.1 | 57.8 | 71.9 | 0 | 0 | 111.9 | I2338 M2375 H2376 G2377 C2381 L2382 H2383 L2400 L2403 F2432 H2435 L2436 V2439 | I2338-M2379 HydrophobicContact CD1-CE 4.08Å; I2338-M2379 HydrophobicContact CD1-SD 4.42Å; I2338-M2379 HydrophobicContact CG2-CE 4.32Å; M2375-M2379 PolarHBondContact O-N 3.13Å; M2375-M2379 VanDerWaalsContact O-N 3.12Å; H2376-M2379 PolarHBondContact O-N 3.2Å; G2377-M2379 VanDerWaalsContact C-N 3.32Å; G2377-M2379 PolarHBondContact O-N 3.29Å; M2379-C2381 VanDerWaalsContact C-N 3.33Å; M2379-C2381 PolarHBondContact O-N 3.16Å; M2379-L2382 PolarHBondContact O-N 2.92Å; M2379-L2382 HydrophobicContact SD-CB 4.43Å; M2379-L2382 HydrophobicContact SD-CD2 3.99Å; M2379-H2383 WeakPolarHBondContact O-CB 3.3Å; M2379-H2383 PolarHBondContact O-N 3.02Å; M2379-L2400 HydrophobicContact CE-CD2 4.46Å; M2379-L2403 HydrophobicContact CE-CD2 4.2Å; M2379-F2432 HydrophobicContact CB-CD2 3.69Å; M2379-F2432 HydrophobicContact CB-CE2 3.7Å; M2379-F2432 HydrophobicContact CB-CZ 4.48Å; M2379-F2432 HydrophobicContact CE-CD2 4.5Å; M2379-F2432 HydrophobicContact CE-CE1 4.05Å; M2379-F2432 HydrophobicContact CE-CE2 3.62Å; M2379-F2432 HydrophobicContact CE-CZ 3.33Å; M2379-F2432 HydrophobicContact CG-CD2 4.24Å; M2379-F2432 HydrophobicContact CG-CE2 4.16Å; M2379-H2435 HydrophobicContact CB-CB 4.19Å; M2379-H2435 HydrophobicContact CG-CB 3.58Å; M2379-L2436 HydrophobicContact CE-CB 4.17Å; M2379-L2436 HydrophobicContact CE-CD1 3.83Å; M2379-L2436 HydrophobicContact CE-CG 4.46Å; M2379-L2436 HydrophobicContact CG-CB 4.21Å; M2379-L2436 HydrophobicContact SD-CB 4.13Å; M2379-L2436 HydrophobicContact SD-CD1 4.15Å; M2379-V2439 HydrophobicContact SD-CG2 4.44Å |
| 2380 | A | 86.6 | Confident | 77.8 | Confident | 0.8 Ų | 0.8 | 27 Ų | 27 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.8 | -40.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T2292 H2376 G2377 L2382 H2383 L2384 H2435 | T2292-A2380 HydrophobicContact CG2-CB 3.61Å; H2376-A2380 WeakPolarHBondContact O-CB 3.17Å; H2376-A2380 PolarHBondContact O-N 3.17Å; G2377-A2380 PolarHBondContact O-N 3.13Å; A2380-L2382 VanDerWaalsContact C-N 3.34Å; A2380-H2383 WeakPolarHBondContact O-CB 3.4Å; A2380-H2383 PolarHBondContact O-N 3.12Å; A2380-L2384 WeakPolarHBondContact O-CB 3.27Å; A2380-L2384 PolarHBondContact O-N 3.2Å; A2380-H2435 VanDerWaalsContact CA-CD2 3.41Å; A2380-H2435 WeakPolarHBondContact CA-CD2 3.46Å; A2380-H2435 VanDerWaalsContact CB-CD2 3.43Å; A2380-H2435 WeakPolarHBondContact CB-CD2 3.46Å; A2380-H2435 VanDerWaalsContact CB-NE2 3.28Å; A2380-H2435 WeakPolarHBondContact CB-NE2 3.28Å |
| 2381 | C | 87.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 172.5 | -112.3 | 0 | 0 | 0 | 0 | 112.2 | L2288 A2289 L2334 G2377 L2378 M2379 H2383 L2384 V2385 | L2288-C2381 VanDerWaalsContact C-SG 3.51Å; L2288-C2381 HydrophobicContact CD2-CB 4.33Å; L2288-C2381 VanDerWaalsContact CD2-SG 3.59Å; L2288-C2381 WeakPolarHBondContact CD2-SG 3.35Å; L2288-C2381 HydrophobicContact CG-CB 4.47Å; L2288-C2381 VanDerWaalsContact CG-SG 3.56Å; A2289-C2381 WeakPolarHBondContact CA-SG 3.31Å; A2289-C2381 HydrophobicContact CB-CB 4.28Å; A2289-C2381 VanDerWaalsContact CB-SG 3.57Å; A2289-C2381 PolarHBondContact N-SG 3.26Å; L2334-C2381 HydrophobicContact CD1-CB 4.1Å; L2334-C2381 HydrophobicContact CD2-CB 4.13Å; G2377-C2381 VanDerWaalsContact O-CB 3.23Å; G2377-C2381 WeakPolarHBondContact O-CB 3.43Å; G2377-C2381 PolarHBondContact O-N 3.11Å; G2377-C2381 PolarHBondContact O-SG 2.94Å; G2377-C2381 VanDerWaalsContact O-SG 3.37Å; L2378-C2381 WeakPolarHBondContact O-CB 3.48Å; L2378-C2381 PolarHBondContact O-N 3.03Å; M2379-C2381 VanDerWaalsContact C-N 3.33Å; M2379-C2381 PolarHBondContact O-N 3.16Å; C2381-H2383 VanDerWaalsContact C-N 3.33Å; C2381-L2384 WeakPolarHBondContact O-CB 3.33Å; C2381-L2384 PolarHBondContact O-N 3.43Å; C2381-V2385 WeakPolarHBondContact O-CG2 3.34Å; C2381-V2385 PolarHBondContact O-N 3.12Å; C2381-V2385 VanDerWaalsContact O-N 3.11Å |
| 2382 | L | 91 | Very high | 81.3 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.6 | -48.6 | 175.6 | -176.5 | 61.1 | 0 | 0 | 0 | 110.3 | I2331 L2334 I2335 I2338 L2378 M2379 A2380 L2384 V2385 S2386 V2393 L2400 V2439 | I2331-L2382 HydrophobicContact CG1-CD1 4.42Å; I2331-L2382 HydrophobicContact CG2-CD1 4.28Å; L2334-L2382 HydrophobicContact CD1-CB 4.32Å; L2334-L2382 HydrophobicContact CD1-CD1 4.37Å; I2335-L2382 HydrophobicContact CD1-CD1 4.5Å; I2335-L2382 HydrophobicContact CD1-CD2 3.83Å; I2338-L2382 HydrophobicContact CD1-CD2 4.12Å; L2378-L2382 PolarHBondContact O-N 3.07Å; M2379-L2382 PolarHBondContact O-N 2.92Å; M2379-L2382 HydrophobicContact SD-CB 4.43Å; M2379-L2382 HydrophobicContact SD-CD2 3.99Å; A2380-L2382 VanDerWaalsContact C-N 3.34Å; L2382-L2384 VanDerWaalsContact C-N 3.32Å; L2382-L2384 PolarHBondContact O-N 3.14Å; L2382-V2385 PolarHBondContact O-N 3.24Å; L2382-V2385 VanDerWaalsContact O-N 3.07Å; L2382-S2386 VanDerWaalsContact O-CB 3.28Å; L2382-S2386 WeakPolarHBondContact O-CB 3.33Å; L2382-S2386 PolarHBondContact O-N 3.27Å; L2382-S2386 PolarHBondContact O-OG 3.1Å; L2382-V2393 HydrophobicContact CD1-CG1 4.46Å; L2382-V2393 HydrophobicContact CD1-CG2 4.36Å; L2382-L2400 HydrophobicContact CD2-CD1 4.4Å; L2382-L2400 HydrophobicContact CD2-CD2 4.08Å; L2382-V2439 HydrophobicContact CB-CG2 4.47Å; L2382-V2439 HydrophobicContact CD2-CG1 4.27Å; L2382-V2439 HydrophobicContact CD2-CG2 4.43Å; L2382-V2439 HydrophobicContact CG-CG1 4.3Å; L2382-V2439 HydrophobicContact CG-CG2 4.1Å |
| 2383 | H | 88.9 | Confident | 83.1 | Confident | 15.6 Ų | 15.6 | 24.5 Ų | 24.5 | 7% | 0.072 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -52.5 | -47.1 | 175.6 | 178 | -136.1 | 0 | 0 | 0 | 112.6 | F2300 M2379 A2380 C2381 S2386 Y2387 H2435 N2438 V2439 | F2300-H2383 AromaticContact CE1-CE1 3.77Å; F2300-H2383 AromaticContact CE1-ND1 3.73Å; F2300-H2383 AromaticContact CE2-ND1 3.83Å; F2300-H2383 HydrophobicContact CZ-CB 4.43Å; F2300-H2383 AromaticContact CZ-CE1 3.85Å; F2300-H2383 AromaticContact CZ-CG 3.95Å; F2300-H2383 AromaticContact CZ-ND1 3.45Å; F2300-H2383 WeakPolarHBondContact CZ-ND1 3.27Å; M2379-H2383 WeakPolarHBondContact O-CB 3.3Å; M2379-H2383 PolarHBondContact O-N 3.02Å; A2380-H2383 WeakPolarHBondContact O-CB 3.4Å; A2380-H2383 PolarHBondContact O-N 3.12Å; C2381-H2383 VanDerWaalsContact C-N 3.33Å; H2383-S2386 PolarHBondContact O-N 3.39Å; H2383-Y2387 PolarHBondContact O-N 3.15Å; H2383-H2435 HydrophobicContact CB-CB 4.09Å; H2383-H2435 AromaticContact CE1-ND1 3.94Å; H2383-H2435 AromaticContact CG-ND1 3.75Å; H2383-H2435 AromaticContact ND1-CE1 3.76Å; H2383-H2435 AromaticContact ND1-ND1 3.1Å; H2383-H2435 PolarHBondContact ND1-ND1 2.98Å; H2383-H2435 VanDerWaalsContact ND1-ND1 3.19Å; H2383-N2438 WeakPolarHBondContact CD2-CB 3.14Å; H2383-N2438 PolarHBondContact CE1-ND2 2.98Å; H2383-N2438 VanDerWaalsContact NE2-CB 3.27Å; H2383-N2438 WeakPolarHBondContact NE2-CB 3.29Å; H2383-N2438 PolarHBondContact NE2-ND2 3.12Å; H2383-V2439 VanDerWaalsContact CA-CG2 3.43Å; H2383-V2439 HydrophobicContact CB-CG2 3.77Å |
| 2384 | L | 85.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.6 | -51.3 | 177.7 | -179.9 | 76.7 | 0 | 0 | 0 | 112.7 | L2288 F2300 L2303 N2304 I2307 A2380 C2381 L2382 S2386 Y2387 | L2288-L2384 HydrophobicContact CD1-CD2 4.13Å; L2288-L2384 HydrophobicContact CG-CD2 4.47Å; F2300-L2384 HydrophobicContact CD1-CD1 4.49Å; F2300-L2384 HydrophobicContact CD2-CD1 4.23Å; F2300-L2384 HydrophobicContact CE1-CD1 4.1Å; F2300-L2384 HydrophobicContact CE2-CB 4.02Å; F2300-L2384 HydrophobicContact CE2-CD1 3.94Å; F2300-L2384 HydrophobicContact CE2-CG 4.47Å; F2300-L2384 HydrophobicContact CZ-CB 3.74Å; F2300-L2384 HydrophobicContact CZ-CD1 3.78Å; F2300-L2384 HydrophobicContact CZ-CG 4.4Å; L2303-L2384 HydrophobicContact CB-CD1 4.31Å; L2303-L2384 HydrophobicContact CD2-CD1 3.73Å; L2303-L2384 VanDerWaalsContact CD2-CD1 3.42Å; L2303-L2384 HydrophobicContact CD2-CD2 3.28Å; L2303-L2384 VanDerWaalsContact CD2-CD2 3.42Å; L2303-L2384 HydrophobicContact CD2-CG 4.04Å; L2303-L2384 HydrophobicContact CG-CD1 4.24Å; L2303-L2384 HydrophobicContact CG-CD2 3.9Å; N2304-L2384 HydrophobicContact CB-CD1 4.3Å; N2304-L2384 WeakPolarHBondContact OD1-CD1 3.34Å; I2307-L2384 HydrophobicContact CD1-CD1 4.12Å; I2307-L2384 HydrophobicContact CD1-CD2 3.91Å; I2307-L2384 HydrophobicContact CD1-CG 3.73Å; A2380-L2384 WeakPolarHBondContact O-CB 3.27Å; A2380-L2384 PolarHBondContact O-N 3.2Å; C2381-L2384 WeakPolarHBondContact O-CB 3.33Å; C2381-L2384 PolarHBondContact O-N 3.43Å; L2382-L2384 VanDerWaalsContact C-N 3.32Å; L2382-L2384 PolarHBondContact O-N 3.14Å; L2384-S2386 VanDerWaalsContact C-N 3.31Å; L2384-S2386 PolarHBondContact O-N 3.22Å; L2384-Y2387 WeakPolarHBondContact O-CB 3.36Å; L2384-Y2387 PolarHBondContact O-N 3.17Å |
| 2385 | V | 85.2 | Confident | 85.4 | Confident | 5.4 Ų | 5.4 | 24.9 Ų | 24.9 | 3% | 0.033 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.7 | -30.8 | -177.8 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | L2288 C2327 I2330 I2331 C2381 L2382 Y2387 S2388 K2389 | L2288-V2385 HydrophobicContact CD2-CG2 4.41Å; C2327-V2385 HydrophobicContact CB-CG1 4.35Å; I2330-V2385 HydrophobicContact CG2-CG2 4.45Å; I2331-V2385 HydrophobicContact CD1-CG1 3.88Å; I2331-V2385 HydrophobicContact CG1-CG1 3.87Å; C2381-V2385 WeakPolarHBondContact O-CG2 3.34Å; C2381-V2385 PolarHBondContact O-N 3.12Å; C2381-V2385 VanDerWaalsContact O-N 3.11Å; L2382-V2385 PolarHBondContact O-N 3.24Å; L2382-V2385 VanDerWaalsContact O-N 3.07Å; V2385-Y2387 VanDerWaalsContact C-N 3.29Å; V2385-Y2387 PolarHBondContact O-N 3.17Å; V2385-S2388 PolarHBondContact O-N 3.03Å; V2385-K2389 PolarHBondContact O-N 3.23Å |
| 2386 | S | 87.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.5 | -38.2 | 176.8 | -61 | 0 | 0 | 0 | 0 | 112.2 | L2382 H2383 L2384 S2388 K2389 P2390 V2393 I2442 | L2382-S2386 VanDerWaalsContact O-CB 3.28Å; L2382-S2386 WeakPolarHBondContact O-CB 3.33Å; L2382-S2386 PolarHBondContact O-N 3.27Å; L2382-S2386 PolarHBondContact O-OG 3.1Å; H2383-S2386 PolarHBondContact O-N 3.39Å; L2384-S2386 VanDerWaalsContact C-N 3.31Å; L2384-S2386 PolarHBondContact O-N 3.22Å; S2386-S2388 VanDerWaalsContact C-N 3.26Å; S2386-S2388 PolarHBondContact O-N 3.21Å; S2386-K2389 CarbonylContact O-C 3.3Å; S2386-K2389 PolarHBondContact O-N 3.23Å; S2386-P2390 WeakPolarHBondContact O-CA 3.29Å; S2386-P2390 WeakPolarHBondContact O-CD 3.25Å; S2386-P2390 VanDerWaalsContact O-N 3.12Å; S2386-V2393 WeakPolarHBondContact OG-CG2 3.31Å; S2386-I2442 WeakPolarHBondContact O-CG2 3.36Å |
| 2387 | Y | 80.5 | Confident | 86.2 | Confident | 130.6 Ų | 130.6 | 26.2 Ų | 26.2 | 51% | 0.512 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -59.8 | -35 | -179 | -166.1 | -90.1 | 0 | 0 | 0 | 112.4 | N2304 V2308 H2383 L2384 V2385 I2442 | N2304-Y2387 HydrophobicContact CB-CD1 4.3Å; N2304-Y2387 HydrophobicContact CB-CE1 4.45Å; N2304-Y2387 VanDerWaalsContact CG-CD1 3.46Å; N2304-Y2387 WeakPolarHBondContact ND2-CD1 3.49Å; N2304-Y2387 WeakPolarHBondContact ND2-CD2 3.22Å; N2304-Y2387 VanDerWaalsContact ND2-CE1 3.28Å; N2304-Y2387 WeakPolarHBondContact ND2-CE1 3.32Å; N2304-Y2387 VanDerWaalsContact ND2-CG 3.28Å; N2304-Y2387 WeakPolarHBondContact OD1-CB 3.32Å; N2304-Y2387 WeakPolarHBondContact OD1-CD1 3.34Å; V2308-Y2387 HydrophobicContact CG2-CD1 3.96Å; V2308-Y2387 HydrophobicContact CG2-CE1 4.13Å; H2383-Y2387 PolarHBondContact O-N 3.15Å; L2384-Y2387 WeakPolarHBondContact O-CB 3.36Å; L2384-Y2387 PolarHBondContact O-N 3.17Å; V2385-Y2387 VanDerWaalsContact C-N 3.29Å; V2385-Y2387 PolarHBondContact O-N 3.17Å; Y2387-I2442 HydrophobicContact CD2-CD1 4.09Å; Y2387-I2442 HydrophobicContact CD2-CG1 4.42Å |
| 2388 | S | 74.8 | Confident | 86.5 | Confident | 14.4 Ų | 14.4 | 27.3 Ų | 27.3 | 10% | 0.101 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -88.9 | -29.2 | -177.4 | -49.7 | 0 | 0 | 0 | 0 | 113.6 | I2307 V2385 S2386 | I2307-S2388 WeakPolarHBondContact CB-OG 3.38Å; I2307-S2388 VanDerWaalsContact CG2-CB 3.47Å; I2307-S2388 WeakPolarHBondContact CG2-OG 3.39Å; V2385-S2388 PolarHBondContact O-N 3.03Å; S2386-S2388 VanDerWaalsContact C-N 3.26Å; S2386-S2388 PolarHBondContact O-N 3.21Å |
| 2389 | K | 81.3 | Confident | 86.5 | Confident | 39.4 Ų | 39.4 | 28.6 Ų | 28.6 | 17% | 0.171 | 15% | 0.148 | C | C | . | . | trans | -141 | 67.8 | -177.4 | -67.5 | -69.9 | 173.7 | 154.6 | 0 | 111.6 | F2323 D2324 V2385 S2386 N2391 L2392 | F2323-K2389 HydrophobicContact CE1-CD 4.49Å; F2323-K2389 HydrophobicContact CE1-CG 4.14Å; D2324-K2389 VanDerWaalsContact CG-NZ 3.31Å; D2324-K2389 WeakPolarHBondContact OD1-CD 3.36Å; D2324-K2389 WeakPolarHBondContact OD1-CE 3.37Å; D2324-K2389 IonicContact OD1-NZ 3.28Å; D2324-K2389 PolarHBondContact OD1-NZ 3.21Å; D2324-K2389 IonicContact OD2-NZ 3.25Å; D2324-K2389 PolarHBondContact OD2-NZ 3.05Å; D2324-K2389 VanDerWaalsContact OD2-NZ 3.12Å; V2385-K2389 PolarHBondContact O-N 3.23Å; S2386-K2389 CarbonylContact O-C 3.3Å; S2386-K2389 PolarHBondContact O-N 3.23Å; K2389-N2391 VanDerWaalsContact C-N 3.3Å; K2389-N2391 PolarHBondContact O-N 3.07Å; K2389-L2392 HydrophobicContact CB-CB 4.41Å; K2389-L2392 HydrophobicContact CB-CD1 3.77Å; K2389-L2392 HydrophobicContact CB-CG 4.04Å; K2389-L2392 HydrophobicContact CG-CD1 4.17Å; K2389-L2392 PolarHBondContact O-N 3.17Å; K2389-L2392 VanDerWaalsContact O-N 3.14Å | ||
| 2390 | P | 85.6 | Confident | 86.6 | Confident | 19.2 Ų | 19.2 | 28.6 Ų | 28.6 | 13% | 0.125 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.9 | -35.4 | -177.6 | 24.1 | -34.9 | 0 | 0 | 0 | 112.7 | S2386 L2392 V2393 R2394 I2442 E2446 | S2386-P2390 WeakPolarHBondContact O-CA 3.29Å; S2386-P2390 WeakPolarHBondContact O-CD 3.25Å; S2386-P2390 VanDerWaalsContact O-N 3.12Å; P2390-L2392 PolarHBondContact O-N 3.07Å; P2390-L2392 VanDerWaalsContact O-N 3.15Å; P2390-V2393 WeakPolarHBondContact O-CA 3.49Å; P2390-V2393 PolarHBondContact O-N 3.16Å; P2390-R2394 PolarHBondContact O-N 3.11Å; P2390-R2394 VanDerWaalsContact O-N 3.14Å; P2390-I2442 HydrophobicContact CB-CG2 3.83Å; P2390-E2446 HydrophobicContact CB-CB 3.85Å; P2390-E2446 HydrophobicContact CB-CG 4.04Å; P2390-E2446 HydrophobicContact CG-CB 4.08Å; P2390-E2446 HydrophobicContact CG-CG 3.98Å; P2390-E2446 VanDerWaalsContact CG-OE2 3.32Å; P2390-E2446 WeakPolarHBondContact CG-OE2 3.34Å |
| 2391 | N | 85.3 | Confident | 86.8 | Confident | 81.4 Ų | 81.4 | 29 Ų | 29 | 44% | 0.435 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -58.3 | -27.7 | 177.8 | -77.2 | -46 | 0 | 0 | 0 | 114.4 | K2389 V2393 R2394 E2446 | K2389-N2391 VanDerWaalsContact C-N 3.3Å; K2389-N2391 PolarHBondContact O-N 3.07Å; N2391-V2393 VanDerWaalsContact C-N 3.31Å; N2391-R2394 PolarHBondContact OD1-NH1 3.16Å; N2391-E2446 VanDerWaalsContact CG-OE1 3.31Å; N2391-E2446 PolarHBondContact ND2-OE1 3.1Å; N2391-E2446 WeakPolarHBondContact OD1-CG 3.39Å; N2391-E2446 PolarHBondContact OD1-OE1 3.08Å; N2391-E2446 VanDerWaalsContact OD1-OE1 3.09Å |
| 2392 | L | 87 | Confident | 86.8 | Confident | 41 Ų | 41 | 32.1 Ų | 32.1 | 22% | 0.215 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -77.6 | -18.8 | 176.8 | -63.4 | -179.2 | 0 | 0 | 0 | 112.8 | C2327 K2328 I2331 K2389 P2390 | C2327-L2392 HydrophobicContact CB-CD1 3.61Å; K2328-L2392 HydrophobicContact CB-CD1 4.37Å; K2328-L2392 HydrophobicContact CB-CD2 4.35Å; K2328-L2392 HydrophobicContact CD-CD2 4.22Å; K2328-L2392 HydrophobicContact CG-CD2 4.37Å; I2331-L2392 HydrophobicContact CD1-CB 3.44Å; I2331-L2392 VanDerWaalsContact CD1-CB 3.44Å; I2331-L2392 HydrophobicContact CD1-CD1 4.14Å; I2331-L2392 HydrophobicContact CD1-CG 4.45Å; K2389-L2392 HydrophobicContact CB-CB 4.41Å; K2389-L2392 HydrophobicContact CB-CD1 3.77Å; K2389-L2392 HydrophobicContact CB-CG 4.04Å; K2389-L2392 HydrophobicContact CG-CD1 4.17Å; K2389-L2392 PolarHBondContact O-N 3.17Å; K2389-L2392 VanDerWaalsContact O-N 3.14Å; P2390-L2392 PolarHBondContact O-N 3.07Å; P2390-L2392 VanDerWaalsContact O-N 3.15Å |
| 2393 | V | 89.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -96.7 | -24.3 | -179.8 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | I2331 L2382 S2386 P2390 N2391 P2395 H2396 L2400 V2439 V2443 | I2331-V2393 HydrophobicContact CD1-CG2 3.7Å; I2331-V2393 HydrophobicContact CG1-CG2 4.18Å; I2331-V2393 HydrophobicContact CG2-CG2 4.03Å; L2382-V2393 HydrophobicContact CD1-CG1 4.46Å; L2382-V2393 HydrophobicContact CD1-CG2 4.36Å; S2386-V2393 WeakPolarHBondContact OG-CG2 3.31Å; P2390-V2393 WeakPolarHBondContact O-CA 3.49Å; P2390-V2393 PolarHBondContact O-N 3.16Å; N2391-V2393 VanDerWaalsContact C-N 3.31Å; V2393-P2395 VanDerWaalsContact C-CD 3.43Å; V2393-P2395 VanDerWaalsContact C-N 3.32Å; V2393-P2395 VanDerWaalsContact O-N 3.15Å; V2393-H2396 WeakPolarHBondContact O-CA 3.45Å; V2393-H2396 WeakPolarHBondContact O-CB 3.33Å; V2393-H2396 PolarHBondContact O-N 2.93Å; V2393-L2400 HydrophobicContact CG1-CD1 4Å; V2393-V2439 HydrophobicContact CG1-CG1 3.97Å; V2393-V2443 HydrophobicContact CB-CG2 3.92Å; V2393-V2443 HydrophobicContact CG1-CG2 3.86Å |
| 2394 | R | 87 | Confident | 86.8 | Confident | 50.2 Ų | 50.2 | 31.5 Ų | 31.5 | 19% | 0.189 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -43.8 | -44.3 | 176.8 | -179.4 | 174.6 | 176.1 | -171.7 | -0.3 | 114.6 | P2390 N2391 H2396 I2397 V2443 N2450 M2463 A2465 | P2390-R2394 PolarHBondContact O-N 3.11Å; P2390-R2394 VanDerWaalsContact O-N 3.14Å; N2391-R2394 PolarHBondContact OD1-NH1 3.16Å; R2394-H2396 PolarHBondContact O-N 3.27Å; R2394-H2396 VanDerWaalsContact O-N 3.08Å; R2394-I2397 WeakPolarHBondContact O-CB 3.27Å; R2394-I2397 VanDerWaalsContact O-CG2 3.25Å; R2394-I2397 WeakPolarHBondContact O-CG2 3.27Å; R2394-I2397 PolarHBondContact O-N 3.22Å; R2394-V2443 HydrophobicContact CB-CG1 4.28Å; R2394-N2450 PolarHBondContact NH1-OD1 2.83Å; R2394-M2463 PolarHBondContact NH2-O 3.08Å; R2394-A2465 HydrophobicContact CG-CB 3.93Å |
| 2395 | P | 86.9 | Confident | 87 | Confident | 91.2 Ų | 91.2 | 33.5 Ų | 33.5 | 59% | 0.592 | 17% | 0.172 | S | C | * | . | G | 310 helix | trans | -65.2 | -10 | 177.1 | -21.3 | 34.4 | 0 | 0 | 0 | 115.2 | V2393 | V2393-P2395 VanDerWaalsContact C-CD 3.43Å; V2393-P2395 VanDerWaalsContact C-N 3.32Å; V2393-P2395 VanDerWaalsContact O-N 3.15Å |
| 2396 | H | 89.2 | Confident | 87 | Confident | 52 Ų | 52 | 37.2 Ų | 37.2 | 24% | 0.241 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -108.3 | 0.8 | -178 | -58.4 | -46.6 | 0 | 0 | 0 | 113.1 | I2335 V2393 R2394 G2398 F2399 L2400 | I2335-H2396 HydrophobicContact CD1-CB 4.11Å; I2335-H2396 HydrophobicContact CG1-CB 4.23Å; V2393-H2396 WeakPolarHBondContact O-CA 3.45Å; V2393-H2396 WeakPolarHBondContact O-CB 3.33Å; V2393-H2396 PolarHBondContact O-N 2.93Å; R2394-H2396 PolarHBondContact O-N 3.27Å; R2394-H2396 VanDerWaalsContact O-N 3.08Å; H2396-G2398 VanDerWaalsContact C-N 3.33Å; H2396-G2398 PolarHBondContact O-N 3.26Å; H2396-F2399 WeakPolarHBondContact O-CB 3.35Å; H2396-F2399 PolarHBondContact O-N 3.21Å; H2396-F2399 VanDerWaalsContact O-N 3.12Å; H2396-L2400 WeakPolarHBondContact O-CG 3.38Å; H2396-L2400 PolarHBondContact O-N 3.2Å; H2396-L2400 VanDerWaalsContact O-N 3.16Å |
| 2397 | I | 89.4 | Confident | 86.9 | Confident | 0.6 Ų | 0.6 | 38.3 Ų | 38.3 | 0% | 0.003 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.7 | -40.3 | -174.8 | -166.2 | 55.4 | 0 | 0 | 0 | 112.9 | R2394 F2399 L2400 M2401 V2440 V2443 A2465 V2467 | R2394-I2397 WeakPolarHBondContact O-CB 3.27Å; R2394-I2397 VanDerWaalsContact O-CG2 3.25Å; R2394-I2397 WeakPolarHBondContact O-CG2 3.27Å; R2394-I2397 PolarHBondContact O-N 3.22Å; I2397-F2399 VanDerWaalsContact C-N 3.29Å; I2397-F2399 PolarHBondContact O-N 3.1Å; I2397-L2400 PolarHBondContact O-N 3Å; I2397-L2400 VanDerWaalsContact O-N 3.08Å; I2397-M2401 HydrophobicContact CD1-CG 4.38Å; I2397-M2401 HydrophobicContact CG1-CE 4.07Å; I2397-M2401 HydrophobicContact CG1-CG 4.37Å; I2397-M2401 HydrophobicContact CG1-SD 4.29Å; I2397-M2401 HydrophobicContact CG2-CE 4.37Å; I2397-M2401 WeakPolarHBondContact O-CG 3.31Å; I2397-M2401 PolarHBondContact O-N 3.19Å; I2397-V2440 HydrophobicContact CD1-CB 4.36Å; I2397-V2440 HydrophobicContact CD1-CG1 4.19Å; I2397-V2440 HydrophobicContact CD1-CG2 4.12Å; I2397-V2443 HydrophobicContact CB-CG1 4.04Å; I2397-V2443 HydrophobicContact CD1-CB 3.9Å; I2397-V2443 HydrophobicContact CD1-CG1 3.8Å; I2397-V2443 HydrophobicContact CD1-CG2 4.49Å; I2397-V2443 HydrophobicContact CG1-CB 4.49Å; I2397-V2443 HydrophobicContact CG1-CG1 3.89Å; I2397-A2465 HydrophobicContact CG2-CB 4.37Å; I2397-V2467 HydrophobicContact CG2-CG2 3.92Å |
| 2398 | G | 88.6 | Confident | 87.1 | Confident | 24.4 Ų | 24.4 | 32.2 Ų | 32.2 | 25% | 0.252 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.9 | -38.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | H2396 D2402 | H2396-G2398 VanDerWaalsContact C-N 3.33Å; H2396-G2398 PolarHBondContact O-N 3.26Å; G2398-D2402 VanDerWaalsContact O-CB 3.27Å; G2398-D2402 WeakPolarHBondContact O-CB 3.33Å; G2398-D2402 PolarHBondContact O-N 3.31Å |
| 2399 | F | 89.9 | Confident | 87.4 | Confident | 35.2 Ų | 35.2 | 37.2 Ų | 37.2 | 15% | 0.154 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.3 | -39.4 | 174.3 | 162.3 | -107.7 | 0 | 0 | 0 | 112.2 | I2335 I2338 K2339 H2396 I2397 L2403 | I2335-F2399 HydrophobicContact CD1-CD1 4.22Å; I2335-F2399 HydrophobicContact CD1-CE1 4.26Å; I2335-F2399 HydrophobicContact CG2-CD1 4.06Å; I2335-F2399 HydrophobicContact CG2-CE1 4.19Å; I2338-F2399 HydrophobicContact CG2-CE1 4.24Å; I2338-F2399 HydrophobicContact CG2-CZ 4.11Å; K2339-F2399 HydrophobicContact CB-CZ 4.47Å; K2339-F2399 HydrophobicContact CD-CD2 4.38Å; K2339-F2399 HydrophobicContact CD-CE1 4.47Å; K2339-F2399 HydrophobicContact CD-CE2 4.22Å; K2339-F2399 HydrophobicContact CD-CZ 4.37Å; K2339-F2399 VanDerWaalsContact CE-CD2 3.42Å; K2339-F2399 VanDerWaalsContact CE-CG 3.47Å; K2339-F2399 HydrophobicContact CG-CD1 4.45Å; K2339-F2399 HydrophobicContact CG-CD2 4.12Å; K2339-F2399 HydrophobicContact CG-CE1 3.96Å; K2339-F2399 HydrophobicContact CG-CE2 3.48Å; K2339-F2399 VanDerWaalsContact CG-CE2 3.47Å; K2339-F2399 HydrophobicContact CG-CZ 3.39Å; K2339-F2399 VanDerWaalsContact CG-CZ 3.42Å; H2396-F2399 WeakPolarHBondContact O-CB 3.35Å; H2396-F2399 PolarHBondContact O-N 3.21Å; H2396-F2399 VanDerWaalsContact O-N 3.12Å; I2397-F2399 VanDerWaalsContact C-N 3.29Å; I2397-F2399 PolarHBondContact O-N 3.1Å; F2399-L2403 HydrophobicContact CE1-CD2 4.48Å; F2399-L2403 HydrophobicContact CE2-CB 4.34Å; F2399-L2403 HydrophobicContact CZ-CD2 4.17Å; F2399-L2403 VanDerWaalsContact O-CB 3.25Å; F2399-L2403 WeakPolarHBondContact O-CB 3.47Å; F2399-L2403 PolarHBondContact O-N 3.18Å |
| 2400 | L | 91.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.2 | -37.8 | -179.4 | -63.8 | 173.4 | 0 | 0 | 0 | 111.6 | I2335 M2379 L2382 V2393 H2396 I2397 L2403 L2404 L2436 V2439 V2440 | I2335-L2400 HydrophobicContact CD1-CD2 4.17Å; M2379-L2400 HydrophobicContact CE-CD2 4.46Å; L2382-L2400 HydrophobicContact CD2-CD1 4.4Å; L2382-L2400 HydrophobicContact CD2-CD2 4.08Å; V2393-L2400 HydrophobicContact CG1-CD1 4Å; H2396-L2400 WeakPolarHBondContact O-CG 3.38Å; H2396-L2400 PolarHBondContact O-N 3.2Å; H2396-L2400 VanDerWaalsContact O-N 3.16Å; I2397-L2400 PolarHBondContact O-N 3Å; I2397-L2400 VanDerWaalsContact O-N 3.08Å; L2400-L2403 PolarHBondContact O-N 3.18Å; L2400-L2404 VanDerWaalsContact O-CB 3.27Å; L2400-L2404 WeakPolarHBondContact O-CB 3.35Å; L2400-L2404 PolarHBondContact O-N 3.23Å; L2400-L2436 HydrophobicContact CB-CD1 4.02Å; L2400-L2436 HydrophobicContact CD2-CD1 3.79Å; L2400-L2436 HydrophobicContact CG-CD1 4.46Å; L2400-V2439 HydrophobicContact CD1-CG1 3.56Å; L2400-V2440 HydrophobicContact CB-CG2 4.08Å |
| 2401 | M | 91.4 | Very high | 85.6 | Confident | 8.4 Ų | 8.4 | 39 Ų | 39 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.1 | -44.4 | 173.2 | -66.8 | -173.4 | -62.7 | 0 | 0 | 111.9 | I2397 L2403 L2404 H2405 V2440 V2467 F2472 L2475 | I2397-M2401 HydrophobicContact CD1-CG 4.38Å; I2397-M2401 HydrophobicContact CG1-CE 4.07Å; I2397-M2401 HydrophobicContact CG1-CG 4.37Å; I2397-M2401 HydrophobicContact CG1-SD 4.29Å; I2397-M2401 HydrophobicContact CG2-CE 4.37Å; I2397-M2401 WeakPolarHBondContact O-CG 3.31Å; I2397-M2401 PolarHBondContact O-N 3.19Å; M2401-L2403 VanDerWaalsContact C-N 3.28Å; M2401-L2403 PolarHBondContact O-N 3.12Å; M2401-L2404 WeakPolarHBondContact O-CB 3.44Å; M2401-L2404 PolarHBondContact O-N 3.16Å; M2401-L2404 VanDerWaalsContact O-N 3.15Å; M2401-H2405 WeakPolarHBondContact O-CB 3.29Å; M2401-H2405 PolarHBondContact O-N 2.93Å; M2401-V2440 HydrophobicContact CG-CG1 4.41Å; M2401-V2467 HydrophobicContact CE-CB 4.29Å; M2401-V2467 HydrophobicContact CE-CG1 3.6Å; M2401-V2467 HydrophobicContact CE-CG2 4.11Å; M2401-F2472 HydrophobicContact CE-CE1 4.32Å; M2401-F2472 HydrophobicContact CE-CE2 4.42Å; M2401-F2472 HydrophobicContact CE-CZ 4.32Å; M2401-F2472 HydrophobicContact SD-CD1 4.38Å; M2401-F2472 HydrophobicContact SD-CE1 4.3Å; M2401-L2475 HydrophobicContact CG-CD1 4.47Å; M2401-L2475 HydrophobicContact CG-CD2 4.16Å; M2401-L2475 HydrophobicContact SD-CB 4.4Å; M2401-L2475 HydrophobicContact SD-CD2 3.75Å |
| 2402 | D | 88.1 | Confident | 83.7 | Confident | 65.8 Ų | 65.8 | 40.3 Ų | 40.3 | 35% | 0.352 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.6 | -40.9 | 172.8 | -173.2 | 50.9 | 0 | 0 | 0 | 112 | G2398 H2405 K2406 | G2398-D2402 VanDerWaalsContact O-CB 3.27Å; G2398-D2402 WeakPolarHBondContact O-CB 3.33Å; G2398-D2402 PolarHBondContact O-N 3.31Å; D2402-H2405 PolarHBondContact O-N 3.3Å; D2402-K2406 VanDerWaalsContact CG-NZ 3.3Å; D2402-K2406 WeakPolarHBondContact O-CB 3.29Å; D2402-K2406 VanDerWaalsContact O-CD 3.27Å; D2402-K2406 WeakPolarHBondContact O-CD 3.46Å; D2402-K2406 VanDerWaalsContact O-CG 3.3Å; D2402-K2406 WeakPolarHBondContact O-CG 3.35Å; D2402-K2406 PolarHBondContact O-N 3.16Å; D2402-K2406 WeakPolarHBondContact OD1-CE 3.23Å; D2402-K2406 IonicContact OD1-NZ 3.17Å; D2402-K2406 PolarHBondContact OD1-NZ 3.18Å; D2402-K2406 WeakPolarHBondContact OD2-CE 3.39Å; D2402-K2406 IonicContact OD2-NZ 3.48Å; D2402-K2406 PolarHBondContact OD2-NZ 3.12Å |
| 2403 | L | 88.4 | Confident | 81.3 | Confident | 2.8 Ų | 2.8 | 41 Ų | 41 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.3 | -44.6 | 175.5 | 176.5 | 59.6 | 0 | 0 | 0 | 111.8 | I2338 I2342 L2346 M2379 F2399 L2400 M2401 H2405 K2406 I2407 F2432 L2436 | I2338-L2403 HydrophobicContact CG2-CD2 4.3Å; I2342-L2403 HydrophobicContact CD1-CD1 3.56Å; I2342-L2403 HydrophobicContact CD1-CD2 4.33Å; I2342-L2403 HydrophobicContact CD1-CG 4.3Å; I2342-L2403 HydrophobicContact CG1-CD1 3.64Å; L2346-L2403 HydrophobicContact CD1-CD1 4.37Å; M2379-L2403 HydrophobicContact CE-CD2 4.2Å; F2399-L2403 HydrophobicContact CE1-CD2 4.48Å; F2399-L2403 HydrophobicContact CE2-CB 4.34Å; F2399-L2403 HydrophobicContact CZ-CD2 4.17Å; F2399-L2403 VanDerWaalsContact O-CB 3.25Å; F2399-L2403 WeakPolarHBondContact O-CB 3.47Å; F2399-L2403 PolarHBondContact O-N 3.18Å; L2400-L2403 PolarHBondContact O-N 3.18Å; M2401-L2403 VanDerWaalsContact C-N 3.28Å; M2401-L2403 PolarHBondContact O-N 3.12Å; L2403-H2405 VanDerWaalsContact C-N 3.33Å; L2403-H2405 PolarHBondContact O-N 2.6Å; L2403-K2406 PolarHBondContact O-N 3.23Å; L2403-I2407 HydrophobicContact CD1-CD1 4Å; L2403-I2407 HydrophobicContact CD1-CG1 4.38Å; L2403-I2407 HydrophobicContact CG-CD1 4.04Å; L2403-I2407 WeakPolarHBondContact O-CD1 3.38Å; L2403-I2407 VanDerWaalsContact O-CG1 3.26Å; L2403-I2407 WeakPolarHBondContact O-CG1 3.33Å; L2403-I2407 PolarHBondContact O-N 3.34Å; L2403-F2432 HydrophobicContact CD2-CE1 4.28Å; L2403-F2432 HydrophobicContact CD2-CZ 4.1Å; L2403-L2436 HydrophobicContact CD2-CD1 4.3Å; L2403-L2436 HydrophobicContact CD2-CD2 4.05Å; L2403-L2436 HydrophobicContact CG-CD2 3.95Å |
| 2404 | L | 90.2 | Very high | 78.5 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 176.9 | -174.5 | 144.3 | 0 | 0 | 0 | 110.9 | L2400 M2401 K2406 I2407 C2408 L2433 L2436 I2437 V2440 L2475 D2478 L2479 F2482 | L2400-L2404 VanDerWaalsContact O-CB 3.27Å; L2400-L2404 WeakPolarHBondContact O-CB 3.35Å; L2400-L2404 PolarHBondContact O-N 3.23Å; M2401-L2404 WeakPolarHBondContact O-CB 3.44Å; M2401-L2404 PolarHBondContact O-N 3.16Å; M2401-L2404 VanDerWaalsContact O-N 3.15Å; L2404-K2406 PolarHBondContact O-N 3.49Å; L2404-I2407 PolarHBondContact O-N 3.28Å; L2404-C2408 WeakPolarHBondContact O-CB 3.4Å; L2404-C2408 PolarHBondContact O-N 3.21Å; L2404-L2433 HydrophobicContact CD1-CD2 4.03Å; L2404-L2436 HydrophobicContact CB-CD2 4.09Å; L2404-L2436 HydrophobicContact CB-CG 4.48Å; L2404-L2436 HydrophobicContact CD1-CD2 3.85Å; L2404-L2436 HydrophobicContact CD1-CG 4.06Å; L2404-I2437 HydrophobicContact CD1-CD1 4.38Å; L2404-I2437 HydrophobicContact CD1-CG1 3.92Å; L2404-V2440 HydrophobicContact CD1-CG2 4.41Å; L2404-L2475 HydrophobicContact CD1-CD1 3.72Å; L2404-L2475 HydrophobicContact CD2-CD1 3.62Å; L2404-L2475 HydrophobicContact CG-CD1 4.29Å; L2404-D2478 HydrophobicContact CD2-CB 3.52Å; L2404-L2479 HydrophobicContact CD1-CD2 4.34Å; L2404-L2479 HydrophobicContact CD2-CD2 4.31Å; L2404-F2482 HydrophobicContact CD1-CE2 4.27Å; L2404-F2482 HydrophobicContact CD1-CZ 4.24Å; L2404-F2482 HydrophobicContact CD2-CD2 4.39Å; L2404-F2482 HydrophobicContact CD2-CE2 3.61Å; L2404-F2482 VanDerWaalsContact CD2-CE2 3.48Å; L2404-F2482 HydrophobicContact CD2-CZ 4.3Å; L2404-F2482 HydrophobicContact CG-CE2 3.74Å; L2404-F2482 HydrophobicContact CG-CZ 4.36Å |
| 2405 | H | 89.5 | Confident | 75.7 | Confident | 41 Ų | 41 | 52.4 Ų | 52.4 | 19% | 0.19 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 176.8 | -176.7 | 58.9 | 0 | 0 | 0 | 112.1 | M2401 D2402 L2403 I2407 C2408 L2409 Q2474 D2478 | M2401-H2405 WeakPolarHBondContact O-CB 3.29Å; M2401-H2405 PolarHBondContact O-N 2.93Å; D2402-H2405 PolarHBondContact O-N 3.3Å; L2403-H2405 VanDerWaalsContact C-N 3.33Å; L2403-H2405 PolarHBondContact O-N 2.6Å; H2405-I2407 VanDerWaalsContact C-N 3.3Å; H2405-I2407 PolarHBondContact O-N 2.98Å; H2405-C2408 WeakPolarHBondContact O-CA 3.34Å; H2405-C2408 VanDerWaalsContact O-CB 3.23Å; H2405-C2408 WeakPolarHBondContact O-CB 3.39Å; H2405-C2408 PolarHBondContact O-N 3.21Å; H2405-C2408 VanDerWaalsContact O-N 3.08Å; H2405-L2409 WeakPolarHBondContact NE2-CD1 3.33Å; H2405-L2409 WeakPolarHBondContact O-CG 3.41Å; H2405-L2409 PolarHBondContact O-N 3.27Å; H2405-Q2474 PolarHBondContact CD2-NE2 3.03Å; H2405-Q2474 PolarHBondContact CE1-NE2 3.3Å; H2405-Q2474 VanDerWaalsContact CE1-NE2 3.32Å; H2405-Q2474 PolarHBondContact ND1-NE2 3.07Å; H2405-Q2474 PolarHBondContact NE2-NE2 3.19Å; H2405-D2478 VanDerWaalsContact CA-OD2 3.27Å; H2405-D2478 WeakPolarHBondContact CA-OD2 3.37Å; H2405-D2478 VanDerWaalsContact CB-OD2 3.23Å; H2405-D2478 WeakPolarHBondContact CB-OD2 3.19Å; H2405-D2478 IonicContact CE1-OD1 3.32Å; H2405-D2478 IonicContact CE1-OD2 2.64Å; H2405-D2478 IonicContact CG-OD1 2.69Å; H2405-D2478 IonicContact CG-OD2 3.27Å; H2405-D2478 VanDerWaalsContact ND1-CG 3.29Å; H2405-D2478 IonicContact ND1-OD1 3.06Å; H2405-D2478 PolarHBondContact ND1-OD1 3.23Å; H2405-D2478 IonicContact ND1-OD2 3.35Å; H2405-D2478 PolarHBondContact ND1-OD2 3.25Å |
| 2406 | K | 86 | Confident | 72.9 | Confident | 84 Ų | 84 | 54.3 Ų | 54.3 | 37% | 0.365 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.1 | -34.7 | 177.5 | -72.8 | 169 | -179 | 158.7 | 0 | 112.7 | L2346 D2402 L2403 L2404 C2408 L2409 S2410 | L2346-K2406 HydrophobicContact CD1-CB 4.47Å; L2346-K2406 HydrophobicContact CD1-CD 4.23Å; L2346-K2406 HydrophobicContact CD2-CB 3.79Å; L2346-K2406 VanDerWaalsContact CD2-CB 3.44Å; L2346-K2406 HydrophobicContact CD2-CD 3.82Å; L2346-K2406 HydrophobicContact CD2-CG 4.29Å; D2402-K2406 VanDerWaalsContact CG-NZ 3.3Å; D2402-K2406 WeakPolarHBondContact O-CB 3.29Å; D2402-K2406 VanDerWaalsContact O-CD 3.27Å; D2402-K2406 WeakPolarHBondContact O-CD 3.46Å; D2402-K2406 VanDerWaalsContact O-CG 3.3Å; D2402-K2406 WeakPolarHBondContact O-CG 3.35Å; D2402-K2406 PolarHBondContact O-N 3.16Å; D2402-K2406 WeakPolarHBondContact OD1-CE 3.23Å; D2402-K2406 IonicContact OD1-NZ 3.17Å; D2402-K2406 PolarHBondContact OD1-NZ 3.18Å; D2402-K2406 WeakPolarHBondContact OD2-CE 3.39Å; D2402-K2406 IonicContact OD2-NZ 3.48Å; D2402-K2406 PolarHBondContact OD2-NZ 3.12Å; L2403-K2406 PolarHBondContact O-N 3.23Å; L2404-K2406 PolarHBondContact O-N 3.49Å; K2406-C2408 VanDerWaalsContact C-N 3.34Å; K2406-L2409 PolarHBondContact O-N 3.13Å; K2406-S2410 WeakPolarHBondContact O-CB 3.45Å; K2406-S2410 PolarHBondContact O-N 3.15Å; K2406-S2410 VanDerWaalsContact O-N 3.13Å |
| 2407 | I | 84.5 | Confident | 70.1 | Confident | 22.6 Ų | 22.6 | 56.6 Ų | 56.6 | 12% | 0.116 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.6 | -41.4 | 172.1 | -66.8 | 163.7 | 0 | 0 | 0 | 110.4 | L2403 L2404 H2405 L2409 S2410 V2411 F2432 L2433 L2436 F2482 | L2403-I2407 HydrophobicContact CD1-CD1 4Å; L2403-I2407 HydrophobicContact CD1-CG1 4.38Å; L2403-I2407 HydrophobicContact CG-CD1 4.04Å; L2403-I2407 WeakPolarHBondContact O-CD1 3.38Å; L2403-I2407 VanDerWaalsContact O-CG1 3.26Å; L2403-I2407 WeakPolarHBondContact O-CG1 3.33Å; L2403-I2407 PolarHBondContact O-N 3.34Å; L2404-I2407 PolarHBondContact O-N 3.28Å; H2405-I2407 VanDerWaalsContact C-N 3.3Å; H2405-I2407 PolarHBondContact O-N 2.98Å; I2407-L2409 VanDerWaalsContact C-N 3.33Å; I2407-L2409 PolarHBondContact O-N 3.01Å; I2407-S2410 WeakPolarHBondContact CA-OG 3.3Å; I2407-S2410 PolarHBondContact O-N 3.2Å; I2407-S2410 VanDerWaalsContact O-N 3.13Å; I2407-S2410 PolarHBondContact O-OG 3.22Å; I2407-V2411 PolarHBondContact O-N 2.82Å; I2407-F2432 HydrophobicContact CD1-CD1 4.19Å; I2407-F2432 HydrophobicContact CD1-CE1 3.72Å; I2407-L2433 HydrophobicContact CB-CD2 4.38Å; I2407-L2433 HydrophobicContact CD1-CD2 4.3Å; I2407-L2433 HydrophobicContact CG2-CD1 4.28Å; I2407-L2433 HydrophobicContact CG2-CD2 3.97Å; I2407-L2433 HydrophobicContact CG2-CG 4.27Å; I2407-L2436 HydrophobicContact CD1-CD2 3.95Å; I2407-F2482 HydrophobicContact CG2-CE1 4.42Å; I2407-F2482 HydrophobicContact CG2-CZ 4.32Å |
| 2408 | C | 84.2 | Confident | 67.2 | Low | 2.2 Ų | 2.2 | 63.6 Ų | 63.6 | 2% | 0.015 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.6 | -45.8 | 175.3 | -166.7 | 0 | 0 | 0 | 0 | 111.9 | L2404 H2405 K2406 S2410 V2411 D2478 Q2481 F2482 | L2404-C2408 WeakPolarHBondContact O-CB 3.4Å; L2404-C2408 PolarHBondContact O-N 3.21Å; H2405-C2408 WeakPolarHBondContact O-CA 3.34Å; H2405-C2408 VanDerWaalsContact O-CB 3.23Å; H2405-C2408 WeakPolarHBondContact O-CB 3.39Å; H2405-C2408 PolarHBondContact O-N 3.21Å; H2405-C2408 VanDerWaalsContact O-N 3.08Å; K2406-C2408 VanDerWaalsContact C-N 3.34Å; C2408-S2410 VanDerWaalsContact C-N 3.32Å; C2408-S2410 PolarHBondContact O-N 3.04Å; C2408-V2411 PolarHBondContact O-N 3.26Å; C2408-D2478 HydrophobicContact CB-CB 4.19Å; C2408-D2478 VanDerWaalsContact CB-OD1 3.26Å; C2408-D2478 WeakPolarHBondContact CB-OD1 3.36Å; C2408-D2478 PolarHBondContact SG-OD1 3.1Å; C2408-D2478 VanDerWaalsContact SG-OD1 3.39Å; C2408-Q2481 PolarHBondContact O-NE2 2.98Å; C2408-Q2481 VanDerWaalsContact O-NE2 3.15Å; C2408-Q2481 VanDerWaalsContact SG-CD 3.59Å; C2408-Q2481 PolarHBondContact SG-NE2 3.18Å; C2408-Q2481 VanDerWaalsContact SG-NE2 3.41Å; C2408-Q2481 PolarHBondContact SG-OE1 3.48Å; C2408-F2482 HydrophobicContact CB-CE1 4.03Å; C2408-F2482 HydrophobicContact CB-CE2 4.36Å; C2408-F2482 HydrophobicContact CB-CZ 3.66Å |
| 2409 | L | 80.9 | Confident | 64.4 | Low | 118.8 Ų | 118.8 | 65.6 Ų | 65.6 | 62% | 0.622 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66 | -28.8 | 175.7 | -66.2 | 179.6 | 0 | 0 | 0 | 113.8 | H2405 K2406 I2407 V2411 | H2405-L2409 WeakPolarHBondContact NE2-CD1 3.33Å; H2405-L2409 WeakPolarHBondContact O-CG 3.41Å; H2405-L2409 PolarHBondContact O-N 3.27Å; K2406-L2409 PolarHBondContact O-N 3.13Å; I2407-L2409 VanDerWaalsContact C-N 3.33Å; I2407-L2409 PolarHBondContact O-N 3.01Å; L2409-V2411 VanDerWaalsContact C-N 3.31Å; L2409-V2411 PolarHBondContact O-N 3.04Å |
| 2410 | S | 69.3 | Low | 61.5 | Low | 71.2 Ų | 71.2 | 73.4 Ų | 73.4 | 50% | 0.498 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -76.1 | -10.5 | -179.1 | 75 | 0 | 0 | 0 | 0 | 114.3 | K2406 I2407 C2408 P2412 | K2406-S2410 WeakPolarHBondContact O-CB 3.45Å; K2406-S2410 PolarHBondContact O-N 3.15Å; K2406-S2410 VanDerWaalsContact O-N 3.13Å; I2407-S2410 WeakPolarHBondContact CA-OG 3.3Å; I2407-S2410 PolarHBondContact O-N 3.2Å; I2407-S2410 VanDerWaalsContact O-N 3.13Å; I2407-S2410 PolarHBondContact O-OG 3.22Å; C2408-S2410 VanDerWaalsContact C-N 3.32Å; C2408-S2410 PolarHBondContact O-N 3.04Å; S2410-P2412 WeakPolarHBondContact O-CD 3.39Å |
| 2411 | V | 60 | Low | 58.5 | Low | 26 Ų | 26 | 79 Ų | 79 | 16% | 0.158 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -75.7 | 117.5 | 176.9 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | I2407 C2408 L2409 G2413 | I2407-V2411 PolarHBondContact O-N 2.82Å; C2408-V2411 PolarHBondContact O-N 3.26Å; L2409-V2411 VanDerWaalsContact C-N 3.31Å; L2409-V2411 PolarHBondContact O-N 3.04Å; V2411-G2413 PolarHBondContact O-N 3.14Å; V2411-G2413 VanDerWaalsContact O-N 3.16Å |
| 2412 | P | 45.1 | Very low | 55.6 | Low | 109 Ų | 109 | 86.3 Ų | 86.3 | 71% | 0.708 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 128.1 | -178.4 | -22.7 | 32.9 | 0 | 0 | 0 | 111.5 | S2410 T2414 | S2410-P2412 WeakPolarHBondContact O-CD 3.39Å; P2412-T2414 PolarHBondContact O-N 3.32Å |
| 2413 | G | 38.4 | Very low | 53 | Low | 55.4 Ų | 55.4 | 90.3 Ų | 90.3 | 57% | 0.571 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 131.8 | 170 | 0 | 0 | 0 | 0 | 0 | 110.3 | V2411 L2415 | V2411-G2413 PolarHBondContact O-N 3.14Å; V2411-G2413 VanDerWaalsContact O-N 3.16Å; G2413-L2415 VanDerWaalsContact C-N 3.32Å; G2413-L2415 PolarHBondContact O-N 3.09Å |
| 2414 | T | 29.4 | Very low | 50.5 | Low | 132 Ų | 132 | 98 Ų | 98 | 81% | 0.81 | 57% | 0.569 | S | S | * | * | trans | -46.8 | 89.4 | 167.7 | 42.8 | 0 | 0 | 0 | 0 | 111.5 | P2412 T2416 | P2412-T2414 PolarHBondContact O-N 3.32Å; T2414-T2416 PolarHBondContact O-N 3.32Å | ||
| 2415 | L | 27.9 | Very low | 48 | Very low | 157.2 Ų | 157.2 | 102.8 Ų | 102.8 | 82% | 0.823 | 59% | 0.593 | S | S | * | * | trans | -89.7 | 110.9 | 159.5 | -74.1 | 173.6 | 0 | 0 | 0 | 108.5 | G2413 S2417 | G2413-L2415 VanDerWaalsContact C-N 3.32Å; G2413-L2415 PolarHBondContact O-N 3.09Å; L2415-S2417 PolarHBondContact O-N 3.13Å; L2415-S2417 VanDerWaalsContact O-N 3.1Å | ||
| 2416 | T | 29.2 | Very low | 46 | Very low | 130.8 Ų | 130.8 | 107.4 Ų | 107.4 | 80% | 0.802 | 61% | 0.612 | S | S | * | * | trans | -50.2 | 95.1 | 167.8 | 50.6 | 0 | 0 | 0 | 0 | 112.9 | T2414 | T2414-T2416 PolarHBondContact O-N 3.32Š| ||
| 2417 | S | 29.4 | Very low | 44.3 | Very low | 100.6 Ų | 100.6 | 107.9 Ų | 107.9 | 70% | 0.703 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 179.9 | 128.5 | 152.2 | 52.7 | 0 | 0 | 0 | 0 | 112.2 | L2415 G2419 | L2415-S2417 PolarHBondContact O-N 3.13Å; L2415-S2417 VanDerWaalsContact O-N 3.1Å; S2417-G2419 PolarHBondContact O-N 3.3Å; S2417-G2419 VanDerWaalsContact O-N 3.16Å |
| 2418 | T | 28.5 | Very low | 42.8 | Very low | 147.6 Ų | 147.6 | 108.8 Ų | 108.8 | 91% | 0.906 | 63% | 0.631 | S | S | * | * | trans | 0.9 | 105.3 | 160.7 | 51.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 2419 | G | 29.8 | Very low | 42.2 | Very low | 66.2 Ų | 66.2 | 111.6 Ų | 111.6 | 68% | 0.682 | 65% | 0.646 | S | S | * | * | trans | 175.2 | 101.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S2417 T2421 | S2417-G2419 PolarHBondContact O-N 3.3Å; S2417-G2419 VanDerWaalsContact O-N 3.16Å; G2419-T2421 PolarHBondContact O-N 3.07Å | ||
| 2420 | Q | 28.8 | Very low | 42.2 | Very low | 199.4 Ų | 199.4 | 107.6 Ų | 107.6 | 93% | 0.932 | 63% | 0.626 | S | S | * | * | trans | -66.3 | 101.2 | 179.3 | -67.1 | 171.7 | -15.7 | 0 | 0 | 111.4 | ||||
| 2421 | T | 29.7 | Very low | 42.9 | Very low | 118.4 Ų | 118.4 | 107.9 Ų | 107.9 | 73% | 0.726 | 62% | 0.62 | S | S | * | * | trans | -145.5 | 83.2 | 155 | 42.9 | 0 | 0 | 0 | 0 | 110.1 | G2419 N2423 | G2419-T2421 PolarHBondContact O-N 3.07Å; T2421-N2423 PolarHBondContact O-N 3.16Å | ||
| 2422 | E | 30.4 | Very low | 44.2 | Very low | 162.2 Ų | 162.2 | 107.3 Ų | 107.3 | 76% | 0.758 | 62% | 0.615 | S | S | * | * | trans | -71 | 80.2 | 171.3 | -66.2 | -167.6 | 151.6 | 0 | 0 | 110.9 | Q2424 K2426 | E2422-Q2424 PolarHBondContact O-N 3.25Å; E2422-K2426 WeakPolarHBondContact OE1-CE 3.33Å; E2422-K2426 IonicContact OE1-NZ 2.84Å; E2422-K2426 PolarHBondContact OE1-NZ 3.06Å; E2422-K2426 IonicContact OE2-NZ 2.69Å; E2422-K2426 PolarHBondContact OE2-NZ 3Å | ||
| 2423 | N | 32.8 | Very low | 46.3 | Very low | 148 Ų | 148 | 102.3 Ų | 102.3 | 79% | 0.791 | 58% | 0.582 | S | S | * | * | trans | -89.4 | 63.6 | 164.5 | -90 | -32.9 | 0 | 0 | 0 | 110.8 | T2421 M2425 | T2421-N2423 PolarHBondContact O-N 3.16Å; N2423-M2425 PolarHBondContact O-N 2.98Å; N2423-M2425 VanDerWaalsContact O-N 3.09Å | ||
| 2424 | Q | 35.4 | Very low | 48.8 | Very low | 164.8 Ų | 164.8 | 102.6 Ų | 102.6 | 77% | 0.77 | 57% | 0.566 | S | S | * | * | trans | -65.1 | 100 | 174.1 | -64.7 | -175.2 | 10.2 | 0 | 0 | 110.7 | E2422 K2426 P2427 | E2422-Q2424 PolarHBondContact O-N 3.25Å; Q2424-K2426 PolarHBondContact O-N 3.2Å; Q2424-K2426 VanDerWaalsContact O-N 3.13Å; Q2424-P2427 WeakPolarHBondContact O-CD 3.38Å | ||
| 2425 | M | 38.9 | Very low | 51.6 | Low | 101 Ų | 101 | 96.9 Ų | 96.9 | 50% | 0.498 | 53% | 0.531 | S | S | . | . | trans | -63.1 | 106.9 | 179.5 | -128.7 | 174.1 | 123.4 | 0 | 0 | 110.2 | N2423 N2429 | N2423-M2425 PolarHBondContact O-N 2.98Å; N2423-M2425 VanDerWaalsContact O-N 3.09Å; M2425-N2429 HydrophobicContact CE-CB 4.35Å | ||
| 2426 | K | 47.4 | Very low | 54.7 | Low | 137 Ų | 137 | 89.4 Ų | 89.4 | 60% | 0.596 | 49% | 0.492 | S | S | * | . | trans | -57.9 | 139.4 | -174.9 | -73.8 | 178.8 | 177.9 | 174.6 | 0 | 112.3 | E2422 Q2424 T2428 N2429 T2430 | E2422-K2426 WeakPolarHBondContact OE1-CE 3.33Å; E2422-K2426 IonicContact OE1-NZ 2.84Å; E2422-K2426 PolarHBondContact OE1-NZ 3.06Å; E2422-K2426 IonicContact OE2-NZ 2.69Å; E2422-K2426 PolarHBondContact OE2-NZ 3Å; Q2424-K2426 PolarHBondContact O-N 3.2Å; Q2424-K2426 VanDerWaalsContact O-N 3.13Å; K2426-T2428 PolarHBondContact O-N 3.23Å; K2426-N2429 PolarHBondContact O-N 3.23Å; K2426-N2429 VanDerWaalsContact O-N 3.12Å; K2426-T2430 PolarHBondContact O-OG1 2.9Å | ||
| 2427 | P | 50 | Low | 57.8 | Low | 94.8 Ų | 94.8 | 83.2 Ų | 83.2 | 62% | 0.616 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63 | -15.7 | -171.9 | 23.9 | -34.8 | 0 | 0 | 0 | 115.1 | Q2424 N2429 T2430 Q2431 | Q2424-P2427 WeakPolarHBondContact O-CD 3.38Å; P2427-N2429 VanDerWaalsContact C-N 3.3Å; P2427-N2429 PolarHBondContact O-N 3.13Å; P2427-T2430 PolarHBondContact O-N 2.98Å; P2427-T2430 PolarHBondContact O-OG1 3.15Å; P2427-Q2431 WeakPolarHBondContact O-CG 3.46Å; P2427-Q2431 PolarHBondContact O-N 3.4Å |
| 2428 | T | 53.9 | Low | 60.8 | Low | 42.6 Ų | 42.6 | 79.2 Ų | 79.2 | 26% | 0.261 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -70 | -31.1 | 179.1 | 50.5 | 0 | 0 | 0 | 0 | 113.2 | L2372 S2373 K2426 F2432 | L2372-T2428 HydrophobicContact CB-CG2 4.29Å; S2373-T2428 WeakPolarHBondContact OG-CG2 3.33Å; K2426-T2428 PolarHBondContact O-N 3.23Å; T2428-F2432 PolarHBondContact O-N 3.05Å; T2428-F2432 VanDerWaalsContact O-N 3.16Å |
| 2429 | N | 70.7 | Confident | 63.9 | Low | 60.8 Ų | 60.8 | 72.2 Ų | 72.2 | 33% | 0.325 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -72.7 | -35.8 | 179 | -88.1 | 4.2 | 0 | 0 | 0 | 111.6 | L2372 M2425 K2426 P2427 Q2431 F2432 L2433 | L2372-N2429 WeakPolarHBondContact CB-OD1 3.45Å; L2372-N2429 VanDerWaalsContact CD1-OD1 3.28Å; L2372-N2429 WeakPolarHBondContact CD1-OD1 3.26Å; M2425-N2429 HydrophobicContact CE-CB 4.35Å; K2426-N2429 PolarHBondContact O-N 3.23Å; K2426-N2429 VanDerWaalsContact O-N 3.12Å; P2427-N2429 VanDerWaalsContact C-N 3.3Å; P2427-N2429 PolarHBondContact O-N 3.13Å; N2429-Q2431 VanDerWaalsContact C-N 3.32Å; N2429-Q2431 PolarHBondContact O-N 3.16Å; N2429-F2432 PolarHBondContact O-N 3.1Å; N2429-F2432 VanDerWaalsContact O-N 3.15Å; N2429-L2433 WeakPolarHBondContact O-CB 3.3Å; N2429-L2433 PolarHBondContact O-N 3.31Å; N2429-L2433 VanDerWaalsContact O-N 3.1Å |
| 2430 | T | 81.8 | Confident | 67 | Low | 34 Ų | 34 | 69 Ų | 69 | 21% | 0.209 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62 | -40.8 | 177.7 | -8.7 | 0 | 0 | 0 | 0 | 111.8 | K2426 P2427 L2433 Y2434 L2489 V2490 | K2426-T2430 PolarHBondContact O-OG1 2.9Å; P2427-T2430 PolarHBondContact O-N 2.98Å; P2427-T2430 PolarHBondContact O-OG1 3.15Å; T2430-L2433 PolarHBondContact O-N 3.19Å; T2430-Y2434 WeakPolarHBondContact O-CB 3.33Å; T2430-Y2434 PolarHBondContact O-N 3.16Å; T2430-L2489 HydrophobicContact CG2-CB 4.38Å; T2430-L2489 HydrophobicContact CG2-CD2 4.5Å; T2430-V2490 HydrophobicContact CG2-CG2 3.86Å; T2430-V2490 WeakPolarHBondContact O-CG2 3.42Å |
| 2431 | Q | 84 | Confident | 70.1 | Confident | 78.2 Ų | 78.2 | 61.1 Ų | 61.1 | 37% | 0.365 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -73.3 | -31.3 | 178.9 | -66.7 | -83.7 | -11 | 0 | 0 | 113.1 | H2376 P2427 N2429 H2435 L2489 | H2376-Q2431 PolarHBondContact CD2-OE1 3.16Å; H2376-Q2431 VanDerWaalsContact CE1-CB 3.45Å; H2376-Q2431 WeakPolarHBondContact CE1-CB 3.34Å; H2376-Q2431 VanDerWaalsContact ND1-CB 3.31Å; H2376-Q2431 WeakPolarHBondContact ND1-CB 3.37Å; H2376-Q2431 PolarHBondContact ND1-O 3.24Å; H2376-Q2431 VanDerWaalsContact ND1-O 3.12Å; H2376-Q2431 PolarHBondContact NE2-OE1 2.84Å; P2427-Q2431 WeakPolarHBondContact O-CG 3.46Å; P2427-Q2431 PolarHBondContact O-N 3.4Å; N2429-Q2431 VanDerWaalsContact C-N 3.32Å; N2429-Q2431 PolarHBondContact O-N 3.16Å; Q2431-H2435 PolarHBondContact O-CD2 3.12Å; Q2431-H2435 VanDerWaalsContact O-CD2 3.27Å; Q2431-H2435 PolarHBondContact O-N 3.22Å; Q2431-L2489 HydrophobicContact CG-CD2 4.49Å |
| 2432 | F | 86.9 | Confident | 72.9 | Confident | 13.2 Ų | 13.2 | 56.7 Ų | 56.7 | 6% | 0.058 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.9 | -47.1 | 170.7 | 178.5 | -89.7 | 0 | 0 | 0 | 111.1 | I2338 I2342 M2375 M2379 L2403 I2407 T2428 N2429 Y2434 H2435 L2436 | I2338-F2432 HydrophobicContact CG2-CZ 4.5Å; I2342-F2432 HydrophobicContact CD1-CE1 4.29Å; I2342-F2432 HydrophobicContact CD1-CZ 4.01Å; M2375-F2432 HydrophobicContact CB-CD2 4.08Å; M2375-F2432 HydrophobicContact CB-CE2 4.17Å; M2375-F2432 HydrophobicContact CE-CE2 4.15Å; M2375-F2432 HydrophobicContact CE-CZ 4.38Å; M2375-F2432 WeakPolarHBondContact O-CD2 3.34Å; M2379-F2432 HydrophobicContact CB-CD2 3.69Å; M2379-F2432 HydrophobicContact CB-CE2 3.7Å; M2379-F2432 HydrophobicContact CB-CZ 4.48Å; M2379-F2432 HydrophobicContact CE-CD2 4.5Å; M2379-F2432 HydrophobicContact CE-CE1 4.05Å; M2379-F2432 HydrophobicContact CE-CE2 3.62Å; M2379-F2432 HydrophobicContact CE-CZ 3.33Å; M2379-F2432 HydrophobicContact CG-CD2 4.24Å; M2379-F2432 HydrophobicContact CG-CE2 4.16Å; L2403-F2432 HydrophobicContact CD2-CE1 4.28Å; L2403-F2432 HydrophobicContact CD2-CZ 4.1Å; I2407-F2432 HydrophobicContact CD1-CD1 4.19Å; I2407-F2432 HydrophobicContact CD1-CE1 3.72Å; T2428-F2432 PolarHBondContact O-N 3.05Å; T2428-F2432 VanDerWaalsContact O-N 3.16Å; N2429-F2432 PolarHBondContact O-N 3.1Å; N2429-F2432 VanDerWaalsContact O-N 3.15Å; F2432-Y2434 PolarHBondContact O-N 2.94Å; F2432-H2435 PolarHBondContact O-N 3.2Å; F2432-L2436 HydrophobicContact CE1-CD2 4.13Å; F2432-L2436 WeakPolarHBondContact O-CB 3.36Å; F2432-L2436 PolarHBondContact O-N 3.03Å |
| 2433 | L | 88.7 | Confident | 75.8 | Confident | 3.2 Ų | 3.2 | 49 Ų | 49 | 2% | 0.017 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 179.6 | -141.9 | 97.3 | 0 | 0 | 0 | 112.1 | L2404 I2407 N2429 T2430 H2435 L2436 I2437 F2482 Q2486 V2490 | L2404-L2433 HydrophobicContact CD1-CD2 4.03Å; I2407-L2433 HydrophobicContact CB-CD2 4.38Å; I2407-L2433 HydrophobicContact CD1-CD2 4.3Å; I2407-L2433 HydrophobicContact CG2-CD1 4.28Å; I2407-L2433 HydrophobicContact CG2-CD2 3.97Å; I2407-L2433 HydrophobicContact CG2-CG 4.27Å; N2429-L2433 WeakPolarHBondContact O-CB 3.3Å; N2429-L2433 PolarHBondContact O-N 3.31Å; N2429-L2433 VanDerWaalsContact O-N 3.1Å; T2430-L2433 PolarHBondContact O-N 3.19Å; L2433-H2435 PolarHBondContact O-N 3.37Å; L2433-L2436 PolarHBondContact O-N 3.15Å; L2433-I2437 HydrophobicContact CD1-CD1 3.98Å; L2433-I2437 HydrophobicContact CD1-CG1 4.11Å; L2433-I2437 HydrophobicContact CG-CD1 3.84Å; L2433-I2437 HydrophobicContact CG-CG1 4.41Å; L2433-I2437 WeakPolarHBondContact O-CB 3.5Å; L2433-I2437 VanDerWaalsContact O-CG1 3.3Å; L2433-I2437 WeakPolarHBondContact O-CG1 3.41Å; L2433-I2437 PolarHBondContact O-N 3.22Å; L2433-F2482 HydrophobicContact CD1-CD2 4.49Å; L2433-F2482 HydrophobicContact CD1-CE1 4.48Å; L2433-F2482 HydrophobicContact CD1-CE2 3.91Å; L2433-F2482 HydrophobicContact CD1-CZ 3.88Å; L2433-F2482 HydrophobicContact CD2-CD1 3.97Å; L2433-F2482 HydrophobicContact CD2-CD2 4.46Å; L2433-F2482 HydrophobicContact CD2-CE1 4.04Å; L2433-F2482 HydrophobicContact CD2-CE2 4.4Å; L2433-F2482 HydrophobicContact CD2-CG 4.33Å; L2433-F2482 HydrophobicContact CD2-CZ 4.07Å; L2433-Q2486 HydrophobicContact CD2-CG 4.4Å; L2433-V2490 HydrophobicContact CB-CG1 4.45Å; L2433-V2490 HydrophobicContact CB-CG2 4.14Å; L2433-V2490 HydrophobicContact CD2-CG1 3.67Å; L2433-V2490 HydrophobicContact CD2-CG2 4.06Å; L2433-V2490 HydrophobicContact CG-CG1 4.06Å; L2433-V2490 HydrophobicContact CG-CG2 4.21Å |
| 2434 | Y | 90.1 | Very high | 78.5 | Confident | 61.8 Ų | 61.8 | 42 Ų | 42 | 24% | 0.242 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -52.2 | -52.1 | 173.6 | 166.2 | -106.6 | 0 | 0 | 0 | 112.4 | T2430 F2432 L2436 I2437 N2438 L2489 | T2430-Y2434 WeakPolarHBondContact O-CB 3.33Å; T2430-Y2434 PolarHBondContact O-N 3.16Å; F2432-Y2434 PolarHBondContact O-N 2.94Å; Y2434-L2436 PolarHBondContact O-N 3.4Å; Y2434-I2437 PolarHBondContact O-N 3.07Å; Y2434-N2438 VanDerWaalsContact CE2-ND2 3.33Å; Y2434-N2438 WeakPolarHBondContact CE2-ND2 3.43Å; Y2434-N2438 VanDerWaalsContact CZ-ND2 3.31Å; Y2434-N2438 VanDerWaalsContact O-CG 3.25Å; Y2434-N2438 PolarHBondContact O-N 2.99Å; Y2434-N2438 VanDerWaalsContact O-N 3.09Å; Y2434-N2438 PolarHBondContact O-ND2 3Å; Y2434-N2438 VanDerWaalsContact O-ND2 3.16Å; Y2434-N2438 PolarHBondContact O-OD1 3.28Å; Y2434-N2438 VanDerWaalsContact O-OD1 3.1Å; Y2434-N2438 PolarHBondContact OH-ND2 3Å; Y2434-L2489 HydrophobicContact CD1-CD1 4.43Å; Y2434-L2489 HydrophobicContact CD1-CD2 4.37Å; Y2434-L2489 HydrophobicContact CD1-CG 4.46Å; Y2434-L2489 HydrophobicContact CD2-CD1 3.71Å; Y2434-L2489 HydrophobicContact CD2-CD2 4.25Å; Y2434-L2489 HydrophobicContact CD2-CG 3.75Å; Y2434-L2489 HydrophobicContact CE1-CD1 4.5Å; Y2434-L2489 HydrophobicContact CE2-CD1 3.84Å; Y2434-L2489 HydrophobicContact CE2-CG 4.39Å; Y2434-L2489 HydrophobicContact CG-CD1 4.11Å; Y2434-L2489 HydrophobicContact CG-CD2 3.89Å; Y2434-L2489 HydrophobicContact CG-CG 3.9Å |
| 2435 | H | 90 | Very high | 81 | Confident | 13.8 Ų | 13.8 | 37 Ų | 37 | 6% | 0.064 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68 | -36.5 | 178.9 | -70.1 | -47.1 | 0 | 0 | 0 | 113.1 | H2376 M2379 A2380 H2383 Q2431 F2432 L2433 N2438 V2439 | H2376-H2435 AromaticContact CE1-CD2 3.31Å; H2376-H2435 PolarHBondContact CE1-CD2 3.25Å; H2376-H2435 AromaticContact CE1-NE2 3.19Å; H2376-H2435 PolarHBondContact CE1-NE2 3.31Å; H2376-H2435 AromaticContact ND1-CD2 3.43Å; H2376-H2435 PolarHBondContact ND1-CD2 3.19Å; H2376-H2435 VanDerWaalsContact ND1-CD2 3.32Å; H2376-H2435 AromaticContact ND1-NE2 3.83Å; H2376-H2435 AromaticContact NE2-NE2 3.93Å; M2379-H2435 HydrophobicContact CB-CB 4.19Å; M2379-H2435 HydrophobicContact CG-CB 3.58Å; A2380-H2435 VanDerWaalsContact CA-CD2 3.41Å; A2380-H2435 WeakPolarHBondContact CA-CD2 3.46Å; A2380-H2435 VanDerWaalsContact CB-CD2 3.43Å; A2380-H2435 WeakPolarHBondContact CB-CD2 3.46Å; A2380-H2435 VanDerWaalsContact CB-NE2 3.28Å; A2380-H2435 WeakPolarHBondContact CB-NE2 3.28Å; H2383-H2435 HydrophobicContact CB-CB 4.09Å; H2383-H2435 AromaticContact CE1-ND1 3.94Å; H2383-H2435 AromaticContact CG-ND1 3.75Å; H2383-H2435 AromaticContact ND1-CE1 3.76Å; H2383-H2435 AromaticContact ND1-ND1 3.1Å; H2383-H2435 PolarHBondContact ND1-ND1 2.98Å; H2383-H2435 VanDerWaalsContact ND1-ND1 3.19Å; Q2431-H2435 PolarHBondContact O-CD2 3.12Å; Q2431-H2435 VanDerWaalsContact O-CD2 3.27Å; Q2431-H2435 PolarHBondContact O-N 3.22Å; F2432-H2435 PolarHBondContact O-N 3.2Å; L2433-H2435 PolarHBondContact O-N 3.37Å; H2435-N2438 PolarHBondContact O-N 3.3Å; H2435-V2439 VanDerWaalsContact O-CG2 3.24Å; H2435-V2439 WeakPolarHBondContact O-CG2 3.36Å; H2435-V2439 PolarHBondContact O-N 3.13Å |
| 2436 | L | 92.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.1 | -46.4 | 176.2 | 176.1 | 58.9 | 0 | 0 | 0 | 111.4 | M2379 L2400 L2403 L2404 I2407 F2432 L2433 Y2434 N2438 V2439 V2440 | M2379-L2436 HydrophobicContact CE-CB 4.17Å; M2379-L2436 HydrophobicContact CE-CD1 3.83Å; M2379-L2436 HydrophobicContact CE-CG 4.46Å; M2379-L2436 HydrophobicContact CG-CB 4.21Å; M2379-L2436 HydrophobicContact SD-CB 4.13Å; M2379-L2436 HydrophobicContact SD-CD1 4.15Å; L2400-L2436 HydrophobicContact CB-CD1 4.02Å; L2400-L2436 HydrophobicContact CD2-CD1 3.79Å; L2400-L2436 HydrophobicContact CG-CD1 4.46Å; L2403-L2436 HydrophobicContact CD2-CD1 4.3Å; L2403-L2436 HydrophobicContact CD2-CD2 4.05Å; L2403-L2436 HydrophobicContact CG-CD2 3.95Å; L2404-L2436 HydrophobicContact CB-CD2 4.09Å; L2404-L2436 HydrophobicContact CB-CG 4.48Å; L2404-L2436 HydrophobicContact CD1-CD2 3.85Å; L2404-L2436 HydrophobicContact CD1-CG 4.06Å; I2407-L2436 HydrophobicContact CD1-CD2 3.95Å; F2432-L2436 HydrophobicContact CE1-CD2 4.13Å; F2432-L2436 WeakPolarHBondContact O-CB 3.36Å; F2432-L2436 PolarHBondContact O-N 3.03Å; L2433-L2436 PolarHBondContact O-N 3.15Å; Y2434-L2436 PolarHBondContact O-N 3.4Å; L2436-N2438 PolarHBondContact O-N 3.31Å; L2436-V2439 PolarHBondContact O-N 3.08Å; L2436-V2440 WeakPolarHBondContact O-CG2 3.4Å; L2436-V2440 PolarHBondContact O-N 3.14Å; L2436-V2440 VanDerWaalsContact O-N 3.09Å |
| 2437 | I | 94.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62 | -45.4 | 178.2 | -68.4 | 167.4 | 0 | 0 | 0 | 110.4 | L2404 L2433 Y2434 V2439 V2440 E2441 L2479 F2482 V2490 S2493 A2494 C2497 | L2404-I2437 HydrophobicContact CD1-CD1 4.38Å; L2404-I2437 HydrophobicContact CD1-CG1 3.92Å; L2433-I2437 HydrophobicContact CD1-CD1 3.98Å; L2433-I2437 HydrophobicContact CD1-CG1 4.11Å; L2433-I2437 HydrophobicContact CG-CD1 3.84Å; L2433-I2437 HydrophobicContact CG-CG1 4.41Å; L2433-I2437 WeakPolarHBondContact O-CB 3.5Å; L2433-I2437 VanDerWaalsContact O-CG1 3.3Å; L2433-I2437 WeakPolarHBondContact O-CG1 3.41Å; L2433-I2437 PolarHBondContact O-N 3.22Å; Y2434-I2437 PolarHBondContact O-N 3.07Å; I2437-V2439 VanDerWaalsContact C-N 3.34Å; I2437-V2439 PolarHBondContact O-N 3.18Å; I2437-V2440 CarbonylContact O-C 3.54Å; I2437-V2440 WeakPolarHBondContact O-CA 3.28Å; I2437-V2440 WeakPolarHBondContact O-CB 3.39Å; I2437-V2440 PolarHBondContact O-N 3.11Å; I2437-V2440 VanDerWaalsContact O-N 3.14Å; I2437-E2441 PolarHBondContact O-N 3.14Å; I2437-L2479 HydrophobicContact CD1-CD2 4.41Å; I2437-L2479 HydrophobicContact CG1-CD2 4.29Å; I2437-L2479 HydrophobicContact CG2-CD2 4.2Å; I2437-F2482 HydrophobicContact CD1-CD2 4.29Å; I2437-V2490 HydrophobicContact CD1-CG1 3.81Å; I2437-S2493 VanDerWaalsContact CG2-O 3.3Å; I2437-S2493 WeakPolarHBondContact CG2-O 3.37Å; I2437-A2494 HydrophobicContact CD1-CB 4.32Å; I2437-C2497 HydrophobicContact CG2-CB 3.57Å |
| 2438 | N | 92.6 | Very high | 86.5 | Confident | 16.2 Ų | 16.2 | 23.2 Ų | 23.2 | 9% | 0.087 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.2 | -33.8 | 178.9 | -63.9 | -6.1 | 0 | 0 | 0 | 112.8 | H2383 Y2434 H2435 L2436 V2440 E2441 I2442 S2493 | H2383-N2438 WeakPolarHBondContact CD2-CB 3.14Å; H2383-N2438 PolarHBondContact CE1-ND2 2.98Å; H2383-N2438 VanDerWaalsContact NE2-CB 3.27Å; H2383-N2438 WeakPolarHBondContact NE2-CB 3.29Å; H2383-N2438 PolarHBondContact NE2-ND2 3.12Å; Y2434-N2438 VanDerWaalsContact CE2-ND2 3.33Å; Y2434-N2438 WeakPolarHBondContact CE2-ND2 3.43Å; Y2434-N2438 VanDerWaalsContact CZ-ND2 3.31Å; Y2434-N2438 VanDerWaalsContact O-CG 3.25Å; Y2434-N2438 PolarHBondContact O-N 2.99Å; Y2434-N2438 VanDerWaalsContact O-N 3.09Å; Y2434-N2438 PolarHBondContact O-ND2 3Å; Y2434-N2438 VanDerWaalsContact O-ND2 3.16Å; Y2434-N2438 PolarHBondContact O-OD1 3.28Å; Y2434-N2438 VanDerWaalsContact O-OD1 3.1Å; Y2434-N2438 PolarHBondContact OH-ND2 3Å; H2435-N2438 PolarHBondContact O-N 3.3Å; L2436-N2438 PolarHBondContact O-N 3.31Å; N2438-V2440 VanDerWaalsContact C-N 3.32Å; N2438-V2440 PolarHBondContact O-N 3.46Å; N2438-E2441 PolarHBondContact O-N 3.08Å; N2438-I2442 WeakPolarHBondContact O-CB 3.42Å; N2438-I2442 WeakPolarHBondContact O-CD1 3.29Å; N2438-I2442 VanDerWaalsContact O-CG1 3.23Å; N2438-I2442 WeakPolarHBondContact O-CG1 3.34Å; N2438-I2442 PolarHBondContact O-N 3.09Å; N2438-S2493 VanDerWaalsContact OD1-CB 3.29Å; N2438-S2493 WeakPolarHBondContact OD1-CB 3.28Å |
| 2439 | V | 93.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.9 | -43.7 | 172 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | M2379 L2382 H2383 V2393 L2400 H2435 L2436 I2437 I2442 V2443 | M2379-V2439 HydrophobicContact SD-CG2 4.44Å; L2382-V2439 HydrophobicContact CB-CG2 4.47Å; L2382-V2439 HydrophobicContact CD2-CG1 4.27Å; L2382-V2439 HydrophobicContact CD2-CG2 4.43Å; L2382-V2439 HydrophobicContact CG-CG1 4.3Å; L2382-V2439 HydrophobicContact CG-CG2 4.1Å; H2383-V2439 VanDerWaalsContact CA-CG2 3.43Å; H2383-V2439 HydrophobicContact CB-CG2 3.77Å; V2393-V2439 HydrophobicContact CG1-CG1 3.97Å; L2400-V2439 HydrophobicContact CD1-CG1 3.56Å; H2435-V2439 VanDerWaalsContact O-CG2 3.24Å; H2435-V2439 WeakPolarHBondContact O-CG2 3.36Å; H2435-V2439 PolarHBondContact O-N 3.13Å; L2436-V2439 PolarHBondContact O-N 3.08Å; I2437-V2439 VanDerWaalsContact C-N 3.34Å; I2437-V2439 PolarHBondContact O-N 3.18Å; V2439-I2442 PolarHBondContact O-N 3.38Å; V2439-V2443 WeakPolarHBondContact O-CG2 3.39Å; V2439-V2443 PolarHBondContact O-N 3.26Å; V2439-V2443 VanDerWaalsContact O-N 3.11Å |
| 2440 | V | 94 | Very high | 87.7 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.9 | -46.5 | 176.5 | 172.4 | 0 | 0 | 0 | 0 | 110.2 | I2397 L2400 M2401 L2404 L2436 I2437 N2438 I2442 V2443 L2444 L2475 | I2397-V2440 HydrophobicContact CD1-CB 4.36Å; I2397-V2440 HydrophobicContact CD1-CG1 4.19Å; I2397-V2440 HydrophobicContact CD1-CG2 4.12Å; L2400-V2440 HydrophobicContact CB-CG2 4.08Å; M2401-V2440 HydrophobicContact CG-CG1 4.41Å; L2404-V2440 HydrophobicContact CD1-CG2 4.41Å; L2436-V2440 WeakPolarHBondContact O-CG2 3.4Å; L2436-V2440 PolarHBondContact O-N 3.14Å; L2436-V2440 VanDerWaalsContact O-N 3.09Å; I2437-V2440 CarbonylContact O-C 3.54Å; I2437-V2440 WeakPolarHBondContact O-CA 3.28Å; I2437-V2440 WeakPolarHBondContact O-CB 3.39Å; I2437-V2440 PolarHBondContact O-N 3.11Å; I2437-V2440 VanDerWaalsContact O-N 3.14Å; N2438-V2440 VanDerWaalsContact C-N 3.32Å; N2438-V2440 PolarHBondContact O-N 3.46Å; V2440-I2442 PolarHBondContact O-N 3.15Å; V2440-V2443 PolarHBondContact O-N 3.25Å; V2440-L2444 HydrophobicContact CG1-CD1 3.84Å; V2440-L2444 HydrophobicContact CG1-CG 4.14Å; V2440-L2444 WeakPolarHBondContact O-CB 3.41Å; V2440-L2444 VanDerWaalsContact O-CG 3.27Å; V2440-L2444 WeakPolarHBondContact O-CG 3.33Å; V2440-L2444 PolarHBondContact O-N 3.09Å; V2440-L2475 HydrophobicContact CG1-CD1 4.44Å; V2440-L2475 HydrophobicContact CG1-CD2 3.77Å |
| 2441 | E | 93.8 | Very high | 87.3 | Confident | 32.2 Ų | 32.2 | 23.5 Ų | 23.5 | 15% | 0.15 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.1 | -47.1 | 176.1 | -177.5 | 175.7 | 178.7 | 0 | 0 | 112.6 | I2437 N2438 V2443 L2444 T2445 S2496 C2497 V2500 | I2437-E2441 PolarHBondContact O-N 3.14Å; N2438-E2441 PolarHBondContact O-N 3.08Å; E2441-V2443 VanDerWaalsContact C-N 3.33Å; E2441-V2443 PolarHBondContact O-N 3.16Å; E2441-L2444 PolarHBondContact O-N 3.07Å; E2441-L2444 VanDerWaalsContact O-N 3.14Å; E2441-T2445 WeakPolarHBondContact O-CB 3.38Å; E2441-T2445 PolarHBondContact O-N 3.18Å; E2441-T2445 PolarHBondContact O-OG1 3.23Å; E2441-S2496 VanDerWaalsContact OE1-CB 3.31Å; E2441-S2496 WeakPolarHBondContact OE1-CB 3.3Å; E2441-S2496 PolarHBondContact OE1-OG 3.21Å; E2441-S2496 WeakPolarHBondContact OE2-CB 3.41Å; E2441-C2497 HydrophobicContact CB-CB 3.88Å; E2441-C2497 HydrophobicContact CG-CB 4.29Å; E2441-C2497 PolarHBondContact OE2-N 3.13Å; E2441-V2500 HydrophobicContact CG-CG2 4.01Å |
| 2442 | I | 90.1 | Very high | 86.4 | Confident | 27.8 Ų | 27.8 | 25.2 Ų | 25.2 | 14% | 0.143 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.5 | -44.6 | 177.9 | -73.3 | 163.7 | 0 | 0 | 0 | 111.1 | S2386 Y2387 P2390 N2438 V2439 V2440 T2445 E2446 | S2386-I2442 WeakPolarHBondContact O-CG2 3.36Å; Y2387-I2442 HydrophobicContact CD2-CD1 4.09Å; Y2387-I2442 HydrophobicContact CD2-CG1 4.42Å; P2390-I2442 HydrophobicContact CB-CG2 3.83Å; N2438-I2442 WeakPolarHBondContact O-CB 3.42Å; N2438-I2442 WeakPolarHBondContact O-CD1 3.29Å; N2438-I2442 VanDerWaalsContact O-CG1 3.23Å; N2438-I2442 WeakPolarHBondContact O-CG1 3.34Å; N2438-I2442 PolarHBondContact O-N 3.09Å; V2439-I2442 PolarHBondContact O-N 3.38Å; V2440-I2442 PolarHBondContact O-N 3.15Å; I2442-T2445 PolarHBondContact O-N 3.3Å; I2442-E2446 PolarHBondContact O-N 3.15Å; I2442-E2446 VanDerWaalsContact O-N 3.14Å |
| 2443 | V | 90.5 | Very high | 84.9 | Confident | 0.6 Ų | 0.6 | 32.6 Ų | 32.6 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.4 | -36.4 | 179.1 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | V2393 R2394 I2397 V2439 V2440 E2441 T2445 E2446 I2447 | V2393-V2443 HydrophobicContact CB-CG2 3.92Å; V2393-V2443 HydrophobicContact CG1-CG2 3.86Å; R2394-V2443 HydrophobicContact CB-CG1 4.28Å; I2397-V2443 HydrophobicContact CB-CG1 4.04Å; I2397-V2443 HydrophobicContact CD1-CB 3.9Å; I2397-V2443 HydrophobicContact CD1-CG1 3.8Å; I2397-V2443 HydrophobicContact CD1-CG2 4.49Å; I2397-V2443 HydrophobicContact CG1-CB 4.49Å; I2397-V2443 HydrophobicContact CG1-CG1 3.89Å; V2439-V2443 WeakPolarHBondContact O-CG2 3.39Å; V2439-V2443 PolarHBondContact O-N 3.26Å; V2439-V2443 VanDerWaalsContact O-N 3.11Å; V2440-V2443 PolarHBondContact O-N 3.25Å; E2441-V2443 VanDerWaalsContact C-N 3.33Å; E2441-V2443 PolarHBondContact O-N 3.16Å; V2443-T2445 VanDerWaalsContact C-N 3.33Å; V2443-E2446 PolarHBondContact O-N 3.11Å; V2443-I2447 HydrophobicContact CG1-CD1 4.03Å; V2443-I2447 VanDerWaalsContact O-CG1 3.29Å; V2443-I2447 WeakPolarHBondContact O-CG1 3.37Å; V2443-I2447 PolarHBondContact O-N 3.16Å |
| 2444 | L | 90.2 | Very high | 83.1 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.4 | -39 | 173.4 | -72.1 | 176.3 | 0 | 0 | 0 | 111.8 | V2440 E2441 E2446 I2447 A2448 F2472 L2475 V2500 L2501 V2505 | V2440-L2444 HydrophobicContact CG1-CD1 3.84Å; V2440-L2444 HydrophobicContact CG1-CG 4.14Å; V2440-L2444 WeakPolarHBondContact O-CB 3.41Å; V2440-L2444 VanDerWaalsContact O-CG 3.27Å; V2440-L2444 WeakPolarHBondContact O-CG 3.33Å; V2440-L2444 PolarHBondContact O-N 3.09Å; E2441-L2444 PolarHBondContact O-N 3.07Å; E2441-L2444 VanDerWaalsContact O-N 3.14Å; L2444-E2446 VanDerWaalsContact C-N 3.32Å; L2444-E2446 PolarHBondContact O-N 3.37Å; L2444-I2447 PolarHBondContact O-N 3.14Å; L2444-A2448 VanDerWaalsContact O-CB 3.29Å; L2444-A2448 WeakPolarHBondContact O-CB 3.34Å; L2444-A2448 PolarHBondContact O-N 3.03Å; L2444-F2472 HydrophobicContact CD2-CD1 3.97Å; L2444-F2472 HydrophobicContact CD2-CE1 3.67Å; L2444-L2475 HydrophobicContact CD1-CD2 4.03Å; L2444-V2500 HydrophobicContact CB-CG1 3.87Å; L2444-L2501 HydrophobicContact CD1-CB 4.01Å; L2444-L2501 HydrophobicContact CD1-CD1 4.07Å; L2444-L2501 HydrophobicContact CD1-CG 4.46Å; L2444-L2501 HydrophobicContact CD2-CD1 4.19Å; L2444-V2505 HydrophobicContact CD2-CG2 4.48Å |
| 2445 | T | 88 | Confident | 81.2 | Confident | 60.6 Ų | 60.6 | 39.7 Ų | 39.7 | 37% | 0.372 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.8 | -40.8 | 176.2 | -54.1 | 0 | 0 | 0 | 0 | 110.9 | E2441 I2442 V2443 A2448 S2449 | E2441-T2445 WeakPolarHBondContact O-CB 3.38Å; E2441-T2445 PolarHBondContact O-N 3.18Å; E2441-T2445 PolarHBondContact O-OG1 3.23Å; I2442-T2445 PolarHBondContact O-N 3.3Å; V2443-T2445 VanDerWaalsContact C-N 3.33Å; T2445-A2448 PolarHBondContact O-N 3.13Å; T2445-S2449 PolarHBondContact O-N 3.24Å; T2445-S2449 PolarHBondContact O-OG 3.23Å |
| 2446 | E | 84.2 | Confident | 79.2 | Confident | 40.6 Ų | 40.6 | 42.8 Ų | 42.8 | 19% | 0.19 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67 | -39.6 | 174.1 | -177.1 | 65.6 | -156.4 | 0 | 0 | 112.2 | P2390 N2391 I2442 V2443 L2444 A2448 S2449 N2450 | P2390-E2446 HydrophobicContact CB-CB 3.85Å; P2390-E2446 HydrophobicContact CB-CG 4.04Å; P2390-E2446 HydrophobicContact CG-CB 4.08Å; P2390-E2446 HydrophobicContact CG-CG 3.98Å; P2390-E2446 VanDerWaalsContact CG-OE2 3.32Å; P2390-E2446 WeakPolarHBondContact CG-OE2 3.34Å; N2391-E2446 VanDerWaalsContact CG-OE1 3.31Å; N2391-E2446 PolarHBondContact ND2-OE1 3.1Å; N2391-E2446 WeakPolarHBondContact OD1-CG 3.39Å; N2391-E2446 PolarHBondContact OD1-OE1 3.08Å; N2391-E2446 VanDerWaalsContact OD1-OE1 3.09Å; I2442-E2446 PolarHBondContact O-N 3.15Å; I2442-E2446 VanDerWaalsContact O-N 3.14Å; V2443-E2446 PolarHBondContact O-N 3.11Å; L2444-E2446 VanDerWaalsContact C-N 3.32Å; L2444-E2446 PolarHBondContact O-N 3.37Å; E2446-A2448 VanDerWaalsContact C-N 3.3Å; E2446-A2448 PolarHBondContact O-N 3.16Å; E2446-S2449 PolarHBondContact O-N 2.99Å; E2446-S2449 PolarHBondContact O-OG 3.22Å; E2446-N2450 PolarHBondContact O-N 3.07Å; E2446-N2450 PolarHBondContact O-ND2 3.06Å; E2446-N2450 PolarHBondContact OE1-ND2 3.03Å |
| 2447 | I | 83.7 | Confident | 77.1 | Confident | 0.2 Ų | 0.2 | 48.8 Ų | 48.8 | 0% | 0.001 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 174 | -69 | 164.9 | 0 | 0 | 0 | 110.2 | V2443 L2444 N2450 L2451 F2464 | V2443-I2447 HydrophobicContact CG1-CD1 4.03Å; V2443-I2447 VanDerWaalsContact O-CG1 3.29Å; V2443-I2447 WeakPolarHBondContact O-CG1 3.37Å; V2443-I2447 PolarHBondContact O-N 3.16Å; L2444-I2447 PolarHBondContact O-N 3.14Å; I2447-N2450 PolarHBondContact O-N 3.14Å; I2447-L2451 HydrophobicContact CG2-CD1 4.23Å; I2447-L2451 WeakPolarHBondContact O-CG 3.44Å; I2447-L2451 PolarHBondContact O-N 3.16Å; I2447-L2451 VanDerWaalsContact O-N 3.12Å; I2447-F2464 HydrophobicContact CG2-CD1 4.13Å; I2447-F2464 HydrophobicContact CG2-CE1 4.04Å |
| 2448 | A | 82.7 | Confident | 75 | Confident | 0.4 Ų | 0.4 | 52.6 Ų | 52.6 | 0% | 0.003 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.6 | -38.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L2444 T2445 E2446 N2450 L2451 N2452 Q2504 V2505 | L2444-A2448 VanDerWaalsContact O-CB 3.29Å; L2444-A2448 WeakPolarHBondContact O-CB 3.34Å; L2444-A2448 PolarHBondContact O-N 3.03Å; T2445-A2448 PolarHBondContact O-N 3.13Å; E2446-A2448 VanDerWaalsContact C-N 3.3Å; E2446-A2448 PolarHBondContact O-N 3.16Å; A2448-N2450 VanDerWaalsContact C-N 3.32Å; A2448-N2450 PolarHBondContact O-N 2.83Å; A2448-L2451 WeakPolarHBondContact O-CB 3.35Å; A2448-L2451 PolarHBondContact O-N 3.24Å; A2448-L2451 VanDerWaalsContact O-N 3.15Å; A2448-N2452 PolarHBondContact O-N 3.12Å; A2448-N2452 PolarHBondContact O-ND2 3.31Å; A2448-N2452 VanDerWaalsContact O-ND2 3.11Å; A2448-Q2504 HydrophobicContact CB-CB 3.63Å; A2448-Q2504 HydrophobicContact CB-CG 4.47Å; A2448-V2505 HydrophobicContact CB-CG2 4.23Å |
| 2449 | S | 78.1 | Confident | 72.7 | Confident | 48.8 Ų | 48.8 | 59.1 Ų | 59.1 | 34% | 0.341 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 174.7 | 60.6 | 0 | 0 | 0 | 0 | 111.3 | T2445 E2446 L2451 N2452 E2453 | T2445-S2449 PolarHBondContact O-N 3.24Å; T2445-S2449 PolarHBondContact O-OG 3.23Å; E2446-S2449 PolarHBondContact O-N 2.99Å; E2446-S2449 PolarHBondContact O-OG 3.22Å; S2449-L2451 VanDerWaalsContact C-N 3.28Å; S2449-L2451 PolarHBondContact O-N 3.06Å; S2449-N2452 PolarHBondContact O-N 3.13Å; S2449-N2452 VanDerWaalsContact O-N 3.17Å; S2449-E2453 PolarHBondContact O-N 3.09Å |
| 2450 | N | 72.5 | Confident | 71 | Confident | 49.2 Ų | 49.2 | 63.4 Ų | 63.4 | 26% | 0.263 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.1 | -30.6 | 176.7 | -73.8 | -81.1 | 0 | 0 | 0 | 112.7 | R2394 E2446 I2447 A2448 N2452 M2463 | R2394-N2450 PolarHBondContact NH1-OD1 2.83Å; E2446-N2450 PolarHBondContact O-N 3.07Å; E2446-N2450 PolarHBondContact O-ND2 3.06Å; E2446-N2450 PolarHBondContact OE1-ND2 3.03Å; I2447-N2450 PolarHBondContact O-N 3.14Å; A2448-N2450 VanDerWaalsContact C-N 3.32Å; A2448-N2450 PolarHBondContact O-N 2.83Å; N2450-N2452 VanDerWaalsContact C-N 3.31Å; N2450-N2452 PolarHBondContact O-N 3.2Å; N2450-M2463 VanDerWaalsContact C-CE 3.44Å; N2450-M2463 HydrophobicContact CB-CE 4.1Å; N2450-M2463 VanDerWaalsContact O-CE 3.26Å; N2450-M2463 WeakPolarHBondContact O-CE 3.22Å |
| 2451 | L | 72.3 | Confident | 69.1 | Low | 46 Ų | 46 | 71.4 Ų | 71.4 | 24% | 0.241 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -70.4 | -23.3 | 175.9 | -76.8 | 166.9 | 0 | 0 | 0 | 113.6 | I2447 A2448 S2449 M2463 F2464 V2505 | I2447-L2451 HydrophobicContact CG2-CD1 4.23Å; I2447-L2451 WeakPolarHBondContact O-CG 3.44Å; I2447-L2451 PolarHBondContact O-N 3.16Å; I2447-L2451 VanDerWaalsContact O-N 3.12Å; A2448-L2451 WeakPolarHBondContact O-CB 3.35Å; A2448-L2451 PolarHBondContact O-N 3.24Å; A2448-L2451 VanDerWaalsContact O-N 3.15Å; S2449-L2451 VanDerWaalsContact C-N 3.28Å; S2449-L2451 PolarHBondContact O-N 3.06Å; L2451-M2463 VanDerWaalsContact CA-CE 3.49Å; L2451-M2463 HydrophobicContact CB-CE 4.29Å; L2451-M2463 HydrophobicContact CD2-CE 3.65Å; L2451-M2463 VanDerWaalsContact CD2-CE 3.44Å; L2451-M2463 HydrophobicContact CD2-SD 3.59Å; L2451-M2463 VanDerWaalsContact CD2-SD 3.55Å; L2451-M2463 HydrophobicContact CG-CE 3.91Å; L2451-M2463 HydrophobicContact CG-SD 4.34Å; L2451-F2464 HydrophobicContact CD1-CE1 4.29Å; L2451-F2464 HydrophobicContact CD1-CZ 4.42Å; L2451-V2505 HydrophobicContact CD1-CG1 4.44Å |
| 2452 | N | 65.3 | Low | 67.2 | Low | 115.2 Ų | 115.2 | 72.9 Ų | 72.9 | 62% | 0.616 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -91.8 | -15.5 | -178 | -67.7 | -31.7 | 0 | 0 | 0 | 113.5 | A2448 S2449 N2450 | A2448-N2452 PolarHBondContact O-N 3.12Å; A2448-N2452 PolarHBondContact O-ND2 3.31Å; A2448-N2452 VanDerWaalsContact O-ND2 3.11Å; S2449-N2452 PolarHBondContact O-N 3.13Å; S2449-N2452 VanDerWaalsContact O-N 3.17Å; N2450-N2452 VanDerWaalsContact C-N 3.31Å; N2450-N2452 PolarHBondContact O-N 3.2Å |
| 2453 | E | 56.8 | Low | 65.6 | Low | 168.8 Ų | 168.8 | 73.1 Ų | 73.1 | 79% | 0.789 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -93.3 | -11.9 | -179.5 | -69.4 | -171 | 163.9 | 0 | 0 | 113.8 | S2449 | S2449-E2453 PolarHBondContact O-N 3.09Å |
| 2454 | S | 50.2 | Low | 64.5 | Low | 45.6 Ų | 45.6 | 73.7 Ų | 73.7 | 32% | 0.319 | 41% | 0.411 | S | S | . | . | trans | -102.1 | 101.9 | -178 | 63.1 | 0 | 0 | 0 | 0 | 112.7 | S2456 | S2454-S2456 PolarHBondContact O-N 3.17Š| ||
| 2455 | D | 50.8 | Low | 63.3 | Low | 167.2 Ų | 167.2 | 75.7 Ų | 75.7 | 89% | 0.894 | 43% | 0.427 | S | S | * | . | trans | -71.3 | 6.4 | 168.7 | -78.8 | -35.7 | 0 | 0 | 0 | 113.4 | ||||
| 2456 | S | 46.9 | Very low | 62.5 | Low | 80.2 Ų | 80.2 | 75.7 Ų | 75.7 | 56% | 0.561 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -107.5 | 137.4 | -179.6 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | S2454 P2458 | S2454-S2456 PolarHBondContact O-N 3.17Å; S2456-P2458 WeakPolarHBondContact O-CD 3.31Å |
| 2457 | P | 48.4 | Very low | 62.2 | Low | 124.2 Ų | 124.2 | 74.4 Ų | 74.4 | 81% | 0.806 | 43% | 0.434 | S | S | * | . | trans | -66.8 | 134.5 | -177.5 | 26.4 | -32.9 | 0 | 0 | 0 | 111.3 | M2459 | P2457-M2459 PolarHBondContact O-N 2.8Š| ||
| 2458 | P | 50.2 | Low | 62.1 | Low | 80.8 Ų | 80.8 | 77.9 Ų | 77.9 | 53% | 0.525 | 46% | 0.457 | S | S | . | . | trans | -85.7 | 130.4 | -153.4 | 29.6 | -30.6 | 0 | 0 | 0 | 111.4 | S2456 E2460 M2463 | S2456-P2458 WeakPolarHBondContact O-CD 3.31Å; P2458-E2460 VanDerWaalsContact C-N 3.28Å; P2458-E2460 HydrophobicContact CB-CG 4.11Å; P2458-E2460 PolarHBondContact O-N 3.18Å; P2458-M2463 HydrophobicContact CB-SD 3.71Å; P2458-M2463 WeakPolarHBondContact CB-SD 3.44Å; P2458-M2463 HydrophobicContact CG-SD 4.16Å | ||
| 2459 | M | 45.8 | Very low | 61.9 | Low | 152.8 Ų | 152.8 | 83 Ų | 83 | 75% | 0.753 | 48% | 0.476 | S | S | * | . | trans | -75.2 | 85.3 | 162.2 | -164.3 | 172.2 | 62.3 | 0 | 0 | 108.1 | P2457 E2461 A2462 M2463 | P2457-M2459 PolarHBondContact O-N 2.8Å; M2459-E2461 VanDerWaalsContact C-N 3.3Å; M2459-E2461 PolarHBondContact O-N 3.07Å; M2459-E2461 VanDerWaalsContact O-N 3.15Å; M2459-A2462 HydrophobicContact CE-CB 3.96Å; M2459-A2462 HydrophobicContact CG-CB 3.75Å; M2459-A2462 PolarHBondContact O-N 3.14Å; M2459-A2462 VanDerWaalsContact O-N 3.13Å; M2459-A2462 HydrophobicContact SD-CB 3.61Å; M2459-M2463 PolarHBondContact O-N 3.29Å | ||
| 2460 | E | 56.6 | Low | 62.2 | Low | 91.2 Ų | 91.2 | 85.2 Ų | 85.2 | 43% | 0.426 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -53.3 | -41.7 | -160.4 | -142.6 | 174.8 | 179.3 | 0 | 0 | 113.4 | P2458 A2462 M2463 F2464 R2469 | P2458-E2460 VanDerWaalsContact C-N 3.28Å; P2458-E2460 HydrophobicContact CB-CG 4.11Å; P2458-E2460 PolarHBondContact O-N 3.18Å; E2460-A2462 PolarHBondContact O-N 3Å; E2460-M2463 PolarHBondContact O-N 3.21Å; E2460-F2464 HydrophobicContact CG-CD2 4.03Å; E2460-F2464 HydrophobicContact CG-CE2 3.86Å; E2460-F2464 WeakPolarHBondContact O-CD2 3.34Å; E2460-F2464 PolarHBondContact O-N 3.21Å; E2460-F2464 VanDerWaalsContact O-N 3.15Å; E2460-R2469 WeakPolarHBondContact OE1-CD 3.13Å; E2460-R2469 IonicContact OE1-CZ 2.99Å; E2460-R2469 IonicContact OE1-NE 3.88Å; E2460-R2469 IonicContact OE1-NH1 3.54Å; E2460-R2469 PolarHBondContact OE1-NH1 3.31Å |
| 2461 | E | 53.3 | Low | 62.8 | Low | 166.4 Ų | 166.4 | 85.4 Ų | 85.4 | 78% | 0.778 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.2 | -37.7 | -176.4 | -69.7 | -173.6 | 139.6 | 0 | 0 | 114.4 | M2459 M2463 A2465 G2466 | M2459-E2461 VanDerWaalsContact C-N 3.3Å; M2459-E2461 PolarHBondContact O-N 3.07Å; M2459-E2461 VanDerWaalsContact O-N 3.15Å; E2461-M2463 VanDerWaalsContact C-N 3.31Å; E2461-M2463 PolarHBondContact O-N 3.37Å; E2461-A2465 PolarHBondContact O-N 3.38Å; E2461-G2466 WeakPolarHBondContact O-CA 3.34Å; E2461-G2466 PolarHBondContact O-N 3.24Å |
| 2462 | A | 54.6 | Low | 63.7 | Low | 64 Ų | 64 | 83.3 Ų | 83.3 | 53% | 0.529 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.2 | -32 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | M2459 E2460 A2465 | M2459-A2462 HydrophobicContact CE-CB 3.96Å; M2459-A2462 HydrophobicContact CG-CB 3.75Å; M2459-A2462 PolarHBondContact O-N 3.14Å; M2459-A2462 VanDerWaalsContact O-N 3.13Å; M2459-A2462 HydrophobicContact SD-CB 3.61Å; E2460-A2462 PolarHBondContact O-N 3Å; A2462-A2465 PolarHBondContact O-N 3.25Å |
| 2463 | M | 57.3 | Low | 64.9 | Low | 31.4 Ų | 31.4 | 81.4 Ų | 81.4 | 16% | 0.155 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -75.8 | -36.9 | -175.5 | -155.6 | 167.4 | -171.1 | 0 | 0 | 112.5 | R2394 N2450 L2451 P2458 M2459 E2460 E2461 A2465 | R2394-M2463 PolarHBondContact NH2-O 3.08Å; N2450-M2463 VanDerWaalsContact C-CE 3.44Å; N2450-M2463 HydrophobicContact CB-CE 4.1Å; N2450-M2463 VanDerWaalsContact O-CE 3.26Å; N2450-M2463 WeakPolarHBondContact O-CE 3.22Å; L2451-M2463 VanDerWaalsContact CA-CE 3.49Å; L2451-M2463 HydrophobicContact CB-CE 4.29Å; L2451-M2463 HydrophobicContact CD2-CE 3.65Å; L2451-M2463 VanDerWaalsContact CD2-CE 3.44Å; L2451-M2463 HydrophobicContact CD2-SD 3.59Å; L2451-M2463 VanDerWaalsContact CD2-SD 3.55Å; L2451-M2463 HydrophobicContact CG-CE 3.91Å; L2451-M2463 HydrophobicContact CG-SD 4.34Å; P2458-M2463 HydrophobicContact CB-SD 3.71Å; P2458-M2463 WeakPolarHBondContact CB-SD 3.44Å; P2458-M2463 HydrophobicContact CG-SD 4.16Å; M2459-M2463 PolarHBondContact O-N 3.29Å; E2460-M2463 PolarHBondContact O-N 3.21Å; E2461-M2463 VanDerWaalsContact C-N 3.31Å; E2461-M2463 PolarHBondContact O-N 3.37Å; M2463-A2465 PolarHBondContact O-N 3.06Å; M2463-A2465 VanDerWaalsContact O-N 3.17Å |
| 2464 | F | 65.9 | Low | 66.5 | Low | 14.2 Ų | 14.2 | 76.9 Ų | 76.9 | 6% | 0.062 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 19.8 | 176.3 | -65.9 | -65.5 | 0 | 0 | 0 | 114.4 | I2447 L2451 E2460 G2466 V2467 F2472 V2505 | I2447-F2464 HydrophobicContact CG2-CD1 4.13Å; I2447-F2464 HydrophobicContact CG2-CE1 4.04Å; L2451-F2464 HydrophobicContact CD1-CE1 4.29Å; L2451-F2464 HydrophobicContact CD1-CZ 4.42Å; E2460-F2464 HydrophobicContact CG-CD2 4.03Å; E2460-F2464 HydrophobicContact CG-CE2 3.86Å; E2460-F2464 WeakPolarHBondContact O-CD2 3.34Å; E2460-F2464 PolarHBondContact O-N 3.21Å; E2460-F2464 VanDerWaalsContact O-N 3.15Å; F2464-G2466 PolarHBondContact O-N 3.33Å; F2464-G2466 VanDerWaalsContact O-N 3.13Å; F2464-V2467 VanDerWaalsContact CB-O 3.28Å; F2464-V2467 WeakPolarHBondContact CB-O 3.41Å; F2464-V2467 WeakPolarHBondContact O-CB 3.28Å; F2464-V2467 PolarHBondContact O-N 3.16Å; F2464-V2467 VanDerWaalsContact O-N 3.11Å; F2464-F2472 HydrophobicContact CB-CE2 4.17Å; F2464-F2472 HydrophobicContact CB-CZ 4.29Å; F2464-F2472 HydrophobicContact CD1-CD2 4.5Å; F2464-F2472 HydrophobicContact CD1-CE1 4.26Å; F2464-F2472 AromaticContact CD1-CE2 3.74Å; F2464-F2472 HydrophobicContact CD1-CE2 3.81Å; F2464-F2472 AromaticContact CD1-CZ 3.62Å; F2464-F2472 HydrophobicContact CD1-CZ 3.62Å; F2464-F2472 VanDerWaalsContact CD1-CZ 3.49Å; F2464-F2472 HydrophobicContact CE1-CE2 4.4Å; F2464-F2472 HydrophobicContact CE1-CZ 4.32Å; F2464-F2472 AromaticContact CG-CE2 3.93Å; F2464-F2472 HydrophobicContact CG-CE2 4.09Å; F2464-F2472 HydrophobicContact CG-CZ 4.25Å; F2464-V2505 HydrophobicContact CE1-CG1 3.96Å; F2464-V2505 HydrophobicContact CZ-CG1 4.25Å |
| 2465 | A | 66.3 | Low | 68.5 | Low | 41.2 Ų | 41.2 | 74.8 Ų | 74.8 | 34% | 0.34 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 33.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R2394 I2397 E2461 A2462 M2463 V2467 | R2394-A2465 HydrophobicContact CG-CB 3.93Å; I2397-A2465 HydrophobicContact CG2-CB 4.37Å; E2461-A2465 PolarHBondContact O-N 3.38Å; A2462-A2465 PolarHBondContact O-N 3.25Å; M2463-A2465 PolarHBondContact O-N 3.06Å; M2463-A2465 VanDerWaalsContact O-N 3.17Å; A2465-V2467 VanDerWaalsContact C-N 3.33Å |
| 2466 | G | 70.6 | Confident | 70.6 | Confident | 60.8 Ų | 60.8 | 67 Ų | 67 | 63% | 0.627 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 12.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | E2461 F2464 | E2461-G2466 WeakPolarHBondContact O-CA 3.34Å; E2461-G2466 PolarHBondContact O-N 3.24Å; F2464-G2466 PolarHBondContact O-N 3.33Å; F2464-G2466 VanDerWaalsContact O-N 3.13Å |
| 2467 | V | 78 | Confident | 72.8 | Confident | 14.6 Ų | 14.6 | 66.7 Ų | 66.7 | 9% | 0.088 | 38% | 0.378 | C | S | . | . | trans | -93.2 | 125.2 | 174.9 | -175.2 | 0 | 0 | 0 | 0 | 110.7 | I2397 M2401 F2464 A2465 N2471 F2472 | I2397-V2467 HydrophobicContact CG2-CG2 3.92Å; M2401-V2467 HydrophobicContact CE-CB 4.29Å; M2401-V2467 HydrophobicContact CE-CG1 3.6Å; M2401-V2467 HydrophobicContact CE-CG2 4.11Å; F2464-V2467 VanDerWaalsContact CB-O 3.28Å; F2464-V2467 WeakPolarHBondContact CB-O 3.41Å; F2464-V2467 WeakPolarHBondContact O-CB 3.28Å; F2464-V2467 PolarHBondContact O-N 3.16Å; F2464-V2467 VanDerWaalsContact O-N 3.11Å; A2465-V2467 VanDerWaalsContact C-N 3.33Å; V2467-N2471 HydrophobicContact CG1-CB 3.73Å; V2467-F2472 HydrophobicContact CB-CE2 4.2Å; V2467-F2472 HydrophobicContact CB-CZ 4.42Å; V2467-F2472 HydrophobicContact CG1-CD2 4.32Å; V2467-F2472 HydrophobicContact CG1-CE2 4.05Å; V2467-F2472 HydrophobicContact CG1-CZ 4.28Å | ||
| 2468 | P | 80.6 | Confident | 74.9 | Confident | 72.8 Ų | 72.8 | 61.2 Ų | 61.2 | 47% | 0.473 | 34% | 0.342 | S | S | . | . | trans | -64.2 | 145.8 | 177.8 | 6.4 | -7.5 | 0 | 0 | 0 | 112.5 | T2470 N2471 | P2468-T2470 PolarHBondContact O-N 3.01Å; P2468-T2470 VanDerWaalsContact O-N 3.11Å; P2468-N2471 WeakPolarHBondContact O-CB 3.27Å; P2468-N2471 PolarHBondContact O-N 3.03Å | ||
| 2469 | R | 78.8 | Confident | 77 | Confident | 108.4 Ų | 108.4 | 57.4 Ų | 57.4 | 41% | 0.409 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.8 | -178.4 | -160.3 | 176.8 | -179 | 139 | -1.5 | 113.3 | E2460 N2471 F2472 F2473 | E2460-R2469 WeakPolarHBondContact OE1-CD 3.13Å; E2460-R2469 IonicContact OE1-CZ 2.99Å; E2460-R2469 IonicContact OE1-NE 3.88Å; E2460-R2469 IonicContact OE1-NH1 3.54Å; E2460-R2469 PolarHBondContact OE1-NH1 3.31Å; R2469-N2471 VanDerWaalsContact C-N 3.26Å; R2469-N2471 PolarHBondContact O-N 2.92Å; R2469-F2472 WeakPolarHBondContact O-CB 3.31Å; R2469-F2472 PolarHBondContact O-N 3.03Å; R2469-F2472 VanDerWaalsContact O-N 3.1Å; R2469-F2473 HydrophobicContact CG-CE2 4.22Å; R2469-F2473 WeakPolarHBondContact O-CD2 3.31Å |
| 2470 | T | 84 | Confident | 79.3 | Confident | 94.4 Ų | 94.4 | 50.7 Ų | 50.7 | 58% | 0.579 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -54.7 | -36.1 | 174.7 | 50.1 | 0 | 0 | 0 | 0 | 113.4 | P2468 F2472 F2473 Q2474 | P2468-T2470 PolarHBondContact O-N 3.01Å; P2468-T2470 VanDerWaalsContact O-N 3.11Å; T2470-F2472 VanDerWaalsContact C-N 3.26Å; T2470-F2472 PolarHBondContact O-N 3.28Å; T2470-F2473 PolarHBondContact O-N 3.22Å; T2470-Q2474 PolarHBondContact O-N 3.21Å; T2470-Q2474 VanDerWaalsContact O-N 3.08Å |
| 2471 | N | 86.6 | Confident | 80.9 | Confident | 53.4 Ų | 53.4 | 48.8 Ų | 48.8 | 29% | 0.286 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -71.6 | -23.6 | -177.3 | -66.1 | 18.3 | 0 | 0 | 0 | 111.9 | V2467 P2468 R2469 Q2474 L2475 | V2467-N2471 HydrophobicContact CG1-CB 3.73Å; P2468-N2471 WeakPolarHBondContact O-CB 3.27Å; P2468-N2471 PolarHBondContact O-N 3.03Å; R2469-N2471 VanDerWaalsContact C-N 3.26Å; R2469-N2471 PolarHBondContact O-N 2.92Å; N2471-Q2474 PolarHBondContact O-N 3.15Å; N2471-L2475 WeakPolarHBondContact O-CB 3.34Å; N2471-L2475 PolarHBondContact O-N 3.24Å |
| 2472 | F | 89.7 | Confident | 82.8 | Confident | 1.2 Ų | 1.2 | 41 Ų | 41 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -74.9 | -34.7 | 174.9 | -65.2 | -90.3 | 0 | 0 | 0 | 111.6 | M2401 L2444 F2464 V2467 R2469 T2470 L2475 Q2476 L2501 V2505 L2506 | M2401-F2472 HydrophobicContact CE-CE1 4.32Å; M2401-F2472 HydrophobicContact CE-CE2 4.42Å; M2401-F2472 HydrophobicContact CE-CZ 4.32Å; M2401-F2472 HydrophobicContact SD-CD1 4.38Å; M2401-F2472 HydrophobicContact SD-CE1 4.3Å; L2444-F2472 HydrophobicContact CD2-CD1 3.97Å; L2444-F2472 HydrophobicContact CD2-CE1 3.67Å; F2464-F2472 HydrophobicContact CB-CE2 4.17Å; F2464-F2472 HydrophobicContact CB-CZ 4.29Å; F2464-F2472 HydrophobicContact CD1-CD2 4.5Å; F2464-F2472 HydrophobicContact CD1-CE1 4.26Å; F2464-F2472 AromaticContact CD1-CE2 3.74Å; F2464-F2472 HydrophobicContact CD1-CE2 3.81Å; F2464-F2472 AromaticContact CD1-CZ 3.62Å; F2464-F2472 HydrophobicContact CD1-CZ 3.62Å; F2464-F2472 VanDerWaalsContact CD1-CZ 3.49Å; F2464-F2472 HydrophobicContact CE1-CE2 4.4Å; F2464-F2472 HydrophobicContact CE1-CZ 4.32Å; F2464-F2472 AromaticContact CG-CE2 3.93Å; F2464-F2472 HydrophobicContact CG-CE2 4.09Å; F2464-F2472 HydrophobicContact CG-CZ 4.25Å; V2467-F2472 HydrophobicContact CB-CE2 4.2Å; V2467-F2472 HydrophobicContact CB-CZ 4.42Å; V2467-F2472 HydrophobicContact CG1-CD2 4.32Å; V2467-F2472 HydrophobicContact CG1-CE2 4.05Å; V2467-F2472 HydrophobicContact CG1-CZ 4.28Å; R2469-F2472 WeakPolarHBondContact O-CB 3.31Å; R2469-F2472 PolarHBondContact O-N 3.03Å; R2469-F2472 VanDerWaalsContact O-N 3.1Å; T2470-F2472 VanDerWaalsContact C-N 3.26Å; T2470-F2472 PolarHBondContact O-N 3.28Å; F2472-L2475 PolarHBondContact O-N 3.17Å; F2472-Q2476 PolarHBondContact O-N 3.08Å; F2472-L2501 HydrophobicContact CB-CD1 4.15Å; F2472-L2501 HydrophobicContact CD1-CD1 3.9Å; F2472-L2501 HydrophobicContact CG-CD1 4.47Å; F2472-V2505 HydrophobicContact CD1-CG1 4.42Å; F2472-L2506 HydrophobicContact CB-CD2 3.84Å; F2472-L2506 HydrophobicContact CB-CG 4.47Å |
| 2473 | F | 90.5 | Very high | 84.5 | Confident | 76.6 Ų | 76.6 | 38 Ų | 38 | 34% | 0.336 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.3 | -36.2 | 169.3 | -68 | -74.8 | 0 | 0 | 0 | 111.9 | R2469 T2470 Q2476 N2477 L2506 | R2469-F2473 HydrophobicContact CG-CE2 4.22Å; R2469-F2473 WeakPolarHBondContact O-CD2 3.31Å; T2470-F2473 PolarHBondContact O-N 3.22Å; F2473-Q2476 WeakPolarHBondContact O-CB 3.3Å; F2473-Q2476 PolarHBondContact O-N 3.14Å; F2473-N2477 PolarHBondContact O-N 3.19Å; F2473-N2477 VanDerWaalsContact O-N 3.1Å; F2473-N2477 PolarHBondContact O-ND2 3.08Å; F2473-L2506 HydrophobicContact CD1-CD1 4.17Å; F2473-L2506 HydrophobicContact CD1-CD2 4.26Å; F2473-L2506 HydrophobicContact CD2-CD2 4.38Å; F2473-L2506 HydrophobicContact CE1-CD1 4.34Å; F2473-L2506 HydrophobicContact CE1-CD2 4.02Å; F2473-L2506 HydrophobicContact CE2-CD2 4.15Å; F2473-L2506 HydrophobicContact CG-CD2 4.42Å; F2473-L2506 HydrophobicContact CZ-CD2 3.98Å |
| 2474 | Q | 91.1 | Very high | 86.1 | Confident | 73 Ų | 73 | 39.5 Ų | 39.5 | 34% | 0.341 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.1 | -44.5 | 171.5 | -173.2 | 159 | 22.6 | 0 | 0 | 111.5 | H2405 T2470 N2471 Q2476 N2477 D2478 | H2405-Q2474 PolarHBondContact CD2-NE2 3.03Å; H2405-Q2474 PolarHBondContact CE1-NE2 3.3Å; H2405-Q2474 VanDerWaalsContact CE1-NE2 3.32Å; H2405-Q2474 PolarHBondContact ND1-NE2 3.07Å; H2405-Q2474 PolarHBondContact NE2-NE2 3.19Å; T2470-Q2474 PolarHBondContact O-N 3.21Å; T2470-Q2474 VanDerWaalsContact O-N 3.08Å; N2471-Q2474 PolarHBondContact O-N 3.15Å; Q2474-Q2476 VanDerWaalsContact C-N 3.31Å; Q2474-Q2476 PolarHBondContact O-N 3.19Å; Q2474-N2477 WeakPolarHBondContact O-CB 3.24Å; Q2474-N2477 PolarHBondContact O-N 3.13Å; Q2474-N2477 VanDerWaalsContact O-N 3.15Å; Q2474-D2478 PolarHBondContact NE2-OD1 3.14Å; Q2474-D2478 VanDerWaalsContact O-CG 3.28Å; Q2474-D2478 PolarHBondContact O-N 3.19Å |
| 2475 | L | 93.1 | Very high | 87 | Confident | 2.4 Ų | 2.4 | 44.3 Ų | 44.3 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59 | -41.2 | 173.7 | 177 | 65.1 | 0 | 0 | 0 | 111.9 | M2401 L2404 V2440 L2444 N2471 F2472 N2477 D2478 L2479 L2501 | M2401-L2475 HydrophobicContact CG-CD1 4.47Å; M2401-L2475 HydrophobicContact CG-CD2 4.16Å; M2401-L2475 HydrophobicContact SD-CB 4.4Å; M2401-L2475 HydrophobicContact SD-CD2 3.75Å; L2404-L2475 HydrophobicContact CD1-CD1 3.72Å; L2404-L2475 HydrophobicContact CD2-CD1 3.62Å; L2404-L2475 HydrophobicContact CG-CD1 4.29Å; V2440-L2475 HydrophobicContact CG1-CD1 4.44Å; V2440-L2475 HydrophobicContact CG1-CD2 3.77Å; L2444-L2475 HydrophobicContact CD1-CD2 4.03Å; N2471-L2475 WeakPolarHBondContact O-CB 3.34Å; N2471-L2475 PolarHBondContact O-N 3.24Å; F2472-L2475 PolarHBondContact O-N 3.17Å; L2475-N2477 VanDerWaalsContact C-N 3.31Å; L2475-N2477 PolarHBondContact O-N 3.13Å; L2475-D2478 PolarHBondContact O-N 3.24Å; L2475-L2479 HydrophobicContact CD1-CD1 4.1Å; L2475-L2479 HydrophobicContact CD1-CD2 4.45Å; L2475-L2479 HydrophobicContact CD1-CG 3.99Å; L2475-L2479 HydrophobicContact CD2-CD1 4.45Å; L2475-L2479 HydrophobicContact CG-CD1 3.94Å; L2475-L2479 HydrophobicContact CG-CG 4.27Å; L2475-L2479 WeakPolarHBondContact O-CB 3.4Å; L2475-L2479 VanDerWaalsContact O-CG 3.26Å; L2475-L2479 WeakPolarHBondContact O-CG 3.33Å; L2475-L2479 PolarHBondContact O-N 3.06Å; L2475-L2501 HydrophobicContact CB-CD2 4.3Å; L2475-L2501 HydrophobicContact CD2-CD1 4.33Å; L2475-L2501 HydrophobicContact CD2-CD2 3.95Å; L2475-L2501 HydrophobicContact CG-CD2 3.92Å |
| 2476 | Q | 94 | Very high | 88 | Confident | 2.4 Ų | 2.4 | 43.5 Ų | 43.5 | 1% | 0.011 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.9 | -47.1 | 175 | -173.1 | -175 | 15.5 | 0 | 0 | 111 | F2472 F2473 Q2474 L2479 L2480 L2498 L2501 V2502 L2506 D2508 Q2511 | F2472-Q2476 PolarHBondContact O-N 3.08Å; F2473-Q2476 WeakPolarHBondContact O-CB 3.3Å; F2473-Q2476 PolarHBondContact O-N 3.14Å; Q2474-Q2476 VanDerWaalsContact C-N 3.31Å; Q2474-Q2476 PolarHBondContact O-N 3.19Å; Q2476-L2479 PolarHBondContact O-N 3.1Å; Q2476-L2480 HydrophobicContact CG-CD1 4.37Å; Q2476-L2480 VanDerWaalsContact O-CG 3.31Å; Q2476-L2480 WeakPolarHBondContact O-CG 3.3Å; Q2476-L2480 PolarHBondContact O-N 3.21Å; Q2476-L2480 VanDerWaalsContact O-N 3.08Å; Q2476-L2498 HydrophobicContact CB-CD1 4.47Å; Q2476-L2498 HydrophobicContact CG-CD1 3.9Å; Q2476-L2498 HydrophobicContact CG-CD2 4.04Å; Q2476-L2501 HydrophobicContact CB-CD2 3.97Å; Q2476-V2502 HydrophobicContact CG-CG2 4.15Å; Q2476-L2506 HydrophobicContact CB-CD1 4.13Å; Q2476-L2506 HydrophobicContact CG-CD1 4.37Å; Q2476-D2508 PolarHBondContact NE2-O 3.02Å; Q2476-Q2511 VanDerWaalsContact CG-OE1 3.28Å |
| 2477 | N | 92.6 | Very high | 88.7 | Confident | 75.4 Ų | 75.4 | 42.5 Ų | 42.5 | 40% | 0.403 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.8 | -41.9 | 177.4 | -67.7 | -31.3 | 0 | 0 | 0 | 112.4 | F2473 Q2474 L2475 L2480 Q2481 Q2511 | F2473-N2477 PolarHBondContact O-N 3.19Å; F2473-N2477 VanDerWaalsContact O-N 3.1Å; F2473-N2477 PolarHBondContact O-ND2 3.08Å; Q2474-N2477 WeakPolarHBondContact O-CB 3.24Å; Q2474-N2477 PolarHBondContact O-N 3.13Å; Q2474-N2477 VanDerWaalsContact O-N 3.15Å; L2475-N2477 VanDerWaalsContact C-N 3.31Å; L2475-N2477 PolarHBondContact O-N 3.13Å; N2477-L2480 PolarHBondContact O-N 3.13Å; N2477-Q2481 WeakPolarHBondContact O-CB 3.32Å; N2477-Q2481 WeakPolarHBondContact O-CG 3.34Å; N2477-Q2481 PolarHBondContact O-N 3.19Å; N2477-Q2511 PolarHBondContact OD1-NE2 2.94Å; N2477-Q2511 PolarHBondContact OD1-OE1 3.19Å |
| 2478 | D | 92.9 | Very high | 89.2 | Confident | 8 Ų | 8 | 48.6 Ų | 48.6 | 4% | 0.043 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 178.2 | -68.2 | -32.3 | 0 | 0 | 0 | 111.8 | L2404 H2405 C2408 Q2474 L2475 L2480 Q2481 F2482 | L2404-D2478 HydrophobicContact CD2-CB 3.52Å; H2405-D2478 VanDerWaalsContact CA-OD2 3.27Å; H2405-D2478 WeakPolarHBondContact CA-OD2 3.37Å; H2405-D2478 VanDerWaalsContact CB-OD2 3.23Å; H2405-D2478 WeakPolarHBondContact CB-OD2 3.19Å; H2405-D2478 IonicContact CE1-OD1 3.32Å; H2405-D2478 IonicContact CE1-OD2 2.64Å; H2405-D2478 IonicContact CG-OD1 2.69Å; H2405-D2478 IonicContact CG-OD2 3.27Å; H2405-D2478 VanDerWaalsContact ND1-CG 3.29Å; H2405-D2478 IonicContact ND1-OD1 3.06Å; H2405-D2478 PolarHBondContact ND1-OD1 3.23Å; H2405-D2478 IonicContact ND1-OD2 3.35Å; H2405-D2478 PolarHBondContact ND1-OD2 3.25Å; C2408-D2478 HydrophobicContact CB-CB 4.19Å; C2408-D2478 VanDerWaalsContact CB-OD1 3.26Å; C2408-D2478 WeakPolarHBondContact CB-OD1 3.36Å; C2408-D2478 PolarHBondContact SG-OD1 3.1Å; C2408-D2478 VanDerWaalsContact SG-OD1 3.39Å; Q2474-D2478 PolarHBondContact NE2-OD1 3.14Å; Q2474-D2478 VanDerWaalsContact O-CG 3.28Å; Q2474-D2478 PolarHBondContact O-N 3.19Å; L2475-D2478 PolarHBondContact O-N 3.24Å; D2478-L2480 VanDerWaalsContact C-N 3.35Å; D2478-L2480 PolarHBondContact O-N 3.15Å; D2478-Q2481 WeakPolarHBondContact O-CB 3.37Å; D2478-Q2481 PolarHBondContact O-N 3.1Å; D2478-F2482 HydrophobicContact CB-CE2 4.3Å; D2478-F2482 VanDerWaalsContact O-CD2 3.28Å; D2478-F2482 WeakPolarHBondContact O-CD2 3.38Å; D2478-F2482 WeakPolarHBondContact O-CG 3.32Å; D2478-F2482 PolarHBondContact O-N 3.06Å |
| 2479 | L | 94.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.6 | -42.1 | 176 | -70.3 | 173.1 | 0 | 0 | 0 | 111.4 | L2404 I2437 L2475 Q2476 Q2481 F2482 V2483 A2494 C2497 L2498 L2501 | L2404-L2479 HydrophobicContact CD1-CD2 4.34Å; L2404-L2479 HydrophobicContact CD2-CD2 4.31Å; I2437-L2479 HydrophobicContact CD1-CD2 4.41Å; I2437-L2479 HydrophobicContact CG1-CD2 4.29Å; I2437-L2479 HydrophobicContact CG2-CD2 4.2Å; L2475-L2479 HydrophobicContact CD1-CD1 4.1Å; L2475-L2479 HydrophobicContact CD1-CD2 4.45Å; L2475-L2479 HydrophobicContact CD1-CG 3.99Å; L2475-L2479 HydrophobicContact CD2-CD1 4.45Å; L2475-L2479 HydrophobicContact CG-CD1 3.94Å; L2475-L2479 HydrophobicContact CG-CG 4.27Å; L2475-L2479 WeakPolarHBondContact O-CB 3.4Å; L2475-L2479 VanDerWaalsContact O-CG 3.26Å; L2475-L2479 WeakPolarHBondContact O-CG 3.33Å; L2475-L2479 PolarHBondContact O-N 3.06Å; Q2476-L2479 PolarHBondContact O-N 3.1Å; L2479-Q2481 VanDerWaalsContact C-N 3.33Å; L2479-Q2481 PolarHBondContact O-N 3.4Å; L2479-F2482 HydrophobicContact CD2-CD2 4.46Å; L2479-F2482 WeakPolarHBondContact O-CB 3.09Å; L2479-F2482 PolarHBondContact O-N 2.96Å; L2479-F2482 VanDerWaalsContact O-N 3.17Å; L2479-V2483 WeakPolarHBondContact O-CG2 3.41Å; L2479-V2483 PolarHBondContact O-N 3.14Å; L2479-A2494 HydrophobicContact CD2-CB 4.11Å; L2479-C2497 HydrophobicContact CD1-CB 4.22Å; L2479-C2497 HydrophobicContact CD2-CB 4.39Å; L2479-L2498 HydrophobicContact CB-CB 4.48Å; L2479-L2498 HydrophobicContact CB-CD1 3.98Å; L2479-L2498 HydrophobicContact CB-CD2 3.72Å; L2479-L2498 HydrophobicContact CB-CG 3.53Å; L2479-L2498 HydrophobicContact CD1-CB 4.29Å; L2479-L2498 HydrophobicContact CD1-CD1 4.2Å; L2479-L2498 HydrophobicContact CD1-CD2 3.94Å; L2479-L2498 HydrophobicContact CD1-CG 3.84Å; L2479-L2498 HydrophobicContact CG-CD2 4.49Å; L2479-L2498 HydrophobicContact CG-CG 4.32Å; L2479-L2501 HydrophobicContact CD1-CD2 4.05Å |
| 2480 | L | 93.5 | Very high | 90.1 | Very high | 13.8 Ų | 13.8 | 42.8 Ų | 42.8 | 7% | 0.072 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62 | -41 | 174.2 | -74.5 | 168.5 | 0 | 0 | 0 | 112 | Q2476 N2477 D2478 F2482 V2483 Q2484 L2498 Q2511 C2515 | Q2476-L2480 HydrophobicContact CG-CD1 4.37Å; Q2476-L2480 VanDerWaalsContact O-CG 3.31Å; Q2476-L2480 WeakPolarHBondContact O-CG 3.3Å; Q2476-L2480 PolarHBondContact O-N 3.21Å; Q2476-L2480 VanDerWaalsContact O-N 3.08Å; N2477-L2480 PolarHBondContact O-N 3.13Å; D2478-L2480 VanDerWaalsContact C-N 3.35Å; D2478-L2480 PolarHBondContact O-N 3.15Å; L2480-F2482 VanDerWaalsContact C-N 3.31Å; L2480-F2482 PolarHBondContact O-N 3.06Å; L2480-V2483 WeakPolarHBondContact O-CB 3.35Å; L2480-V2483 PolarHBondContact O-N 3.06Å; L2480-Q2484 WeakPolarHBondContact O-CG 3.3Å; L2480-Q2484 PolarHBondContact O-N 2.95Å; L2480-L2498 HydrophobicContact CD2-CD1 4.21Å; L2480-L2498 HydrophobicContact CD2-CD2 3.81Å; L2480-L2498 HydrophobicContact CG-CD1 4.23Å; L2480-L2498 HydrophobicContact CG-CD2 4.23Å; L2480-Q2511 HydrophobicContact CD1-CB 3.63Å; L2480-C2515 HydrophobicContact CD2-CB 3.79Å |
| 2481 | Q | 91.3 | Very high | 90.5 | Very high | 51.4 Ų | 51.4 | 38.6 Ų | 38.6 | 24% | 0.24 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.7 | -37.1 | 174.1 | -140.7 | 175.9 | -13.8 | 0 | 0 | 112 | C2408 N2477 D2478 L2479 Q2484 R2485 | C2408-Q2481 PolarHBondContact O-NE2 2.98Å; C2408-Q2481 VanDerWaalsContact O-NE2 3.15Å; C2408-Q2481 VanDerWaalsContact SG-CD 3.59Å; C2408-Q2481 PolarHBondContact SG-NE2 3.18Å; C2408-Q2481 VanDerWaalsContact SG-NE2 3.41Å; C2408-Q2481 PolarHBondContact SG-OE1 3.48Å; N2477-Q2481 WeakPolarHBondContact O-CB 3.32Å; N2477-Q2481 WeakPolarHBondContact O-CG 3.34Å; N2477-Q2481 PolarHBondContact O-N 3.19Å; D2478-Q2481 WeakPolarHBondContact O-CB 3.37Å; D2478-Q2481 PolarHBondContact O-N 3.1Å; L2479-Q2481 VanDerWaalsContact C-N 3.33Å; L2479-Q2481 PolarHBondContact O-N 3.4Å; Q2481-Q2484 PolarHBondContact O-N 3.09Å; Q2481-R2485 HydrophobicContact CG-CG 4.49Å; Q2481-R2485 WeakPolarHBondContact O-CB 3.39Å; Q2481-R2485 WeakPolarHBondContact O-CG 3.37Å; Q2481-R2485 PolarHBondContact O-N 3.11Å; Q2481-R2485 VanDerWaalsContact O-N 3.09Å; Q2481-R2485 VanDerWaalsContact OE1-CZ 3.23Å; Q2481-R2485 VanDerWaalsContact OE1-NH1 3.17Å |
| 2482 | F | 91.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.9 | -41.2 | 173.2 | -66.2 | -44.8 | 0 | 0 | 0 | 112.8 | L2404 I2407 C2408 L2433 I2437 D2478 L2479 L2480 Q2484 R2485 Q2486 V2490 A2494 | L2404-F2482 HydrophobicContact CD1-CE2 4.27Å; L2404-F2482 HydrophobicContact CD1-CZ 4.24Å; L2404-F2482 HydrophobicContact CD2-CD2 4.39Å; L2404-F2482 HydrophobicContact CD2-CE2 3.61Å; L2404-F2482 VanDerWaalsContact CD2-CE2 3.48Å; L2404-F2482 HydrophobicContact CD2-CZ 4.3Å; L2404-F2482 HydrophobicContact CG-CE2 3.74Å; L2404-F2482 HydrophobicContact CG-CZ 4.36Å; I2407-F2482 HydrophobicContact CG2-CE1 4.42Å; I2407-F2482 HydrophobicContact CG2-CZ 4.32Å; C2408-F2482 HydrophobicContact CB-CE1 4.03Å; C2408-F2482 HydrophobicContact CB-CE2 4.36Å; C2408-F2482 HydrophobicContact CB-CZ 3.66Å; L2433-F2482 HydrophobicContact CD1-CD2 4.49Å; L2433-F2482 HydrophobicContact CD1-CE1 4.48Å; L2433-F2482 HydrophobicContact CD1-CE2 3.91Å; L2433-F2482 HydrophobicContact CD1-CZ 3.88Å; L2433-F2482 HydrophobicContact CD2-CD1 3.97Å; L2433-F2482 HydrophobicContact CD2-CD2 4.46Å; L2433-F2482 HydrophobicContact CD2-CE1 4.04Å; L2433-F2482 HydrophobicContact CD2-CE2 4.4Å; L2433-F2482 HydrophobicContact CD2-CG 4.33Å; L2433-F2482 HydrophobicContact CD2-CZ 4.07Å; I2437-F2482 HydrophobicContact CD1-CD2 4.29Å; D2478-F2482 HydrophobicContact CB-CE2 4.3Å; D2478-F2482 VanDerWaalsContact O-CD2 3.28Å; D2478-F2482 WeakPolarHBondContact O-CD2 3.38Å; D2478-F2482 WeakPolarHBondContact O-CG 3.32Å; D2478-F2482 PolarHBondContact O-N 3.06Å; L2479-F2482 HydrophobicContact CD2-CD2 4.46Å; L2479-F2482 WeakPolarHBondContact O-CB 3.09Å; L2479-F2482 PolarHBondContact O-N 2.96Å; L2479-F2482 VanDerWaalsContact O-N 3.17Å; L2480-F2482 VanDerWaalsContact C-N 3.31Å; L2480-F2482 PolarHBondContact O-N 3.06Å; F2482-Q2484 VanDerWaalsContact C-N 3.27Å; F2482-Q2484 PolarHBondContact O-N 3.05Å; F2482-R2485 PolarHBondContact O-N 3.03Å; F2482-Q2486 HydrophobicContact CB-CG 4.11Å; F2482-Q2486 HydrophobicContact CD1-CG 3.67Å; F2482-Q2486 HydrophobicContact CG-CG 4.29Å; F2482-Q2486 VanDerWaalsContact O-CB 3.29Å; F2482-Q2486 WeakPolarHBondContact O-CB 3.38Å; F2482-Q2486 PolarHBondContact O-N 3.13Å; F2482-V2490 HydrophobicContact CB-CG1 4.08Å; F2482-V2490 HydrophobicContact CG-CG1 4.44Å; F2482-A2494 HydrophobicContact CB-CB 4.38Å |
| 2483 | V | 91.4 | Very high | 90.8 | Very high | 0.4 Ų | 0.4 | 38.2 Ų | 38.2 | 0% | 0.002 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.2 | -40.5 | 174 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | L2479 L2480 V2491 A2494 L2495 L2498 F2519 T2558 | L2479-V2483 WeakPolarHBondContact O-CG2 3.41Å; L2479-V2483 PolarHBondContact O-N 3.14Å; L2480-V2483 WeakPolarHBondContact O-CB 3.35Å; L2480-V2483 PolarHBondContact O-N 3.06Å; V2483-V2491 HydrophobicContact CG1-CG1 4.31Å; V2483-V2491 HydrophobicContact CG2-CG1 4.48Å; V2483-A2494 HydrophobicContact CG2-CB 3.87Å; V2483-L2495 HydrophobicContact CG1-CD1 4.25Å; V2483-L2495 HydrophobicContact CG1-CD2 4.49Å; V2483-L2495 HydrophobicContact CG1-CG 4.39Å; V2483-L2495 HydrophobicContact CG2-CD1 4.34Å; V2483-L2495 HydrophobicContact CG2-CD2 4.13Å; V2483-L2495 HydrophobicContact CG2-CG 3.71Å; V2483-L2498 HydrophobicContact CG2-CD1 4.07Å; V2483-F2519 HydrophobicContact CG1-CE2 4.38Å; V2483-T2558 HydrophobicContact CG1-CG2 3.57Å; V2483-T2558 VanDerWaalsContact CG1-CG2 3.49Å |
| 2484 | Q | 89.8 | Confident | 91 | Very high | 63.6 Ų | 63.6 | 34.6 Ų | 34.6 | 30% | 0.297 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -75.1 | -31.7 | -179.7 | -70.1 | 174.9 | -14.3 | 0 | 0 | 114.1 | L2480 Q2481 F2482 F2519 R2554 | L2480-Q2484 WeakPolarHBondContact O-CG 3.3Å; L2480-Q2484 PolarHBondContact O-N 2.95Å; Q2481-Q2484 PolarHBondContact O-N 3.09Å; F2482-Q2484 VanDerWaalsContact C-N 3.27Å; F2482-Q2484 PolarHBondContact O-N 3.05Å; Q2484-F2519 HydrophobicContact CG-CE2 4.37Å; Q2484-F2519 HydrophobicContact CG-CZ 4.13Å; Q2484-R2554 VanDerWaalsContact O-CD 3.32Å; Q2484-R2554 WeakPolarHBondContact O-CD 3.37Å; Q2484-R2554 PolarHBondContact O-NE 3.06Å; Q2484-R2554 VanDerWaalsContact O-NE 3.16Å; Q2484-R2554 PolarHBondContact O-NH1 3.1Å; Q2484-R2554 VanDerWaalsContact O-NH1 3.15Å; Q2484-R2554 PolarHBondContact O-NH2 3.45Å |
| 2485 | R | 86.1 | Confident | 91.1 | Very high | 114 Ų | 114 | 31.1 Ų | 31.1 | 43% | 0.43 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -114.1 | -28.7 | -166.6 | -61.3 | -177 | -175.7 | 169.2 | 7.4 | 115.2 | Q2481 F2482 R2554 | Q2481-R2485 HydrophobicContact CG-CG 4.49Å; Q2481-R2485 WeakPolarHBondContact O-CB 3.39Å; Q2481-R2485 WeakPolarHBondContact O-CG 3.37Å; Q2481-R2485 PolarHBondContact O-N 3.11Å; Q2481-R2485 VanDerWaalsContact O-N 3.09Å; Q2481-R2485 VanDerWaalsContact OE1-CZ 3.23Å; Q2481-R2485 VanDerWaalsContact OE1-NH1 3.17Å; F2482-R2485 PolarHBondContact O-N 3.03Å; R2485-R2554 PolarHBondContact O-NH2 3.12Å; R2485-R2554 VanDerWaalsContact O-NH2 3.12Å |
| 2486 | Q | 87.5 | Confident | 91.1 | Very high | 24.6 Ų | 24.6 | 32.1 Ų | 32.1 | 12% | 0.115 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -89.5 | 174.1 | -170.5 | -65.4 | -66.7 | -22.3 | 0 | 0 | 113.7 | L2433 F2482 V2490 R2554 | L2433-Q2486 HydrophobicContact CD2-CG 4.4Å; F2482-Q2486 HydrophobicContact CB-CG 4.11Å; F2482-Q2486 HydrophobicContact CD1-CG 3.67Å; F2482-Q2486 HydrophobicContact CG-CG 4.29Å; F2482-Q2486 VanDerWaalsContact O-CB 3.29Å; F2482-Q2486 WeakPolarHBondContact O-CB 3.38Å; F2482-Q2486 PolarHBondContact O-N 3.13Å; Q2486-V2490 HydrophobicContact CB-CB 3.86Å; Q2486-V2490 HydrophobicContact CB-CG1 3.71Å; Q2486-V2490 HydrophobicContact CB-CG2 4.45Å; Q2486-V2490 HydrophobicContact CG-CB 4.49Å; Q2486-V2490 HydrophobicContact CG-CG1 3.96Å; Q2486-R2554 PolarHBondContact O-NH2 3.35Å |
| 2487 | G | 85.6 | Confident | 91.1 | Very high | 39.2 Ų | 39.2 | 32 Ų | 32 | 40% | 0.404 | 16% | 0.159 | S | C | . | . | trans | -80.8 | 161.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L2489 V2490 V2491 | G2487-L2489 VanDerWaalsContact C-N 3.33Å; G2487-L2489 PolarHBondContact O-N 2.93Å; G2487-L2489 VanDerWaalsContact O-N 3.1Å; G2487-V2490 PolarHBondContact O-N 3.24Å; G2487-V2491 PolarHBondContact O-N 3.13Å; G2487-V2491 VanDerWaalsContact O-N 3.14Å | ||
| 2488 | R | 88.3 | Confident | 91.2 | Very high | 142.6 Ų | 142.6 | 28.4 Ų | 28.4 | 54% | 0.538 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -35.6 | -56.1 | -173.7 | -172.8 | -172 | 175.4 | 179.7 | 0.5 | 115.1 | V2490 V2491 D2492 Y2557 | R2488-V2490 VanDerWaalsContact C-N 3.27Å; R2488-V2490 PolarHBondContact O-N 3.29Å; R2488-V2491 WeakPolarHBondContact O-CA 3.46Å; R2488-V2491 WeakPolarHBondContact O-CB 3.31Å; R2488-V2491 PolarHBondContact O-N 3.06Å; R2488-V2491 VanDerWaalsContact O-N 3.13Å; R2488-D2492 IonicContact NE-OD2 3.55Å; R2488-D2492 VanDerWaalsContact O-CG 3.29Å; R2488-D2492 PolarHBondContact O-N 3.1Å; R2488-Y2557 HydrophobicContact CG-CE1 4.16Å; R2488-Y2557 HydrophobicContact CG-CE2 4.16Å; R2488-Y2557 VanDerWaalsContact CG-CZ 3.49Å; R2488-Y2557 VanDerWaalsContact CG-OH 3.32Å; R2488-Y2557 WeakPolarHBondContact CG-OH 3.33Å; R2488-Y2557 PolarHBondContact NE-OH 3.19Å; R2488-Y2557 PolarHBondContact NH2-OH 3.08Å |
| 2489 | L | 86.7 | Confident | 91.2 | Very high | 61.2 Ų | 61.2 | 28.5 Ų | 28.5 | 32% | 0.32 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -57.3 | -38.5 | -175 | -178.5 | 79.4 | 0 | 0 | 0 | 112.9 | T2430 Q2431 Y2434 G2487 S2493 | T2430-L2489 HydrophobicContact CG2-CB 4.38Å; T2430-L2489 HydrophobicContact CG2-CD2 4.5Å; Q2431-L2489 HydrophobicContact CG-CD2 4.49Å; Y2434-L2489 HydrophobicContact CD1-CD1 4.43Å; Y2434-L2489 HydrophobicContact CD1-CD2 4.37Å; Y2434-L2489 HydrophobicContact CD1-CG 4.46Å; Y2434-L2489 HydrophobicContact CD2-CD1 3.71Å; Y2434-L2489 HydrophobicContact CD2-CD2 4.25Å; Y2434-L2489 HydrophobicContact CD2-CG 3.75Å; Y2434-L2489 HydrophobicContact CE1-CD1 4.5Å; Y2434-L2489 HydrophobicContact CE2-CD1 3.84Å; Y2434-L2489 HydrophobicContact CE2-CG 4.39Å; Y2434-L2489 HydrophobicContact CG-CD1 4.11Å; Y2434-L2489 HydrophobicContact CG-CD2 3.89Å; Y2434-L2489 HydrophobicContact CG-CG 3.9Å; G2487-L2489 VanDerWaalsContact C-N 3.33Å; G2487-L2489 PolarHBondContact O-N 2.93Å; G2487-L2489 VanDerWaalsContact O-N 3.1Å; L2489-S2493 PolarHBondContact O-N 3.3Å; L2489-S2493 PolarHBondContact O-OG 3.12Å |
| 2490 | V | 90.8 | Very high | 91 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -77.5 | -36.9 | 178.4 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | T2430 L2433 I2437 F2482 Q2486 G2487 R2488 D2492 S2493 A2494 | T2430-V2490 HydrophobicContact CG2-CG2 3.86Å; T2430-V2490 WeakPolarHBondContact O-CG2 3.42Å; L2433-V2490 HydrophobicContact CB-CG1 4.45Å; L2433-V2490 HydrophobicContact CB-CG2 4.14Å; L2433-V2490 HydrophobicContact CD2-CG1 3.67Å; L2433-V2490 HydrophobicContact CD2-CG2 4.06Å; L2433-V2490 HydrophobicContact CG-CG1 4.06Å; L2433-V2490 HydrophobicContact CG-CG2 4.21Å; I2437-V2490 HydrophobicContact CD1-CG1 3.81Å; F2482-V2490 HydrophobicContact CB-CG1 4.08Å; F2482-V2490 HydrophobicContact CG-CG1 4.44Å; Q2486-V2490 HydrophobicContact CB-CB 3.86Å; Q2486-V2490 HydrophobicContact CB-CG1 3.71Å; Q2486-V2490 HydrophobicContact CB-CG2 4.45Å; Q2486-V2490 HydrophobicContact CG-CB 4.49Å; Q2486-V2490 HydrophobicContact CG-CG1 3.96Å; G2487-V2490 PolarHBondContact O-N 3.24Å; R2488-V2490 VanDerWaalsContact C-N 3.27Å; R2488-V2490 PolarHBondContact O-N 3.29Å; V2490-D2492 VanDerWaalsContact C-N 3.33Å; V2490-D2492 PolarHBondContact O-N 3.1Å; V2490-S2493 WeakPolarHBondContact CA-OG 3.31Å; V2490-S2493 PolarHBondContact O-N 3.28Å; V2490-S2493 PolarHBondContact O-OG 3.25Å; V2490-S2493 VanDerWaalsContact O-OG 3.1Å; V2490-A2494 WeakPolarHBondContact O-CB 3.4Å; V2490-A2494 PolarHBondContact O-N 3.13Å |
| 2491 | V | 92.1 | Very high | 91 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 3% | 0.03 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.2 | -44 | 176.1 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | V2483 G2487 R2488 S2493 A2494 L2495 Y2557 L2561 | V2483-V2491 HydrophobicContact CG1-CG1 4.31Å; V2483-V2491 HydrophobicContact CG2-CG1 4.48Å; G2487-V2491 PolarHBondContact O-N 3.13Å; G2487-V2491 VanDerWaalsContact O-N 3.14Å; R2488-V2491 WeakPolarHBondContact O-CA 3.46Å; R2488-V2491 WeakPolarHBondContact O-CB 3.31Å; R2488-V2491 PolarHBondContact O-N 3.06Å; R2488-V2491 VanDerWaalsContact O-N 3.13Å; V2491-S2493 PolarHBondContact O-N 2.65Å; V2491-A2494 PolarHBondContact O-N 3.14Å; V2491-L2495 HydrophobicContact CG1-CD1 4.07Å; V2491-L2495 WeakPolarHBondContact O-CB 3.47Å; V2491-L2495 PolarHBondContact O-N 3.24Å; V2491-Y2557 HydrophobicContact CG1-CE1 4.34Å; V2491-L2561 HydrophobicContact CG1-CD2 4.18Å |
| 2492 | D | 91.1 | Very high | 90.9 | Very high | 42 Ų | 42 | 26 Ų | 26 | 23% | 0.225 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.2 | -48.2 | 178.9 | -66.3 | -7 | 0 | 0 | 0 | 111.8 | R2488 V2490 S2496 Y2557 L2561 | R2488-D2492 IonicContact NE-OD2 3.55Å; R2488-D2492 VanDerWaalsContact O-CG 3.29Å; R2488-D2492 PolarHBondContact O-N 3.1Å; V2490-D2492 VanDerWaalsContact C-N 3.33Å; V2490-D2492 PolarHBondContact O-N 3.1Å; D2492-S2496 WeakPolarHBondContact O-CB 3.48Å; D2492-S2496 PolarHBondContact O-N 3.07Å; D2492-S2496 VanDerWaalsContact O-N 3.12Å; D2492-Y2557 VanDerWaalsContact CG-OH 3.23Å; D2492-Y2557 VanDerWaalsContact OD1-CE1 3.27Å; D2492-Y2557 WeakPolarHBondContact OD1-CE1 3.44Å; D2492-Y2557 VanDerWaalsContact OD1-CZ 3.3Å; D2492-Y2557 PolarHBondContact OD1-OH 3.21Å; D2492-Y2557 PolarHBondContact OD2-OH 3Å; D2492-Y2557 VanDerWaalsContact OD2-OH 3.09Å; D2492-L2561 VanDerWaalsContact OD1-CD2 3.23Å; D2492-L2561 WeakPolarHBondContact OD1-CD2 3.14Å |
| 2493 | S | 91.4 | Very high | 90.7 | Very high | 4.6 Ų | 4.6 | 28.6 Ų | 28.6 | 3% | 0.032 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.1 | -39.1 | 176.1 | 48.7 | 0 | 0 | 0 | 0 | 112.6 | I2437 N2438 L2489 V2490 V2491 L2495 S2496 C2497 | I2437-S2493 VanDerWaalsContact CG2-O 3.3Å; I2437-S2493 WeakPolarHBondContact CG2-O 3.37Å; N2438-S2493 VanDerWaalsContact OD1-CB 3.29Å; N2438-S2493 WeakPolarHBondContact OD1-CB 3.28Å; L2489-S2493 PolarHBondContact O-N 3.3Å; L2489-S2493 PolarHBondContact O-OG 3.12Å; V2490-S2493 WeakPolarHBondContact CA-OG 3.31Å; V2490-S2493 PolarHBondContact O-N 3.28Å; V2490-S2493 PolarHBondContact O-OG 3.25Å; V2490-S2493 VanDerWaalsContact O-OG 3.1Å; V2491-S2493 PolarHBondContact O-N 2.65Å; S2493-L2495 PolarHBondContact O-N 3.19Å; S2493-S2496 PolarHBondContact O-N 3.12Å; S2493-C2497 VanDerWaalsContact O-CB 3.28Å; S2493-C2497 WeakPolarHBondContact O-CB 3.32Å; S2493-C2497 PolarHBondContact O-N 3.18Å |
| 2494 | A | 95 | Very high | 90.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.8 | -41.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I2437 L2479 F2482 V2483 V2490 V2491 C2497 L2498 | I2437-A2494 HydrophobicContact CD1-CB 4.32Å; L2479-A2494 HydrophobicContact CD2-CB 4.11Å; F2482-A2494 HydrophobicContact CB-CB 4.38Å; V2483-A2494 HydrophobicContact CG2-CB 3.87Å; V2490-A2494 WeakPolarHBondContact O-CB 3.4Å; V2490-A2494 PolarHBondContact O-N 3.13Å; V2491-A2494 PolarHBondContact O-N 3.14Å; A2494-C2497 PolarHBondContact O-N 3.15Å; A2494-L2498 VanDerWaalsContact O-CB 3.29Å; A2494-L2498 WeakPolarHBondContact O-CB 3.23Å; A2494-L2498 VanDerWaalsContact O-CG 3.31Å; A2494-L2498 WeakPolarHBondContact O-CG 3.27Å; A2494-L2498 PolarHBondContact O-N 3.27Å |
| 2495 | L | 94.4 | Very high | 90.2 | Very high | 1.2 Ų | 1.2 | 29.7 Ų | 29.7 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70 | -35.2 | 176.1 | -82.2 | 166 | 0 | 0 | 0 | 112.8 | V2483 V2491 S2493 L2498 A2499 T2558 L2561 I2562 Y2565 F2566 | V2483-L2495 HydrophobicContact CG1-CD1 4.25Å; V2483-L2495 HydrophobicContact CG1-CD2 4.49Å; V2483-L2495 HydrophobicContact CG1-CG 4.39Å; V2483-L2495 HydrophobicContact CG2-CD1 4.34Å; V2483-L2495 HydrophobicContact CG2-CD2 4.13Å; V2483-L2495 HydrophobicContact CG2-CG 3.71Å; V2491-L2495 HydrophobicContact CG1-CD1 4.07Å; V2491-L2495 WeakPolarHBondContact O-CB 3.47Å; V2491-L2495 PolarHBondContact O-N 3.24Å; S2493-L2495 PolarHBondContact O-N 3.19Å; L2495-L2498 HydrophobicContact CD2-CD1 4.23Å; L2495-L2498 HydrophobicContact CD2-CD2 4.13Å; L2495-L2498 PolarHBondContact O-N 3.33Å; L2495-A2499 VanDerWaalsContact O-CB 3.3Å; L2495-A2499 WeakPolarHBondContact O-CB 3.28Å; L2495-A2499 PolarHBondContact O-N 3.24Å; L2495-T2558 HydrophobicContact CD1-CG2 4.21Å; L2495-L2561 HydrophobicContact CB-CD2 4.44Å; L2495-L2561 HydrophobicContact CB-CG 4.44Å; L2495-L2561 HydrophobicContact CD1-CB 4.01Å; L2495-L2561 HydrophobicContact CD1-CD2 3.54Å; L2495-L2561 VanDerWaalsContact CD1-CD2 3.46Å; L2495-L2561 HydrophobicContact CD1-CG 3.63Å; L2495-L2561 HydrophobicContact CG-CD2 4.5Å; L2495-I2562 HydrophobicContact CD1-CG1 4.21Å; L2495-I2562 HydrophobicContact CD2-CG1 3.77Å; L2495-Y2565 HydrophobicContact CB-CD2 3.99Å; L2495-Y2565 HydrophobicContact CB-CE2 4.12Å; L2495-F2566 HydrophobicContact CD2-CE2 4.2Å |
| 2496 | S | 92.4 | Very high | 90.2 | Very high | 23.2 Ų | 23.2 | 24.7 Ų | 24.7 | 16% | 0.162 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.4 | -49.4 | 173.3 | -157.9 | 0 | 0 | 0 | 0 | 111.1 | E2441 D2492 S2493 L2498 A2499 V2500 Y2565 | E2441-S2496 VanDerWaalsContact OE1-CB 3.31Å; E2441-S2496 WeakPolarHBondContact OE1-CB 3.3Å; E2441-S2496 PolarHBondContact OE1-OG 3.21Å; E2441-S2496 WeakPolarHBondContact OE2-CB 3.41Å; D2492-S2496 WeakPolarHBondContact O-CB 3.48Å; D2492-S2496 PolarHBondContact O-N 3.07Å; D2492-S2496 VanDerWaalsContact O-N 3.12Å; S2493-S2496 PolarHBondContact O-N 3.12Å; S2496-L2498 VanDerWaalsContact C-N 3.32Å; S2496-L2498 PolarHBondContact O-N 3.27Å; S2496-A2499 VanDerWaalsContact O-CB 3.3Å; S2496-A2499 WeakPolarHBondContact O-CB 3.35Å; S2496-A2499 PolarHBondContact O-N 2.97Å; S2496-A2499 VanDerWaalsContact O-N 3.12Å; S2496-V2500 PolarHBondContact O-N 3.23Å; S2496-Y2565 WeakPolarHBondContact CB-OH 3.35Å; S2496-Y2565 WeakPolarHBondContact OG-CE1 3.26Å; S2496-Y2565 PolarHBondContact OG-OH 3.26Å; S2496-Y2565 VanDerWaalsContact OG-OH 3.1Å |
| 2497 | C | 94.6 | Very high | 90 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 174.9 | -171.9 | 0 | 0 | 0 | 0 | 112.6 | I2437 E2441 L2479 S2493 A2494 A2499 V2500 L2501 | I2437-C2497 HydrophobicContact CG2-CB 3.57Å; E2441-C2497 HydrophobicContact CB-CB 3.88Å; E2441-C2497 HydrophobicContact CG-CB 4.29Å; E2441-C2497 PolarHBondContact OE2-N 3.13Å; L2479-C2497 HydrophobicContact CD1-CB 4.22Å; L2479-C2497 HydrophobicContact CD2-CB 4.39Å; S2493-C2497 VanDerWaalsContact O-CB 3.28Å; S2493-C2497 WeakPolarHBondContact O-CB 3.32Å; S2493-C2497 PolarHBondContact O-N 3.18Å; A2494-C2497 PolarHBondContact O-N 3.15Å; C2497-A2499 VanDerWaalsContact C-N 3.29Å; C2497-A2499 PolarHBondContact O-N 3.16Å; C2497-V2500 PolarHBondContact O-N 2.96Å; C2497-L2501 WeakPolarHBondContact O-CB 3.34Å; C2497-L2501 PolarHBondContact O-N 3.08Å |
| 2498 | L | 94.7 | Very high | 90 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.1 | -37.3 | 175.5 | -155.7 | 89.2 | 0 | 0 | 0 | 111.2 | Q2476 L2479 L2480 V2483 A2494 L2495 S2496 V2500 L2501 V2502 V2512 F2566 | Q2476-L2498 HydrophobicContact CB-CD1 4.47Å; Q2476-L2498 HydrophobicContact CG-CD1 3.9Å; Q2476-L2498 HydrophobicContact CG-CD2 4.04Å; L2479-L2498 HydrophobicContact CB-CB 4.48Å; L2479-L2498 HydrophobicContact CB-CD1 3.98Å; L2479-L2498 HydrophobicContact CB-CD2 3.72Å; L2479-L2498 HydrophobicContact CB-CG 3.53Å; L2479-L2498 HydrophobicContact CD1-CB 4.29Å; L2479-L2498 HydrophobicContact CD1-CD1 4.2Å; L2479-L2498 HydrophobicContact CD1-CD2 3.94Å; L2479-L2498 HydrophobicContact CD1-CG 3.84Å; L2479-L2498 HydrophobicContact CG-CD2 4.49Å; L2479-L2498 HydrophobicContact CG-CG 4.32Å; L2480-L2498 HydrophobicContact CD2-CD1 4.21Å; L2480-L2498 HydrophobicContact CD2-CD2 3.81Å; L2480-L2498 HydrophobicContact CG-CD1 4.23Å; L2480-L2498 HydrophobicContact CG-CD2 4.23Å; V2483-L2498 HydrophobicContact CG2-CD1 4.07Å; A2494-L2498 VanDerWaalsContact O-CB 3.29Å; A2494-L2498 WeakPolarHBondContact O-CB 3.23Å; A2494-L2498 VanDerWaalsContact O-CG 3.31Å; A2494-L2498 WeakPolarHBondContact O-CG 3.27Å; A2494-L2498 PolarHBondContact O-N 3.27Å; L2495-L2498 HydrophobicContact CD2-CD1 4.23Å; L2495-L2498 HydrophobicContact CD2-CD2 4.13Å; L2495-L2498 PolarHBondContact O-N 3.33Å; S2496-L2498 VanDerWaalsContact C-N 3.32Å; S2496-L2498 PolarHBondContact O-N 3.27Å; L2498-V2500 VanDerWaalsContact C-N 3.34Å; L2498-V2500 PolarHBondContact O-N 3.2Å; L2498-L2501 HydrophobicContact CD1-CD2 4.42Å; L2498-L2501 PolarHBondContact O-N 3.33Å; L2498-V2502 HydrophobicContact CD1-CG2 4.03Å; L2498-V2502 HydrophobicContact CD2-CG2 4.33Å; L2498-V2502 HydrophobicContact CG-CG2 4.1Å; L2498-V2502 WeakPolarHBondContact O-CB 3.33Å; L2498-V2502 WeakPolarHBondContact O-CG2 3.34Å; L2498-V2502 PolarHBondContact O-N 3.04Å; L2498-V2512 HydrophobicContact CD2-CB 4.38Å; L2498-V2512 HydrophobicContact CD2-CG1 4.28Å; L2498-V2512 HydrophobicContact CD2-CG2 3.83Å; L2498-V2512 HydrophobicContact CG-CG2 4.23Å; L2498-F2566 HydrophobicContact CB-CZ 4.29Å; L2498-F2566 HydrophobicContact CD2-CE2 4.28Å; L2498-F2566 HydrophobicContact CD2-CZ 4.18Å; L2498-F2566 HydrophobicContact CG-CZ 4.13Å |
| 2499 | A | 91.9 | Very high | 89.8 | Confident | 9.6 Ų | 9.6 | 27.1 Ų | 27.1 | 8% | 0.079 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | L2495 S2496 C2497 N2503 Y2565 F2566 | L2495-A2499 VanDerWaalsContact O-CB 3.3Å; L2495-A2499 WeakPolarHBondContact O-CB 3.28Å; L2495-A2499 PolarHBondContact O-N 3.24Å; S2496-A2499 VanDerWaalsContact O-CB 3.3Å; S2496-A2499 WeakPolarHBondContact O-CB 3.35Å; S2496-A2499 PolarHBondContact O-N 2.97Å; S2496-A2499 VanDerWaalsContact O-N 3.12Å; C2497-A2499 VanDerWaalsContact C-N 3.29Å; C2497-A2499 PolarHBondContact O-N 3.16Å; A2499-N2503 WeakPolarHBondContact O-CB 3.39Å; A2499-N2503 VanDerWaalsContact O-CG 3.29Å; A2499-N2503 PolarHBondContact O-N 3.27Å; A2499-N2503 PolarHBondContact O-ND2 3.27Å; A2499-N2503 VanDerWaalsContact O-ND2 3.15Å; A2499-Y2565 HydrophobicContact CB-CD1 3.87Å; A2499-Y2565 HydrophobicContact CB-CE1 4.5Å; A2499-Y2565 HydrophobicContact CB-CG 3.98Å; A2499-F2566 VanDerWaalsContact CA-CZ 3.5Å; A2499-F2566 HydrophobicContact CB-CE1 4.46Å; A2499-F2566 HydrophobicContact CB-CE2 4.37Å; A2499-F2566 HydrophobicContact CB-CZ 4.03Å |
| 2500 | V | 91 | Very high | 89.9 | Confident | 13.4 Ų | 13.4 | 27.5 Ų | 27.5 | 8% | 0.081 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.7 | -50.6 | 174.1 | 178.9 | 0 | 0 | 0 | 0 | 110.3 | E2441 L2444 S2496 C2497 L2498 V2502 Q2504 V2505 | E2441-V2500 HydrophobicContact CG-CG2 4.01Å; L2444-V2500 HydrophobicContact CB-CG1 3.87Å; S2496-V2500 PolarHBondContact O-N 3.23Å; C2497-V2500 PolarHBondContact O-N 2.96Å; L2498-V2500 VanDerWaalsContact C-N 3.34Å; L2498-V2500 PolarHBondContact O-N 3.2Å; V2500-V2502 PolarHBondContact O-N 2.89Å; V2500-Q2504 VanDerWaalsContact O-CB 3.3Å; V2500-Q2504 WeakPolarHBondContact O-CB 3.27Å; V2500-Q2504 PolarHBondContact O-N 3.21Å; V2500-Q2504 VanDerWaalsContact O-N 3.11Å; V2500-V2505 PolarHBondContact O-N 3.03Å |
| 2501 | L | 92.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -56.7 | -51 | -179.2 | -179.4 | 62.7 | 0 | 0 | 0 | 112.2 | L2444 F2472 L2475 Q2476 L2479 C2497 L2498 V2505 L2506 | L2444-L2501 HydrophobicContact CD1-CB 4.01Å; L2444-L2501 HydrophobicContact CD1-CD1 4.07Å; L2444-L2501 HydrophobicContact CD1-CG 4.46Å; L2444-L2501 HydrophobicContact CD2-CD1 4.19Å; F2472-L2501 HydrophobicContact CB-CD1 4.15Å; F2472-L2501 HydrophobicContact CD1-CD1 3.9Å; F2472-L2501 HydrophobicContact CG-CD1 4.47Å; L2475-L2501 HydrophobicContact CB-CD2 4.3Å; L2475-L2501 HydrophobicContact CD2-CD1 4.33Å; L2475-L2501 HydrophobicContact CD2-CD2 3.95Å; L2475-L2501 HydrophobicContact CG-CD2 3.92Å; Q2476-L2501 HydrophobicContact CB-CD2 3.97Å; L2479-L2501 HydrophobicContact CD1-CD2 4.05Å; C2497-L2501 WeakPolarHBondContact O-CB 3.34Å; C2497-L2501 PolarHBondContact O-N 3.08Å; L2498-L2501 HydrophobicContact CD1-CD2 4.42Å; L2498-L2501 PolarHBondContact O-N 3.33Å; L2501-V2505 HydrophobicContact CD1-CB 4.35Å; L2501-V2505 HydrophobicContact CD1-CG1 4.5Å; L2501-V2505 CarbonylContact O-C 3.45Å; L2501-V2505 WeakPolarHBondContact O-CA 3.4Å; L2501-V2505 VanDerWaalsContact O-CB 3.29Å; L2501-V2505 WeakPolarHBondContact O-CB 3.35Å; L2501-V2505 PolarHBondContact O-N 3.15Å; L2501-V2505 VanDerWaalsContact O-N 3.16Å; L2501-L2506 HydrophobicContact CD1-CD1 4.19Å; L2501-L2506 HydrophobicContact CD1-CG 4.15Å; L2501-L2506 HydrophobicContact CD2-CD1 4.32Å; L2501-L2506 HydrophobicContact CG-CD1 3.89Å; L2501-L2506 HydrophobicContact CG-CG 4.24Å; L2501-L2506 PolarHBondContact O-N 3.21Å |
| 2502 | V | 90.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -78.3 | -48.3 | -173.2 | 163.7 | 0 | 0 | 0 | 0 | 111.6 | Q2476 L2498 V2500 Q2504 K2507 D2508 Q2509 V2512 F2566 | Q2476-V2502 HydrophobicContact CG-CG2 4.15Å; L2498-V2502 HydrophobicContact CD1-CG2 4.03Å; L2498-V2502 HydrophobicContact CD2-CG2 4.33Å; L2498-V2502 HydrophobicContact CG-CG2 4.1Å; L2498-V2502 WeakPolarHBondContact O-CB 3.33Å; L2498-V2502 WeakPolarHBondContact O-CG2 3.34Å; L2498-V2502 PolarHBondContact O-N 3.04Å; V2500-V2502 PolarHBondContact O-N 2.89Å; V2502-Q2504 PolarHBondContact O-N 3.22Å; V2502-K2507 WeakPolarHBondContact O-CA 3.31Å; V2502-K2507 PolarHBondContact O-N 3.09Å; V2502-D2508 VanDerWaalsContact CG1-O 3.28Å; V2502-D2508 WeakPolarHBondContact CG1-O 3.33Å; V2502-Q2509 HydrophobicContact CG1-CB 4.19Å; V2502-Q2509 HydrophobicContact CG1-CG 3.52Å; V2502-Q2509 VanDerWaalsContact CG1-CG 3.49Å; V2502-V2512 HydrophobicContact CB-CG2 4.44Å; V2502-V2512 HydrophobicContact CG1-CG2 4.23Å; V2502-V2512 HydrophobicContact CG2-CG2 3.91Å; V2502-F2566 HydrophobicContact CB-CE1 3.98Å; V2502-F2566 HydrophobicContact CG1-CD1 4.43Å; V2502-F2566 HydrophobicContact CG1-CE1 3.84Å |
| 2503 | N | 87.2 | Confident | 89.5 | Confident | 55 Ų | 55 | 30.6 Ų | 30.6 | 29% | 0.294 | 16% | 0.156 | S | C | . | . | I | π-helix | trans | -77.5 | -29 | -172.8 | -60 | -37.1 | 0 | 0 | 0 | 112.6 | A2499 Q2509 Y2565 F2566 | A2499-N2503 WeakPolarHBondContact O-CB 3.39Å; A2499-N2503 VanDerWaalsContact O-CG 3.29Å; A2499-N2503 PolarHBondContact O-N 3.27Å; A2499-N2503 PolarHBondContact O-ND2 3.27Å; A2499-N2503 VanDerWaalsContact O-ND2 3.15Å; N2503-Q2509 PolarHBondContact OD1-NE2 3.14Å; N2503-Y2565 PolarHBondContact ND2-O 3.1Å; N2503-F2566 WeakPolarHBondContact OD1-CD1 3.39Å |
| 2504 | Q | 85.7 | Confident | 89.4 | Confident | 76.4 Ų | 76.4 | 32.8 Ų | 32.8 | 36% | 0.357 | 17% | 0.171 | S | C | . | . | I | π-helix | trans | -109.7 | -38.5 | -172.7 | -50.2 | -178 | 1.3 | 0 | 0 | 113.2 | A2448 V2500 V2502 K2507 | A2448-Q2504 HydrophobicContact CB-CB 3.63Å; A2448-Q2504 HydrophobicContact CB-CG 4.47Å; V2500-Q2504 VanDerWaalsContact O-CB 3.3Å; V2500-Q2504 WeakPolarHBondContact O-CB 3.27Å; V2500-Q2504 PolarHBondContact O-N 3.21Å; V2500-Q2504 VanDerWaalsContact O-N 3.11Å; V2502-Q2504 PolarHBondContact O-N 3.22Å; Q2504-K2507 VanDerWaalsContact O-CE 3.26Å; Q2504-K2507 WeakPolarHBondContact O-CE 3.27Å |
| 2505 | V | 84.8 | Confident | 89.2 | Confident | 10.8 Ų | 10.8 | 33 Ų | 33 | 7% | 0.065 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -96.6 | -56.3 | -173.8 | -175 | 0 | 0 | 0 | 0 | 112.7 | L2444 A2448 L2451 F2464 F2472 V2500 L2501 | L2444-V2505 HydrophobicContact CD2-CG2 4.48Å; A2448-V2505 HydrophobicContact CB-CG2 4.23Å; L2451-V2505 HydrophobicContact CD1-CG1 4.44Å; F2464-V2505 HydrophobicContact CE1-CG1 3.96Å; F2464-V2505 HydrophobicContact CZ-CG1 4.25Å; F2472-V2505 HydrophobicContact CD1-CG1 4.42Å; V2500-V2505 PolarHBondContact O-N 3.03Å; L2501-V2505 HydrophobicContact CD1-CB 4.35Å; L2501-V2505 HydrophobicContact CD1-CG1 4.5Å; L2501-V2505 CarbonylContact O-C 3.45Å; L2501-V2505 WeakPolarHBondContact O-CA 3.4Å; L2501-V2505 VanDerWaalsContact O-CB 3.29Å; L2501-V2505 WeakPolarHBondContact O-CB 3.35Å; L2501-V2505 PolarHBondContact O-N 3.15Å; L2501-V2505 VanDerWaalsContact O-N 3.16Å |
| 2506 | L | 86.1 | Confident | 89.1 | Confident | 10.6 Ų | 10.6 | 33.3 Ų | 33.3 | 6% | 0.055 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -81.3 | -36 | -176.5 | -66.9 | 177.8 | 0 | 0 | 0 | 112.9 | F2472 F2473 Q2476 L2501 D2508 | F2472-L2506 HydrophobicContact CB-CD2 3.84Å; F2472-L2506 HydrophobicContact CB-CG 4.47Å; F2473-L2506 HydrophobicContact CD1-CD1 4.17Å; F2473-L2506 HydrophobicContact CD1-CD2 4.26Å; F2473-L2506 HydrophobicContact CD2-CD2 4.38Å; F2473-L2506 HydrophobicContact CE1-CD1 4.34Å; F2473-L2506 HydrophobicContact CE1-CD2 4.02Å; F2473-L2506 HydrophobicContact CE2-CD2 4.15Å; F2473-L2506 HydrophobicContact CG-CD2 4.42Å; F2473-L2506 HydrophobicContact CZ-CD2 3.98Å; Q2476-L2506 HydrophobicContact CB-CD1 4.13Å; Q2476-L2506 HydrophobicContact CG-CD1 4.37Å; L2501-L2506 HydrophobicContact CD1-CD1 4.19Å; L2501-L2506 HydrophobicContact CD1-CG 4.15Å; L2501-L2506 HydrophobicContact CD2-CD1 4.32Å; L2501-L2506 HydrophobicContact CG-CD1 3.89Å; L2501-L2506 HydrophobicContact CG-CG 4.24Å; L2501-L2506 PolarHBondContact O-N 3.21Å; L2506-D2508 PolarHBondContact O-N 3.01Å |
| 2507 | K | 83.8 | Confident | 89 | Confident | 159.2 Ų | 159.2 | 34.4 Ų | 34.4 | 69% | 0.692 | 18% | 0.184 | S | C | * | . | trans | 57.7 | 28.1 | -172.5 | -57.2 | -179 | -179.4 | 178.6 | 0 | 113.7 | V2502 Q2504 | V2502-K2507 WeakPolarHBondContact O-CA 3.31Å; V2502-K2507 PolarHBondContact O-N 3.09Å; Q2504-K2507 VanDerWaalsContact O-CE 3.26Å; Q2504-K2507 WeakPolarHBondContact O-CE 3.27Å | ||
| 2508 | D | 84.5 | Confident | 88.9 | Confident | 53.8 Ų | 53.8 | 40 Ų | 40 | 29% | 0.288 | 21% | 0.21 | S | C | . | . | trans | -127 | 108 | 176.5 | 176.9 | 14.2 | 0 | 0 | 0 | 111.7 | Q2476 V2502 L2506 T2510 | Q2476-D2508 PolarHBondContact NE2-O 3.02Å; V2502-D2508 VanDerWaalsContact CG1-O 3.28Å; V2502-D2508 WeakPolarHBondContact CG1-O 3.33Å; L2506-D2508 PolarHBondContact O-N 3.01Å; D2508-T2510 VanDerWaalsContact CG-OG1 3.31Å; D2508-T2510 VanDerWaalsContact OD1-CB 3.28Å; D2508-T2510 WeakPolarHBondContact OD1-CB 3.45Å; D2508-T2510 WeakPolarHBondContact OD1-CG2 3.28Å; D2508-T2510 PolarHBondContact OD1-N 3.17Å; D2508-T2510 PolarHBondContact OD1-OG1 3.28Å; D2508-T2510 VanDerWaalsContact OD1-OG1 3.13Å; D2508-T2510 PolarHBondContact OD2-OG1 2.86Å | ||
| 2509 | Q | 85.4 | Confident | 88.8 | Confident | 43.6 Ų | 43.6 | 40.9 Ų | 40.9 | 20% | 0.204 | 21% | 0.214 | C | C | . | . | trans | -89.3 | -2.8 | -179.7 | -70.6 | 176.7 | -10.1 | 0 | 0 | 114.2 | V2502 N2503 Q2511 V2512 I2513 F2566 T2567 | V2502-Q2509 HydrophobicContact CG1-CB 4.19Å; V2502-Q2509 HydrophobicContact CG1-CG 3.52Å; V2502-Q2509 VanDerWaalsContact CG1-CG 3.49Å; N2503-Q2509 PolarHBondContact OD1-NE2 3.14Å; Q2509-Q2511 PolarHBondContact O-N 3.17Å; Q2509-V2512 WeakPolarHBondContact O-CA 3.42Å; Q2509-V2512 WeakPolarHBondContact O-CB 3.33Å; Q2509-V2512 PolarHBondContact O-N 3.21Å; Q2509-V2512 VanDerWaalsContact O-N 3.08Å; Q2509-I2513 HydrophobicContact CB-CD1 3.89Å; Q2509-I2513 HydrophobicContact CB-CG1 4.31Å; Q2509-I2513 WeakPolarHBondContact O-CG1 3.24Å; Q2509-I2513 PolarHBondContact O-N 3.21Å; Q2509-F2566 HydrophobicContact CG-CD1 4.44Å; Q2509-T2567 PolarHBondContact OE1-O 3.09Å | ||
| 2510 | T | 87.9 | Confident | 88.8 | Confident | 68.2 Ų | 68.2 | 41.5 Ų | 41.5 | 42% | 0.418 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -53.9 | -49.5 | -168.7 | -42.8 | 0 | 0 | 0 | 0 | 113 | D2508 V2512 I2513 C2514 F2572 | D2508-T2510 VanDerWaalsContact CG-OG1 3.31Å; D2508-T2510 VanDerWaalsContact OD1-CB 3.28Å; D2508-T2510 WeakPolarHBondContact OD1-CB 3.45Å; D2508-T2510 WeakPolarHBondContact OD1-CG2 3.28Å; D2508-T2510 PolarHBondContact OD1-N 3.17Å; D2508-T2510 PolarHBondContact OD1-OG1 3.28Å; D2508-T2510 VanDerWaalsContact OD1-OG1 3.13Å; D2508-T2510 PolarHBondContact OD2-OG1 2.86Å; T2510-V2512 VanDerWaalsContact C-N 3.32Å; T2510-V2512 PolarHBondContact O-N 3.2Å; T2510-I2513 PolarHBondContact O-N 3.03Å; T2510-C2514 PolarHBondContact O-N 3.1Å; T2510-C2514 PolarHBondContact O-SG 3.22Å; T2510-C2514 VanDerWaalsContact O-SG 3.34Å; T2510-F2572 HydrophobicContact CG2-CZ 4.47Å |
| 2511 | Q | 88.3 | Confident | 88.8 | Confident | 80.8 Ų | 80.8 | 41.8 Ų | 41.8 | 38% | 0.378 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.7 | -33.4 | -179.8 | -63 | -78.2 | -21.2 | 0 | 0 | 113.2 | Q2476 N2477 L2480 Q2509 C2514 C2515 | Q2476-Q2511 VanDerWaalsContact CG-OE1 3.28Å; N2477-Q2511 PolarHBondContact OD1-NE2 2.94Å; N2477-Q2511 PolarHBondContact OD1-OE1 3.19Å; L2480-Q2511 HydrophobicContact CD1-CB 3.63Å; Q2509-Q2511 PolarHBondContact O-N 3.17Å; Q2511-C2514 PolarHBondContact O-N 3.19Å; Q2511-C2515 WeakPolarHBondContact O-CB 3.42Å; Q2511-C2515 PolarHBondContact O-N 3.33Å |
| 2512 | V | 89.7 | Confident | 88.7 | Confident | 1.4 Ų | 1.4 | 45.1 Ų | 45.1 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.7 | -40.9 | 177 | -172.4 | 0 | 0 | 0 | 0 | 110.2 | L2498 V2502 Q2509 T2510 C2514 C2515 F2516 I2562 F2566 | L2498-V2512 HydrophobicContact CD2-CB 4.38Å; L2498-V2512 HydrophobicContact CD2-CG1 4.28Å; L2498-V2512 HydrophobicContact CD2-CG2 3.83Å; L2498-V2512 HydrophobicContact CG-CG2 4.23Å; V2502-V2512 HydrophobicContact CB-CG2 4.44Å; V2502-V2512 HydrophobicContact CG1-CG2 4.23Å; V2502-V2512 HydrophobicContact CG2-CG2 3.91Å; Q2509-V2512 WeakPolarHBondContact O-CA 3.42Å; Q2509-V2512 WeakPolarHBondContact O-CB 3.33Å; Q2509-V2512 PolarHBondContact O-N 3.21Å; Q2509-V2512 VanDerWaalsContact O-N 3.08Å; T2510-V2512 VanDerWaalsContact C-N 3.32Å; T2510-V2512 PolarHBondContact O-N 3.2Å; V2512-C2514 VanDerWaalsContact C-N 3.35Å; V2512-C2515 WeakPolarHBondContact O-CB 3.28Å; V2512-C2515 PolarHBondContact O-N 3.14Å; V2512-F2516 WeakPolarHBondContact O-CB 3.32Å; V2512-F2516 PolarHBondContact O-N 3.23Å; V2512-I2562 HydrophobicContact CG1-CG2 4.37Å; V2512-F2566 HydrophobicContact CB-CE1 4.46Å; V2512-F2566 HydrophobicContact CG1-CD1 4.14Å; V2512-F2566 HydrophobicContact CG1-CD2 3.83Å; V2512-F2566 HydrophobicContact CG1-CE1 4.07Å; V2512-F2566 HydrophobicContact CG1-CE2 3.76Å; V2512-F2566 HydrophobicContact CG1-CG 4.02Å; V2512-F2566 HydrophobicContact CG1-CZ 3.87Å; V2512-F2566 HydrophobicContact CG2-CE1 4.13Å; V2512-F2566 HydrophobicContact CG2-CZ 4.16Å |
| 2513 | I | 88.3 | Confident | 88.9 | Confident | 31.4 Ų | 31.4 | 45.1 Ų | 45.1 | 16% | 0.161 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64 | -41.3 | 175.3 | -65.2 | 163.6 | 0 | 0 | 0 | 110.4 | Q2509 T2510 C2515 F2516 A2517 L2568 S2571 F2572 | Q2509-I2513 HydrophobicContact CB-CD1 3.89Å; Q2509-I2513 HydrophobicContact CB-CG1 4.31Å; Q2509-I2513 WeakPolarHBondContact O-CG1 3.24Å; Q2509-I2513 PolarHBondContact O-N 3.21Å; T2510-I2513 PolarHBondContact O-N 3.03Å; I2513-C2515 VanDerWaalsContact C-N 3.34Å; I2513-C2515 PolarHBondContact O-N 3.16Å; I2513-F2516 WeakPolarHBondContact O-CB 3.31Å; I2513-F2516 PolarHBondContact O-N 3.09Å; I2513-A2517 WeakPolarHBondContact O-CB 3.42Å; I2513-A2517 PolarHBondContact O-N 3.07Å; I2513-L2568 HydrophobicContact CG1-CD2 4.16Å; I2513-S2571 VanDerWaalsContact CD1-CB 3.49Å; I2513-S2571 WeakPolarHBondContact CD1-OG 3.32Å; I2513-F2572 HydrophobicContact CG2-CB 4.26Å; I2513-F2572 HydrophobicContact CG2-CD1 4.24Å; I2513-F2572 HydrophobicContact CG2-CD2 4.19Å; I2513-F2572 HydrophobicContact CG2-CE2 3.9Å; I2513-F2572 HydrophobicContact CG2-CG 4.16Å |
| 2514 | C | 89.4 | Confident | 89 | Confident | 50.2 Ų | 50.2 | 44.3 Ų | 44.3 | 34% | 0.339 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.9 | -43.9 | 173.1 | -68.4 | 0 | 0 | 0 | 0 | 112.1 | T2510 Q2511 V2512 A2517 Q2518 | T2510-C2514 PolarHBondContact O-N 3.1Å; T2510-C2514 PolarHBondContact O-SG 3.22Å; T2510-C2514 VanDerWaalsContact O-SG 3.34Å; Q2511-C2514 PolarHBondContact O-N 3.19Å; V2512-C2514 VanDerWaalsContact C-N 3.35Å; C2514-A2517 PolarHBondContact O-N 3.15Å; C2514-Q2518 WeakPolarHBondContact O-CG 3.36Å; C2514-Q2518 PolarHBondContact O-N 3.14Å; C2514-Q2518 VanDerWaalsContact O-N 3.07Å |
| 2515 | C | 90.7 | Very high | 89.1 | Confident | 4.4 Ų | 4.4 | 46.2 Ų | 46.2 | 3% | 0.03 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.1 | -40.1 | 176.5 | -170.9 | 0 | 0 | 0 | 0 | 112.1 | L2480 Q2511 V2512 I2513 Q2518 F2519 | L2480-C2515 HydrophobicContact CD2-CB 3.79Å; Q2511-C2515 WeakPolarHBondContact O-CB 3.42Å; Q2511-C2515 PolarHBondContact O-N 3.33Å; V2512-C2515 WeakPolarHBondContact O-CB 3.28Å; V2512-C2515 PolarHBondContact O-N 3.14Å; I2513-C2515 VanDerWaalsContact C-N 3.34Å; I2513-C2515 PolarHBondContact O-N 3.16Å; C2515-Q2518 PolarHBondContact O-N 3.01Å; C2515-F2519 VanDerWaalsContact O-CD2 3.29Å; C2515-F2519 WeakPolarHBondContact O-CD2 3.44Å; C2515-F2519 PolarHBondContact O-N 3.16Å; C2515-F2519 VanDerWaalsContact O-N 3.16Å; C2515-F2519 VanDerWaalsContact SG-CE2 3.55Å |
| 2516 | F | 92.4 | Very high | 89.3 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.9 | -50.1 | 172.2 | 175.4 | -92.2 | 0 | 0 | 0 | 111 | V2512 I2513 Q2518 F2519 Y2520 V2559 I2562 L2568 F2572 L2585 V2589 | V2512-F2516 WeakPolarHBondContact O-CB 3.32Å; V2512-F2516 PolarHBondContact O-N 3.23Å; I2513-F2516 WeakPolarHBondContact O-CB 3.31Å; I2513-F2516 PolarHBondContact O-N 3.09Å; F2516-Q2518 VanDerWaalsContact C-N 3.26Å; F2516-Q2518 PolarHBondContact O-N 3.28Å; F2516-F2519 PolarHBondContact O-N 2.95Å; F2516-F2519 VanDerWaalsContact O-N 3.14Å; F2516-Y2520 AromaticContact CE1-CD1 3.9Å; F2516-Y2520 HydrophobicContact CE1-CD1 4.1Å; F2516-Y2520 HydrophobicContact CE1-CD2 4.27Å; F2516-Y2520 AromaticContact CE1-CG 3.91Å; F2516-Y2520 HydrophobicContact CE1-CG 3.91Å; F2516-Y2520 HydrophobicContact CZ-CD1 4.39Å; F2516-Y2520 HydrophobicContact CZ-CD2 4.18Å; F2516-Y2520 AromaticContact CZ-CG 3.95Å; F2516-Y2520 HydrophobicContact CZ-CG 3.98Å; F2516-Y2520 VanDerWaalsContact O-CB 3.26Å; F2516-Y2520 WeakPolarHBondContact O-CB 3.42Å; F2516-Y2520 PolarHBondContact O-N 3.14Å; F2516-V2559 HydrophobicContact CE2-CB 4.39Å; F2516-V2559 HydrophobicContact CE2-CG1 3.81Å; F2516-V2559 HydrophobicContact CE2-CG2 4.5Å; F2516-V2559 HydrophobicContact CZ-CG1 4.41Å; F2516-I2562 HydrophobicContact CB-CD1 4.22Å; F2516-I2562 HydrophobicContact CB-CG2 4.27Å; F2516-I2562 HydrophobicContact CD2-CB 4.23Å; F2516-I2562 HydrophobicContact CD2-CD1 4.42Å; F2516-I2562 HydrophobicContact CD2-CG2 3.82Å; F2516-I2562 HydrophobicContact CG-CG2 4.43Å; F2516-L2568 HydrophobicContact CD1-CD1 3.93Å; F2516-L2568 HydrophobicContact CD2-CD1 3.63Å; F2516-L2568 HydrophobicContact CE1-CD1 3.77Å; F2516-L2568 HydrophobicContact CE2-CD1 3.41Å; F2516-L2568 VanDerWaalsContact CE2-CD1 3.41Å; F2516-L2568 HydrophobicContact CG-CD1 3.87Å; F2516-L2568 HydrophobicContact CG-CD2 4.43Å; F2516-L2568 HydrophobicContact CZ-CD1 3.5Å; F2516-L2568 VanDerWaalsContact CZ-CD1 3.45Å; F2516-F2572 AromaticContact CD1-CE2 3.9Å; F2516-F2572 HydrophobicContact CD1-CE2 3.9Å; F2516-F2572 HydrophobicContact CD1-CZ 4.4Å; F2516-F2572 HydrophobicContact CE1-CE2 4.14Å; F2516-L2585 HydrophobicContact CE1-CD1 4.48Å; F2516-L2585 HydrophobicContact CE1-CD2 4.23Å; F2516-L2585 HydrophobicContact CZ-CD2 4.42Å; F2516-V2589 HydrophobicContact CZ-CG2 3.99Å |
| 2517 | A | 90.6 | Very high | 89.4 | Confident | 46.6 Ų | 46.6 | 46.7 Ų | 46.7 | 39% | 0.385 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.4 | -34.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I2513 C2514 G2521 F2572 | I2513-A2517 WeakPolarHBondContact O-CB 3.42Å; I2513-A2517 PolarHBondContact O-N 3.07Å; C2514-A2517 PolarHBondContact O-N 3.15Å; A2517-G2521 WeakPolarHBondContact O-CA 3.39Å; A2517-G2521 PolarHBondContact O-N 3.18Å; A2517-F2572 HydrophobicContact CB-CZ 4.15Å |
| 2518 | Q | 91.3 | Very high | 89.5 | Confident | 116 Ų | 116 | 44.4 Ų | 44.4 | 54% | 0.542 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64 | -49.3 | 173.4 | -72.9 | 170.4 | 3.1 | 0 | 0 | 112.2 | C2514 C2515 F2516 L2522 | C2514-Q2518 WeakPolarHBondContact O-CG 3.36Å; C2514-Q2518 PolarHBondContact O-N 3.14Å; C2514-Q2518 VanDerWaalsContact O-N 3.07Å; C2515-Q2518 PolarHBondContact O-N 3.01Å; F2516-Q2518 VanDerWaalsContact C-N 3.26Å; F2516-Q2518 PolarHBondContact O-N 3.28Å; Q2518-L2522 WeakPolarHBondContact O-CG 3.35Å; Q2518-L2522 PolarHBondContact O-N 3.15Å |
| 2519 | F | 93.2 | Very high | 89.4 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 9% | 0.088 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.8 | -40.1 | 179.3 | -72.8 | -59 | 0 | 0 | 0 | 112.6 | V2483 Q2484 C2515 F2516 L2522 L2523 R2554 A2555 T2558 V2559 | V2483-F2519 HydrophobicContact CG1-CE2 4.38Å; Q2484-F2519 HydrophobicContact CG-CE2 4.37Å; Q2484-F2519 HydrophobicContact CG-CZ 4.13Å; C2515-F2519 VanDerWaalsContact O-CD2 3.29Å; C2515-F2519 WeakPolarHBondContact O-CD2 3.44Å; C2515-F2519 PolarHBondContact O-N 3.16Å; C2515-F2519 VanDerWaalsContact O-N 3.16Å; C2515-F2519 VanDerWaalsContact SG-CE2 3.55Å; F2516-F2519 PolarHBondContact O-N 2.95Å; F2516-F2519 VanDerWaalsContact O-N 3.14Å; F2519-L2522 WeakPolarHBondContact O-CB 3.42Å; F2519-L2522 PolarHBondContact O-N 3.22Å; F2519-L2523 WeakPolarHBondContact O-CG 3.38Å; F2519-L2523 PolarHBondContact O-N 2.96Å; F2519-R2554 HydrophobicContact CE1-CG 3.96Å; F2519-R2554 HydrophobicContact CZ-CG 4.22Å; F2519-A2555 HydrophobicContact CB-CB 4.05Å; F2519-A2555 HydrophobicContact CD1-CB 3.85Å; F2519-A2555 HydrophobicContact CG-CB 4.38Å; F2519-T2558 HydrophobicContact CD2-CG2 3.81Å; F2519-T2558 HydrophobicContact CE2-CG2 3.69Å; F2519-T2558 HydrophobicContact CG-CG2 4.41Å; F2519-T2558 HydrophobicContact CZ-CG2 4.4Å; F2519-V2559 HydrophobicContact CB-CG2 3.72Å |
| 2520 | Y | 92.5 | Very high | 89.4 | Confident | 21 Ų | 21 | 44.3 Ų | 44.3 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.2 | -42.4 | 178.3 | -176 | -116 | 0 | 0 | 0 | 111.3 | F2516 L2522 L2523 T2524 V2559 L2585 E2588 V2589 I2592 | F2516-Y2520 AromaticContact CE1-CD1 3.9Å; F2516-Y2520 HydrophobicContact CE1-CD1 4.1Å; F2516-Y2520 HydrophobicContact CE1-CD2 4.27Å; F2516-Y2520 AromaticContact CE1-CG 3.91Å; F2516-Y2520 HydrophobicContact CE1-CG 3.91Å; F2516-Y2520 HydrophobicContact CZ-CD1 4.39Å; F2516-Y2520 HydrophobicContact CZ-CD2 4.18Å; F2516-Y2520 AromaticContact CZ-CG 3.95Å; F2516-Y2520 HydrophobicContact CZ-CG 3.98Å; F2516-Y2520 VanDerWaalsContact O-CB 3.26Å; F2516-Y2520 WeakPolarHBondContact O-CB 3.42Å; F2516-Y2520 PolarHBondContact O-N 3.14Å; Y2520-L2522 VanDerWaalsContact C-N 3.31Å; Y2520-L2522 PolarHBondContact O-N 3.31Å; Y2520-L2523 CarbonylContact O-C 3.37Å; Y2520-L2523 WeakPolarHBondContact O-CA 3.41Å; Y2520-L2523 WeakPolarHBondContact O-CB 3.33Å; Y2520-L2523 PolarHBondContact O-N 3.13Å; Y2520-T2524 HydrophobicContact CD1-CG2 3.91Å; Y2520-T2524 HydrophobicContact CD2-CG2 4.33Å; Y2520-T2524 HydrophobicContact CE1-CG2 3.53Å; Y2520-T2524 VanDerWaalsContact CE1-CG2 3.45Å; Y2520-T2524 WeakPolarHBondContact CE1-OG1 3.3Å; Y2520-T2524 HydrophobicContact CE2-CG2 3.98Å; Y2520-T2524 HydrophobicContact CG-CG2 4.3Å; Y2520-T2524 VanDerWaalsContact CZ-CG2 3.5Å; Y2520-T2524 WeakPolarHBondContact O-CG2 3.35Å; Y2520-T2524 PolarHBondContact O-N 3.22Å; Y2520-T2524 PolarHBondContact O-OG1 3.19Å; Y2520-V2559 HydrophobicContact CD2-CG1 4.37Å; Y2520-L2585 HydrophobicContact CD1-CD1 4.38Å; Y2520-L2585 HydrophobicContact CE1-CD1 3.8Å; Y2520-L2585 HydrophobicContact CE2-CD1 4.44Å; Y2520-E2588 VanDerWaalsContact OH-CB 3.23Å; Y2520-E2588 WeakPolarHBondContact OH-CB 3.44Å; Y2520-E2588 VanDerWaalsContact OH-CG 3.28Å; Y2520-E2588 WeakPolarHBondContact OH-CG 3.37Å; Y2520-E2588 PolarHBondContact OH-OE1 3.21Å; Y2520-E2588 PolarHBondContact OH-OE2 3.19Å; Y2520-V2589 HydrophobicContact CD2-CG2 3.95Å; Y2520-V2589 HydrophobicContact CE2-CB 4.35Å; Y2520-V2589 HydrophobicContact CE2-CG2 3.45Å; Y2520-V2589 VanDerWaalsContact CE2-CG2 3.45Å; Y2520-I2592 HydrophobicContact CE2-CD1 3.64Å; Y2520-I2592 VanDerWaalsContact OH-CD1 3.3Å; Y2520-I2592 WeakPolarHBondContact OH-CD1 3.26Å |
| 2521 | G | 90.6 | Very high | 89.4 | Confident | 20.4 Ų | 20.4 | 46.3 Ų | 46.3 | 21% | 0.21 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.9 | -46.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A2517 L2523 T2524 D2525 | A2517-G2521 WeakPolarHBondContact O-CA 3.39Å; A2517-G2521 PolarHBondContact O-N 3.18Å; G2521-L2523 VanDerWaalsContact C-N 3.27Å; G2521-L2523 PolarHBondContact O-N 3.16Å; G2521-L2523 VanDerWaalsContact O-N 3.11Å; G2521-T2524 VanDerWaalsContact CA-OG1 3.3Å; G2521-T2524 WeakPolarHBondContact CA-OG1 3.38Å; G2521-T2524 PolarHBondContact O-N 3.19Å; G2521-T2524 PolarHBondContact O-OG1 3.21Å; G2521-D2525 WeakPolarHBondContact O-CB 3.29Å; G2521-D2525 PolarHBondContact O-N 3.25Å |
| 2522 | L | 90.6 | Very high | 89.1 | Confident | 69.6 Ų | 69.6 | 47.9 Ų | 47.9 | 36% | 0.364 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59 | -30.4 | 175.1 | -108.2 | 151.1 | 0 | 0 | 0 | 113.4 | Q2518 F2519 Y2520 L2526 I2552 A2555 | Q2518-L2522 WeakPolarHBondContact O-CG 3.35Å; Q2518-L2522 PolarHBondContact O-N 3.15Å; F2519-L2522 WeakPolarHBondContact O-CB 3.42Å; F2519-L2522 PolarHBondContact O-N 3.22Å; Y2520-L2522 VanDerWaalsContact C-N 3.31Å; Y2520-L2522 PolarHBondContact O-N 3.31Å; L2522-L2526 WeakPolarHBondContact O-CD1 3.24Å; L2522-I2552 HydrophobicContact CD2-CB 4.19Å; L2522-I2552 HydrophobicContact CD2-CG1 3.55Å; L2522-A2555 HydrophobicContact CD2-CB 4.13Å |
| 2523 | L | 92.8 | Very high | 88.5 | Confident | 0.6 Ų | 0.6 | 48.8 Ų | 48.8 | 0% | 0.003 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -81.7 | -40.2 | 175.2 | -60.7 | 179.9 | 0 | 0 | 0 | 111.9 | F2519 Y2520 G2521 D2525 L2526 S2527 I2552 A2555 L2556 V2559 I2592 F2596 | F2519-L2523 WeakPolarHBondContact O-CG 3.38Å; F2519-L2523 PolarHBondContact O-N 2.96Å; Y2520-L2523 CarbonylContact O-C 3.37Å; Y2520-L2523 WeakPolarHBondContact O-CA 3.41Å; Y2520-L2523 WeakPolarHBondContact O-CB 3.33Å; Y2520-L2523 PolarHBondContact O-N 3.13Å; G2521-L2523 VanDerWaalsContact C-N 3.27Å; G2521-L2523 PolarHBondContact O-N 3.16Å; G2521-L2523 VanDerWaalsContact O-N 3.11Å; L2523-D2525 VanDerWaalsContact C-N 3.33Å; L2523-D2525 PolarHBondContact O-N 3.16Å; L2523-L2526 PolarHBondContact O-N 3.1Å; L2523-S2527 VanDerWaalsContact O-CB 3.25Å; L2523-S2527 WeakPolarHBondContact O-CB 3.36Å; L2523-S2527 PolarHBondContact O-N 3.33Å; L2523-I2552 HydrophobicContact CD2-CG2 4.2Å; L2523-A2555 HydrophobicContact CD1-CB 4.31Å; L2523-A2555 HydrophobicContact CD2-CB 3.82Å; L2523-A2555 HydrophobicContact CG-CB 3.93Å; L2523-L2556 HydrophobicContact CD1-CD2 4Å; L2523-L2556 HydrophobicContact CD2-CD2 3.76Å; L2523-L2556 HydrophobicContact CD2-CG 3.85Å; L2523-V2559 HydrophobicContact CD1-CB 4.31Å; L2523-V2559 HydrophobicContact CD1-CG1 4.49Å; L2523-V2559 HydrophobicContact CD1-CG2 3.96Å; L2523-I2592 HydrophobicContact CB-CG2 3.95Å; L2523-I2592 HydrophobicContact CD1-CG2 4.41Å; L2523-F2596 HydrophobicContact CB-CE2 4.14Å; L2523-F2596 HydrophobicContact CB-CZ 4.36Å; L2523-F2596 HydrophobicContact CD2-CE1 4.17Å; L2523-F2596 HydrophobicContact CD2-CE2 4.11Å; L2523-F2596 HydrophobicContact CD2-CZ 3.79Å |
| 2524 | T | 90.1 | Very high | 88.1 | Confident | 38 Ų | 38 | 50 Ų | 50 | 23% | 0.233 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 179.1 | 37.7 | 0 | 0 | 0 | 0 | 111.6 | Y2520 G2521 L2526 S2527 I2592 | Y2520-T2524 HydrophobicContact CD1-CG2 3.91Å; Y2520-T2524 HydrophobicContact CD2-CG2 4.33Å; Y2520-T2524 HydrophobicContact CE1-CG2 3.53Å; Y2520-T2524 VanDerWaalsContact CE1-CG2 3.45Å; Y2520-T2524 WeakPolarHBondContact CE1-OG1 3.3Å; Y2520-T2524 HydrophobicContact CE2-CG2 3.98Å; Y2520-T2524 HydrophobicContact CG-CG2 4.3Å; Y2520-T2524 VanDerWaalsContact CZ-CG2 3.5Å; Y2520-T2524 WeakPolarHBondContact O-CG2 3.35Å; Y2520-T2524 PolarHBondContact O-N 3.22Å; Y2520-T2524 PolarHBondContact O-OG1 3.19Å; G2521-T2524 VanDerWaalsContact CA-OG1 3.3Å; G2521-T2524 WeakPolarHBondContact CA-OG1 3.38Å; G2521-T2524 PolarHBondContact O-N 3.19Å; G2521-T2524 PolarHBondContact O-OG1 3.21Å; T2524-L2526 VanDerWaalsContact C-N 3.29Å; T2524-L2526 PolarHBondContact O-N 3.05Å; T2524-S2527 WeakPolarHBondContact O-CB 3.33Å; T2524-S2527 PolarHBondContact O-N 2.99Å; T2524-S2527 VanDerWaalsContact O-N 3.1Å; T2524-S2527 PolarHBondContact O-OG 3.29Å; T2524-I2592 HydrophobicContact CG2-CD1 3.77Å |
| 2525 | D | 88 | Confident | 87.7 | Confident | 116.2 Ų | 116.2 | 51.9 Ų | 51.9 | 62% | 0.621 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60.2 | -43.8 | -179.8 | -65 | -14.8 | 0 | 0 | 0 | 110.9 | G2521 L2523 S2527 L2528 | G2521-D2525 WeakPolarHBondContact O-CB 3.29Å; G2521-D2525 PolarHBondContact O-N 3.25Å; L2523-D2525 VanDerWaalsContact C-N 3.33Å; L2523-D2525 PolarHBondContact O-N 3.16Å; D2525-S2527 VanDerWaalsContact C-N 3.28Å; D2525-S2527 PolarHBondContact O-N 2.93Å; D2525-L2528 PolarHBondContact O-N 3.39Å |
| 2526 | L | 88.6 | Confident | 86.8 | Confident | 23.8 Ų | 23.8 | 55.2 Ų | 55.2 | 13% | 0.125 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -77.9 | -20.3 | 176.2 | -138.2 | 74.1 | 0 | 0 | 0 | 113.2 | L2522 L2523 T2524 L2528 E2529 L2530 I2544 I2552 F2596 | L2522-L2526 WeakPolarHBondContact O-CD1 3.24Å; L2523-L2526 PolarHBondContact O-N 3.1Å; T2524-L2526 VanDerWaalsContact C-N 3.29Å; T2524-L2526 PolarHBondContact O-N 3.05Å; L2526-L2528 VanDerWaalsContact C-N 3.28Å; L2526-L2528 PolarHBondContact O-N 3.12Å; L2526-E2529 HydrophobicContact CD1-CB 4.23Å; L2526-E2529 VanDerWaalsContact CD1-OE2 3.3Å; L2526-E2529 WeakPolarHBondContact CD1-OE2 3.35Å; L2526-E2529 WeakPolarHBondContact O-CB 3.38Å; L2526-E2529 PolarHBondContact O-N 3.14Å; L2526-L2530 HydrophobicContact CD1-CG 4.19Å; L2526-L2530 HydrophobicContact CD2-CD1 4.38Å; L2526-L2530 HydrophobicContact CG-CD1 4.24Å; L2526-L2530 HydrophobicContact CG-CG 4.2Å; L2526-L2530 VanDerWaalsContact O-CG 3.32Å; L2526-L2530 WeakPolarHBondContact O-CG 3.38Å; L2526-L2530 PolarHBondContact O-N 3.23Å; L2526-I2544 HydrophobicContact CD2-CD1 4.14Å; L2526-I2544 HydrophobicContact CD2-CG1 4.05Å; L2526-I2552 HydrophobicContact CD1-CD1 4.34Å; L2526-I2552 HydrophobicContact CD2-CD1 3.46Å; L2526-I2552 VanDerWaalsContact CD2-CD1 3.44Å; L2526-I2552 HydrophobicContact CD2-CG1 4.08Å; L2526-I2552 HydrophobicContact CD2-CG2 4.3Å; L2526-F2596 HydrophobicContact CB-CZ 4.06Å; L2526-F2596 HydrophobicContact CD2-CE1 3.67Å; L2526-F2596 HydrophobicContact CD2-CZ 3.79Å; L2526-F2596 HydrophobicContact CG-CE1 4.33Å; L2526-F2596 HydrophobicContact CG-CZ 4.05Å |
| 2527 | S | 88.8 | Confident | 85.4 | Confident | 7 Ų | 7 | 63.1 Ų | 63.1 | 5% | 0.049 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.1 | -27.8 | -176.6 | 77 | 0 | 0 | 0 | 0 | 113.2 | L2523 T2524 D2525 L2530 R2531 L2595 | L2523-S2527 VanDerWaalsContact O-CB 3.25Å; L2523-S2527 WeakPolarHBondContact O-CB 3.36Å; L2523-S2527 PolarHBondContact O-N 3.33Å; T2524-S2527 WeakPolarHBondContact O-CB 3.33Å; T2524-S2527 PolarHBondContact O-N 2.99Å; T2524-S2527 VanDerWaalsContact O-N 3.1Å; T2524-S2527 PolarHBondContact O-OG 3.29Å; D2525-S2527 VanDerWaalsContact C-N 3.28Å; D2525-S2527 PolarHBondContact O-N 2.93Å; S2527-L2530 PolarHBondContact O-N 3.44Å; S2527-R2531 VanDerWaalsContact C-NH1 3.3Å; S2527-R2531 VanDerWaalsContact CB-NH1 3.28Å; S2527-R2531 VanDerWaalsContact O-CG 3.29Å; S2527-R2531 WeakPolarHBondContact O-CG 3.34Å; S2527-R2531 PolarHBondContact O-N 2.98Å; S2527-R2531 VanDerWaalsContact O-N 3.09Å; S2527-R2531 PolarHBondContact O-NH1 2.84Å; S2527-R2531 PolarHBondContact OG-NH1 3.24Å; S2527-R2531 VanDerWaalsContact OG-NH1 3.15Å; S2527-L2595 WeakPolarHBondContact O-CD2 3.31Å |
| 2528 | L | 85.1 | Confident | 83.6 | Confident | 110.4 Ų | 110.4 | 66.2 Ų | 66.2 | 58% | 0.578 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -70.2 | -50.1 | 174.8 | -104.9 | 163.9 | 0 | 0 | 0 | 110.3 | D2525 L2526 L2530 R2531 E2532 | D2525-L2528 PolarHBondContact O-N 3.39Å; L2526-L2528 VanDerWaalsContact C-N 3.28Å; L2526-L2528 PolarHBondContact O-N 3.12Å; L2528-L2530 VanDerWaalsContact C-N 3.3Å; L2528-L2530 PolarHBondContact O-N 3.11Å; L2528-R2531 PolarHBondContact O-N 3.18Å; L2528-R2531 VanDerWaalsContact O-N 3.16Å; L2528-E2532 HydrophobicContact CD2-CG 4.34Å; L2528-E2532 VanDerWaalsContact CD2-OE1 3.28Å; L2528-E2532 WeakPolarHBondContact CD2-OE1 3.25Å; L2528-E2532 WeakPolarHBondContact O-CG 3.17Å; L2528-E2532 PolarHBondContact O-N 3Å; L2528-E2532 VanDerWaalsContact O-N 3.09Å |
| 2529 | E | 84 | Confident | 81.8 | Confident | 96 Ų | 96 | 65 Ų | 65 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.9 | -40 | 176.9 | -99.9 | -177.3 | -174.6 | 0 | 0 | 112.2 | L2526 E2532 A2533 A2542 R2543 | L2526-E2529 HydrophobicContact CD1-CB 4.23Å; L2526-E2529 VanDerWaalsContact CD1-OE2 3.3Å; L2526-E2529 WeakPolarHBondContact CD1-OE2 3.35Å; L2526-E2529 WeakPolarHBondContact O-CB 3.38Å; L2526-E2529 PolarHBondContact O-N 3.14Å; E2529-E2532 PolarHBondContact O-N 3.14Å; E2529-A2533 WeakPolarHBondContact O-CB 3.29Å; E2529-A2533 PolarHBondContact O-N 3.16Å; E2529-A2533 VanDerWaalsContact O-N 3.14Å; E2529-A2542 HydrophobicContact CG-CB 4.27Å; E2529-R2543 HydrophobicContact CG-CB 4.44Å; E2529-R2543 VanDerWaalsContact CG-CD 3.44Å; E2529-R2543 VanDerWaalsContact CG-NH1 3.3Å; E2529-R2543 PolarHBondContact O-NH1 3.2Å; E2529-R2543 VanDerWaalsContact O-NH1 3.11Å; E2529-R2543 WeakPolarHBondContact OE1-CB 3.29Å; E2529-R2543 WeakPolarHBondContact OE1-CD 3.38Å |
| 2530 | L | 85.2 | Confident | 79.7 | Confident | 0.6 Ų | 0.6 | 69.4 Ų | 69.4 | 0% | 0.003 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71 | -34.8 | 178.2 | -65.9 | -177.3 | 0 | 0 | 0 | 113 | L2526 S2527 L2528 E2532 A2533 L2534 I2544 L2595 F2596 Y2599 | L2526-L2530 HydrophobicContact CD1-CG 4.19Å; L2526-L2530 HydrophobicContact CD2-CD1 4.38Å; L2526-L2530 HydrophobicContact CG-CD1 4.24Å; L2526-L2530 HydrophobicContact CG-CG 4.2Å; L2526-L2530 VanDerWaalsContact O-CG 3.32Å; L2526-L2530 WeakPolarHBondContact O-CG 3.38Å; L2526-L2530 PolarHBondContact O-N 3.23Å; S2527-L2530 PolarHBondContact O-N 3.44Å; L2528-L2530 VanDerWaalsContact C-N 3.3Å; L2528-L2530 PolarHBondContact O-N 3.11Å; L2530-E2532 VanDerWaalsContact C-N 3.34Å; L2530-A2533 PolarHBondContact O-N 3.03Å; L2530-L2534 WeakPolarHBondContact O-CB 3.47Å; L2530-L2534 WeakPolarHBondContact O-CG 3.29Å; L2530-L2534 PolarHBondContact O-N 3.02Å; L2530-L2534 VanDerWaalsContact O-N 3.13Å; L2530-I2544 HydrophobicContact CD1-CD1 4.47Å; L2530-I2544 HydrophobicContact CD2-CD1 4.36Å; L2530-I2544 HydrophobicContact CD2-CG1 4.39Å; L2530-L2595 HydrophobicContact CB-CD2 4.34Å; L2530-L2595 HydrophobicContact CB-CG 4.42Å; L2530-F2596 HydrophobicContact CD1-CD1 3.63Å; L2530-F2596 HydrophobicContact CD1-CD2 4.02Å; L2530-F2596 HydrophobicContact CD1-CE1 3.47Å; L2530-F2596 VanDerWaalsContact CD1-CE1 3.46Å; L2530-F2596 HydrophobicContact CD1-CE2 3.88Å; L2530-F2596 HydrophobicContact CD1-CG 3.93Å; L2530-F2596 HydrophobicContact CD1-CZ 3.61Å; L2530-Y2599 HydrophobicContact CD1-CD1 4.4Å; L2530-Y2599 HydrophobicContact CD1-CG 4.44Å; L2530-Y2599 HydrophobicContact CD2-CD1 3.76Å; L2530-Y2599 HydrophobicContact CD2-CD2 3.78Å; L2530-Y2599 HydrophobicContact CD2-CE1 3.79Å; L2530-Y2599 HydrophobicContact CD2-CE2 3.79Å; L2530-Y2599 HydrophobicContact CD2-CG 3.77Å |
| 2531 | R | 86.4 | Confident | 77.8 | Confident | 110.6 Ų | 110.6 | 72.5 Ų | 72.5 | 42% | 0.417 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 174 | -76.7 | 180 | -172.7 | 106.2 | -7.2 | 111.2 | S2527 L2528 A2533 L2534 S2535 L2595 | S2527-R2531 VanDerWaalsContact C-NH1 3.3Å; S2527-R2531 VanDerWaalsContact CB-NH1 3.28Å; S2527-R2531 VanDerWaalsContact O-CG 3.29Å; S2527-R2531 WeakPolarHBondContact O-CG 3.34Å; S2527-R2531 PolarHBondContact O-N 2.98Å; S2527-R2531 VanDerWaalsContact O-N 3.09Å; S2527-R2531 PolarHBondContact O-NH1 2.84Å; S2527-R2531 PolarHBondContact OG-NH1 3.24Å; S2527-R2531 VanDerWaalsContact OG-NH1 3.15Å; L2528-R2531 PolarHBondContact O-N 3.18Å; L2528-R2531 VanDerWaalsContact O-N 3.16Å; R2531-A2533 VanDerWaalsContact C-N 3.34Å; R2531-A2533 PolarHBondContact O-N 3.3Å; R2531-L2534 PolarHBondContact O-N 3.18Å; R2531-S2535 WeakPolarHBondContact O-CB 3.43Å; R2531-S2535 PolarHBondContact O-N 3.21Å; R2531-S2535 PolarHBondContact O-OG 3.1Å; R2531-L2595 HydrophobicContact CG-CD1 3.67Å; R2531-L2595 HydrophobicContact CG-CD2 3.8Å; R2531-L2595 HydrophobicContact CG-CG 4.4Å |
| 2532 | E | 82.7 | Confident | 76.2 | Confident | 113.8 Ų | 113.8 | 73.6 Ų | 73.6 | 53% | 0.532 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 174.3 | -69.5 | 178.6 | 176.9 | 0 | 0 | 112.2 | L2528 E2529 L2530 L2534 S2535 T2536 R2543 | L2528-E2532 HydrophobicContact CD2-CG 4.34Å; L2528-E2532 VanDerWaalsContact CD2-OE1 3.28Å; L2528-E2532 WeakPolarHBondContact CD2-OE1 3.25Å; L2528-E2532 WeakPolarHBondContact O-CG 3.17Å; L2528-E2532 PolarHBondContact O-N 3Å; L2528-E2532 VanDerWaalsContact O-N 3.09Å; E2529-E2532 PolarHBondContact O-N 3.14Å; L2530-E2532 VanDerWaalsContact C-N 3.34Å; E2532-L2534 VanDerWaalsContact C-N 3.32Å; E2532-L2534 PolarHBondContact O-N 3.2Å; E2532-S2535 WeakPolarHBondContact CA-OG 3.38Å; E2532-S2535 PolarHBondContact O-N 3.11Å; E2532-S2535 PolarHBondContact O-OG 3.16Å; E2532-T2536 WeakPolarHBondContact O-CB 3.32Å; E2532-T2536 WeakPolarHBondContact O-CG2 3.34Å; E2532-T2536 PolarHBondContact O-N 3.06Å; E2532-T2536 PolarHBondContact O-OG1 3.1Å; E2532-R2543 IonicContact OE2-CZ 2.81Å; E2532-R2543 IonicContact OE2-NH1 3.23Å; E2532-R2543 PolarHBondContact OE2-NH1 2.97Å; E2532-R2543 IonicContact OE2-NH2 3.53Å |
| 2533 | A | 78 | Confident | 75.1 | Confident | 19.8 Ų | 19.8 | 77.8 Ų | 77.8 | 16% | 0.164 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E2529 L2530 R2531 S2535 T2536 A2542 Y2599 | E2529-A2533 WeakPolarHBondContact O-CB 3.29Å; E2529-A2533 PolarHBondContact O-N 3.16Å; E2529-A2533 VanDerWaalsContact O-N 3.14Å; L2530-A2533 PolarHBondContact O-N 3.03Å; R2531-A2533 VanDerWaalsContact C-N 3.34Å; R2531-A2533 PolarHBondContact O-N 3.3Å; A2533-S2535 VanDerWaalsContact C-N 3.32Å; A2533-S2535 PolarHBondContact O-N 3.44Å; A2533-T2536 PolarHBondContact O-OG1 3.24Å; A2533-A2542 HydrophobicContact CB-CB 3.67Å; A2533-A2542 VanDerWaalsContact CB-CB 3.43Å; A2533-Y2599 HydrophobicContact CB-CD2 4.27Å; A2533-Y2599 HydrophobicContact CB-CE2 4.15Å |
| 2534 | L | 79.6 | Confident | 74.4 | Confident | 56.8 Ų | 56.8 | 78.8 Ų | 78.8 | 30% | 0.297 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -70.6 | -36.8 | 175.6 | -76.4 | 168.9 | 0 | 0 | 0 | 112.6 | L2530 R2531 E2532 L2595 E2598 Y2599 V2602 | L2530-L2534 WeakPolarHBondContact O-CB 3.47Å; L2530-L2534 WeakPolarHBondContact O-CG 3.29Å; L2530-L2534 PolarHBondContact O-N 3.02Å; L2530-L2534 VanDerWaalsContact O-N 3.13Å; R2531-L2534 PolarHBondContact O-N 3.18Å; E2532-L2534 VanDerWaalsContact C-N 3.32Å; E2532-L2534 PolarHBondContact O-N 3.2Å; L2534-L2595 HydrophobicContact CD1-CD1 3.56Å; L2534-L2595 VanDerWaalsContact CD1-CD1 3.46Å; L2534-E2598 HydrophobicContact CD1-CB 4.45Å; L2534-Y2599 HydrophobicContact CD2-CD2 4.46Å; L2534-Y2599 HydrophobicContact CG-CD2 4.41Å; L2534-V2602 HydrophobicContact CD2-CG2 3.67Å |
| 2535 | S | 80.2 | Confident | 73.9 | Confident | 90.8 Ų | 90.8 | 79.7 Ų | 79.7 | 64% | 0.635 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -72.4 | -39.1 | -179 | 83.4 | 0 | 0 | 0 | 0 | 113.2 | R2531 E2532 A2533 K2537 | R2531-S2535 WeakPolarHBondContact O-CB 3.43Å; R2531-S2535 PolarHBondContact O-N 3.21Å; R2531-S2535 PolarHBondContact O-OG 3.1Å; E2532-S2535 WeakPolarHBondContact CA-OG 3.38Å; E2532-S2535 PolarHBondContact O-N 3.11Å; E2532-S2535 PolarHBondContact O-OG 3.16Å; A2533-S2535 VanDerWaalsContact C-N 3.32Å; A2533-S2535 PolarHBondContact O-N 3.44Å; S2535-K2537 VanDerWaalsContact C-N 3.31Å; S2535-K2537 PolarHBondContact O-N 3.02Å |
| 2536 | T | 72.4 | Confident | 73.5 | Confident | 72.2 Ų | 72.2 | 79.1 Ų | 79.1 | 44% | 0.443 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -74.1 | -14.7 | -174.4 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | E2532 A2533 I2538 | E2532-T2536 WeakPolarHBondContact O-CB 3.32Å; E2532-T2536 WeakPolarHBondContact O-CG2 3.34Å; E2532-T2536 PolarHBondContact O-N 3.06Å; E2532-T2536 PolarHBondContact O-OG1 3.1Å; A2533-T2536 PolarHBondContact O-OG1 3.24Å; T2536-I2538 WeakPolarHBondContact O-CG1 3.37Å; T2536-I2538 PolarHBondContact O-N 3.37Å |
| 2537 | K | 62 | Low | 73.3 | Confident | 174.8 Ų | 174.8 | 86.7 Ų | 86.7 | 76% | 0.76 | 47% | 0.467 | S | S | * | . | trans | 54.8 | 1.8 | -173.6 | -65.5 | -176.2 | 178 | 178.2 | 0 | 115.4 | S2535 S2539 T3351 | S2535-K2537 VanDerWaalsContact C-N 3.31Å; S2535-K2537 PolarHBondContact O-N 3.02Å; K2537-S2539 PolarHBondContact O-N 3.08Å; K2537-S2539 VanDerWaalsContact O-N 3.14Å; K2537-S2539 PolarHBondContact O-OG 3.21Å; K2537-T3351 PolarHBondContact NZ-OG1 3.02Å | ||
| 2538 | I | 53.6 | Low | 73.2 | Confident | 111.6 Ų | 111.6 | 89.4 Ų | 89.4 | 57% | 0.572 | 48% | 0.484 | S | S | * | . | trans | -79.8 | 106.8 | -179 | -65.4 | 164.5 | 0 | 0 | 0 | 107.9 | T2536 T2540 S2541 | T2536-I2538 WeakPolarHBondContact O-CG1 3.37Å; T2536-I2538 PolarHBondContact O-N 3.37Å; I2538-T2540 VanDerWaalsContact C-N 3.29Å; I2538-T2540 HydrophobicContact CG2-CG2 3.74Å; I2538-T2540 VanDerWaalsContact CG2-OG1 3.3Å; I2538-T2540 WeakPolarHBondContact CG2-OG1 3.39Å; I2538-T2540 PolarHBondContact O-N 3.13Å; I2538-S2541 PolarHBondContact O-N 3.06Å | ||
| 2539 | S | 53.1 | Low | 73.5 | Confident | 91.8 Ų | 91.8 | 87.5 Ų | 87.5 | 64% | 0.642 | 47% | 0.469 | S | S | * | . | trans | -73.6 | 16 | -173.9 | -51.2 | 0 | 0 | 0 | 0 | 115 | K2537 S2541 | K2537-S2539 PolarHBondContact O-N 3.08Å; K2537-S2539 VanDerWaalsContact O-N 3.14Å; K2537-S2539 PolarHBondContact O-OG 3.21Å; S2539-S2541 VanDerWaalsContact C-N 3.31Å; S2539-S2541 PolarHBondContact O-N 3.04Å | ||
| 2540 | T | 49.7 | Very low | 73.7 | Confident | 110.6 Ų | 110.6 | 86.6 Ų | 86.6 | 68% | 0.679 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -95.6 | 52.2 | -175.7 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | I2538 A2542 | I2538-T2540 VanDerWaalsContact C-N 3.29Å; I2538-T2540 HydrophobicContact CG2-CG2 3.74Å; I2538-T2540 VanDerWaalsContact CG2-OG1 3.3Å; I2538-T2540 WeakPolarHBondContact CG2-OG1 3.39Å; I2538-T2540 PolarHBondContact O-N 3.13Å; T2540-A2542 PolarHBondContact O-N 3.42Å |
| 2541 | S | 53.1 | Low | 74 | Confident | 87.2 Ų | 87.2 | 89.3 Ų | 89.3 | 61% | 0.61 | 49% | 0.49 | S | S | * | . | trans | -48.5 | 116.9 | 177.9 | 112.5 | 0 | 0 | 0 | 0 | 115.1 | I2538 S2539 R2543 | I2538-S2541 PolarHBondContact O-N 3.06Å; S2539-S2541 VanDerWaalsContact C-N 3.31Å; S2539-S2541 PolarHBondContact O-N 3.04Å; S2541-R2543 PolarHBondContact O-N 3.19Å; S2541-R2543 VanDerWaalsContact O-N 3.12Å; S2541-R2543 WeakPolarHBondContact OG-CG 3.19Å | ||
| 2542 | A | 56.5 | Low | 74.3 | Confident | 44.2 Ų | 44.2 | 84.2 Ų | 84.2 | 37% | 0.365 | 47% | 0.471 | S | S | . | . | trans | -73.3 | 78 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | E2529 A2533 T2540 I2544 Y2599 | E2529-A2542 HydrophobicContact CG-CB 4.27Å; A2533-A2542 HydrophobicContact CB-CB 3.67Å; A2533-A2542 VanDerWaalsContact CB-CB 3.43Å; T2540-A2542 PolarHBondContact O-N 3.42Å; A2542-I2544 PolarHBondContact O-N 3.27Å; A2542-I2544 VanDerWaalsContact O-N 3.14Å; A2542-Y2599 HydrophobicContact CB-CE2 4.45Å; A2542-Y2599 PolarHBondContact O-OH 2.95Å | ||
| 2543 | R | 66.6 | Low | 74.8 | Confident | 157.6 Ų | 157.6 | 79.9 Ų | 79.9 | 60% | 0.595 | 45% | 0.452 | S | S | * | . | trans | -65.6 | 68 | 178.7 | -82.9 | -175.1 | -168.9 | -177.6 | 2.9 | 109.7 | E2529 E2532 S2541 S2545 Y2599 | E2529-R2543 HydrophobicContact CG-CB 4.44Å; E2529-R2543 VanDerWaalsContact CG-CD 3.44Å; E2529-R2543 VanDerWaalsContact CG-NH1 3.3Å; E2529-R2543 PolarHBondContact O-NH1 3.2Å; E2529-R2543 VanDerWaalsContact O-NH1 3.11Å; E2529-R2543 WeakPolarHBondContact OE1-CB 3.29Å; E2529-R2543 WeakPolarHBondContact OE1-CD 3.38Å; E2532-R2543 IonicContact OE2-CZ 2.81Å; E2532-R2543 IonicContact OE2-NH1 3.23Å; E2532-R2543 PolarHBondContact OE2-NH1 2.97Å; E2532-R2543 IonicContact OE2-NH2 3.53Å; S2541-R2543 PolarHBondContact O-N 3.19Å; S2541-R2543 VanDerWaalsContact O-N 3.12Å; S2541-R2543 WeakPolarHBondContact OG-CG 3.19Å; R2543-S2545 PolarHBondContact O-N 3.18Å; R2543-S2545 VanDerWaalsContact O-N 3.08Å; R2543-Y2599 PolarHBondContact N-OH 2.91Å | ||
| 2544 | I | 78.5 | Confident | 75.5 | Confident | 20.8 Ų | 20.8 | 82.9 Ų | 82.9 | 11% | 0.107 | 46% | 0.459 | C | S | . | . | trans | -56.4 | 111.6 | 170.3 | -63.4 | 176.1 | 0 | 0 | 0 | 108.8 | L2526 L2530 A2542 S2546 R2549 I2552 F2596 Y2599 L2641 | L2526-I2544 HydrophobicContact CD2-CD1 4.14Å; L2526-I2544 HydrophobicContact CD2-CG1 4.05Å; L2530-I2544 HydrophobicContact CD1-CD1 4.47Å; L2530-I2544 HydrophobicContact CD2-CD1 4.36Å; L2530-I2544 HydrophobicContact CD2-CG1 4.39Å; A2542-I2544 PolarHBondContact O-N 3.27Å; A2542-I2544 VanDerWaalsContact O-N 3.14Å; I2544-S2546 PolarHBondContact O-N 3.23Å; I2544-R2549 HydrophobicContact CG2-CB 4.04Å; I2544-R2549 HydrophobicContact CG2-CG 4.39Å; I2544-I2552 HydrophobicContact CG2-CD1 3.41Å; I2544-I2552 VanDerWaalsContact CG2-CD1 3.41Å; I2544-F2596 HydrophobicContact CD1-CE1 4.32Å; I2544-Y2599 HydrophobicContact CD1-CD1 4.34Å; I2544-Y2599 HydrophobicContact CD1-CE1 4.27Å; I2544-Y2599 HydrophobicContact CG1-CE1 4.46Å; I2544-L2641 HydrophobicContact CD1-CD1 4.03Å; I2544-L2641 HydrophobicContact CD1-CD2 3.44Å; I2544-L2641 VanDerWaalsContact CD1-CD2 3.42Å; I2544-L2641 HydrophobicContact CD1-CG 4.41Å | ||
| 2545 | S | 80.5 | Confident | 76.2 | Confident | 56.6 Ų | 56.6 | 80.2 Ų | 80.2 | 40% | 0.396 | 45% | 0.445 | S | S | . | . | trans | -54.1 | 134.8 | -179.4 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | R2543 K2547 T2548 R2549 | R2543-S2545 PolarHBondContact O-N 3.18Å; R2543-S2545 VanDerWaalsContact O-N 3.08Å; S2545-K2547 PolarHBondContact O-N 3.09Å; S2545-K2547 PolarHBondContact OG-N 3.1Å; S2545-T2548 PolarHBondContact O-N 3.27Å; S2545-T2548 PolarHBondContact O-OG1 3.03Å; S2545-T2548 VanDerWaalsContact O-OG1 3.13Å; S2545-R2549 PolarHBondContact O-N 3.15Å | ||
| 2546 | S | 79.7 | Confident | 77 | Confident | 103.4 Ų | 103.4 | 75.9 Ų | 75.9 | 72% | 0.723 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -25.4 | 176.2 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | I2544 P2550 | I2544-S2546 PolarHBondContact O-N 3.23Å; S2546-P2550 WeakPolarHBondContact O-CD 3.45Å |
| 2547 | K | 83.7 | Confident | 78 | Confident | 184.4 Ų | 184.4 | 72.9 Ų | 72.9 | 80% | 0.802 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -37 | 175.3 | -78.3 | -178.2 | 179.4 | 179.3 | 0 | 113.1 | S2545 | S2545-K2547 PolarHBondContact O-N 3.09Å; S2545-K2547 PolarHBondContact OG-N 3.1Å |
| 2548 | T | 86.9 | Confident | 79.5 | Confident | 63.4 Ų | 63.4 | 64.6 Ų | 64.6 | 39% | 0.389 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -22.8 | -178 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | S2545 P2550 S2551 I2552 | S2545-T2548 PolarHBondContact O-N 3.27Å; S2545-T2548 PolarHBondContact O-OG1 3.03Å; S2545-T2548 VanDerWaalsContact O-OG1 3.13Å; T2548-P2550 VanDerWaalsContact C-CD 3.42Å; T2548-P2550 VanDerWaalsContact C-N 3.34Å; T2548-P2550 VanDerWaalsContact O-N 3.15Å; T2548-S2551 WeakPolarHBondContact O-CB 3.2Å; T2548-S2551 PolarHBondContact O-N 3.39Å; T2548-I2552 WeakPolarHBondContact O-CG1 3.43Å; T2548-I2552 PolarHBondContact O-N 3.05Å; T2548-I2552 VanDerWaalsContact O-N 3.1Å |
| 2549 | R | 90.4 | Very high | 81.4 | Confident | 70 Ų | 70 | 59.3 Ų | 59.3 | 26% | 0.264 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -46.9 | -46.8 | -179.1 | -175 | -179.7 | -176.8 | -97.7 | 5.3 | 114.5 | I2544 S2545 S2551 I2552 L2553 D2638 D2640 | I2544-R2549 HydrophobicContact CG2-CB 4.04Å; I2544-R2549 HydrophobicContact CG2-CG 4.39Å; S2545-R2549 PolarHBondContact O-N 3.15Å; R2549-S2551 VanDerWaalsContact C-N 3.3Å; R2549-S2551 PolarHBondContact O-N 3.2Å; R2549-I2552 PolarHBondContact O-N 3.03Å; R2549-L2553 HydrophobicContact CG-CD1 3.99Å; R2549-L2553 HydrophobicContact CG-CG 4.28Å; R2549-L2553 WeakPolarHBondContact O-CB 3.21Å; R2549-L2553 VanDerWaalsContact O-CG 3.28Å; R2549-L2553 WeakPolarHBondContact O-CG 3.4Å; R2549-L2553 PolarHBondContact O-N 3.24Å; R2549-D2638 IonicContact CZ-OD1 3.41Å; R2549-D2638 IonicContact CZ-OD2 3.29Å; R2549-D2638 IonicContact NE-OD1 3.21Å; R2549-D2638 IonicContact NE-OD2 3.49Å; R2549-D2638 PolarHBondContact NE-OD2 3.28Å; R2549-D2638 VanDerWaalsContact NH2-CG 3.28Å; R2549-D2638 IonicContact NH2-OD1 2.87Å; R2549-D2638 PolarHBondContact NH2-OD1 3.24Å; R2549-D2638 IonicContact NH2-OD2 3.39Å; R2549-D2638 PolarHBondContact NH2-OD2 3.15Å; R2549-D2638 VanDerWaalsContact NH2-OD2 3.09Å; R2549-D2640 IonicContact CZ-OD2 2.95Å; R2549-D2640 IonicContact NH1-OD2 3.25Å; R2549-D2640 PolarHBondContact NH1-OD2 3.16Å; R2549-D2640 VanDerWaalsContact NH2-CB 3.29Å; R2549-D2640 VanDerWaalsContact NH2-CG 3.3Å; R2549-D2640 IonicContact NH2-OD2 3.47Å; R2549-D2640 PolarHBondContact NH2-OD2 2.92Å |
| 2550 | P | 90.1 | Very high | 83.3 | Confident | 78 Ų | 78 | 55 Ų | 55 | 51% | 0.506 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.2 | -36.2 | 179.5 | -22.9 | 35 | 0 | 0 | 0 | 113.3 | S2546 T2548 R2554 | S2546-P2550 WeakPolarHBondContact O-CD 3.45Å; T2548-P2550 VanDerWaalsContact C-CD 3.42Å; T2548-P2550 VanDerWaalsContact C-N 3.34Å; T2548-P2550 VanDerWaalsContact O-N 3.15Å; P2550-R2554 WeakPolarHBondContact O-CB 3.06Å; P2550-R2554 PolarHBondContact O-N 3.07Å; P2550-R2554 VanDerWaalsContact O-N 3.11Å |
| 2551 | S | 90.7 | Very high | 85.3 | Confident | 56.4 Ų | 56.4 | 49.8 Ų | 49.8 | 39% | 0.394 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.7 | -39.8 | 177.4 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | T2548 R2549 R2554 A2555 | T2548-S2551 WeakPolarHBondContact O-CB 3.2Å; T2548-S2551 PolarHBondContact O-N 3.39Å; R2549-S2551 VanDerWaalsContact C-N 3.3Å; R2549-S2551 PolarHBondContact O-N 3.2Å; S2551-R2554 WeakPolarHBondContact O-CB 3.4Å; S2551-R2554 PolarHBondContact O-N 3.05Å; S2551-A2555 WeakPolarHBondContact O-CB 3.4Å; S2551-A2555 PolarHBondContact O-N 3.17Å |
| 2552 | I | 92.8 | Very high | 87.2 | Confident | 3.8 Ų | 3.8 | 45.7 Ų | 45.7 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.6 | -45.8 | 177.1 | -65.8 | 157.3 | 0 | 0 | 0 | 110.9 | L2522 L2523 L2526 I2544 T2548 R2549 R2554 A2555 L2556 F2596 L2641 | L2522-I2552 HydrophobicContact CD2-CB 4.19Å; L2522-I2552 HydrophobicContact CD2-CG1 3.55Å; L2523-I2552 HydrophobicContact CD2-CG2 4.2Å; L2526-I2552 HydrophobicContact CD1-CD1 4.34Å; L2526-I2552 HydrophobicContact CD2-CD1 3.46Å; L2526-I2552 VanDerWaalsContact CD2-CD1 3.44Å; L2526-I2552 HydrophobicContact CD2-CG1 4.08Å; L2526-I2552 HydrophobicContact CD2-CG2 4.3Å; I2544-I2552 HydrophobicContact CG2-CD1 3.41Å; I2544-I2552 VanDerWaalsContact CG2-CD1 3.41Å; T2548-I2552 WeakPolarHBondContact O-CG1 3.43Å; T2548-I2552 PolarHBondContact O-N 3.05Å; T2548-I2552 VanDerWaalsContact O-N 3.1Å; R2549-I2552 PolarHBondContact O-N 3.03Å; I2552-R2554 VanDerWaalsContact C-N 3.26Å; I2552-R2554 PolarHBondContact O-N 3.18Å; I2552-A2555 WeakPolarHBondContact O-CB 3.41Å; I2552-A2555 PolarHBondContact O-N 3Å; I2552-A2555 VanDerWaalsContact O-N 3.09Å; I2552-L2556 HydrophobicContact CG2-CD1 4.16Å; I2552-L2556 HydrophobicContact CG2-CG 4.43Å; I2552-L2556 WeakPolarHBondContact O-CG 3.38Å; I2552-L2556 PolarHBondContact O-N 3.24Å; I2552-F2596 HydrophobicContact CG2-CD1 4.27Å; I2552-F2596 HydrophobicContact CG2-CE1 3.66Å; I2552-F2596 HydrophobicContact CG2-CZ 4.46Å; I2552-L2641 HydrophobicContact CG2-CD1 3.79Å |
| 2553 | L | 93.3 | Very high | 88.9 | Confident | 23 Ų | 23 | 43.8 Ų | 43.8 | 12% | 0.12 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.3 | -34.8 | 175.9 | -70.1 | 173.7 | 0 | 0 | 0 | 112.3 | R2549 Y2557 D2640 L2641 K2644 | R2549-L2553 HydrophobicContact CG-CD1 3.99Å; R2549-L2553 HydrophobicContact CG-CG 4.28Å; R2549-L2553 WeakPolarHBondContact O-CB 3.21Å; R2549-L2553 VanDerWaalsContact O-CG 3.28Å; R2549-L2553 WeakPolarHBondContact O-CG 3.4Å; R2549-L2553 PolarHBondContact O-N 3.24Å; L2553-Y2557 PolarHBondContact O-N 3.11Å; L2553-D2640 HydrophobicContact CD1-CB 4.35Å; L2553-D2640 HydrophobicContact CD2-CB 4.03Å; L2553-L2641 HydrophobicContact CD2-CB 4.27Å; L2553-L2641 HydrophobicContact CD2-CD1 3.97Å; L2553-K2644 HydrophobicContact CB-CG 4.23Å; L2553-K2644 HydrophobicContact CD2-CB 4.11Å; L2553-K2644 HydrophobicContact CD2-CG 3.72Å |
| 2554 | R | 92.8 | Very high | 90 | Very high | 84 Ų | 84 | 38.2 Ų | 38.2 | 32% | 0.317 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -70.7 | -45.4 | 171.7 | -179 | 175.3 | -76 | 131.2 | -6.7 | 111.1 | Q2484 R2485 Q2486 F2519 P2550 S2551 I2552 L2556 Y2557 T2558 | Q2484-R2554 VanDerWaalsContact O-CD 3.32Å; Q2484-R2554 WeakPolarHBondContact O-CD 3.37Å; Q2484-R2554 PolarHBondContact O-NE 3.06Å; Q2484-R2554 VanDerWaalsContact O-NE 3.16Å; Q2484-R2554 PolarHBondContact O-NH1 3.1Å; Q2484-R2554 VanDerWaalsContact O-NH1 3.15Å; Q2484-R2554 PolarHBondContact O-NH2 3.45Å; R2485-R2554 PolarHBondContact O-NH2 3.12Å; R2485-R2554 VanDerWaalsContact O-NH2 3.12Å; Q2486-R2554 PolarHBondContact O-NH2 3.35Å; F2519-R2554 HydrophobicContact CE1-CG 3.96Å; F2519-R2554 HydrophobicContact CZ-CG 4.22Å; P2550-R2554 WeakPolarHBondContact O-CB 3.06Å; P2550-R2554 PolarHBondContact O-N 3.07Å; P2550-R2554 VanDerWaalsContact O-N 3.11Å; S2551-R2554 WeakPolarHBondContact O-CB 3.4Å; S2551-R2554 PolarHBondContact O-N 3.05Å; I2552-R2554 VanDerWaalsContact C-N 3.26Å; I2552-R2554 PolarHBondContact O-N 3.18Å; R2554-L2556 PolarHBondContact O-N 2.98Å; R2554-Y2557 WeakPolarHBondContact O-CB 3.39Å; R2554-Y2557 PolarHBondContact O-N 3.14Å; R2554-T2558 VanDerWaalsContact O-CB 3.24Å; R2554-T2558 WeakPolarHBondContact O-CB 3.41Å; R2554-T2558 PolarHBondContact O-N 3.14Å; R2554-T2558 PolarHBondContact O-OG1 3.33Å |
| 2555 | A | 94.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.8 | -50.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F2519 L2522 L2523 S2551 I2552 Y2557 T2558 V2559 | F2519-A2555 HydrophobicContact CB-CB 4.05Å; F2519-A2555 HydrophobicContact CD1-CB 3.85Å; F2519-A2555 HydrophobicContact CG-CB 4.38Å; L2522-A2555 HydrophobicContact CD2-CB 4.13Å; L2523-A2555 HydrophobicContact CD1-CB 4.31Å; L2523-A2555 HydrophobicContact CD2-CB 3.82Å; L2523-A2555 HydrophobicContact CG-CB 3.93Å; S2551-A2555 WeakPolarHBondContact O-CB 3.4Å; S2551-A2555 PolarHBondContact O-N 3.17Å; I2552-A2555 WeakPolarHBondContact O-CB 3.41Å; I2552-A2555 PolarHBondContact O-N 3Å; I2552-A2555 VanDerWaalsContact O-N 3.09Å; A2555-Y2557 VanDerWaalsContact C-N 3.3Å; A2555-Y2557 PolarHBondContact O-N 3.31Å; A2555-T2558 PolarHBondContact O-N 3.19Å; A2555-T2558 VanDerWaalsContact O-N 3.17Å; A2555-V2559 VanDerWaalsContact O-CB 3.3Å; A2555-V2559 WeakPolarHBondContact O-CB 3.36Å; A2555-V2559 VanDerWaalsContact O-CG2 3.27Å; A2555-V2559 WeakPolarHBondContact O-CG2 3.36Å; A2555-V2559 PolarHBondContact O-N 3.11Å |
| 2556 | L | 95.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -53.8 | -44.2 | 177.3 | -71.3 | 169.6 | 0 | 0 | 0 | 112.6 | L2523 I2552 R2554 L2593 F2596 L2641 K2644 A2645 | L2523-L2556 HydrophobicContact CD1-CD2 4Å; L2523-L2556 HydrophobicContact CD2-CD2 3.76Å; L2523-L2556 HydrophobicContact CD2-CG 3.85Å; I2552-L2556 HydrophobicContact CG2-CD1 4.16Å; I2552-L2556 HydrophobicContact CG2-CG 4.43Å; I2552-L2556 WeakPolarHBondContact O-CG 3.38Å; I2552-L2556 PolarHBondContact O-N 3.24Å; R2554-L2556 PolarHBondContact O-N 2.98Å; L2556-L2593 HydrophobicContact CD2-CD2 3.81Å; L2556-F2596 HydrophobicContact CD1-CB 4.39Å; L2556-F2596 HydrophobicContact CD1-CD1 4.02Å; L2556-F2596 HydrophobicContact CD1-CG 4.42Å; L2556-F2596 HydrophobicContact CD2-CB 3.78Å; L2556-F2596 HydrophobicContact CD2-CD1 3.97Å; L2556-F2596 HydrophobicContact CD2-CD2 4.09Å; L2556-F2596 HydrophobicContact CD2-CE1 4.48Å; L2556-F2596 HydrophobicContact CD2-CG 3.69Å; L2556-F2596 HydrophobicContact CG-CD1 4.42Å; L2556-L2641 HydrophobicContact CD1-CD1 3.51Å; L2556-L2641 VanDerWaalsContact CD1-CD1 3.47Å; L2556-L2641 HydrophobicContact CD1-CG 4.08Å; L2556-K2644 HydrophobicContact CB-CB 4.12Å; L2556-K2644 HydrophobicContact CD1-CB 4.3Å; L2556-A2645 HydrophobicContact CD1-CB 4.2Å; L2556-A2645 HydrophobicContact CD2-CB 4.19Å |
| 2557 | Y | 94.2 | Very high | 90.7 | Very high | 9.4 Ų | 9.4 | 34.9 Ų | 34.9 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69 | -46.5 | 178.4 | -172 | -91.8 | 0 | 0 | 0 | 112.2 | R2488 V2491 D2492 L2553 R2554 A2555 L2561 K2644 T2647 F2651 | R2488-Y2557 HydrophobicContact CG-CE1 4.16Å; R2488-Y2557 HydrophobicContact CG-CE2 4.16Å; R2488-Y2557 VanDerWaalsContact CG-CZ 3.49Å; R2488-Y2557 VanDerWaalsContact CG-OH 3.32Å; R2488-Y2557 WeakPolarHBondContact CG-OH 3.33Å; R2488-Y2557 PolarHBondContact NE-OH 3.19Å; R2488-Y2557 PolarHBondContact NH2-OH 3.08Å; V2491-Y2557 HydrophobicContact CG1-CE1 4.34Å; D2492-Y2557 VanDerWaalsContact CG-OH 3.23Å; D2492-Y2557 VanDerWaalsContact OD1-CE1 3.27Å; D2492-Y2557 WeakPolarHBondContact OD1-CE1 3.44Å; D2492-Y2557 VanDerWaalsContact OD1-CZ 3.3Å; D2492-Y2557 PolarHBondContact OD1-OH 3.21Å; D2492-Y2557 PolarHBondContact OD2-OH 3Å; D2492-Y2557 VanDerWaalsContact OD2-OH 3.09Å; L2553-Y2557 PolarHBondContact O-N 3.11Å; R2554-Y2557 WeakPolarHBondContact O-CB 3.39Å; R2554-Y2557 PolarHBondContact O-N 3.14Å; A2555-Y2557 VanDerWaalsContact C-N 3.3Å; A2555-Y2557 PolarHBondContact O-N 3.31Å; Y2557-L2561 HydrophobicContact CD1-CD2 4.38Å; Y2557-L2561 HydrophobicContact CE1-CD2 3.74Å; Y2557-L2561 VanDerWaalsContact O-CB 3.29Å; Y2557-L2561 WeakPolarHBondContact O-CB 3.28Å; Y2557-L2561 PolarHBondContact O-N 3.18Å; Y2557-L2561 VanDerWaalsContact O-N 3.15Å; Y2557-K2644 HydrophobicContact CD2-CD 4.04Å; Y2557-K2644 HydrophobicContact CG-CD 4.49Å; Y2557-T2647 HydrophobicContact CD2-CG2 4.01Å; Y2557-T2647 HydrophobicContact CE2-CG2 3.72Å; Y2557-F2651 HydrophobicContact CD1-CE2 4.44Å; Y2557-F2651 AromaticContact CD2-CE2 3.96Å; Y2557-F2651 HydrophobicContact CD2-CE2 4.03Å; Y2557-F2651 AromaticContact CE1-CE2 3.95Å; Y2557-F2651 HydrophobicContact CE1-CE2 4.03Å; Y2557-F2651 AromaticContact CE2-CE2 3.49Å; Y2557-F2651 HydrophobicContact CE2-CE2 3.49Å; Y2557-F2651 VanDerWaalsContact CE2-CE2 3.43Å; Y2557-F2651 AromaticContact CE2-CZ 3.86Å; Y2557-F2651 HydrophobicContact CE2-CZ 3.86Å; Y2557-F2651 HydrophobicContact CG-CE2 4.43Å; Y2557-F2651 AromaticContact CZ-CE2 3.46Å; Y2557-F2651 VanDerWaalsContact CZ-CE2 3.45Å; Y2557-F2651 AromaticContact CZ-CZ 3.76Å; Y2557-F2651 WeakPolarHBondContact OH-CZ 3.44Å |
| 2558 | T | 93.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -76.5 | -37.4 | -170.4 | -52.6 | 0 | 0 | 0 | 0 | 112 | V2483 L2495 F2519 R2554 A2555 L2561 I2562 | V2483-T2558 HydrophobicContact CG1-CG2 3.57Å; V2483-T2558 VanDerWaalsContact CG1-CG2 3.49Å; L2495-T2558 HydrophobicContact CD1-CG2 4.21Å; F2519-T2558 HydrophobicContact CD2-CG2 3.81Å; F2519-T2558 HydrophobicContact CE2-CG2 3.69Å; F2519-T2558 HydrophobicContact CG-CG2 4.41Å; F2519-T2558 HydrophobicContact CZ-CG2 4.4Å; R2554-T2558 VanDerWaalsContact O-CB 3.24Å; R2554-T2558 WeakPolarHBondContact O-CB 3.41Å; R2554-T2558 PolarHBondContact O-N 3.14Å; R2554-T2558 PolarHBondContact O-OG1 3.33Å; A2555-T2558 PolarHBondContact O-N 3.19Å; A2555-T2558 VanDerWaalsContact O-N 3.17Å; T2558-L2561 PolarHBondContact O-N 3.03Å; T2558-I2562 HydrophobicContact CG2-CD1 3.92Å; T2558-I2562 HydrophobicContact CG2-CG1 4.3Å; T2558-I2562 WeakPolarHBondContact O-CB 3.38Å; T2558-I2562 VanDerWaalsContact O-CG1 3.28Å; T2558-I2562 WeakPolarHBondContact O-CG1 3.44Å; T2558-I2562 PolarHBondContact O-N 2.92Å |
| 2559 | V | 94.1 | Very high | 88.9 | Confident | 0.4 Ų | 0.4 | 29.1 Ų | 29.1 | 0% | 0.002 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.5 | -52.9 | 175.6 | 165.7 | 0 | 0 | 0 | 0 | 110.3 | F2516 F2519 Y2520 L2523 A2555 L2561 I2562 C2563 V2589 | F2516-V2559 HydrophobicContact CE2-CB 4.39Å; F2516-V2559 HydrophobicContact CE2-CG1 3.81Å; F2516-V2559 HydrophobicContact CE2-CG2 4.5Å; F2516-V2559 HydrophobicContact CZ-CG1 4.41Å; F2519-V2559 HydrophobicContact CB-CG2 3.72Å; Y2520-V2559 HydrophobicContact CD2-CG1 4.37Å; L2523-V2559 HydrophobicContact CD1-CB 4.31Å; L2523-V2559 HydrophobicContact CD1-CG1 4.49Å; L2523-V2559 HydrophobicContact CD1-CG2 3.96Å; A2555-V2559 VanDerWaalsContact O-CB 3.3Å; A2555-V2559 WeakPolarHBondContact O-CB 3.36Å; A2555-V2559 VanDerWaalsContact O-CG2 3.27Å; A2555-V2559 WeakPolarHBondContact O-CG2 3.36Å; A2555-V2559 PolarHBondContact O-N 3.11Å; V2559-L2561 VanDerWaalsContact C-N 3.29Å; V2559-L2561 PolarHBondContact O-N 3.19Å; V2559-I2562 PolarHBondContact O-N 3.31Å; V2559-I2562 VanDerWaalsContact O-N 3.16Å; V2559-C2563 PolarHBondContact O-N 3.26Å; V2559-C2563 PolarHBondContact O-SG 3.25Å; V2559-C2563 VanDerWaalsContact O-SG 3.33Å; V2559-V2589 HydrophobicContact CG1-CG1 3.69Å |
| 2560 | G | 92.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.7 | -38.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | C2563 K2564 G2648 F2651 L2652 | G2560-C2563 PolarHBondContact O-N 3.06Å; G2560-K2564 PolarHBondContact O-N 3.14Å; G2560-K2564 VanDerWaalsContact O-N 3.1Å; G2560-G2648 VanDerWaalsContact CA-O 3.27Å; G2560-G2648 WeakPolarHBondContact CA-O 3.37Å; G2560-F2651 WeakPolarHBondContact O-CB 3.4Å; G2560-L2652 PolarHBondContact O-N 3.36Å |
| 2561 | L | 92 | Very high | 85 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.6 | -32.3 | 177.8 | -168.9 | 59 | 0 | 0 | 0 | 113.2 | V2491 D2492 L2495 Y2557 T2558 V2559 K2564 Y2565 F2651 | V2491-L2561 HydrophobicContact CG1-CD2 4.18Å; D2492-L2561 VanDerWaalsContact OD1-CD2 3.23Å; D2492-L2561 WeakPolarHBondContact OD1-CD2 3.14Å; L2495-L2561 HydrophobicContact CB-CD2 4.44Å; L2495-L2561 HydrophobicContact CB-CG 4.44Å; L2495-L2561 HydrophobicContact CD1-CB 4.01Å; L2495-L2561 HydrophobicContact CD1-CD2 3.54Å; L2495-L2561 VanDerWaalsContact CD1-CD2 3.46Å; L2495-L2561 HydrophobicContact CD1-CG 3.63Å; L2495-L2561 HydrophobicContact CG-CD2 4.5Å; Y2557-L2561 HydrophobicContact CD1-CD2 4.38Å; Y2557-L2561 HydrophobicContact CE1-CD2 3.74Å; Y2557-L2561 VanDerWaalsContact O-CB 3.29Å; Y2557-L2561 WeakPolarHBondContact O-CB 3.28Å; Y2557-L2561 PolarHBondContact O-N 3.18Å; Y2557-L2561 VanDerWaalsContact O-N 3.15Å; T2558-L2561 PolarHBondContact O-N 3.03Å; V2559-L2561 VanDerWaalsContact C-N 3.29Å; V2559-L2561 PolarHBondContact O-N 3.19Å; L2561-K2564 HydrophobicContact CD1-CD 4.02Å; L2561-K2564 VanDerWaalsContact O-CB 3.31Å; L2561-K2564 WeakPolarHBondContact O-CB 3.39Å; L2561-K2564 PolarHBondContact O-N 3.11Å; L2561-Y2565 HydrophobicContact CD1-CD2 4.28Å; L2561-Y2565 HydrophobicContact CD1-CE2 3.73Å; L2561-Y2565 HydrophobicContact CG-CD2 4.43Å; L2561-Y2565 HydrophobicContact CG-CE2 4.21Å; L2561-Y2565 VanDerWaalsContact O-CD2 3.28Å; L2561-Y2565 WeakPolarHBondContact O-CD2 3.45Å; L2561-Y2565 PolarHBondContact O-N 3.12Å; L2561-F2651 HydrophobicContact CB-CD2 3.76Å; L2561-F2651 HydrophobicContact CB-CE2 4.19Å; L2561-F2651 HydrophobicContact CB-CG 4.44Å; L2561-F2651 HydrophobicContact CD1-CB 4.47Å; L2561-F2651 HydrophobicContact CD1-CD1 4.26Å; L2561-F2651 HydrophobicContact CD1-CD2 3.84Å; L2561-F2651 HydrophobicContact CD1-CE1 4.43Å; L2561-F2651 HydrophobicContact CD1-CE2 3.99Å; L2561-F2651 HydrophobicContact CD1-CG 4.01Å; L2561-F2651 HydrophobicContact CD1-CZ 4.33Å; L2561-F2651 HydrophobicContact CD2-CE2 4.35Å; L2561-F2651 HydrophobicContact CG-CD2 4.31Å; L2561-F2651 HydrophobicContact CG-CE2 4.43Å |
| 2562 | I | 92.7 | Very high | 83 | Confident | 1.4 Ų | 1.4 | 35.6 Ų | 35.6 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.3 | -47.1 | 170.8 | -71.5 | 167 | 0 | 0 | 0 | 109.7 | L2495 V2512 F2516 T2558 V2559 K2564 Y2565 F2566 L2568 | L2495-I2562 HydrophobicContact CD1-CG1 4.21Å; L2495-I2562 HydrophobicContact CD2-CG1 3.77Å; V2512-I2562 HydrophobicContact CG1-CG2 4.37Å; F2516-I2562 HydrophobicContact CB-CD1 4.22Å; F2516-I2562 HydrophobicContact CB-CG2 4.27Å; F2516-I2562 HydrophobicContact CD2-CB 4.23Å; F2516-I2562 HydrophobicContact CD2-CD1 4.42Å; F2516-I2562 HydrophobicContact CD2-CG2 3.82Å; F2516-I2562 HydrophobicContact CG-CG2 4.43Å; T2558-I2562 HydrophobicContact CG2-CD1 3.92Å; T2558-I2562 HydrophobicContact CG2-CG1 4.3Å; T2558-I2562 WeakPolarHBondContact O-CB 3.38Å; T2558-I2562 VanDerWaalsContact O-CG1 3.28Å; T2558-I2562 WeakPolarHBondContact O-CG1 3.44Å; T2558-I2562 PolarHBondContact O-N 2.92Å; V2559-I2562 PolarHBondContact O-N 3.31Å; V2559-I2562 VanDerWaalsContact O-N 3.16Å; I2562-K2564 PolarHBondContact O-N 3.13Å; I2562-Y2565 PolarHBondContact O-N 3.16Å; I2562-F2566 HydrophobicContact CG2-CB 4.38Å; I2562-F2566 HydrophobicContact CG2-CD2 3.96Å; I2562-F2566 HydrophobicContact CG2-CG 4.5Å; I2562-F2566 WeakPolarHBondContact O-CD2 3.42Å; I2562-F2566 PolarHBondContact O-N 3.2Å; I2562-L2568 HydrophobicContact CG2-CD1 4.38Å; I2562-L2568 HydrophobicContact CG2-CD2 4.44Å |
| 2563 | C | 90.8 | Very high | 80.7 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.034 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.5 | -31.3 | 177.3 | -64.2 | 0 | 0 | 0 | 0 | 112.7 | V2559 G2560 Y2565 L2652 R2655 | V2559-C2563 PolarHBondContact O-N 3.26Å; V2559-C2563 PolarHBondContact O-SG 3.25Å; V2559-C2563 VanDerWaalsContact O-SG 3.33Å; G2560-C2563 PolarHBondContact O-N 3.06Å; C2563-Y2565 VanDerWaalsContact C-N 3.33Å; C2563-Y2565 PolarHBondContact O-N 3.14Å; C2563-L2652 HydrophobicContact CB-CB 4.14Å; C2563-L2652 HydrophobicContact CB-CD1 4.1Å; C2563-L2652 HydrophobicContact CB-CG 3.95Å; C2563-R2655 VanDerWaalsContact O-CD 3.29Å; C2563-R2655 WeakPolarHBondContact O-CD 3.34Å |
| 2564 | K | 89.8 | Confident | 78.2 | Confident | 39.4 Ų | 39.4 | 50.1 Ų | 50.1 | 17% | 0.171 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.5 | -41.5 | 171.9 | -173.1 | -171.6 | 173.2 | -170.3 | 0 | 112.8 | G2560 L2561 I2562 F2651 F2654 R2655 Q2708 | G2560-K2564 PolarHBondContact O-N 3.14Å; G2560-K2564 VanDerWaalsContact O-N 3.1Å; L2561-K2564 HydrophobicContact CD1-CD 4.02Å; L2561-K2564 VanDerWaalsContact O-CB 3.31Å; L2561-K2564 WeakPolarHBondContact O-CB 3.39Å; L2561-K2564 PolarHBondContact O-N 3.11Å; I2562-K2564 PolarHBondContact O-N 3.13Å; K2564-F2651 HydrophobicContact CB-CB 4.24Å; K2564-F2651 VanDerWaalsContact CB-O 3.29Å; K2564-F2651 WeakPolarHBondContact CB-O 3.36Å; K2564-F2651 HydrophobicContact CD-CB 4.41Å; K2564-F2651 HydrophobicContact CD-CD1 4.43Å; K2564-F2651 WeakPolarHBondContact CG-O 3.41Å; K2564-F2654 HydrophobicContact CD-CD2 4.35Å; K2564-F2654 HydrophobicContact CG-CB 4.41Å; K2564-R2655 WeakPolarHBondContact O-CD 3.34Å; K2564-R2655 PolarHBondContact O-NH1 3.24Å; K2564-Q2708 VanDerWaalsContact CE-OE1 3.23Å |
| 2565 | Y | 88 | Confident | 75.8 | Confident | 48 Ų | 48 | 53.3 Ų | 53.3 | 19% | 0.188 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -101 | -26.3 | -169.3 | -72.9 | -63.8 | 0 | 0 | 0 | 114.5 | L2495 S2496 A2499 N2503 L2561 I2562 C2563 R2655 | L2495-Y2565 HydrophobicContact CB-CD2 3.99Å; L2495-Y2565 HydrophobicContact CB-CE2 4.12Å; S2496-Y2565 WeakPolarHBondContact CB-OH 3.35Å; S2496-Y2565 WeakPolarHBondContact OG-CE1 3.26Å; S2496-Y2565 PolarHBondContact OG-OH 3.26Å; S2496-Y2565 VanDerWaalsContact OG-OH 3.1Å; A2499-Y2565 HydrophobicContact CB-CD1 3.87Å; A2499-Y2565 HydrophobicContact CB-CE1 4.5Å; A2499-Y2565 HydrophobicContact CB-CG 3.98Å; N2503-Y2565 PolarHBondContact ND2-O 3.1Å; L2561-Y2565 HydrophobicContact CD1-CD2 4.28Å; L2561-Y2565 HydrophobicContact CD1-CE2 3.73Å; L2561-Y2565 HydrophobicContact CG-CD2 4.43Å; L2561-Y2565 HydrophobicContact CG-CE2 4.21Å; L2561-Y2565 VanDerWaalsContact O-CD2 3.28Å; L2561-Y2565 WeakPolarHBondContact O-CD2 3.45Å; L2561-Y2565 PolarHBondContact O-N 3.12Å; I2562-Y2565 PolarHBondContact O-N 3.16Å; C2563-Y2565 VanDerWaalsContact C-N 3.33Å; C2563-Y2565 PolarHBondContact O-N 3.14Å; Y2565-R2655 PolarHBondContact O-NH1 3.21Å |
| 2566 | F | 87.3 | Confident | 73.2 | Confident | 2.8 Ų | 2.8 | 60.9 Ų | 60.9 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | trans | -119.6 | 136.1 | -174.7 | -60.8 | -85.5 | 0 | 0 | 0 | 112.1 | L2495 L2498 A2499 V2502 N2503 Q2509 V2512 I2562 L2568 R2655 | L2495-F2566 HydrophobicContact CD2-CE2 4.2Å; L2498-F2566 HydrophobicContact CB-CZ 4.29Å; L2498-F2566 HydrophobicContact CD2-CE2 4.28Å; L2498-F2566 HydrophobicContact CD2-CZ 4.18Å; L2498-F2566 HydrophobicContact CG-CZ 4.13Å; A2499-F2566 VanDerWaalsContact CA-CZ 3.5Å; A2499-F2566 HydrophobicContact CB-CE1 4.46Å; A2499-F2566 HydrophobicContact CB-CE2 4.37Å; A2499-F2566 HydrophobicContact CB-CZ 4.03Å; V2502-F2566 HydrophobicContact CB-CE1 3.98Å; V2502-F2566 HydrophobicContact CG1-CD1 4.43Å; V2502-F2566 HydrophobicContact CG1-CE1 3.84Å; N2503-F2566 WeakPolarHBondContact OD1-CD1 3.39Å; Q2509-F2566 HydrophobicContact CG-CD1 4.44Å; V2512-F2566 HydrophobicContact CB-CE1 4.46Å; V2512-F2566 HydrophobicContact CG1-CD1 4.14Å; V2512-F2566 HydrophobicContact CG1-CD2 3.83Å; V2512-F2566 HydrophobicContact CG1-CE1 4.07Å; V2512-F2566 HydrophobicContact CG1-CE2 3.76Å; V2512-F2566 HydrophobicContact CG1-CG 4.02Å; V2512-F2566 HydrophobicContact CG1-CZ 3.87Å; V2512-F2566 HydrophobicContact CG2-CE1 4.13Å; V2512-F2566 HydrophobicContact CG2-CZ 4.16Å; I2562-F2566 HydrophobicContact CG2-CB 4.38Å; I2562-F2566 HydrophobicContact CG2-CD2 3.96Å; I2562-F2566 HydrophobicContact CG2-CG 4.5Å; I2562-F2566 WeakPolarHBondContact O-CD2 3.42Å; I2562-F2566 PolarHBondContact O-N 3.2Å; F2566-L2568 HydrophobicContact CB-CD2 4.35Å; F2566-R2655 VanDerWaalsContact N-NH1 3.15Å | ||
| 2567 | T | 78.8 | Confident | 70.4 | Confident | 59.8 Ų | 59.8 | 70.8 Ų | 70.8 | 37% | 0.367 | 33% | 0.333 | S | S | . | . | trans | -79.1 | 116.3 | 161.6 | 30.3 | 0 | 0 | 0 | 0 | 107.4 | Q2509 D2569 R2655 | Q2509-T2567 PolarHBondContact OE1-O 3.09Å; T2567-D2569 WeakPolarHBondContact CB-OD2 3.39Å; T2567-D2569 WeakPolarHBondContact CG2-OD2 3.4Å; T2567-D2569 PolarHBondContact O-N 2.95Å; T2567-R2655 VanDerWaalsContact N-NH2 3.17Å; T2567-R2655 PolarHBondContact OG1-NH2 3.4Å | ||
| 2568 | L | 71.8 | Confident | 67.6 | Low | 27.2 Ų | 27.2 | 75.4 Ų | 75.4 | 14% | 0.142 | 37% | 0.366 | C | S | . | . | trans | -91.3 | 79.7 | 177.9 | -59.9 | 173.8 | 0 | 0 | 0 | 108.6 | I2513 F2516 I2562 F2566 Y2570 S2571 L2585 | I2513-L2568 HydrophobicContact CG1-CD2 4.16Å; F2516-L2568 HydrophobicContact CD1-CD1 3.93Å; F2516-L2568 HydrophobicContact CD2-CD1 3.63Å; F2516-L2568 HydrophobicContact CE1-CD1 3.77Å; F2516-L2568 HydrophobicContact CE2-CD1 3.41Å; F2516-L2568 VanDerWaalsContact CE2-CD1 3.41Å; F2516-L2568 HydrophobicContact CG-CD1 3.87Å; F2516-L2568 HydrophobicContact CG-CD2 4.43Å; F2516-L2568 HydrophobicContact CZ-CD1 3.5Å; F2516-L2568 VanDerWaalsContact CZ-CD1 3.45Å; I2562-L2568 HydrophobicContact CG2-CD1 4.38Å; I2562-L2568 HydrophobicContact CG2-CD2 4.44Å; F2566-L2568 HydrophobicContact CB-CD2 4.35Å; L2568-Y2570 VanDerWaalsContact C-N 3.34Å; L2568-Y2570 PolarHBondContact O-N 3.24Å; L2568-S2571 PolarHBondContact O-N 2.75Å; L2568-L2585 HydrophobicContact CB-CD2 4.2Å; L2568-L2585 HydrophobicContact CD1-CD2 4.26Å | ||
| 2569 | D | 60.9 | Low | 64.8 | Low | 99.4 Ų | 99.4 | 79 Ų | 79 | 53% | 0.532 | 40% | 0.404 | S | S | . | . | trans | -66.4 | 124.3 | -177.6 | -68.2 | -34.4 | 0 | 0 | 0 | 111 | T2567 S2571 N2573 | T2567-D2569 WeakPolarHBondContact CB-OD2 3.39Å; T2567-D2569 WeakPolarHBondContact CG2-OD2 3.4Å; T2567-D2569 PolarHBondContact O-N 2.95Å; D2569-S2571 PolarHBondContact O-N 3.2Å; D2569-N2573 PolarHBondContact O-ND2 3.28Å | ||
| 2570 | Y | 53.2 | Low | 62 | Low | 147.4 Ų | 147.4 | 86.9 Ų | 86.9 | 58% | 0.578 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -61.8 | -11.4 | -173.9 | -60.3 | -87.6 | 0 | 0 | 0 | 115.4 | L2568 F2572 N2573 N2584 L2585 | L2568-Y2570 VanDerWaalsContact C-N 3.34Å; L2568-Y2570 PolarHBondContact O-N 3.24Å; Y2570-F2572 VanDerWaalsContact C-N 3.29Å; Y2570-F2572 PolarHBondContact O-N 3.41Å; Y2570-F2572 VanDerWaalsContact O-N 3.12Å; Y2570-N2573 PolarHBondContact O-N 2.81Å; Y2570-N2584 HydrophobicContact CE1-CB 4.03Å; Y2570-N2584 WeakPolarHBondContact OH-CA 3.23Å; Y2570-N2584 WeakPolarHBondContact OH-CB 3.26Å; Y2570-N2584 PolarHBondContact OH-OD1 2.96Å; Y2570-N2584 VanDerWaalsContact OH-OD1 3.09Å; Y2570-L2585 HydrophobicContact CD1-CB 4.18Å; Y2570-L2585 HydrophobicContact CE1-CB 4.14Å |
| 2571 | S | 46.5 | Very low | 59.5 | Low | 87.4 Ų | 87.4 | 90.9 Ų | 90.9 | 61% | 0.611 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -73.8 | -26.2 | -169 | 46.6 | 0 | 0 | 0 | 0 | 114.5 | I2513 L2568 D2569 N2573 R2574 | I2513-S2571 VanDerWaalsContact CD1-CB 3.49Å; I2513-S2571 WeakPolarHBondContact CD1-OG 3.32Å; L2568-S2571 PolarHBondContact O-N 2.75Å; D2569-S2571 PolarHBondContact O-N 3.2Å; S2571-N2573 VanDerWaalsContact C-N 3.34Å; S2571-N2573 PolarHBondContact O-N 3.32Å; S2571-R2574 WeakPolarHBondContact O-CB 3.26Å; S2571-R2574 PolarHBondContact O-N 3.41Å |
| 2572 | F | 46.9 | Very low | 57.2 | Low | 107 Ų | 107 | 99.2 Ų | 99.2 | 47% | 0.469 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -77.4 | -25.3 | -176.7 | -142.3 | -96.5 | 0 | 0 | 0 | 114 | T2510 I2513 F2516 A2517 Y2570 R2574 N2575 K2576 L2585 | T2510-F2572 HydrophobicContact CG2-CZ 4.47Å; I2513-F2572 HydrophobicContact CG2-CB 4.26Å; I2513-F2572 HydrophobicContact CG2-CD1 4.24Å; I2513-F2572 HydrophobicContact CG2-CD2 4.19Å; I2513-F2572 HydrophobicContact CG2-CE2 3.9Å; I2513-F2572 HydrophobicContact CG2-CG 4.16Å; F2516-F2572 AromaticContact CD1-CE2 3.9Å; F2516-F2572 HydrophobicContact CD1-CE2 3.9Å; F2516-F2572 HydrophobicContact CD1-CZ 4.4Å; F2516-F2572 HydrophobicContact CE1-CE2 4.14Å; A2517-F2572 HydrophobicContact CB-CZ 4.15Å; Y2570-F2572 VanDerWaalsContact C-N 3.29Å; Y2570-F2572 PolarHBondContact O-N 3.41Å; Y2570-F2572 VanDerWaalsContact O-N 3.12Å; F2572-R2574 VanDerWaalsContact C-N 3.34Å; F2572-R2574 PolarHBondContact O-N 3.08Å; F2572-R2574 VanDerWaalsContact O-N 3.15Å; F2572-N2575 PolarHBondContact O-N 3.14Å; F2572-K2576 PolarHBondContact O-N 2.73Å; F2572-L2585 HydrophobicContact CB-CD2 4.11Å; F2572-L2585 HydrophobicContact CD1-CD2 4.44Å; F2572-L2585 HydrophobicContact CD2-CD2 3.76Å; F2572-L2585 HydrophobicContact CE2-CD2 4.3Å; F2572-L2585 HydrophobicContact CG-CD2 3.84Å |
| 2573 | N | 45.2 | Very low | 55.4 | Low | 105.4 Ų | 105.4 | 101.3 Ų | 101.3 | 56% | 0.564 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -79.5 | -7.1 | -176.6 | -111.2 | -2 | 0 | 0 | 0 | 114.2 | D2569 Y2570 S2571 N2575 K2576 | D2569-N2573 PolarHBondContact O-ND2 3.28Å; Y2570-N2573 PolarHBondContact O-N 2.81Å; S2571-N2573 VanDerWaalsContact C-N 3.34Å; S2571-N2573 PolarHBondContact O-N 3.32Å; N2573-N2575 VanDerWaalsContact C-N 3.34Å; N2573-N2575 PolarHBondContact O-N 3.25Å; N2573-N2575 VanDerWaalsContact O-N 3.07Å; N2573-K2576 PolarHBondContact O-N 3.18Å; N2573-K2576 VanDerWaalsContact O-N 3.15Å |
| 2574 | R | 40.3 | Very low | 54.7 | Low | 224.6 Ų | 224.6 | 105 Ų | 105 | 85% | 0.848 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -66.6 | -14.8 | -179.4 | -141.8 | 176.8 | -178.1 | -176.7 | 0.5 | 114 | S2571 F2572 | S2571-R2574 WeakPolarHBondContact O-CB 3.26Å; S2571-R2574 PolarHBondContact O-N 3.41Å; F2572-R2574 VanDerWaalsContact C-N 3.34Å; F2572-R2574 PolarHBondContact O-N 3.08Å; F2572-R2574 VanDerWaalsContact O-N 3.15Å |
| 2575 | N | 42.5 | Very low | 54.3 | Low | 151 Ų | 151 | 104.5 Ų | 104.5 | 81% | 0.807 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -88.5 | -7.9 | 179.1 | -72.8 | -8.9 | 0 | 0 | 0 | 114.5 | F2572 N2573 K2577 | F2572-N2575 PolarHBondContact O-N 3.14Å; N2573-N2575 VanDerWaalsContact C-N 3.34Å; N2573-N2575 PolarHBondContact O-N 3.25Å; N2573-N2575 VanDerWaalsContact O-N 3.07Å; N2575-K2577 PolarHBondContact O-N 3.2Å |
| 2576 | K | 41.2 | Very low | 54.2 | Low | 160 Ų | 160 | 103.9 Ų | 103.9 | 70% | 0.696 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -90.2 | 90.5 | 165.5 | -83.3 | -173.6 | 175.4 | -179 | 0 | 110.2 | F2572 N2573 S2578 | F2572-K2576 PolarHBondContact O-N 2.73Å; N2573-K2576 PolarHBondContact O-N 3.18Å; N2573-K2576 VanDerWaalsContact O-N 3.15Å; K2576-S2578 VanDerWaalsContact C-N 3.26Å; K2576-S2578 PolarHBondContact O-N 3.02Å |
| 2577 | K | 36.2 | Very low | 54.2 | Low | 209.2 Ų | 209.2 | 106.7 Ų | 106.7 | 91% | 0.91 | 56% | 0.563 | S | S | * | * | trans | -61.3 | 86.6 | 166.7 | -72.3 | -178.5 | 176.3 | 179.8 | 0 | 110.6 | N2575 | N2575-K2577 PolarHBondContact O-N 3.2Š| ||
| 2578 | S | 34.7 | Very low | 54.7 | Low | 105.6 Ų | 105.6 | 106.7 Ų | 106.7 | 74% | 0.738 | 56% | 0.559 | S | S | * | * | trans | -160.6 | 116.9 | 156.3 | -167.3 | 0 | 0 | 0 | 0 | 109.2 | K2576 M2580 | K2576-S2578 VanDerWaalsContact C-N 3.26Å; K2576-S2578 PolarHBondContact O-N 3.02Å; S2578-M2580 VanDerWaalsContact C-N 3.34Å; S2578-M2580 PolarHBondContact O-N 3.04Å; S2578-M2580 VanDerWaalsContact O-N 3.17Å | ||
| 2579 | G | 35.6 | Very low | 55.7 | Low | 76.8 Ų | 76.8 | 105.5 Ų | 105.5 | 79% | 0.792 | 55% | 0.553 | S | S | * | * | trans | -66 | 90.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2580 | M | 35 | Very low | 57.2 | Low | 165 Ų | 165 | 101 Ų | 101 | 81% | 0.813 | 53% | 0.529 | S | S | * | . | trans | -152.5 | 124.2 | 167.3 | -154 | 62.6 | 70.5 | 0 | 0 | 110.9 | S2578 | S2578-M2580 VanDerWaalsContact C-N 3.34Å; S2578-M2580 PolarHBondContact O-N 3.04Å; S2578-M2580 VanDerWaalsContact O-N 3.17Å | ||
| 2581 | S | 39.9 | Very low | 59.1 | Low | 84 Ų | 84 | 98 Ų | 98 | 59% | 0.587 | 52% | 0.523 | S | S | * | . | trans | 58.7 | 122.6 | 172 | 106 | 0 | 0 | 0 | 0 | 118.9 | S2583 | S2581-S2583 WeakPolarHBondContact CB-OG 3.35Å; S2581-S2583 PolarHBondContact O-N 3.16Å; S2581-S2583 PolarHBondContact O-OG 3.22Å; S2581-S2583 WeakPolarHBondContact OG-CB 3.3Å; S2581-S2583 PolarHBondContact OG-N 3.08Å; S2581-S2583 PolarHBondContact OG-OG 3.33Å; S2581-S2583 VanDerWaalsContact OG-OG 3.06Å | ||
| 2582 | N | 43.4 | Very low | 61.3 | Low | 176 Ų | 176 | 94.1 Ų | 94.1 | 94% | 0.941 | 50% | 0.495 | S | S | * | . | trans | -73.4 | 37.6 | 166.8 | -68.9 | -17.2 | 0 | 0 | 0 | 112.4 | ||||
| 2583 | S | 54.5 | Low | 63.6 | Low | 46.8 Ų | 46.8 | 89 Ų | 89 | 33% | 0.327 | 47% | 0.473 | S | S | . | . | trans | -70.6 | 135.7 | 176.7 | 34.5 | 0 | 0 | 0 | 0 | 109.9 | S2581 L2585 E2588 | S2581-S2583 WeakPolarHBondContact CB-OG 3.35Å; S2581-S2583 PolarHBondContact O-N 3.16Å; S2581-S2583 PolarHBondContact O-OG 3.22Å; S2581-S2583 WeakPolarHBondContact OG-CB 3.3Å; S2581-S2583 PolarHBondContact OG-N 3.08Å; S2581-S2583 PolarHBondContact OG-OG 3.33Å; S2581-S2583 VanDerWaalsContact OG-OG 3.06Å; S2583-L2585 PolarHBondContact O-N 3.15Å; S2583-E2588 WeakPolarHBondContact CB-OE1 3.39Å; S2583-E2588 PolarHBondContact OG-OE1 3.03Å | ||
| 2584 | N | 76.1 | Confident | 66 | Low | 81.2 Ų | 81.2 | 84.9 Ų | 84.9 | 43% | 0.434 | 45% | 0.45 | S | S | . | . | trans | -68.1 | 132.2 | 171.7 | -59.6 | -52.5 | 0 | 0 | 0 | 108.2 | Y2570 L2586 D2587 E2588 | Y2570-N2584 HydrophobicContact CE1-CB 4.03Å; Y2570-N2584 WeakPolarHBondContact OH-CA 3.23Å; Y2570-N2584 WeakPolarHBondContact OH-CB 3.26Å; Y2570-N2584 PolarHBondContact OH-OD1 2.96Å; Y2570-N2584 VanDerWaalsContact OH-OD1 3.09Å; N2584-L2586 HydrophobicContact CB-CB 4.45Å; N2584-L2586 PolarHBondContact O-N 3.15Å; N2584-L2586 VanDerWaalsContact O-N 3.1Å; N2584-D2587 HydrophobicContact CB-CB 4.43Å; N2584-D2587 WeakPolarHBondContact CB-OD2 3.39Å; N2584-D2587 PolarHBondContact ND2-OD2 3.12Å; N2584-D2587 VanDerWaalsContact ND2-OD2 3.12Å; N2584-D2587 WeakPolarHBondContact O-CA 3.42Å; N2584-D2587 WeakPolarHBondContact O-CB 3.34Å; N2584-D2587 PolarHBondContact O-N 2.99Å; N2584-E2588 PolarHBondContact O-N 3.13Å; N2584-E2588 VanDerWaalsContact O-N 3.12Å | ||
| 2585 | L | 83.3 | Confident | 68.5 | Low | 30.6 Ų | 30.6 | 74.9 Ų | 74.9 | 16% | 0.16 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -48.8 | -34.5 | 173.4 | 175.9 | 65.7 | 0 | 0 | 0 | 112.3 | F2516 Y2520 L2568 Y2570 F2572 S2583 E2588 V2589 | F2516-L2585 HydrophobicContact CE1-CD1 4.48Å; F2516-L2585 HydrophobicContact CE1-CD2 4.23Å; F2516-L2585 HydrophobicContact CZ-CD2 4.42Å; Y2520-L2585 HydrophobicContact CD1-CD1 4.38Å; Y2520-L2585 HydrophobicContact CE1-CD1 3.8Å; Y2520-L2585 HydrophobicContact CE2-CD1 4.44Å; L2568-L2585 HydrophobicContact CB-CD2 4.2Å; L2568-L2585 HydrophobicContact CD1-CD2 4.26Å; Y2570-L2585 HydrophobicContact CD1-CB 4.18Å; Y2570-L2585 HydrophobicContact CE1-CB 4.14Å; F2572-L2585 HydrophobicContact CB-CD2 4.11Å; F2572-L2585 HydrophobicContact CD1-CD2 4.44Å; F2572-L2585 HydrophobicContact CD2-CD2 3.76Å; F2572-L2585 HydrophobicContact CE2-CD2 4.3Å; F2572-L2585 HydrophobicContact CG-CD2 3.84Å; S2583-L2585 PolarHBondContact O-N 3.15Å; L2585-E2588 PolarHBondContact O-N 3.06Å; L2585-V2589 HydrophobicContact CD1-CG2 4.26Å; L2585-V2589 HydrophobicContact CG-CG2 4.38Å; L2585-V2589 WeakPolarHBondContact O-CB 3.45Å; L2585-V2589 WeakPolarHBondContact O-CG2 3.37Å; L2585-V2589 PolarHBondContact O-N 3.11Å |
| 2586 | L | 86 | Confident | 70.9 | Confident | 34.8 Ų | 34.8 | 67.7 Ų | 67.7 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 176.9 | -173 | 69.9 | 0 | 0 | 0 | 112.4 | N2584 E2588 V2589 V2590 L2652 H2656 L2659 | N2584-L2586 HydrophobicContact CB-CB 4.45Å; N2584-L2586 PolarHBondContact O-N 3.15Å; N2584-L2586 VanDerWaalsContact O-N 3.1Å; L2586-E2588 VanDerWaalsContact C-N 3.34Å; L2586-V2589 PolarHBondContact O-N 3.02Å; L2586-V2590 VanDerWaalsContact O-CG2 3.31Å; L2586-V2590 WeakPolarHBondContact O-CG2 3.4Å; L2586-V2590 PolarHBondContact O-N 2.94Å; L2586-L2652 HydrophobicContact CD1-CD1 3.97Å; L2586-L2652 HydrophobicContact CD1-CD2 3.83Å; L2586-L2652 HydrophobicContact CD1-CG 3.9Å; L2586-H2656 HydrophobicContact CD2-CB 4.07Å; L2586-H2656 WeakPolarHBondContact CD2-ND1 3.23Å; L2586-L2659 HydrophobicContact CD2-CD1 3.85Å; L2586-L2659 HydrophobicContact CG-CD1 4.07Å |
| 2587 | D | 86.5 | Confident | 73.4 | Confident | 61.2 Ų | 61.2 | 60.1 Ų | 60.1 | 33% | 0.327 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 178.7 | -60.6 | -36.2 | 0 | 0 | 0 | 110.1 | N2584 V2589 V2590 D2591 | N2584-D2587 HydrophobicContact CB-CB 4.43Å; N2584-D2587 WeakPolarHBondContact CB-OD2 3.39Å; N2584-D2587 PolarHBondContact ND2-OD2 3.12Å; N2584-D2587 VanDerWaalsContact ND2-OD2 3.12Å; N2584-D2587 WeakPolarHBondContact O-CA 3.42Å; N2584-D2587 WeakPolarHBondContact O-CB 3.34Å; N2584-D2587 PolarHBondContact O-N 2.99Å; D2587-V2589 VanDerWaalsContact C-N 3.32Å; D2587-V2589 PolarHBondContact O-N 3.29Å; D2587-V2590 WeakPolarHBondContact O-CB 3.4Å; D2587-V2590 PolarHBondContact O-N 3.32Å; D2587-V2590 VanDerWaalsContact O-N 3.15Å; D2587-D2591 WeakPolarHBondContact O-CB 3.32Å; D2587-D2591 VanDerWaalsContact O-CG 3.3Å; D2587-D2591 PolarHBondContact O-N 3.06Å |
| 2588 | E | 89.3 | Confident | 76 | Confident | 60.4 Ų | 60.4 | 53.3 Ų | 53.3 | 28% | 0.282 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 174.8 | -77 | -179.6 | 172.4 | 0 | 0 | 112.5 | Y2520 S2583 N2584 L2585 L2586 V2590 D2591 I2592 | Y2520-E2588 VanDerWaalsContact OH-CB 3.23Å; Y2520-E2588 WeakPolarHBondContact OH-CB 3.44Å; Y2520-E2588 VanDerWaalsContact OH-CG 3.28Å; Y2520-E2588 WeakPolarHBondContact OH-CG 3.37Å; Y2520-E2588 PolarHBondContact OH-OE1 3.21Å; Y2520-E2588 PolarHBondContact OH-OE2 3.19Å; S2583-E2588 WeakPolarHBondContact CB-OE1 3.39Å; S2583-E2588 PolarHBondContact OG-OE1 3.03Å; N2584-E2588 PolarHBondContact O-N 3.13Å; N2584-E2588 VanDerWaalsContact O-N 3.12Å; L2585-E2588 PolarHBondContact O-N 3.06Å; L2586-E2588 VanDerWaalsContact C-N 3.34Å; E2588-V2590 VanDerWaalsContact C-N 3.35Å; E2588-D2591 PolarHBondContact O-N 2.9Å; E2588-I2592 HydrophobicContact CG-CD1 4.46Å; E2588-I2592 WeakPolarHBondContact O-CB 3.37Å; E2588-I2592 WeakPolarHBondContact O-CD1 3.28Å; E2588-I2592 VanDerWaalsContact O-CG1 3.27Å; E2588-I2592 WeakPolarHBondContact O-CG1 3.32Å; E2588-I2592 PolarHBondContact O-N 3.04Å |
| 2589 | V | 92 | Very high | 78.5 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66 | -40.6 | 176.3 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | F2516 Y2520 V2559 L2585 L2586 D2587 I2592 L2593 L2652 | F2516-V2589 HydrophobicContact CZ-CG2 3.99Å; Y2520-V2589 HydrophobicContact CD2-CG2 3.95Å; Y2520-V2589 HydrophobicContact CE2-CB 4.35Å; Y2520-V2589 HydrophobicContact CE2-CG2 3.45Å; Y2520-V2589 VanDerWaalsContact CE2-CG2 3.45Å; V2559-V2589 HydrophobicContact CG1-CG1 3.69Å; L2585-V2589 HydrophobicContact CD1-CG2 4.26Å; L2585-V2589 HydrophobicContact CG-CG2 4.38Å; L2585-V2589 WeakPolarHBondContact O-CB 3.45Å; L2585-V2589 WeakPolarHBondContact O-CG2 3.37Å; L2585-V2589 PolarHBondContact O-N 3.11Å; L2586-V2589 PolarHBondContact O-N 3.02Å; D2587-V2589 VanDerWaalsContact C-N 3.32Å; D2587-V2589 PolarHBondContact O-N 3.29Å; V2589-I2592 PolarHBondContact O-N 3.07Å; V2589-L2593 HydrophobicContact CG1-CD1 3.87Å; V2589-L2593 HydrophobicContact CG1-CG 4.4Å; V2589-L2593 WeakPolarHBondContact O-CB 3.33Å; V2589-L2593 WeakPolarHBondContact O-CD1 3.35Å; V2589-L2593 VanDerWaalsContact O-CG 3.26Å; V2589-L2593 WeakPolarHBondContact O-CG 3.35Å; V2589-L2593 PolarHBondContact O-N 3.21Å; V2589-L2652 HydrophobicContact CB-CD1 4.2Å; V2589-L2652 HydrophobicContact CG1-CD1 3.56Å |
| 2590 | V | 92.6 | Very high | 81 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.03 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -48.9 | 175.1 | 167.4 | 0 | 0 | 0 | 0 | 110.6 | L2586 D2587 E2588 I2592 L2593 M2594 L2649 L2652 L2659 V2665 | L2586-V2590 VanDerWaalsContact O-CG2 3.31Å; L2586-V2590 WeakPolarHBondContact O-CG2 3.4Å; L2586-V2590 PolarHBondContact O-N 2.94Å; D2587-V2590 WeakPolarHBondContact O-CB 3.4Å; D2587-V2590 PolarHBondContact O-N 3.32Å; D2587-V2590 VanDerWaalsContact O-N 3.15Å; E2588-V2590 VanDerWaalsContact C-N 3.35Å; V2590-I2592 VanDerWaalsContact C-N 3.31Å; V2590-I2592 PolarHBondContact O-N 3.11Å; V2590-L2593 PolarHBondContact O-N 3.07Å; V2590-M2594 HydrophobicContact CG1-CE 3.97Å; V2590-M2594 HydrophobicContact CG1-CG 4.43Å; V2590-M2594 HydrophobicContact CG1-SD 3.85Å; V2590-M2594 WeakPolarHBondContact O-CB 3.35Å; V2590-M2594 WeakPolarHBondContact O-CG 3.32Å; V2590-M2594 PolarHBondContact O-N 2.94Å; V2590-L2649 HydrophobicContact CB-CD1 4.43Å; V2590-L2649 HydrophobicContact CG1-CD1 4.05Å; V2590-L2649 HydrophobicContact CG2-CD1 4.17Å; V2590-L2652 HydrophobicContact CG2-CD1 3.87Å; V2590-L2652 HydrophobicContact CG2-CD2 3.55Å; V2590-L2652 HydrophobicContact CG2-CG 4.39Å; V2590-L2659 HydrophobicContact CG2-CD1 4.07Å; V2590-V2665 HydrophobicContact CG1-CG2 3.89Å |
| 2591 | D | 92.6 | Very high | 83.4 | Confident | 83.4 Ų | 83.4 | 38.1 Ų | 38.1 | 45% | 0.446 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 178.9 | -76.8 | -14.4 | 0 | 0 | 0 | 111.9 | D2587 E2588 M2594 L2595 | D2587-D2591 WeakPolarHBondContact O-CB 3.32Å; D2587-D2591 VanDerWaalsContact O-CG 3.3Å; D2587-D2591 PolarHBondContact O-N 3.06Å; E2588-D2591 PolarHBondContact O-N 2.9Å; D2591-M2594 PolarHBondContact O-N 2.8Å; D2591-M2594 VanDerWaalsContact OD1-CE 3.23Å; D2591-M2594 WeakPolarHBondContact OD1-CE 3.42Å; D2591-L2595 VanDerWaalsContact O-CB 3.23Å; D2591-L2595 WeakPolarHBondContact O-CB 3.34Å; D2591-L2595 PolarHBondContact O-N 3.11Å |
| 2592 | I | 93.6 | Very high | 85.3 | Confident | 5.6 Ų | 5.6 | 36.6 Ų | 36.6 | 3% | 0.029 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.5 | -45.6 | 175.4 | -73.3 | 167.1 | 0 | 0 | 0 | 110.9 | Y2520 L2523 T2524 E2588 V2589 V2590 M2594 L2595 F2596 | Y2520-I2592 HydrophobicContact CE2-CD1 3.64Å; Y2520-I2592 VanDerWaalsContact OH-CD1 3.3Å; Y2520-I2592 WeakPolarHBondContact OH-CD1 3.26Å; L2523-I2592 HydrophobicContact CB-CG2 3.95Å; L2523-I2592 HydrophobicContact CD1-CG2 4.41Å; T2524-I2592 HydrophobicContact CG2-CD1 3.77Å; E2588-I2592 HydrophobicContact CG-CD1 4.46Å; E2588-I2592 WeakPolarHBondContact O-CB 3.37Å; E2588-I2592 WeakPolarHBondContact O-CD1 3.28Å; E2588-I2592 VanDerWaalsContact O-CG1 3.27Å; E2588-I2592 WeakPolarHBondContact O-CG1 3.32Å; E2588-I2592 PolarHBondContact O-N 3.04Å; V2589-I2592 PolarHBondContact O-N 3.07Å; V2590-I2592 VanDerWaalsContact C-N 3.31Å; V2590-I2592 PolarHBondContact O-N 3.11Å; I2592-M2594 VanDerWaalsContact C-N 3.31Å; I2592-M2594 PolarHBondContact O-N 3.2Å; I2592-L2595 WeakPolarHBondContact O-CB 3.39Å; I2592-L2595 PolarHBondContact O-N 3.18Å; I2592-F2596 HydrophobicContact CG2-CD2 3.92Å; I2592-F2596 HydrophobicContact CG2-CE2 3.91Å; I2592-F2596 VanDerWaalsContact O-CD2 3.3Å; I2592-F2596 WeakPolarHBondContact O-CD2 3.34Å; I2592-F2596 PolarHBondContact O-N 3.04Å; I2592-F2596 VanDerWaalsContact O-N 3.1Å |
| 2593 | L | 95 | Very high | 86.5 | Confident | 0.8 Ų | 0.8 | 33.7 Ų | 33.7 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.6 | -38.6 | 177.8 | -70.7 | 169 | 0 | 0 | 0 | 111.6 | L2556 V2589 V2590 A2597 L2649 L2652 | L2556-L2593 HydrophobicContact CD2-CD2 3.81Å; V2589-L2593 HydrophobicContact CG1-CD1 3.87Å; V2589-L2593 HydrophobicContact CG1-CG 4.4Å; V2589-L2593 WeakPolarHBondContact O-CB 3.33Å; V2589-L2593 WeakPolarHBondContact O-CD1 3.35Å; V2589-L2593 VanDerWaalsContact O-CG 3.26Å; V2589-L2593 WeakPolarHBondContact O-CG 3.35Å; V2589-L2593 PolarHBondContact O-N 3.21Å; V2590-L2593 PolarHBondContact O-N 3.07Å; L2593-A2597 WeakPolarHBondContact O-CB 3.49Å; L2593-A2597 PolarHBondContact O-N 3.29Å; L2593-L2649 HydrophobicContact CB-CB 4.21Å; L2593-L2649 HydrophobicContact CB-CD1 4.48Å; L2593-L2649 HydrophobicContact CD1-CB 4.4Å; L2593-L2652 HydrophobicContact CD1-CD1 4.26Å |
| 2594 | M | 95 | Very high | 86.6 | Confident | 18.4 Ų | 18.4 | 35.5 Ų | 35.5 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.1 | -47.7 | 172.7 | -73.2 | 179 | 28.1 | 0 | 0 | 111.3 | V2590 D2591 I2592 F2596 A2597 E2598 L2649 V2665 F2668 | V2590-M2594 HydrophobicContact CG1-CE 3.97Å; V2590-M2594 HydrophobicContact CG1-CG 4.43Å; V2590-M2594 HydrophobicContact CG1-SD 3.85Å; V2590-M2594 WeakPolarHBondContact O-CB 3.35Å; V2590-M2594 WeakPolarHBondContact O-CG 3.32Å; V2590-M2594 PolarHBondContact O-N 2.94Å; D2591-M2594 PolarHBondContact O-N 2.8Å; D2591-M2594 VanDerWaalsContact OD1-CE 3.23Å; D2591-M2594 WeakPolarHBondContact OD1-CE 3.42Å; I2592-M2594 VanDerWaalsContact C-N 3.31Å; I2592-M2594 PolarHBondContact O-N 3.2Å; M2594-F2596 VanDerWaalsContact C-N 3.32Å; M2594-F2596 PolarHBondContact O-N 3.25Å; M2594-A2597 CarbonylContact O-C 3.48Å; M2594-A2597 WeakPolarHBondContact O-CA 3.22Å; M2594-A2597 WeakPolarHBondContact O-CB 3.36Å; M2594-A2597 PolarHBondContact O-N 2.93Å; M2594-A2597 VanDerWaalsContact O-N 3.07Å; M2594-E2598 WeakPolarHBondContact O-CB 3.32Å; M2594-E2598 VanDerWaalsContact O-CG 3.27Å; M2594-E2598 WeakPolarHBondContact O-CG 3.32Å; M2594-E2598 PolarHBondContact O-N 3.04Å; M2594-L2649 HydrophobicContact CG-CD2 3.95Å; M2594-V2665 HydrophobicContact SD-CG2 4.19Å; M2594-F2668 HydrophobicContact CB-CD2 4.03Å; M2594-F2668 HydrophobicContact CB-CE2 3.87Å; M2594-F2668 HydrophobicContact CB-CG 4.46Å; M2594-F2668 HydrophobicContact CB-CZ 4.28Å; M2594-F2668 HydrophobicContact CE-CB 3.64Å; M2594-F2668 HydrophobicContact CE-CD2 3.85Å; M2594-F2668 HydrophobicContact CE-CG 3.81Å; M2594-F2668 HydrophobicContact CG-CD1 4Å; M2594-F2668 HydrophobicContact CG-CD2 3.93Å; M2594-F2668 HydrophobicContact CG-CE1 4.07Å; M2594-F2668 HydrophobicContact CG-CE2 3.96Å; M2594-F2668 HydrophobicContact CG-CG 3.95Å; M2594-F2668 HydrophobicContact CG-CZ 4.05Å; M2594-F2668 WeakPolarHBondContact O-CE2 3.36Å; M2594-F2668 HydrophobicContact SD-CB 4.16Å; M2594-F2668 HydrophobicContact SD-CD1 4.34Å; M2594-F2668 HydrophobicContact SD-CD2 4.34Å; M2594-F2668 HydrophobicContact SD-CG 4.05Å |
| 2595 | L | 93.2 | Very high | 85.2 | Confident | 15.8 Ų | 15.8 | 39.2 Ų | 39.2 | 8% | 0.083 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -53.6 | -48.2 | 177.8 | 175.9 | 74.5 | 0 | 0 | 0 | 112.6 | S2527 L2530 R2531 L2534 D2591 I2592 A2597 E2598 Y2599 | S2527-L2595 WeakPolarHBondContact O-CD2 3.31Å; L2530-L2595 HydrophobicContact CB-CD2 4.34Å; L2530-L2595 HydrophobicContact CB-CG 4.42Å; R2531-L2595 HydrophobicContact CG-CD1 3.67Å; R2531-L2595 HydrophobicContact CG-CD2 3.8Å; R2531-L2595 HydrophobicContact CG-CG 4.4Å; L2534-L2595 HydrophobicContact CD1-CD1 3.56Å; L2534-L2595 VanDerWaalsContact CD1-CD1 3.46Å; D2591-L2595 VanDerWaalsContact O-CB 3.23Å; D2591-L2595 WeakPolarHBondContact O-CB 3.34Å; D2591-L2595 PolarHBondContact O-N 3.11Å; I2592-L2595 WeakPolarHBondContact O-CB 3.39Å; I2592-L2595 PolarHBondContact O-N 3.18Å; L2595-A2597 VanDerWaalsContact C-N 3.32Å; L2595-A2597 PolarHBondContact O-N 3.28Å; L2595-E2598 WeakPolarHBondContact O-CB 3.32Å; L2595-E2598 PolarHBondContact O-N 3.21Å; L2595-Y2599 WeakPolarHBondContact O-CB 3.22Å; L2595-Y2599 PolarHBondContact O-N 3.09Å |
| 2596 | F | 93.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.2 | -38.6 | 179.3 | -89.9 | -97.8 | 0 | 0 | 0 | 112.2 | L2523 L2526 L2530 I2544 I2552 L2556 I2592 M2594 A2600 L2641 A2645 | L2523-F2596 HydrophobicContact CB-CE2 4.14Å; L2523-F2596 HydrophobicContact CB-CZ 4.36Å; L2523-F2596 HydrophobicContact CD2-CE1 4.17Å; L2523-F2596 HydrophobicContact CD2-CE2 4.11Å; L2523-F2596 HydrophobicContact CD2-CZ 3.79Å; L2526-F2596 HydrophobicContact CB-CZ 4.06Å; L2526-F2596 HydrophobicContact CD2-CE1 3.67Å; L2526-F2596 HydrophobicContact CD2-CZ 3.79Å; L2526-F2596 HydrophobicContact CG-CE1 4.33Å; L2526-F2596 HydrophobicContact CG-CZ 4.05Å; L2530-F2596 HydrophobicContact CD1-CD1 3.63Å; L2530-F2596 HydrophobicContact CD1-CD2 4.02Å; L2530-F2596 HydrophobicContact CD1-CE1 3.47Å; L2530-F2596 VanDerWaalsContact CD1-CE1 3.46Å; L2530-F2596 HydrophobicContact CD1-CE2 3.88Å; L2530-F2596 HydrophobicContact CD1-CG 3.93Å; L2530-F2596 HydrophobicContact CD1-CZ 3.61Å; I2544-F2596 HydrophobicContact CD1-CE1 4.32Å; I2552-F2596 HydrophobicContact CG2-CD1 4.27Å; I2552-F2596 HydrophobicContact CG2-CE1 3.66Å; I2552-F2596 HydrophobicContact CG2-CZ 4.46Å; L2556-F2596 HydrophobicContact CD1-CB 4.39Å; L2556-F2596 HydrophobicContact CD1-CD1 4.02Å; L2556-F2596 HydrophobicContact CD1-CG 4.42Å; L2556-F2596 HydrophobicContact CD2-CB 3.78Å; L2556-F2596 HydrophobicContact CD2-CD1 3.97Å; L2556-F2596 HydrophobicContact CD2-CD2 4.09Å; L2556-F2596 HydrophobicContact CD2-CE1 4.48Å; L2556-F2596 HydrophobicContact CD2-CG 3.69Å; L2556-F2596 HydrophobicContact CG-CD1 4.42Å; I2592-F2596 HydrophobicContact CG2-CD2 3.92Å; I2592-F2596 HydrophobicContact CG2-CE2 3.91Å; I2592-F2596 VanDerWaalsContact O-CD2 3.3Å; I2592-F2596 WeakPolarHBondContact O-CD2 3.34Å; I2592-F2596 PolarHBondContact O-N 3.04Å; I2592-F2596 VanDerWaalsContact O-N 3.1Å; M2594-F2596 VanDerWaalsContact C-N 3.32Å; M2594-F2596 PolarHBondContact O-N 3.25Å; F2596-A2600 VanDerWaalsContact O-CB 3.27Å; F2596-A2600 WeakPolarHBondContact O-CB 3.46Å; F2596-A2600 PolarHBondContact O-N 3.35Å; F2596-A2600 VanDerWaalsContact O-N 3.13Å; F2596-L2641 HydrophobicContact CD1-CD1 4.16Å; F2596-L2641 HydrophobicContact CD1-CD2 4.23Å; F2596-L2641 HydrophobicContact CD1-CG 4.33Å; F2596-A2645 HydrophobicContact CB-CB 4.09Å |
| 2597 | A | 93.1 | Very high | 80.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.6 | -37.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L2593 M2594 L2595 A2600 S2601 C2642 A2645 I2646 F2668 | L2593-A2597 WeakPolarHBondContact O-CB 3.49Å; L2593-A2597 PolarHBondContact O-N 3.29Å; M2594-A2597 CarbonylContact O-C 3.48Å; M2594-A2597 WeakPolarHBondContact O-CA 3.22Å; M2594-A2597 WeakPolarHBondContact O-CB 3.36Å; M2594-A2597 PolarHBondContact O-N 2.93Å; M2594-A2597 VanDerWaalsContact O-N 3.07Å; L2595-A2597 VanDerWaalsContact C-N 3.32Å; L2595-A2597 PolarHBondContact O-N 3.28Å; A2597-A2600 PolarHBondContact O-N 3.14Å; A2597-S2601 VanDerWaalsContact O-CB 3.29Å; A2597-S2601 WeakPolarHBondContact O-CB 3.2Å; A2597-S2601 PolarHBondContact O-N 3.19Å; A2597-S2601 VanDerWaalsContact O-N 3.1Å; A2597-S2601 PolarHBondContact O-OG 3.26Å; A2597-C2642 PolarHBondContact O-SG 3.27Å; A2597-C2642 VanDerWaalsContact O-SG 3.36Å; A2597-A2645 HydrophobicContact CB-CB 3.8Å; A2597-I2646 HydrophobicContact CB-CD1 4.22Å; A2597-I2646 HydrophobicContact CB-CG1 3.8Å; A2597-F2668 HydrophobicContact CB-CE2 4.12Å; A2597-F2668 HydrophobicContact CB-CZ 3.61Å |
| 2598 | E | 90.1 | Very high | 78.4 | Confident | 65.2 Ų | 65.2 | 51 Ų | 51 | 31% | 0.305 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.3 | -52.6 | 176.1 | -80.9 | -165.4 | 156.5 | 0 | 0 | 111.5 | L2534 M2594 L2595 A2600 S2601 V2602 F2668 R2671 | L2534-E2598 HydrophobicContact CD1-CB 4.45Å; M2594-E2598 WeakPolarHBondContact O-CB 3.32Å; M2594-E2598 VanDerWaalsContact O-CG 3.27Å; M2594-E2598 WeakPolarHBondContact O-CG 3.32Å; M2594-E2598 PolarHBondContact O-N 3.04Å; L2595-E2598 WeakPolarHBondContact O-CB 3.32Å; L2595-E2598 PolarHBondContact O-N 3.21Å; E2598-A2600 VanDerWaalsContact C-N 3.28Å; E2598-A2600 PolarHBondContact O-N 3.09Å; E2598-S2601 WeakPolarHBondContact CA-OG 3.47Å; E2598-S2601 WeakPolarHBondContact O-CA 3.32Å; E2598-S2601 PolarHBondContact O-N 3.14Å; E2598-S2601 PolarHBondContact O-OG 3.19Å; E2598-V2602 PolarHBondContact O-N 3Å; E2598-F2668 HydrophobicContact CG-CD2 4.24Å; E2598-F2668 HydrophobicContact CG-CE2 3.92Å; E2598-F2668 WeakPolarHBondContact OE1-CD2 3.29Å; E2598-R2671 VanDerWaalsContact CG-NH2 3.28Å; E2598-R2671 IonicContact OE1-CZ 3.15Å; E2598-R2671 IonicContact OE1-NH1 2.73Å; E2598-R2671 PolarHBondContact OE1-NH1 3.11Å; E2598-R2671 IonicContact OE1-NH2 3.15Å; E2598-R2671 PolarHBondContact OE1-NH2 3.47Å |
| 2599 | Y | 88.3 | Confident | 75.8 | Confident | 16.2 Ų | 16.2 | 52.8 Ų | 52.8 | 6% | 0.064 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -52 | -48.2 | 174 | 172.3 | -97.5 | 0 | 0 | 0 | 111.5 | L2530 A2533 L2534 A2542 R2543 I2544 L2595 S2601 V2602 I2637 L2641 | L2530-Y2599 HydrophobicContact CD1-CD1 4.4Å; L2530-Y2599 HydrophobicContact CD1-CG 4.44Å; L2530-Y2599 HydrophobicContact CD2-CD1 3.76Å; L2530-Y2599 HydrophobicContact CD2-CD2 3.78Å; L2530-Y2599 HydrophobicContact CD2-CE1 3.79Å; L2530-Y2599 HydrophobicContact CD2-CE2 3.79Å; L2530-Y2599 HydrophobicContact CD2-CG 3.77Å; A2533-Y2599 HydrophobicContact CB-CD2 4.27Å; A2533-Y2599 HydrophobicContact CB-CE2 4.15Å; L2534-Y2599 HydrophobicContact CD2-CD2 4.46Å; L2534-Y2599 HydrophobicContact CG-CD2 4.41Å; A2542-Y2599 HydrophobicContact CB-CE2 4.45Å; A2542-Y2599 PolarHBondContact O-OH 2.95Å; R2543-Y2599 PolarHBondContact N-OH 2.91Å; I2544-Y2599 HydrophobicContact CD1-CD1 4.34Å; I2544-Y2599 HydrophobicContact CD1-CE1 4.27Å; I2544-Y2599 HydrophobicContact CG1-CE1 4.46Å; L2595-Y2599 WeakPolarHBondContact O-CB 3.22Å; L2595-Y2599 PolarHBondContact O-N 3.09Å; Y2599-S2601 PolarHBondContact O-N 3.24Å; Y2599-V2602 PolarHBondContact O-N 3.15Å; Y2599-I2637 HydrophobicContact CE1-CG2 4.31Å; Y2599-I2637 HydrophobicContact CE2-CD1 4.37Å; Y2599-L2641 HydrophobicContact CD1-CD2 4.04Å; Y2599-L2641 HydrophobicContact CE1-CD2 4.36Å |
| 2600 | A | 88.7 | Confident | 73.2 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.5 | -26.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | F2596 A2597 E2598 M2636 I2637 D2638 L2641 C2642 | F2596-A2600 VanDerWaalsContact O-CB 3.27Å; F2596-A2600 WeakPolarHBondContact O-CB 3.46Å; F2596-A2600 PolarHBondContact O-N 3.35Å; F2596-A2600 VanDerWaalsContact O-N 3.13Å; A2597-A2600 PolarHBondContact O-N 3.14Å; E2598-A2600 VanDerWaalsContact C-N 3.28Å; E2598-A2600 PolarHBondContact O-N 3.09Å; A2600-M2636 WeakPolarHBondContact O-CB 3.12Å; A2600-I2637 PolarHBondContact O-N 3.18Å; A2600-I2637 VanDerWaalsContact O-N 3.17Å; A2600-D2638 WeakPolarHBondContact CB-O 3.37Å; A2600-D2638 PolarHBondContact O-N 3.14Å; A2600-L2641 HydrophobicContact CB-CB 4.08Å; A2600-L2641 HydrophobicContact CB-CD2 4.13Å; A2600-L2641 HydrophobicContact CB-CG 4.34Å; A2600-C2642 HydrophobicContact CB-CB 3.59Å |
| 2601 | S | 85.2 | Confident | 70.5 | Confident | 13.6 Ų | 13.6 | 64.4 Ų | 64.4 | 10% | 0.095 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -91.4 | -7.1 | -175.3 | 75.5 | 0 | 0 | 0 | 0 | 115.5 | A2597 E2598 Y2599 R2603 R2671 | A2597-S2601 VanDerWaalsContact O-CB 3.29Å; A2597-S2601 WeakPolarHBondContact O-CB 3.2Å; A2597-S2601 PolarHBondContact O-N 3.19Å; A2597-S2601 VanDerWaalsContact O-N 3.1Å; A2597-S2601 PolarHBondContact O-OG 3.26Å; E2598-S2601 WeakPolarHBondContact CA-OG 3.47Å; E2598-S2601 WeakPolarHBondContact O-CA 3.32Å; E2598-S2601 PolarHBondContact O-N 3.14Å; E2598-S2601 PolarHBondContact O-OG 3.19Å; Y2599-S2601 PolarHBondContact O-N 3.24Å; S2601-R2603 PolarHBondContact O-N 3.1Å; S2601-R2671 PolarHBondContact OG-NH1 3.45Å; S2601-R2671 PolarHBondContact OG-NH2 2.79Å |
| 2602 | V | 79.7 | Confident | 67.7 | Low | 52.6 Ų | 52.6 | 70.1 Ų | 70.1 | 32% | 0.319 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 130.8 | 178.9 | 177.8 | 0 | 0 | 0 | 0 | 109.7 | L2534 E2598 Y2599 I2637 | L2534-V2602 HydrophobicContact CD2-CG2 3.67Å; E2598-V2602 PolarHBondContact O-N 3Å; Y2599-V2602 PolarHBondContact O-N 3.15Å; V2602-I2637 HydrophobicContact CB-CD1 3.85Å; V2602-I2637 HydrophobicContact CB-CG1 4.35Å; V2602-I2637 HydrophobicContact CG1-CD1 4.27Å; V2602-I2637 WeakPolarHBondContact O-CG1 3.4Å |
| 2603 | R | 67 | Low | 65.1 | Low | 114 Ų | 114 | 75.4 Ų | 75.4 | 43% | 0.43 | 41% | 0.411 | S | S | . | . | B | Isolated β-bridge | trans | -85.5 | 132.1 | 176.9 | -62.7 | -169.7 | -177.8 | -156.2 | 3.2 | 110.4 | S2601 H2605 S2634 D2635 S2679 | S2601-R2603 PolarHBondContact O-N 3.1Å; R2603-H2605 PolarHBondContact O-N 2.83Å; R2603-S2634 PolarHBondContact NH1-OG 2.89Å; R2603-S2634 VanDerWaalsContact NH1-OG 3.16Å; R2603-D2635 WeakPolarHBondContact CG-O 3.27Å; R2603-D2635 IonicContact CZ-OD1 2.93Å; R2603-D2635 IonicContact NH1-OD1 2.69Å; R2603-D2635 PolarHBondContact NH1-OD1 2.78Å; R2603-S2679 PolarHBondContact NH1-OG 2.87Å; R2603-S2679 PolarHBondContact NH2-OG 3.38Å |
| 2604 | I | 57 | Low | 62.3 | Low | 84.4 Ų | 84.4 | 82.8 Ų | 82.8 | 43% | 0.433 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -86.7 | 113.9 | 174.1 | -57.9 | 175.7 | 0 | 0 | 0 | 108.9 | V2606 I2637 | I2604-V2606 HydrophobicContact CG2-CG2 4.1Å; I2604-V2606 PolarHBondContact O-N 3.25Å; I2604-V2606 VanDerWaalsContact O-N 3.11Å; I2604-I2637 HydrophobicContact CD1-CD1 4.16Å; I2604-I2637 HydrophobicContact CD1-CG1 4.19Å; I2604-I2637 HydrophobicContact CG1-CD1 4.23Å; I2604-I2637 HydrophobicContact CG1-CG1 4.15Å |
| 2605 | H | 47.2 | Very low | 59.8 | Low | 159.2 Ų | 159.2 | 87.5 Ų | 87.5 | 74% | 0.737 | 48% | 0.483 | S | S | * | . | trans | -79 | 98.3 | 167.9 | -116.8 | -69 | 0 | 0 | 0 | 108.9 | R2603 Q2607 | R2603-H2605 PolarHBondContact O-N 2.83Å; H2605-Q2607 VanDerWaalsContact C-N 3.26Å; H2605-Q2607 PolarHBondContact O-N 3.18Å; H2605-Q2607 VanDerWaalsContact O-N 3.1Å | ||
| 2606 | V | 41.5 | Very low | 57.1 | Low | 108.6 Ų | 108.6 | 91.7 Ų | 91.7 | 66% | 0.658 | 51% | 0.513 | S | S | * | . | trans | -74.1 | 95.8 | 172.7 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | I2604 S2608 M2632 | I2604-V2606 HydrophobicContact CG2-CG2 4.1Å; I2604-V2606 PolarHBondContact O-N 3.25Å; I2604-V2606 VanDerWaalsContact O-N 3.11Å; V2606-S2608 PolarHBondContact O-N 2.95Å; V2606-M2632 WeakPolarHBondContact O-CE 3.4Å | ||
| 2607 | Q | 37.9 | Very low | 54.3 | Low | 161.2 Ų | 161.2 | 97.2 Ų | 97.2 | 75% | 0.753 | 55% | 0.552 | S | S | * | * | trans | -82.8 | 110.4 | 167.4 | -72.8 | -177.9 | -8 | 0 | 0 | 108.7 | H2605 S2609 | H2605-Q2607 VanDerWaalsContact C-N 3.26Å; H2605-Q2607 PolarHBondContact O-N 3.18Å; H2605-Q2607 VanDerWaalsContact O-N 3.1Å; Q2607-S2609 VanDerWaalsContact C-N 3.29Å; Q2607-S2609 PolarHBondContact O-N 3.17Å; Q2607-S2609 VanDerWaalsContact O-N 3.16Å; Q2607-S2609 PolarHBondContact O-OG 2.88Å | ||
| 2608 | S | 33.8 | Very low | 51.6 | Low | 104.6 Ų | 104.6 | 103 Ų | 103 | 73% | 0.731 | 59% | 0.592 | S | S | * | * | trans | -69.1 | 91.4 | 173.2 | 32 | 0 | 0 | 0 | 0 | 110 | V2606 T2610 | V2606-S2608 PolarHBondContact O-N 2.95Å; S2608-T2610 VanDerWaalsContact C-N 3.31Å; S2608-T2610 PolarHBondContact O-N 3.1Å | ||
| 2609 | S | 33.7 | Very low | 49 | Very low | 97.2 Ų | 97.2 | 107.8 Ų | 107.8 | 68% | 0.68 | 62% | 0.617 | S | S | * | * | trans | -96.7 | 86 | 177.2 | 43.2 | 0 | 0 | 0 | 0 | 110.7 | Q2607 T2611 | Q2607-S2609 VanDerWaalsContact C-N 3.29Å; Q2607-S2609 PolarHBondContact O-N 3.17Å; Q2607-S2609 VanDerWaalsContact O-N 3.16Å; Q2607-S2609 PolarHBondContact O-OG 2.88Å; S2609-T2611 PolarHBondContact O-N 3.22Å; S2609-T2611 VanDerWaalsContact O-N 3.15Å | ||
| 2610 | T | 37.3 | Very low | 46.4 | Very low | 134.8 Ų | 134.8 | 113.6 Ų | 113.6 | 83% | 0.827 | 65% | 0.649 | S | S | * | * | trans | -87.2 | 100.1 | 165.6 | 38.9 | 0 | 0 | 0 | 0 | 108.8 | S2608 | S2608-T2610 VanDerWaalsContact C-N 3.31Å; S2608-T2610 PolarHBondContact O-N 3.1Å | ||
| 2611 | T | 36.1 | Very low | 43.9 | Very low | 116.4 Ų | 116.4 | 121.3 Ų | 121.3 | 71% | 0.714 | 69% | 0.69 | S | S | * | * | trans | -96 | 119.9 | 164.9 | 35.2 | 0 | 0 | 0 | 0 | 112.1 | S2609 S2613 | S2609-T2611 PolarHBondContact O-N 3.22Å; S2609-T2611 VanDerWaalsContact O-N 3.15Å; T2611-S2613 PolarHBondContact O-N 3.24Å | ||
| 2612 | F | 35.4 | Very low | 41.6 | Very low | 202.8 Ų | 202.8 | 128.4 Ų | 128.4 | 89% | 0.889 | 73% | 0.726 | S | S | * | * | trans | 49.6 | 117.6 | 158.3 | -74.3 | -91.4 | 0 | 0 | 0 | 118.6 | ||||
| 2613 | S | 38.6 | Very low | 39.4 | Very low | 117.2 Ų | 117.2 | 133.3 Ų | 133.3 | 82% | 0.82 | 75% | 0.75 | S | S | * | * | trans | -164.4 | 121.4 | 140.6 | 41.1 | 0 | 0 | 0 | 0 | 112.7 | T2611 | T2611-S2613 PolarHBondContact O-N 3.24Š| ||
| 2614 | N | 35.4 | Very low | 37.9 | Very low | 156.6 Ų | 156.6 | 135.3 Ų | 135.3 | 84% | 0.837 | 77% | 0.77 | S | S | * | * | trans | -74.2 | 163.4 | 169.9 | -84 | -16.8 | 0 | 0 | 0 | 111.5 | ||||
| 2615 | P | 43.1 | Very low | 36.7 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | cis | -121.3 | 154.1 | 27.5 | 37.3 | -24.3 | 0 | 0 | 0 | 114.4 | ||||
| 2616 | S | 35.8 | Very low | 35.9 | Very low | 103.4 Ų | 103.4 | 135.2 Ų | 135.2 | 72% | 0.723 | 78% | 0.782 | S | S | * | * | trans | 155 | 122.7 | 151.2 | 59.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 2617 | S | 35.9 | Very low | 35.5 | Very low | 115.2 Ų | 115.2 | 136.1 Ų | 136.1 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | 48.5 | 111.8 | 147.6 | 61 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 2618 | S | 35.7 | Very low | 35.2 | Very low | 121.4 Ų | 121.4 | 138.7 Ų | 138.7 | 85% | 0.849 | 79% | 0.792 | S | S | * | * | -171.5 | 142.9 | 107.6 | 71 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 2619 | M | 35 | Very low | 35.2 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 82% | 0.823 | 80% | 0.797 | S | S | * | * | trans | -80.8 | 159.3 | 173.4 | -85.1 | -151 | -116.7 | 0 | 0 | 112.3 | ||||
| 2620 | N | 35.4 | Very low | 35.1 | Very low | 137.2 Ų | 137.2 | 139.4 Ų | 139.4 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | 77.3 | 107.3 | 168.3 | -49.6 | -19.7 | 0 | 0 | 0 | 114.6 | ||||
| 2621 | D | 35.6 | Very low | 35 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | -150.5 | 140.3 | 80.5 | -88.1 | -35.8 | 0 | 0 | 0 | 111.9 | N2623 | D2621-N2623 PolarHBondContact O-N 3.04Š| |||
| 2622 | L | 36.5 | Very low | 35 | Very low | 163.2 Ų | 163.2 | 142.8 Ų | 142.8 | 85% | 0.854 | 80% | 0.797 | S | S | * | * | trans | -78.5 | 123.2 | 171.1 | -76.1 | 150.8 | 0 | 0 | 0 | 111.9 | ||||
| 2623 | N | 34.3 | Very low | 35.4 | Very low | 154.4 Ų | 154.4 | 141 Ų | 141 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | 135.2 | 103.3 | 156.8 | -67.6 | -37.8 | 0 | 0 | 0 | 113.5 | D2621 | D2621-N2623 PolarHBondContact O-N 3.04Š| ||
| 2624 | N | 34 | Very low | 35.9 | Very low | 157.2 Ų | 157.2 | 137.7 Ų | 137.7 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | trans | 165.3 | 86.6 | 158.4 | -116.1 | -4 | 0 | 0 | 0 | 113.5 | G2626 | N2624-G2626 PolarHBondContact O-N 2.98Š| ||
| 2625 | E | 32.1 | Very low | 37.2 | Very low | 187.4 Ų | 187.4 | 133.6 Ų | 133.6 | 88% | 0.876 | 74% | 0.743 | S | S | * | * | trans | -68.6 | 71.1 | 165.9 | -73.3 | -108.1 | 137.5 | 0 | 0 | 112.3 | V2627 | E2625-V2627 VanDerWaalsContact C-N 3.28Å; E2625-V2627 PolarHBondContact O-N 3.34Å | ||
| 2626 | G | 30.7 | Very low | 38.8 | Very low | 54.2 Ų | 54.2 | 128.6 Ų | 128.6 | 56% | 0.559 | 71% | 0.71 | S | S | * | * | trans | -105.9 | 89.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N2624 Y2628 | N2624-G2626 PolarHBondContact O-N 2.98Å; G2626-Y2628 WeakPolarHBondContact O-CD2 3.3Å; G2626-Y2628 PolarHBondContact O-N 3.24Å | ||
| 2627 | V | 34.4 | Very low | 40.9 | Very low | 126.8 Ų | 126.8 | 126.5 Ų | 126.5 | 77% | 0.768 | 69% | 0.69 | S | S | * | * | trans | -61.8 | 97.3 | 177.4 | -176.7 | 0 | 0 | 0 | 0 | 112.3 | E2625 S2629 | E2625-V2627 VanDerWaalsContact C-N 3.28Å; E2625-V2627 PolarHBondContact O-N 3.34Å; V2627-S2629 PolarHBondContact O-N 3.28Å; V2627-S2629 VanDerWaalsContact O-N 3.08Å | ||
| 2628 | Y | 30.7 | Very low | 43.3 | Very low | 216.6 Ų | 216.6 | 121.8 Ų | 121.8 | 85% | 0.849 | 66% | 0.656 | S | S | * | * | trans | -31.8 | 97.6 | 161.5 | -64.4 | -83.1 | 0 | 0 | 0 | 114.3 | G2626 S2630 | G2626-Y2628 WeakPolarHBondContact O-CD2 3.3Å; G2626-Y2628 PolarHBondContact O-N 3.24Å; Y2628-S2630 PolarHBondContact O-N 3.12Å; Y2628-S2630 VanDerWaalsContact O-N 3.08Å; Y2628-S2630 PolarHBondContact O-OG 2.85Å | ||
| 2629 | S | 33.1 | Very low | 45.7 | Very low | 117.2 Ų | 117.2 | 117.6 Ų | 117.6 | 82% | 0.82 | 63% | 0.626 | S | S | * | * | trans | -84.9 | 83.1 | 163.6 | -171.4 | 0 | 0 | 0 | 0 | 110.4 | V2627 H2631 | V2627-S2629 PolarHBondContact O-N 3.28Å; V2627-S2629 VanDerWaalsContact O-N 3.08Å; S2629-H2631 PolarHBondContact O-N 3.16Å; S2629-H2631 VanDerWaalsContact O-N 3.1Å | ||
| 2630 | S | 32.9 | Very low | 48.4 | Very low | 97.6 Ų | 97.6 | 112.2 Ų | 112.2 | 68% | 0.683 | 60% | 0.6 | S | S | * | * | trans | -75.5 | 108.7 | -178.4 | 53.5 | 0 | 0 | 0 | 0 | 112.3 | Y2628 M2632 | Y2628-S2630 PolarHBondContact O-N 3.12Å; Y2628-S2630 VanDerWaalsContact O-N 3.08Å; Y2628-S2630 PolarHBondContact O-OG 2.85Å; S2630-M2632 PolarHBondContact O-N 3.16Å | ||
| 2631 | H | 35.1 | Very low | 51.1 | Low | 173 Ų | 173 | 105.7 Ų | 105.7 | 80% | 0.801 | 57% | 0.565 | S | S | * | * | trans | -30.8 | 105.5 | 171.8 | -81.4 | -46.8 | 0 | 0 | 0 | 115.1 | S2629 K2633 H2684 | S2629-H2631 PolarHBondContact O-N 3.16Å; S2629-H2631 VanDerWaalsContact O-N 3.1Å; H2631-K2633 HydrophobicContact CB-CG 4.34Å; H2631-K2633 PolarHBondContact O-N 3.28Å; H2631-K2633 VanDerWaalsContact O-N 3.12Å; H2631-H2684 AromaticContact CE1-NE2 3.73Å | ||
| 2632 | M | 35.7 | Very low | 53.8 | Low | 149.8 Ų | 149.8 | 98 Ų | 98 | 74% | 0.738 | 52% | 0.524 | S | S | * | . | trans | -73.7 | 104 | 168.1 | -71.9 | -112.2 | 136.8 | 0 | 0 | 111.3 | V2606 S2630 S2634 | V2606-M2632 WeakPolarHBondContact O-CE 3.4Å; S2630-M2632 PolarHBondContact O-N 3.16Å; M2632-S2634 PolarHBondContact O-N 3.1Å | ||
| 2633 | K | 43.2 | Very low | 56.5 | Low | 164.8 Ų | 164.8 | 93.5 Ų | 93.5 | 72% | 0.717 | 50% | 0.496 | S | S | * | . | trans | -75.3 | 109.8 | 174.5 | -77.1 | -177.9 | 173.2 | -175.9 | 0 | 110.8 | H2631 D2635 | H2631-K2633 HydrophobicContact CB-CG 4.34Å; H2631-K2633 PolarHBondContact O-N 3.28Å; H2631-K2633 VanDerWaalsContact O-N 3.12Å; K2633-D2635 VanDerWaalsContact CD-OD2 3.28Å; K2633-D2635 WeakPolarHBondContact CD-OD2 3.46Å; K2633-D2635 WeakPolarHBondContact CE-OD2 3.34Å; K2633-D2635 IonicContact NZ-OD2 3.86Å; K2633-D2635 PolarHBondContact NZ-OD2 3.38Å; K2633-D2635 PolarHBondContact O-N 3.04Å | ||
| 2634 | S | 49.7 | Very low | 59.4 | Low | 49 Ų | 49 | 89.1 Ų | 89.1 | 34% | 0.343 | 47% | 0.469 | S | S | . | . | trans | -76.5 | 88.3 | 171.7 | 180 | 0 | 0 | 0 | 0 | 111.6 | R2603 M2632 M2636 | R2603-S2634 PolarHBondContact NH1-OG 2.89Å; R2603-S2634 VanDerWaalsContact NH1-OG 3.16Å; M2632-S2634 PolarHBondContact O-N 3.1Å; S2634-M2636 WeakPolarHBondContact CB-O 3.37Å; S2634-M2636 PolarHBondContact O-N 2.79Å; S2634-M2636 PolarHBondContact OG-N 2.94Å; S2634-M2636 VanDerWaalsContact OG-N 3.12Å; S2634-M2636 PolarHBondContact OG-O 3.03Å | ||
| 2635 | D | 63.3 | Low | 62.3 | Low | 69.2 Ų | 69.2 | 81.6 Ų | 81.6 | 37% | 0.37 | 43% | 0.429 | S | S | . | . | trans | -75.5 | 119.2 | 176.4 | -76.4 | -45 | 0 | 0 | 0 | 112.9 | R2603 K2633 Q2677 F2691 | R2603-D2635 WeakPolarHBondContact CG-O 3.27Å; R2603-D2635 IonicContact CZ-OD1 2.93Å; R2603-D2635 IonicContact NH1-OD1 2.69Å; R2603-D2635 PolarHBondContact NH1-OD1 2.78Å; K2633-D2635 VanDerWaalsContact CD-OD2 3.28Å; K2633-D2635 WeakPolarHBondContact CD-OD2 3.46Å; K2633-D2635 WeakPolarHBondContact CE-OD2 3.34Å; K2633-D2635 IonicContact NZ-OD2 3.86Å; K2633-D2635 PolarHBondContact NZ-OD2 3.38Å; K2633-D2635 PolarHBondContact O-N 3.04Å; D2635-Q2677 PolarHBondContact OD2-NE2 3.02Å; D2635-F2691 HydrophobicContact CB-CD2 4.18Å; D2635-F2691 HydrophobicContact CB-CE2 4.06Å | ||
| 2636 | M | 76.6 | Confident | 65.3 | Low | 13.2 Ų | 13.2 | 72.7 Ų | 72.7 | 7% | 0.065 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | -91 | 149.4 | 178.3 | -65.6 | 177.7 | 75.5 | 0 | 0 | 111 | A2600 S2634 D2638 P2639 C2642 F2672 S2690 F2691 I2694 | A2600-M2636 WeakPolarHBondContact O-CB 3.12Å; S2634-M2636 WeakPolarHBondContact CB-O 3.37Å; S2634-M2636 PolarHBondContact O-N 2.79Å; S2634-M2636 PolarHBondContact OG-N 2.94Å; S2634-M2636 VanDerWaalsContact OG-N 3.12Å; S2634-M2636 PolarHBondContact OG-O 3.03Å; M2636-D2638 PolarHBondContact O-N 3.18Å; M2636-P2639 HydrophobicContact SD-CB 4.37Å; M2636-C2642 HydrophobicContact CE-CB 3.63Å; M2636-C2642 VanDerWaalsContact CE-SG 3.52Å; M2636-F2672 HydrophobicContact CE-CE1 4.47Å; M2636-S2690 WeakPolarHBondContact SD-CB 3.19Å; M2636-F2691 HydrophobicContact CE-CE1 4.44Å; M2636-F2691 HydrophobicContact CE-CZ 4.38Å; M2636-F2691 HydrophobicContact CG-CD2 3.93Å; M2636-F2691 HydrophobicContact CG-CE1 4.48Å; M2636-F2691 HydrophobicContact CG-CE2 3.39Å; M2636-F2691 VanDerWaalsContact CG-CE2 3.45Å; M2636-F2691 HydrophobicContact CG-CZ 3.78Å; M2636-F2691 HydrophobicContact SD-CD1 4.36Å; M2636-F2691 HydrophobicContact SD-CD2 4.01Å; M2636-F2691 HydrophobicContact SD-CE1 4.34Å; M2636-F2691 HydrophobicContact SD-CE2 3.86Å; M2636-F2691 HydrophobicContact SD-CG 4.21Å; M2636-F2691 HydrophobicContact SD-CZ 4.06Å; M2636-I2694 HydrophobicContact CE-CD1 3.45Å; M2636-I2694 VanDerWaalsContact CE-CD1 3.45Å; M2636-I2694 HydrophobicContact CE-CG1 4.3Å; M2636-I2694 HydrophobicContact SD-CD1 3.6Å; M2636-I2694 VanDerWaalsContact SD-CD1 3.58Å; M2636-I2694 HydrophobicContact SD-CG1 4.47Å |
| 2637 | I | 79.2 | Confident | 68.4 | Low | 59.4 Ų | 59.4 | 70.8 Ų | 70.8 | 31% | 0.305 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -61.7 | -48 | 179.8 | -65.9 | 178.1 | 0 | 0 | 0 | 111.9 | Y2599 A2600 V2602 I2604 | Y2599-I2637 HydrophobicContact CE1-CG2 4.31Å; Y2599-I2637 HydrophobicContact CE2-CD1 4.37Å; A2600-I2637 PolarHBondContact O-N 3.18Å; A2600-I2637 VanDerWaalsContact O-N 3.17Å; V2602-I2637 HydrophobicContact CB-CD1 3.85Å; V2602-I2637 HydrophobicContact CB-CG1 4.35Å; V2602-I2637 HydrophobicContact CG1-CD1 4.27Å; V2602-I2637 WeakPolarHBondContact O-CG1 3.4Å; I2604-I2637 HydrophobicContact CD1-CD1 4.16Å; I2604-I2637 HydrophobicContact CD1-CG1 4.19Å; I2604-I2637 HydrophobicContact CG1-CD1 4.23Å; I2604-I2637 HydrophobicContact CG1-CG1 4.15Å |
| 2638 | D | 86 | Confident | 71.2 | Confident | 18.2 Ų | 18.2 | 64.7 Ų | 64.7 | 10% | 0.097 | 33% | 0.329 | C | S | . | . | trans | -147.1 | 95.4 | 176.3 | -170.3 | -26.2 | 0 | 0 | 0 | 110.8 | R2549 A2600 M2636 D2640 L2641 C2642 | R2549-D2638 IonicContact CZ-OD1 3.41Å; R2549-D2638 IonicContact CZ-OD2 3.29Å; R2549-D2638 IonicContact NE-OD1 3.21Å; R2549-D2638 IonicContact NE-OD2 3.49Å; R2549-D2638 PolarHBondContact NE-OD2 3.28Å; R2549-D2638 VanDerWaalsContact NH2-CG 3.28Å; R2549-D2638 IonicContact NH2-OD1 2.87Å; R2549-D2638 PolarHBondContact NH2-OD1 3.24Å; R2549-D2638 IonicContact NH2-OD2 3.39Å; R2549-D2638 PolarHBondContact NH2-OD2 3.15Å; R2549-D2638 VanDerWaalsContact NH2-OD2 3.09Å; A2600-D2638 WeakPolarHBondContact CB-O 3.37Å; A2600-D2638 PolarHBondContact O-N 3.14Å; M2636-D2638 PolarHBondContact O-N 3.18Å; D2638-D2640 VanDerWaalsContact C-N 3.3Å; D2638-D2640 PolarHBondContact O-N 3.17Å; D2638-D2640 WeakPolarHBondContact OD1-CB 3.44Å; D2638-D2640 PolarHBondContact OD1-N 3.25Å; D2638-D2640 VanDerWaalsContact OD1-N 3.15Å; D2638-L2641 HydrophobicContact CB-CB 3.72Å; D2638-L2641 HydrophobicContact CB-CD2 4.41Å; D2638-L2641 VanDerWaalsContact CG-CB 3.44Å; D2638-L2641 WeakPolarHBondContact O-CB 3.35Å; D2638-L2641 PolarHBondContact O-N 3.05Å; D2638-L2641 PolarHBondContact OD1-N 3.28Å; D2638-L2641 VanDerWaalsContact OD1-N 3.09Å; D2638-C2642 PolarHBondContact O-N 3.13Å; D2638-C2642 VanDerWaalsContact O-N 3.15Å | ||
| 2639 | P | 87.2 | Confident | 74.3 | Confident | 33.2 Ų | 33.2 | 54.5 Ų | 54.5 | 22% | 0.216 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.6 | -30.7 | -177.7 | 26.5 | -34.3 | 0 | 0 | 0 | 112.8 | M2636 C2642 R2643 S2690 | M2636-P2639 HydrophobicContact SD-CB 4.37Å; P2639-C2642 PolarHBondContact O-N 2.99Å; P2639-R2643 WeakPolarHBondContact O-CB 3.34Å; P2639-R2643 VanDerWaalsContact O-CG 3.23Å; P2639-R2643 WeakPolarHBondContact O-CG 3.44Å; P2639-R2643 PolarHBondContact O-N 3.23Å; P2639-R2643 PolarHBondContact O-NE 3.37Å; P2639-S2690 VanDerWaalsContact CB-CB 3.44Å; P2639-S2690 WeakPolarHBondContact CB-OG 3.47Å |
| 2640 | D | 90.1 | Very high | 77.2 | Confident | 52.8 Ų | 52.8 | 49 Ų | 49 | 28% | 0.282 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 176.2 | -61.5 | -35.8 | 0 | 0 | 0 | 111.4 | R2549 L2553 D2638 C2642 R2643 K2644 | R2549-D2640 IonicContact CZ-OD2 2.95Å; R2549-D2640 IonicContact NH1-OD2 3.25Å; R2549-D2640 PolarHBondContact NH1-OD2 3.16Å; R2549-D2640 VanDerWaalsContact NH2-CB 3.29Å; R2549-D2640 VanDerWaalsContact NH2-CG 3.3Å; R2549-D2640 IonicContact NH2-OD2 3.47Å; R2549-D2640 PolarHBondContact NH2-OD2 2.92Å; L2553-D2640 HydrophobicContact CD1-CB 4.35Å; L2553-D2640 HydrophobicContact CD2-CB 4.03Å; D2638-D2640 VanDerWaalsContact C-N 3.3Å; D2638-D2640 PolarHBondContact O-N 3.17Å; D2638-D2640 WeakPolarHBondContact OD1-CB 3.44Å; D2638-D2640 PolarHBondContact OD1-N 3.25Å; D2638-D2640 VanDerWaalsContact OD1-N 3.15Å; D2640-C2642 VanDerWaalsContact C-N 3.33Å; D2640-C2642 PolarHBondContact O-N 3.09Å; D2640-R2643 PolarHBondContact O-N 3.21Å; D2640-R2643 IonicContact OD1-CZ 3.44Å; D2640-R2643 IonicContact OD1-NE 3.01Å; D2640-R2643 PolarHBondContact OD1-NE 3.32Å; D2640-R2643 IonicContact OD1-NH2 3.14Å; D2640-R2643 PolarHBondContact OD1-NH2 3.23Å; D2640-K2644 WeakPolarHBondContact O-CB 3.29Å; D2640-K2644 VanDerWaalsContact O-CG 3.3Å; D2640-K2644 WeakPolarHBondContact O-CG 3.36Å; D2640-K2644 PolarHBondContact O-N 3.14Å |
| 2641 | L | 92 | Very high | 80 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.5 | -46.2 | 178.2 | -165.2 | 75.4 | 0 | 0 | 0 | 110.4 | I2544 I2552 L2553 L2556 F2596 Y2599 A2600 D2638 R2643 K2644 A2645 | I2544-L2641 HydrophobicContact CD1-CD1 4.03Å; I2544-L2641 HydrophobicContact CD1-CD2 3.44Å; I2544-L2641 VanDerWaalsContact CD1-CD2 3.42Å; I2544-L2641 HydrophobicContact CD1-CG 4.41Å; I2552-L2641 HydrophobicContact CG2-CD1 3.79Å; L2553-L2641 HydrophobicContact CD2-CB 4.27Å; L2553-L2641 HydrophobicContact CD2-CD1 3.97Å; L2556-L2641 HydrophobicContact CD1-CD1 3.51Å; L2556-L2641 VanDerWaalsContact CD1-CD1 3.47Å; L2556-L2641 HydrophobicContact CD1-CG 4.08Å; F2596-L2641 HydrophobicContact CD1-CD1 4.16Å; F2596-L2641 HydrophobicContact CD1-CD2 4.23Å; F2596-L2641 HydrophobicContact CD1-CG 4.33Å; Y2599-L2641 HydrophobicContact CD1-CD2 4.04Å; Y2599-L2641 HydrophobicContact CE1-CD2 4.36Å; A2600-L2641 HydrophobicContact CB-CB 4.08Å; A2600-L2641 HydrophobicContact CB-CD2 4.13Å; A2600-L2641 HydrophobicContact CB-CG 4.34Å; D2638-L2641 HydrophobicContact CB-CB 3.72Å; D2638-L2641 HydrophobicContact CB-CD2 4.41Å; D2638-L2641 VanDerWaalsContact CG-CB 3.44Å; D2638-L2641 WeakPolarHBondContact O-CB 3.35Å; D2638-L2641 PolarHBondContact O-N 3.05Å; D2638-L2641 PolarHBondContact OD1-N 3.28Å; D2638-L2641 VanDerWaalsContact OD1-N 3.09Å; L2641-R2643 PolarHBondContact O-N 3.24Å; L2641-K2644 PolarHBondContact O-N 3.29Å; L2641-A2645 VanDerWaalsContact O-CB 3.28Å; L2641-A2645 WeakPolarHBondContact O-CB 3.36Å; L2641-A2645 PolarHBondContact O-N 3.08Å |
| 2642 | C | 92.9 | Very high | 82.7 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.3 | -47.8 | 175.3 | -159.1 | 0 | 0 | 0 | 0 | 111.7 | A2597 A2600 M2636 D2638 P2639 D2640 K2644 A2645 I2646 I2694 | A2597-C2642 PolarHBondContact O-SG 3.27Å; A2597-C2642 VanDerWaalsContact O-SG 3.36Å; A2600-C2642 HydrophobicContact CB-CB 3.59Å; M2636-C2642 HydrophobicContact CE-CB 3.63Å; M2636-C2642 VanDerWaalsContact CE-SG 3.52Å; D2638-C2642 PolarHBondContact O-N 3.13Å; D2638-C2642 VanDerWaalsContact O-N 3.15Å; P2639-C2642 PolarHBondContact O-N 2.99Å; D2640-C2642 VanDerWaalsContact C-N 3.33Å; D2640-C2642 PolarHBondContact O-N 3.09Å; C2642-K2644 VanDerWaalsContact C-N 3.33Å; C2642-K2644 PolarHBondContact O-N 3.15Å; C2642-A2645 PolarHBondContact O-N 3.15Å; C2642-I2646 WeakPolarHBondContact O-CB 3.31Å; C2642-I2646 WeakPolarHBondContact O-CG1 3.34Å; C2642-I2646 PolarHBondContact O-N 3.22Å; C2642-I2646 VanDerWaalsContact SG-CD1 3.54Å; C2642-I2694 HydrophobicContact CB-CD1 3.9Å |
| 2643 | R | 93.8 | Very high | 85.3 | Confident | 69 Ų | 69 | 29.9 Ų | 29.9 | 26% | 0.26 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -56.8 | -44.4 | 176.9 | -73.1 | -174 | -63.1 | -163.2 | 4.1 | 111.8 | P2639 D2640 L2641 T2647 E2693 I2694 I2697 | P2639-R2643 WeakPolarHBondContact O-CB 3.34Å; P2639-R2643 VanDerWaalsContact O-CG 3.23Å; P2639-R2643 WeakPolarHBondContact O-CG 3.44Å; P2639-R2643 PolarHBondContact O-N 3.23Å; P2639-R2643 PolarHBondContact O-NE 3.37Å; D2640-R2643 PolarHBondContact O-N 3.21Å; D2640-R2643 IonicContact OD1-CZ 3.44Å; D2640-R2643 IonicContact OD1-NE 3.01Å; D2640-R2643 PolarHBondContact OD1-NE 3.32Å; D2640-R2643 IonicContact OD1-NH2 3.14Å; D2640-R2643 PolarHBondContact OD1-NH2 3.23Å; L2641-R2643 PolarHBondContact O-N 3.24Å; R2643-T2647 VanDerWaalsContact O-CB 3.29Å; R2643-T2647 WeakPolarHBondContact O-CB 3.33Å; R2643-T2647 PolarHBondContact O-N 3.12Å; R2643-T2647 PolarHBondContact O-OG1 3.04Å; R2643-E2693 WeakPolarHBondContact CD-OE2 3.32Å; R2643-E2693 IonicContact CZ-OE2 3.11Å; R2643-E2693 VanDerWaalsContact CZ-OE2 3.31Å; R2643-E2693 IonicContact NE-OE2 3.29Å; R2643-E2693 PolarHBondContact NE-OE2 3.39Å; R2643-E2693 IonicContact NH1-OE1 3.04Å; R2643-E2693 IonicContact NH1-OE2 2.97Å; R2643-E2693 PolarHBondContact NH1-OE2 3.23Å; R2643-I2694 HydrophobicContact CB-CD1 4.24Å; R2643-I2694 HydrophobicContact CG-CD1 3.51Å; R2643-I2694 VanDerWaalsContact CG-CD1 3.46Å; R2643-I2694 HydrophobicContact CG-CG1 4.11Å; R2643-I2697 HydrophobicContact CB-CD1 3.74Å; R2643-I2697 HydrophobicContact CG-CD1 3.57Å |
| 2644 | K | 94.2 | Very high | 87.4 | Confident | 61.8 Ų | 61.8 | 23 Ų | 23 | 27% | 0.269 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -70.2 | -43.7 | -179.9 | -70.2 | -57 | -172 | 179.2 | 0 | 112.8 | L2553 L2556 Y2557 D2640 L2641 C2642 T2647 G2648 | L2553-K2644 HydrophobicContact CB-CG 4.23Å; L2553-K2644 HydrophobicContact CD2-CB 4.11Å; L2553-K2644 HydrophobicContact CD2-CG 3.72Å; L2556-K2644 HydrophobicContact CB-CB 4.12Å; L2556-K2644 HydrophobicContact CD1-CB 4.3Å; Y2557-K2644 HydrophobicContact CD2-CD 4.04Å; Y2557-K2644 HydrophobicContact CG-CD 4.49Å; D2640-K2644 WeakPolarHBondContact O-CB 3.29Å; D2640-K2644 VanDerWaalsContact O-CG 3.3Å; D2640-K2644 WeakPolarHBondContact O-CG 3.36Å; D2640-K2644 PolarHBondContact O-N 3.14Å; L2641-K2644 PolarHBondContact O-N 3.29Å; C2642-K2644 VanDerWaalsContact C-N 3.33Å; C2642-K2644 PolarHBondContact O-N 3.15Å; K2644-T2647 PolarHBondContact O-N 3.12Å; K2644-G2648 PolarHBondContact O-N 3.35Å |
| 2645 | A | 95.8 | Very high | 89 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.7 | -48.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | L2556 F2596 A2597 L2641 C2642 T2647 G2648 L2649 | L2556-A2645 HydrophobicContact CD1-CB 4.2Å; L2556-A2645 HydrophobicContact CD2-CB 4.19Å; F2596-A2645 HydrophobicContact CB-CB 4.09Å; A2597-A2645 HydrophobicContact CB-CB 3.8Å; L2641-A2645 VanDerWaalsContact O-CB 3.28Å; L2641-A2645 WeakPolarHBondContact O-CB 3.36Å; L2641-A2645 PolarHBondContact O-N 3.08Å; C2642-A2645 PolarHBondContact O-N 3.15Å; A2645-T2647 PolarHBondContact O-N 3.09Å; A2645-G2648 PolarHBondContact O-N 2.95Å; A2645-L2649 WeakPolarHBondContact O-CB 3.2Å; A2645-L2649 PolarHBondContact O-N 3.03Å |
| 2646 | I | 95.4 | Very high | 90.1 | Very high | 1.4 Ų | 1.4 | 23.8 Ų | 23.8 | 1% | 0.007 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70 | -32.9 | 179 | -65.7 | 175.3 | 0 | 0 | 0 | 112 | A2597 C2642 L2649 G2650 F2668 F2672 I2694 I2697 I2698 N2701 | A2597-I2646 HydrophobicContact CB-CD1 4.22Å; A2597-I2646 HydrophobicContact CB-CG1 3.8Å; C2642-I2646 WeakPolarHBondContact O-CB 3.31Å; C2642-I2646 WeakPolarHBondContact O-CG1 3.34Å; C2642-I2646 PolarHBondContact O-N 3.22Å; C2642-I2646 VanDerWaalsContact SG-CD1 3.54Å; I2646-L2649 PolarHBondContact O-N 3.3Å; I2646-G2650 PolarHBondContact O-N 3.33Å; I2646-F2668 HydrophobicContact CD1-CE1 4.4Å; I2646-F2668 HydrophobicContact CD1-CZ 4.36Å; I2646-F2668 HydrophobicContact CG1-CE1 4.35Å; I2646-F2668 HydrophobicContact CG1-CZ 4.25Å; I2646-F2672 HydrophobicContact CD1-CD1 4.4Å; I2646-F2672 HydrophobicContact CD1-CD2 4.15Å; I2646-F2672 HydrophobicContact CD1-CE1 4.25Å; I2646-F2672 HydrophobicContact CD1-CE2 4.01Å; I2646-F2672 HydrophobicContact CD1-CG 4.35Å; I2646-F2672 HydrophobicContact CD1-CZ 4.06Å; I2646-I2694 HydrophobicContact CD1-CD1 4.31Å; I2646-I2694 HydrophobicContact CD1-CG2 3.44Å; I2646-I2697 HydrophobicContact CG2-CG2 3.99Å; I2646-I2698 HydrophobicContact CG2-CD1 4.41Å; I2646-I2698 HydrophobicContact CG2-CG1 3.71Å; I2646-N2701 PolarHBondContact O-ND2 3.19Å |
| 2647 | T | 94.4 | Very high | 90.5 | Very high | 13.4 Ų | 13.4 | 24 Ų | 24 | 8% | 0.082 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66 | -44 | 172 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | Y2557 R2643 K2644 A2645 G2650 F2651 | Y2557-T2647 HydrophobicContact CD2-CG2 4.01Å; Y2557-T2647 HydrophobicContact CE2-CG2 3.72Å; R2643-T2647 VanDerWaalsContact O-CB 3.29Å; R2643-T2647 WeakPolarHBondContact O-CB 3.33Å; R2643-T2647 PolarHBondContact O-N 3.12Å; R2643-T2647 PolarHBondContact O-OG1 3.04Å; K2644-T2647 PolarHBondContact O-N 3.12Å; A2645-T2647 PolarHBondContact O-N 3.09Å; T2647-G2650 WeakPolarHBondContact O-CA 3.41Å; T2647-G2650 PolarHBondContact O-N 3.15Å; T2647-F2651 HydrophobicContact CG2-CD2 4.37Å; T2647-F2651 HydrophobicContact CG2-CE1 4.29Å; T2647-F2651 HydrophobicContact CG2-CE2 3.71Å; T2647-F2651 HydrophobicContact CG2-CZ 3.66Å; T2647-F2651 WeakPolarHBondContact O-CD2 3.41Å; T2647-F2651 WeakPolarHBondContact O-CG 3.36Å; T2647-F2651 PolarHBondContact O-N 3.12Å; T2647-F2651 VanDerWaalsContact O-N 3.12Å |
| 2648 | G | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.7 | -46.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G2560 K2644 A2645 G2650 F2651 L2652 | G2560-G2648 VanDerWaalsContact CA-O 3.27Å; G2560-G2648 WeakPolarHBondContact CA-O 3.37Å; K2644-G2648 PolarHBondContact O-N 3.35Å; A2645-G2648 PolarHBondContact O-N 2.95Å; G2648-G2650 VanDerWaalsContact C-N 3.31Å; G2648-G2650 PolarHBondContact O-N 3.33Å; G2648-F2651 PolarHBondContact O-N 3.01Å; G2648-F2651 VanDerWaalsContact O-N 3.15Å; G2648-L2652 PolarHBondContact O-N 3.37Å; G2648-L2652 VanDerWaalsContact O-N 3.16Å |
| 2649 | L | 95.3 | Very high | 91 | Very high | 1.2 Ų | 1.2 | 27.4 Ų | 27.4 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57 | -47.3 | 174.1 | -179.1 | 62.4 | 0 | 0 | 0 | 110.6 | V2590 L2593 M2594 A2645 I2646 F2651 L2652 L2653 F2668 L2669 | V2590-L2649 HydrophobicContact CB-CD1 4.43Å; V2590-L2649 HydrophobicContact CG1-CD1 4.05Å; V2590-L2649 HydrophobicContact CG2-CD1 4.17Å; L2593-L2649 HydrophobicContact CB-CB 4.21Å; L2593-L2649 HydrophobicContact CB-CD1 4.48Å; L2593-L2649 HydrophobicContact CD1-CB 4.4Å; M2594-L2649 HydrophobicContact CG-CD2 3.95Å; A2645-L2649 WeakPolarHBondContact O-CB 3.2Å; A2645-L2649 PolarHBondContact O-N 3.03Å; I2646-L2649 PolarHBondContact O-N 3.3Å; L2649-F2651 VanDerWaalsContact C-N 3.33Å; L2649-F2651 PolarHBondContact O-N 3.16Å; L2649-L2652 WeakPolarHBondContact O-CB 3.31Å; L2649-L2652 PolarHBondContact O-N 3.02Å; L2649-L2652 VanDerWaalsContact O-N 3.15Å; L2649-L2653 HydrophobicContact CD1-CD1 4.27Å; L2649-L2653 HydrophobicContact CD1-CD2 4.47Å; L2649-L2653 HydrophobicContact CD1-CG 4.23Å; L2649-L2653 HydrophobicContact CG-CD1 3.93Å; L2649-L2653 HydrophobicContact CG-CG 4.32Å; L2649-L2653 VanDerWaalsContact O-CG 3.26Å; L2649-L2653 WeakPolarHBondContact O-CG 3.36Å; L2649-L2653 PolarHBondContact O-N 3.16Å; L2649-L2653 VanDerWaalsContact O-N 3.09Å; L2649-F2668 HydrophobicContact CD2-CD1 4.05Å; L2649-F2668 HydrophobicContact CD2-CE1 3.64Å; L2649-F2668 HydrophobicContact CD2-CZ 4.41Å; L2649-L2669 HydrophobicContact CD2-CD2 4.47Å |
| 2650 | G | 93.6 | Very high | 91.1 | Very high | 2.8 Ų | 2.8 | 26 Ų | 26 | 3% | 0.029 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -50.3 | -51 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I2646 T2647 G2648 L2652 L2653 F2654 N2701 | I2646-G2650 PolarHBondContact O-N 3.33Å; T2647-G2650 WeakPolarHBondContact O-CA 3.41Å; T2647-G2650 PolarHBondContact O-N 3.15Å; G2648-G2650 VanDerWaalsContact C-N 3.31Å; G2648-G2650 PolarHBondContact O-N 3.33Å; G2650-L2652 VanDerWaalsContact C-N 3.33Å; G2650-L2652 PolarHBondContact O-N 3.27Å; G2650-L2653 PolarHBondContact O-N 3.09Å; G2650-L2653 VanDerWaalsContact O-N 3.12Å; G2650-F2654 WeakPolarHBondContact O-CD1 3.41Å; G2650-F2654 WeakPolarHBondContact O-CD2 3.41Å; G2650-F2654 VanDerWaalsContact O-CE1 3.31Å; G2650-F2654 WeakPolarHBondContact O-CE1 3.37Å; G2650-F2654 WeakPolarHBondContact O-CG 3.35Å; G2650-F2654 PolarHBondContact O-N 3.07Å; G2650-F2654 VanDerWaalsContact O-N 3.12Å; G2650-N2701 WeakPolarHBondContact CA-ND2 3.35Å |
| 2651 | F | 92.4 | Very high | 91.1 | Very high | 16 Ų | 16 | 25.8 Ų | 25.8 | 7% | 0.07 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.9 | -40.8 | 178.8 | -64.5 | -32.5 | 0 | 0 | 0 | 113.9 | Y2557 G2560 L2561 K2564 T2647 G2648 L2649 F2654 | Y2557-F2651 HydrophobicContact CD1-CE2 4.44Å; Y2557-F2651 AromaticContact CD2-CE2 3.96Å; Y2557-F2651 HydrophobicContact CD2-CE2 4.03Å; Y2557-F2651 AromaticContact CE1-CE2 3.95Å; Y2557-F2651 HydrophobicContact CE1-CE2 4.03Å; Y2557-F2651 AromaticContact CE2-CE2 3.49Å; Y2557-F2651 HydrophobicContact CE2-CE2 3.49Å; Y2557-F2651 VanDerWaalsContact CE2-CE2 3.43Å; Y2557-F2651 AromaticContact CE2-CZ 3.86Å; Y2557-F2651 HydrophobicContact CE2-CZ 3.86Å; Y2557-F2651 HydrophobicContact CG-CE2 4.43Å; Y2557-F2651 AromaticContact CZ-CE2 3.46Å; Y2557-F2651 VanDerWaalsContact CZ-CE2 3.45Å; Y2557-F2651 AromaticContact CZ-CZ 3.76Å; Y2557-F2651 WeakPolarHBondContact OH-CZ 3.44Å; G2560-F2651 WeakPolarHBondContact O-CB 3.4Å; L2561-F2651 HydrophobicContact CB-CD2 3.76Å; L2561-F2651 HydrophobicContact CB-CE2 4.19Å; L2561-F2651 HydrophobicContact CB-CG 4.44Å; L2561-F2651 HydrophobicContact CD1-CB 4.47Å; L2561-F2651 HydrophobicContact CD1-CD1 4.26Å; L2561-F2651 HydrophobicContact CD1-CD2 3.84Å; L2561-F2651 HydrophobicContact CD1-CE1 4.43Å; L2561-F2651 HydrophobicContact CD1-CE2 3.99Å; L2561-F2651 HydrophobicContact CD1-CG 4.01Å; L2561-F2651 HydrophobicContact CD1-CZ 4.33Å; L2561-F2651 HydrophobicContact CD2-CE2 4.35Å; L2561-F2651 HydrophobicContact CG-CD2 4.31Å; L2561-F2651 HydrophobicContact CG-CE2 4.43Å; K2564-F2651 HydrophobicContact CB-CB 4.24Å; K2564-F2651 VanDerWaalsContact CB-O 3.29Å; K2564-F2651 WeakPolarHBondContact CB-O 3.36Å; K2564-F2651 HydrophobicContact CD-CB 4.41Å; K2564-F2651 HydrophobicContact CD-CD1 4.43Å; K2564-F2651 WeakPolarHBondContact CG-O 3.41Å; T2647-F2651 HydrophobicContact CG2-CD2 4.37Å; T2647-F2651 HydrophobicContact CG2-CE1 4.29Å; T2647-F2651 HydrophobicContact CG2-CE2 3.71Å; T2647-F2651 HydrophobicContact CG2-CZ 3.66Å; T2647-F2651 WeakPolarHBondContact O-CD2 3.41Å; T2647-F2651 WeakPolarHBondContact O-CG 3.36Å; T2647-F2651 PolarHBondContact O-N 3.12Å; T2647-F2651 VanDerWaalsContact O-N 3.12Å; G2648-F2651 PolarHBondContact O-N 3.01Å; G2648-F2651 VanDerWaalsContact O-N 3.15Å; L2649-F2651 VanDerWaalsContact C-N 3.33Å; L2649-F2651 PolarHBondContact O-N 3.16Å; F2651-F2654 HydrophobicContact CD1-CD2 4.44Å; F2651-F2654 AromaticContact CD1-CE2 3.95Å; F2651-F2654 HydrophobicContact CD1-CE2 4.22Å; F2651-F2654 HydrophobicContact CD1-CZ 4.47Å; F2651-F2654 HydrophobicContact CE1-CE2 4.44Å; F2651-F2654 WeakPolarHBondContact O-CB 3.28Å; F2651-F2654 PolarHBondContact O-N 3.02Å |
| 2652 | L | 91.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.2 | -46.9 | 175.6 | -178.8 | 160.9 | 0 | 0 | 0 | 110.7 | G2560 C2563 L2586 V2589 V2590 L2593 G2648 L2649 G2650 F2654 R2655 H2656 L2659 | G2560-L2652 PolarHBondContact O-N 3.36Å; C2563-L2652 HydrophobicContact CB-CB 4.14Å; C2563-L2652 HydrophobicContact CB-CD1 4.1Å; C2563-L2652 HydrophobicContact CB-CG 3.95Å; L2586-L2652 HydrophobicContact CD1-CD1 3.97Å; L2586-L2652 HydrophobicContact CD1-CD2 3.83Å; L2586-L2652 HydrophobicContact CD1-CG 3.9Å; V2589-L2652 HydrophobicContact CB-CD1 4.2Å; V2589-L2652 HydrophobicContact CG1-CD1 3.56Å; V2590-L2652 HydrophobicContact CG2-CD1 3.87Å; V2590-L2652 HydrophobicContact CG2-CD2 3.55Å; V2590-L2652 HydrophobicContact CG2-CG 4.39Å; L2593-L2652 HydrophobicContact CD1-CD1 4.26Å; G2648-L2652 PolarHBondContact O-N 3.37Å; G2648-L2652 VanDerWaalsContact O-N 3.16Å; L2649-L2652 WeakPolarHBondContact O-CB 3.31Å; L2649-L2652 PolarHBondContact O-N 3.02Å; L2649-L2652 VanDerWaalsContact O-N 3.15Å; G2650-L2652 VanDerWaalsContact C-N 3.33Å; G2650-L2652 PolarHBondContact O-N 3.27Å; L2652-F2654 PolarHBondContact O-N 3.07Å; L2652-R2655 PolarHBondContact O-N 3.02Å; L2652-R2655 VanDerWaalsContact O-N 3.12Å; L2652-H2656 HydrophobicContact CD2-CB 4.4Å; L2652-H2656 PolarHBondContact O-N 3.03Å; L2652-H2656 VanDerWaalsContact O-N 3.16Å; L2652-L2659 HydrophobicContact CD2-CD1 3.75Å |
| 2653 | L | 91 | Very high | 91 | Very high | 1.6 Ų | 1.6 | 30.3 Ų | 30.3 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.9 | -22.3 | 179.5 | -61.9 | 174.6 | 0 | 0 | 0 | 113.2 | L2649 G2650 R2655 H2656 D2657 L2659 F2660 V2665 L2669 | L2649-L2653 HydrophobicContact CD1-CD1 4.27Å; L2649-L2653 HydrophobicContact CD1-CD2 4.47Å; L2649-L2653 HydrophobicContact CD1-CG 4.23Å; L2649-L2653 HydrophobicContact CG-CD1 3.93Å; L2649-L2653 HydrophobicContact CG-CG 4.32Å; L2649-L2653 VanDerWaalsContact O-CG 3.26Å; L2649-L2653 WeakPolarHBondContact O-CG 3.36Å; L2649-L2653 PolarHBondContact O-N 3.16Å; L2649-L2653 VanDerWaalsContact O-N 3.09Å; G2650-L2653 PolarHBondContact O-N 3.09Å; G2650-L2653 VanDerWaalsContact O-N 3.12Å; L2653-R2655 VanDerWaalsContact C-N 3.31Å; L2653-R2655 PolarHBondContact O-N 3.07Å; L2653-H2656 CarbonylContact O-C 3.45Å; L2653-D2657 VanDerWaalsContact O-CA 3.29Å; L2653-D2657 WeakPolarHBondContact O-CA 3.28Å; L2653-D2657 PolarHBondContact O-N 3.32Å; L2653-L2659 HydrophobicContact CD2-CB 3.37Å; L2653-L2659 VanDerWaalsContact CD2-CB 3.41Å; L2653-L2659 HydrophobicContact CD2-CD1 4.29Å; L2653-L2659 HydrophobicContact CD2-CG 4.46Å; L2653-F2660 HydrophobicContact CB-CD1 4.27Å; L2653-F2660 HydrophobicContact CB-CD2 4Å; L2653-F2660 HydrophobicContact CB-CE1 3.87Å; L2653-F2660 HydrophobicContact CB-CE2 3.59Å; L2653-F2660 HydrophobicContact CB-CG 4.32Å; L2653-F2660 HydrophobicContact CB-CZ 3.51Å; L2653-F2660 VanDerWaalsContact CB-CZ 3.48Å; L2653-F2660 HydrophobicContact CD1-CD1 3.84Å; L2653-F2660 HydrophobicContact CD1-CE1 3.66Å; L2653-F2660 HydrophobicContact CD1-CG 4.47Å; L2653-F2660 HydrophobicContact CD1-CZ 4.19Å; L2653-F2660 HydrophobicContact CG-CE1 4.39Å; L2653-F2660 HydrophobicContact CG-CZ 4.46Å; L2653-F2660 VanDerWaalsContact O-CE2 3.29Å; L2653-F2660 WeakPolarHBondContact O-CE2 3.35Å; L2653-V2665 HydrophobicContact CD1-CG1 3.81Å; L2653-V2665 HydrophobicContact CD2-CG1 4.19Å; L2653-V2665 HydrophobicContact CD2-CG2 4.49Å; L2653-L2669 HydrophobicContact CD1-CD1 4.33Å |
| 2654 | F | 86.6 | Confident | 90.9 | Very high | 20 Ų | 20 | 29.8 Ų | 29.8 | 9% | 0.088 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.6 | -32.3 | 175.2 | -74.2 | -33.5 | 0 | 0 | 0 | 113.3 | K2564 G2650 F2651 L2652 F2660 N2701 H2704 Y2705 | K2564-F2654 HydrophobicContact CD-CD2 4.35Å; K2564-F2654 HydrophobicContact CG-CB 4.41Å; G2650-F2654 WeakPolarHBondContact O-CD1 3.41Å; G2650-F2654 WeakPolarHBondContact O-CD2 3.41Å; G2650-F2654 VanDerWaalsContact O-CE1 3.31Å; G2650-F2654 WeakPolarHBondContact O-CE1 3.37Å; G2650-F2654 WeakPolarHBondContact O-CG 3.35Å; G2650-F2654 PolarHBondContact O-N 3.07Å; G2650-F2654 VanDerWaalsContact O-N 3.12Å; F2651-F2654 HydrophobicContact CD1-CD2 4.44Å; F2651-F2654 AromaticContact CD1-CE2 3.95Å; F2651-F2654 HydrophobicContact CD1-CE2 4.22Å; F2651-F2654 HydrophobicContact CD1-CZ 4.47Å; F2651-F2654 HydrophobicContact CE1-CE2 4.44Å; F2651-F2654 WeakPolarHBondContact O-CB 3.28Å; F2651-F2654 PolarHBondContact O-N 3.02Å; L2652-F2654 PolarHBondContact O-N 3.07Å; F2654-F2660 HydrophobicContact CD1-CE2 4.5Å; F2654-F2660 HydrophobicContact CD1-CZ 4.28Å; F2654-F2660 HydrophobicContact CE1-CZ 4.46Å; F2654-N2701 HydrophobicContact CE1-CB 4.17Å; F2654-N2701 WeakPolarHBondContact CE1-O 3.18Å; F2654-N2701 HydrophobicContact CZ-CB 4.39Å; F2654-N2701 VanDerWaalsContact CZ-O 3.27Å; F2654-N2701 WeakPolarHBondContact CZ-O 3.35Å; F2654-H2704 VanDerWaalsContact CE1-C 3.45Å; F2654-H2704 HydrophobicContact CE1-CB 3.68Å; F2654-H2704 HydrophobicContact CE2-CB 3.98Å; F2654-H2704 HydrophobicContact CZ-CB 3.64Å; F2654-H2704 VanDerWaalsContact CZ-CB 3.5Å; F2654-Y2705 HydrophobicContact CD1-CD2 4.37Å; F2654-Y2705 HydrophobicContact CD1-CG 4.5Å; F2654-Y2705 VanDerWaalsContact CE1-N 3.34Å |
| 2655 | R | 83.1 | Confident | 90.8 | Very high | 88.8 Ų | 88.8 | 27 Ų | 27 | 34% | 0.335 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -87.4 | -44.3 | 177.8 | -177.2 | -178.4 | -169.1 | 120.6 | -2.1 | 111 | C2563 K2564 Y2565 F2566 T2567 L2652 L2653 D2657 | C2563-R2655 VanDerWaalsContact O-CD 3.29Å; C2563-R2655 WeakPolarHBondContact O-CD 3.34Å; K2564-R2655 WeakPolarHBondContact O-CD 3.34Å; K2564-R2655 PolarHBondContact O-NH1 3.24Å; Y2565-R2655 PolarHBondContact O-NH1 3.21Å; F2566-R2655 VanDerWaalsContact N-NH1 3.15Å; T2567-R2655 VanDerWaalsContact N-NH2 3.17Å; T2567-R2655 PolarHBondContact OG1-NH2 3.4Å; L2652-R2655 PolarHBondContact O-N 3.02Å; L2652-R2655 VanDerWaalsContact O-N 3.12Å; L2653-R2655 VanDerWaalsContact C-N 3.31Å; L2653-R2655 PolarHBondContact O-N 3.07Å; R2655-D2657 PolarHBondContact O-N 3.24Å |
| 2656 | H | 85.7 | Confident | 90.7 | Very high | 47.4 Ų | 47.4 | 30.1 Ų | 30.1 | 22% | 0.219 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -103 | 63 | -176.2 | -59.2 | -82.9 | 0 | 0 | 0 | 109.6 | L2586 L2652 L2653 Q2658 L2659 | L2586-H2656 HydrophobicContact CD2-CB 4.07Å; L2586-H2656 WeakPolarHBondContact CD2-ND1 3.23Å; L2652-H2656 HydrophobicContact CD2-CB 4.4Å; L2652-H2656 PolarHBondContact O-N 3.03Å; L2652-H2656 VanDerWaalsContact O-N 3.16Å; L2653-H2656 CarbonylContact O-C 3.45Å; H2656-Q2658 VanDerWaalsContact C-N 3.28Å; H2656-Q2658 PolarHBondContact O-N 3.03Å; H2656-Q2658 VanDerWaalsContact O-N 3.14Å; H2656-L2659 HydrophobicContact CB-CD1 3.74Å; H2656-L2659 HydrophobicContact CB-CG 4.12Å; H2656-L2659 VanDerWaalsContact O-CB 3.27Å; H2656-L2659 WeakPolarHBondContact O-CB 3.34Å; H2656-L2659 WeakPolarHBondContact O-CG 3.35Å; H2656-L2659 PolarHBondContact O-N 3.02Å |
| 2657 | D | 86 | Confident | 90.6 | Very high | 16.6 Ų | 16.6 | 36.1 Ų | 36.1 | 9% | 0.089 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -66.9 | -20.7 | -168.7 | 56.9 | -28 | 0 | 0 | 0 | 114.8 | L2653 R2655 L2659 F2660 Y2705 K2709 H2739 | L2653-D2657 VanDerWaalsContact O-CA 3.29Å; L2653-D2657 WeakPolarHBondContact O-CA 3.28Å; L2653-D2657 PolarHBondContact O-N 3.32Å; R2655-D2657 PolarHBondContact O-N 3.24Å; D2657-L2659 PolarHBondContact O-N 3.28Å; D2657-L2659 VanDerWaalsContact O-N 3.16Å; D2657-F2660 HydrophobicContact CB-CD2 4.32Å; D2657-F2660 WeakPolarHBondContact O-CB 3.37Å; D2657-F2660 PolarHBondContact O-N 3.14Å; D2657-Y2705 HydrophobicContact CB-CD2 4.43Å; D2657-Y2705 HydrophobicContact CB-CE2 3.49Å; D2657-Y2705 VanDerWaalsContact CB-CE2 3.46Å; D2657-Y2705 WeakPolarHBondContact CB-OH 3.36Å; D2657-Y2705 PolarHBondContact OD2-OH 3.07Å; D2657-K2709 IonicContact OD1-NZ 3.62Å; D2657-K2709 PolarHBondContact OD1-NZ 3.31Å; D2657-K2709 VanDerWaalsContact OD2-CE 3.28Å; D2657-K2709 WeakPolarHBondContact OD2-CE 3.36Å; D2657-K2709 IonicContact OD2-NZ 3.35Å; D2657-K2709 PolarHBondContact OD2-NZ 3.08Å; D2657-H2739 IonicContact OD1-CD2 2.86Å; D2657-H2739 VanDerWaalsContact OD2-CB 3.3Å; D2657-H2739 WeakPolarHBondContact OD2-CB 3.3Å; D2657-H2739 IonicContact OD2-CG 3.93Å; D2657-H2739 IonicContact OD2-ND1 3.65Å |
| 2658 | Q | 86.5 | Confident | 90.5 | Very high | 128.6 Ų | 128.6 | 35.9 Ų | 35.9 | 60% | 0.601 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -53.1 | -34.5 | 167.1 | -69.2 | 167.8 | -9 | 0 | 0 | 112.3 | H2656 F2660 C2661 H2739 | H2656-Q2658 VanDerWaalsContact C-N 3.28Å; H2656-Q2658 PolarHBondContact O-N 3.03Å; H2656-Q2658 VanDerWaalsContact O-N 3.14Å; Q2658-F2660 VanDerWaalsContact C-N 3.26Å; Q2658-F2660 PolarHBondContact O-N 3.11Å; Q2658-C2661 PolarHBondContact O-N 3.17Å; Q2658-C2661 VanDerWaalsContact O-N 3.16Å; Q2658-H2739 VanDerWaalsContact CG-CD2 3.49Å; Q2658-H2739 WeakPolarHBondContact CG-CD2 3.44Å; Q2658-H2739 VanDerWaalsContact CG-NE2 3.33Å; Q2658-H2739 WeakPolarHBondContact CG-NE2 3.13Å; Q2658-H2739 PolarHBondContact NE2-NE2 2.96Å |
| 2659 | L | 89.1 | Confident | 90.5 | Very high | 21.6 Ų | 21.6 | 36.2 Ų | 36.2 | 11% | 0.113 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -69.1 | -18.9 | -179.2 | -62.4 | 178.6 | 0 | 0 | 0 | 113.5 | L2586 V2590 L2652 L2653 H2656 D2657 C2661 T2662 V2665 | L2586-L2659 HydrophobicContact CD2-CD1 3.85Å; L2586-L2659 HydrophobicContact CG-CD1 4.07Å; V2590-L2659 HydrophobicContact CG2-CD1 4.07Å; L2652-L2659 HydrophobicContact CD2-CD1 3.75Å; L2653-L2659 HydrophobicContact CD2-CB 3.37Å; L2653-L2659 VanDerWaalsContact CD2-CB 3.41Å; L2653-L2659 HydrophobicContact CD2-CD1 4.29Å; L2653-L2659 HydrophobicContact CD2-CG 4.46Å; H2656-L2659 HydrophobicContact CB-CD1 3.74Å; H2656-L2659 HydrophobicContact CB-CG 4.12Å; H2656-L2659 VanDerWaalsContact O-CB 3.27Å; H2656-L2659 WeakPolarHBondContact O-CB 3.34Å; H2656-L2659 WeakPolarHBondContact O-CG 3.35Å; H2656-L2659 PolarHBondContact O-N 3.02Å; D2657-L2659 PolarHBondContact O-N 3.28Å; D2657-L2659 VanDerWaalsContact O-N 3.16Å; L2659-C2661 PolarHBondContact O-N 3.11Å; L2659-T2662 WeakPolarHBondContact CA-OG1 3.46Å; L2659-T2662 HydrophobicContact CD2-CG2 3.96Å; L2659-T2662 PolarHBondContact O-N 3.19Å; L2659-T2662 VanDerWaalsContact O-N 3.16Å; L2659-T2662 PolarHBondContact O-OG1 3.11Å; L2659-T2662 VanDerWaalsContact O-OG1 3.06Å; L2659-V2665 VanDerWaalsContact O-CB 3.29Å; L2659-V2665 WeakPolarHBondContact O-CB 3.32Å; L2659-V2665 WeakPolarHBondContact O-CG1 3.43Å; L2659-V2665 WeakPolarHBondContact O-CG2 3.29Å |
| 2660 | F | 90.2 | Very high | 90.4 | Very high | 2.6 Ų | 2.6 | 37.6 Ų | 37.6 | 1% | 0.011 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -61.8 | -25.7 | 171.7 | -84.5 | -67.4 | 0 | 0 | 0 | 112.4 | L2653 F2654 D2657 Q2658 L2669 L2702 Y2705 V2743 Y2747 | L2653-F2660 HydrophobicContact CB-CD1 4.27Å; L2653-F2660 HydrophobicContact CB-CD2 4Å; L2653-F2660 HydrophobicContact CB-CE1 3.87Å; L2653-F2660 HydrophobicContact CB-CE2 3.59Å; L2653-F2660 HydrophobicContact CB-CG 4.32Å; L2653-F2660 HydrophobicContact CB-CZ 3.51Å; L2653-F2660 VanDerWaalsContact CB-CZ 3.48Å; L2653-F2660 HydrophobicContact CD1-CD1 3.84Å; L2653-F2660 HydrophobicContact CD1-CE1 3.66Å; L2653-F2660 HydrophobicContact CD1-CG 4.47Å; L2653-F2660 HydrophobicContact CD1-CZ 4.19Å; L2653-F2660 HydrophobicContact CG-CE1 4.39Å; L2653-F2660 HydrophobicContact CG-CZ 4.46Å; L2653-F2660 VanDerWaalsContact O-CE2 3.29Å; L2653-F2660 WeakPolarHBondContact O-CE2 3.35Å; F2654-F2660 HydrophobicContact CD1-CE2 4.5Å; F2654-F2660 HydrophobicContact CD1-CZ 4.28Å; F2654-F2660 HydrophobicContact CE1-CZ 4.46Å; D2657-F2660 HydrophobicContact CB-CD2 4.32Å; D2657-F2660 WeakPolarHBondContact O-CB 3.37Å; D2657-F2660 PolarHBondContact O-N 3.14Å; Q2658-F2660 VanDerWaalsContact C-N 3.26Å; Q2658-F2660 PolarHBondContact O-N 3.11Å; F2660-L2669 HydrophobicContact CD1-CD1 4.43Å; F2660-L2702 HydrophobicContact CD1-CD2 4.02Å; F2660-L2702 HydrophobicContact CE1-CD2 3.75Å; F2660-L2702 HydrophobicContact CZ-CD2 4.36Å; F2660-Y2705 HydrophobicContact CE2-CD1 4.16Å; F2660-Y2705 AromaticContact CE2-CD2 3.85Å; F2660-Y2705 HydrophobicContact CE2-CD2 3.91Å; F2660-Y2705 HydrophobicContact CE2-CE1 4.47Å; F2660-Y2705 HydrophobicContact CE2-CE2 4.31Å; F2660-Y2705 AromaticContact CE2-CG 3.84Å; F2660-Y2705 HydrophobicContact CE2-CG 3.84Å; F2660-Y2705 HydrophobicContact CZ-CG 4.37Å; F2660-V2743 HydrophobicContact CB-CB 4.47Å; F2660-V2743 HydrophobicContact CB-CG1 4.19Å; F2660-V2743 HydrophobicContact CB-CG2 3.59Å; F2660-V2743 HydrophobicContact CD1-CG1 4.47Å; F2660-V2743 HydrophobicContact CD2-CG1 4.34Å; F2660-V2743 HydrophobicContact CD2-CG2 4.13Å; F2660-V2743 HydrophobicContact CG-CG1 4.16Å; F2660-V2743 HydrophobicContact CG-CG2 4.13Å; F2660-Y2747 HydrophobicContact CB-CE2 4.2Å; F2660-Y2747 HydrophobicContact CD1-CE2 4.2Å; F2660-Y2747 VanDerWaalsContact O-CE2 3.29Å; F2660-Y2747 WeakPolarHBondContact O-CE2 3.37Å; F2660-Y2747 PolarHBondContact O-OH 3.04Å |
| 2661 | C | 89.8 | Confident | 90.2 | Very high | 49.8 Ų | 49.8 | 42.8 Ų | 42.8 | 34% | 0.336 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -104 | 5 | -177.7 | -63 | 0 | 0 | 0 | 0 | 113.1 | Q2658 L2659 T2746 | Q2658-C2661 PolarHBondContact O-N 3.17Å; Q2658-C2661 VanDerWaalsContact O-N 3.16Å; L2659-C2661 PolarHBondContact O-N 3.11Å; C2661-T2746 PolarHBondContact SG-OG1 3.35Å |
| 2662 | T | 90.9 | Very high | 90.1 | Very high | 51 Ų | 51 | 42.2 Ų | 42.2 | 31% | 0.313 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -73.1 | 139.3 | 171.9 | 18 | 0 | 0 | 0 | 0 | 110 | L2659 S2664 V2665 Q2666 | L2659-T2662 WeakPolarHBondContact CA-OG1 3.46Å; L2659-T2662 HydrophobicContact CD2-CG2 3.96Å; L2659-T2662 PolarHBondContact O-N 3.19Å; L2659-T2662 VanDerWaalsContact O-N 3.16Å; L2659-T2662 PolarHBondContact O-OG1 3.11Å; L2659-T2662 VanDerWaalsContact O-OG1 3.06Å; T2662-S2664 VanDerWaalsContact C-N 3.27Å; T2662-S2664 PolarHBondContact O-N 3.08Å; T2662-S2664 VanDerWaalsContact O-N 3.11Å; T2662-V2665 PolarHBondContact O-N 3.07Å; T2662-V2665 VanDerWaalsContact O-N 3.15Å; T2662-V2665 WeakPolarHBondContact OG1-CG2 3.37Å; T2662-Q2666 VanDerWaalsContact O-CB 3.27Å; T2662-Q2666 WeakPolarHBondContact O-CB 3.37Å; T2662-Q2666 PolarHBondContact O-N 3.19Å |
| 2663 | G | 90.3 | Very high | 90.1 | Very high | 41.8 Ų | 41.8 | 42.2 Ų | 42.2 | 43% | 0.431 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -56.6 | -35.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L2667 | G2663-L2667 VanDerWaalsContact O-CB 3.28Å; G2663-L2667 WeakPolarHBondContact O-CB 3.41Å; G2663-L2667 WeakPolarHBondContact O-CD1 3.24Å; G2663-L2667 WeakPolarHBondContact O-CG 3.35Å; G2663-L2667 PolarHBondContact O-N 3.1Å |
| 2664 | S | 91.8 | Very high | 90 | Very high | 60.2 Ų | 60.2 | 43.6 Ų | 43.6 | 42% | 0.421 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63 | -56.2 | 176.6 | 50.5 | 0 | 0 | 0 | 0 | 112 | T2662 Q2666 L2667 F2668 | T2662-S2664 VanDerWaalsContact C-N 3.27Å; T2662-S2664 PolarHBondContact O-N 3.08Å; T2662-S2664 VanDerWaalsContact O-N 3.11Å; S2664-Q2666 VanDerWaalsContact C-N 3.32Å; S2664-Q2666 PolarHBondContact O-N 3.33Å; S2664-L2667 PolarHBondContact O-N 3.23Å; S2664-F2668 VanDerWaalsContact O-CB 3.22Å; S2664-F2668 WeakPolarHBondContact O-CB 3.34Å; S2664-F2668 PolarHBondContact O-N 3.09Å |
| 2665 | V | 93.7 | Very high | 89.5 | Confident | 1.2 Ų | 1.2 | 44.3 Ų | 44.3 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.8 | -41.8 | 179.7 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | V2590 M2594 L2653 L2659 T2662 F2668 L2669 | V2590-V2665 HydrophobicContact CG1-CG2 3.89Å; M2594-V2665 HydrophobicContact SD-CG2 4.19Å; L2653-V2665 HydrophobicContact CD1-CG1 3.81Å; L2653-V2665 HydrophobicContact CD2-CG1 4.19Å; L2653-V2665 HydrophobicContact CD2-CG2 4.49Å; L2659-V2665 VanDerWaalsContact O-CB 3.29Å; L2659-V2665 WeakPolarHBondContact O-CB 3.32Å; L2659-V2665 WeakPolarHBondContact O-CG1 3.43Å; L2659-V2665 WeakPolarHBondContact O-CG2 3.29Å; T2662-V2665 PolarHBondContact O-N 3.07Å; T2662-V2665 VanDerWaalsContact O-N 3.15Å; T2662-V2665 WeakPolarHBondContact OG1-CG2 3.37Å; V2665-F2668 PolarHBondContact O-N 2.94Å; V2665-L2669 HydrophobicContact CG1-CD1 3.92Å; V2665-L2669 HydrophobicContact CG1-CG 4.27Å; V2665-L2669 WeakPolarHBondContact O-CB 3.43Å; V2665-L2669 WeakPolarHBondContact O-CG 3.37Å; V2665-L2669 PolarHBondContact O-N 2.94Å |
| 2666 | Q | 93.1 | Very high | 88.7 | Confident | 66.4 Ų | 66.4 | 42.9 Ų | 42.9 | 31% | 0.31 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.1 | -52.2 | 177.1 | -174.6 | -171 | -6.8 | 0 | 0 | 111.1 | T2662 S2664 F2668 L2669 T2670 T2746 Y2747 | T2662-Q2666 VanDerWaalsContact O-CB 3.27Å; T2662-Q2666 WeakPolarHBondContact O-CB 3.37Å; T2662-Q2666 PolarHBondContact O-N 3.19Å; S2664-Q2666 VanDerWaalsContact C-N 3.32Å; S2664-Q2666 PolarHBondContact O-N 3.33Å; Q2666-F2668 VanDerWaalsContact C-N 3.33Å; Q2666-F2668 PolarHBondContact O-N 3.19Å; Q2666-L2669 PolarHBondContact O-N 2.85Å; Q2666-T2670 WeakPolarHBondContact O-CB 3.38Å; Q2666-T2670 PolarHBondContact O-N 3.21Å; Q2666-T2670 PolarHBondContact O-OG1 3.02Å; Q2666-T2746 VanDerWaalsContact CD-CG2 3.5Å; Q2666-T2746 HydrophobicContact CG-CG2 3.81Å; Q2666-Y2747 WeakPolarHBondContact CA-OH 3.38Å |
| 2667 | L | 92.4 | Very high | 87.3 | Confident | 127.4 Ų | 127.4 | 43 Ų | 43 | 67% | 0.667 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.1 | -42.8 | 179.1 | -73.1 | 170 | 0 | 0 | 0 | 111.5 | G2663 S2664 T2670 R2671 | G2663-L2667 VanDerWaalsContact O-CB 3.28Å; G2663-L2667 WeakPolarHBondContact O-CB 3.41Å; G2663-L2667 WeakPolarHBondContact O-CD1 3.24Å; G2663-L2667 WeakPolarHBondContact O-CG 3.35Å; G2663-L2667 PolarHBondContact O-N 3.1Å; S2664-L2667 PolarHBondContact O-N 3.23Å; L2667-T2670 PolarHBondContact O-N 3.08Å; L2667-R2671 WeakPolarHBondContact O-CB 3.48Å; L2667-R2671 PolarHBondContact O-N 3.09Å |
| 2668 | F | 93.8 | Very high | 85.5 | Confident | 8.6 Ų | 8.6 | 48.6 Ų | 48.6 | 4% | 0.038 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59 | -54 | 177.5 | 171.5 | -91 | 0 | 0 | 0 | 112.1 | M2594 A2597 E2598 I2646 L2649 S2664 V2665 Q2666 T2670 R2671 F2672 | M2594-F2668 HydrophobicContact CB-CD2 4.03Å; M2594-F2668 HydrophobicContact CB-CE2 3.87Å; M2594-F2668 HydrophobicContact CB-CG 4.46Å; M2594-F2668 HydrophobicContact CB-CZ 4.28Å; M2594-F2668 HydrophobicContact CE-CB 3.64Å; M2594-F2668 HydrophobicContact CE-CD2 3.85Å; M2594-F2668 HydrophobicContact CE-CG 3.81Å; M2594-F2668 HydrophobicContact CG-CD1 4Å; M2594-F2668 HydrophobicContact CG-CD2 3.93Å; M2594-F2668 HydrophobicContact CG-CE1 4.07Å; M2594-F2668 HydrophobicContact CG-CE2 3.96Å; M2594-F2668 HydrophobicContact CG-CG 3.95Å; M2594-F2668 HydrophobicContact CG-CZ 4.05Å; M2594-F2668 WeakPolarHBondContact O-CE2 3.36Å; M2594-F2668 HydrophobicContact SD-CB 4.16Å; M2594-F2668 HydrophobicContact SD-CD1 4.34Å; M2594-F2668 HydrophobicContact SD-CD2 4.34Å; M2594-F2668 HydrophobicContact SD-CG 4.05Å; A2597-F2668 HydrophobicContact CB-CE2 4.12Å; A2597-F2668 HydrophobicContact CB-CZ 3.61Å; E2598-F2668 HydrophobicContact CG-CD2 4.24Å; E2598-F2668 HydrophobicContact CG-CE2 3.92Å; E2598-F2668 WeakPolarHBondContact OE1-CD2 3.29Å; I2646-F2668 HydrophobicContact CD1-CE1 4.4Å; I2646-F2668 HydrophobicContact CD1-CZ 4.36Å; I2646-F2668 HydrophobicContact CG1-CE1 4.35Å; I2646-F2668 HydrophobicContact CG1-CZ 4.25Å; L2649-F2668 HydrophobicContact CD2-CD1 4.05Å; L2649-F2668 HydrophobicContact CD2-CE1 3.64Å; L2649-F2668 HydrophobicContact CD2-CZ 4.41Å; S2664-F2668 VanDerWaalsContact O-CB 3.22Å; S2664-F2668 WeakPolarHBondContact O-CB 3.34Å; S2664-F2668 PolarHBondContact O-N 3.09Å; V2665-F2668 PolarHBondContact O-N 2.94Å; Q2666-F2668 VanDerWaalsContact C-N 3.33Å; Q2666-F2668 PolarHBondContact O-N 3.19Å; F2668-T2670 VanDerWaalsContact C-N 3.34Å; F2668-T2670 PolarHBondContact O-N 3.22Å; F2668-R2671 WeakPolarHBondContact O-CB 3.29Å; F2668-R2671 PolarHBondContact O-N 3.02Å; F2668-F2672 HydrophobicContact CD2-CE2 4.25Å; F2668-F2672 HydrophobicContact CE1-CD2 4.31Å; F2668-F2672 HydrophobicContact CE1-CE2 4.11Å; F2668-F2672 HydrophobicContact CE2-CD2 4.39Å; F2668-F2672 AromaticContact CE2-CE2 3.69Å; F2668-F2672 HydrophobicContact CE2-CE2 3.69Å; F2668-F2672 HydrophobicContact CE2-CZ 4.49Å; F2668-F2672 HydrophobicContact CZ-CD2 4.24Å; F2668-F2672 AromaticContact CZ-CE2 3.59Å; F2668-F2672 HydrophobicContact CZ-CE2 3.59Å; F2668-F2672 VanDerWaalsContact CZ-CE2 3.47Å; F2668-F2672 HydrophobicContact CZ-CZ 4.43Å; F2668-F2672 WeakPolarHBondContact O-CD2 3.29Å; F2668-F2672 PolarHBondContact O-N 3.25Å |
| 2669 | L | 93.8 | Very high | 83.4 | Confident | 7.6 Ų | 7.6 | 45.4 Ų | 45.4 | 4% | 0.04 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.1 | -37 | 178.9 | -66.9 | -179.2 | 0 | 0 | 0 | 111.8 | L2649 L2653 F2660 V2665 Q2666 R2671 F2672 L2673 I2698 Y2747 | L2649-L2669 HydrophobicContact CD2-CD2 4.47Å; L2653-L2669 HydrophobicContact CD1-CD1 4.33Å; F2660-L2669 HydrophobicContact CD1-CD1 4.43Å; V2665-L2669 HydrophobicContact CG1-CD1 3.92Å; V2665-L2669 HydrophobicContact CG1-CG 4.27Å; V2665-L2669 WeakPolarHBondContact O-CB 3.43Å; V2665-L2669 WeakPolarHBondContact O-CG 3.37Å; V2665-L2669 PolarHBondContact O-N 2.94Å; Q2666-L2669 PolarHBondContact O-N 2.85Å; L2669-R2671 VanDerWaalsContact C-N 3.3Å; L2669-R2671 PolarHBondContact O-N 3.13Å; L2669-F2672 PolarHBondContact O-N 3.13Å; L2669-L2673 WeakPolarHBondContact O-CG 3.37Å; L2669-L2673 PolarHBondContact O-N 3.11Å; L2669-L2673 VanDerWaalsContact O-N 3.1Å; L2669-I2698 HydrophobicContact CB-CG2 4.45Å; L2669-I2698 HydrophobicContact CD2-CD1 3.96Å; L2669-I2698 HydrophobicContact CD2-CG1 4.03Å; L2669-I2698 HydrophobicContact CD2-CG2 4.25Å; L2669-Y2747 HydrophobicContact CB-CE1 3.97Å; L2669-Y2747 HydrophobicContact CD1-CE1 4.24Å |
| 2670 | T | 92.3 | Very high | 81.3 | Confident | 28.8 Ų | 28.8 | 49.2 Ų | 49.2 | 18% | 0.177 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.2 | -41 | 175.7 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | Q2666 L2667 F2668 F2672 L2673 S2674 I2750 | Q2666-T2670 WeakPolarHBondContact O-CB 3.38Å; Q2666-T2670 PolarHBondContact O-N 3.21Å; Q2666-T2670 PolarHBondContact O-OG1 3.02Å; L2667-T2670 PolarHBondContact O-N 3.08Å; F2668-T2670 VanDerWaalsContact C-N 3.34Å; F2668-T2670 PolarHBondContact O-N 3.22Å; T2670-F2672 VanDerWaalsContact C-N 3.32Å; T2670-F2672 PolarHBondContact O-N 3.33Å; T2670-L2673 CarbonylContact O-C 3.57Å; T2670-L2673 PolarHBondContact O-N 3.12Å; T2670-L2673 VanDerWaalsContact O-N 3.17Å; T2670-S2674 WeakPolarHBondContact CG2-OG 3.5Å; T2670-S2674 VanDerWaalsContact O-CB 3.25Å; T2670-S2674 WeakPolarHBondContact O-CB 3.29Å; T2670-S2674 PolarHBondContact O-N 3.24Å; T2670-S2674 PolarHBondContact O-OG 3.19Å; T2670-S2674 VanDerWaalsContact O-OG 3.06Å; T2670-I2750 HydrophobicContact CG2-CD1 3.95Å; T2670-I2750 HydrophobicContact CG2-CG1 4.29Å; T2670-I2750 HydrophobicContact CG2-CG2 4.12Å; T2670-I2750 VanDerWaalsContact OG1-CD1 3.25Å; T2670-I2750 WeakPolarHBondContact OG1-CD1 3.37Å |
| 2671 | R | 90.1 | Very high | 78.9 | Confident | 111.8 Ų | 111.8 | 54 Ų | 54 | 42% | 0.422 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.6 | -44.1 | 177 | -177 | 174.8 | 103.2 | 144.4 | -2 | 111.9 | E2598 S2601 L2667 F2668 L2669 L2673 S2674 T2675 | E2598-R2671 VanDerWaalsContact CG-NH2 3.28Å; E2598-R2671 IonicContact OE1-CZ 3.15Å; E2598-R2671 IonicContact OE1-NH1 2.73Å; E2598-R2671 PolarHBondContact OE1-NH1 3.11Å; E2598-R2671 IonicContact OE1-NH2 3.15Å; E2598-R2671 PolarHBondContact OE1-NH2 3.47Å; S2601-R2671 PolarHBondContact OG-NH1 3.45Å; S2601-R2671 PolarHBondContact OG-NH2 2.79Å; L2667-R2671 WeakPolarHBondContact O-CB 3.48Å; L2667-R2671 PolarHBondContact O-N 3.09Å; F2668-R2671 WeakPolarHBondContact O-CB 3.29Å; F2668-R2671 PolarHBondContact O-N 3.02Å; L2669-R2671 VanDerWaalsContact C-N 3.3Å; L2669-R2671 PolarHBondContact O-N 3.13Å; R2671-L2673 PolarHBondContact O-N 3.09Å; R2671-S2674 PolarHBondContact O-N 3.49Å; R2671-S2674 PolarHBondContact O-OG 3.25Å; R2671-T2675 WeakPolarHBondContact O-CB 3.31Å; R2671-T2675 PolarHBondContact O-N 3.03Å; R2671-T2675 VanDerWaalsContact O-N 3.13Å; R2671-T2675 PolarHBondContact O-OG1 3.08Å |
| 2672 | F | 90.6 | Very high | 76.4 | Confident | 3.6 Ų | 3.6 | 57.7 Ų | 57.7 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.7 | -39.3 | 176 | -75.5 | -77.4 | 0 | 0 | 0 | 112.9 | M2636 I2646 F2668 L2669 T2670 S2674 T2675 F2691 I2694 Q2695 I2698 | M2636-F2672 HydrophobicContact CE-CE1 4.47Å; I2646-F2672 HydrophobicContact CD1-CD1 4.4Å; I2646-F2672 HydrophobicContact CD1-CD2 4.15Å; I2646-F2672 HydrophobicContact CD1-CE1 4.25Å; I2646-F2672 HydrophobicContact CD1-CE2 4.01Å; I2646-F2672 HydrophobicContact CD1-CG 4.35Å; I2646-F2672 HydrophobicContact CD1-CZ 4.06Å; F2668-F2672 HydrophobicContact CD2-CE2 4.25Å; F2668-F2672 HydrophobicContact CE1-CD2 4.31Å; F2668-F2672 HydrophobicContact CE1-CE2 4.11Å; F2668-F2672 HydrophobicContact CE2-CD2 4.39Å; F2668-F2672 AromaticContact CE2-CE2 3.69Å; F2668-F2672 HydrophobicContact CE2-CE2 3.69Å; F2668-F2672 HydrophobicContact CE2-CZ 4.49Å; F2668-F2672 HydrophobicContact CZ-CD2 4.24Å; F2668-F2672 AromaticContact CZ-CE2 3.59Å; F2668-F2672 HydrophobicContact CZ-CE2 3.59Å; F2668-F2672 VanDerWaalsContact CZ-CE2 3.47Å; F2668-F2672 HydrophobicContact CZ-CZ 4.43Å; F2668-F2672 WeakPolarHBondContact O-CD2 3.29Å; F2668-F2672 PolarHBondContact O-N 3.25Å; L2669-F2672 PolarHBondContact O-N 3.13Å; T2670-F2672 VanDerWaalsContact C-N 3.32Å; T2670-F2672 PolarHBondContact O-N 3.33Å; F2672-S2674 VanDerWaalsContact C-N 3.32Å; F2672-S2674 PolarHBondContact O-N 3.32Å; F2672-T2675 PolarHBondContact O-N 3.01Å; F2672-F2691 HydrophobicContact CB-CZ 4.49Å; F2672-F2691 HydrophobicContact CD1-CD1 4.29Å; F2672-F2691 AromaticContact CD1-CE1 3.98Å; F2672-F2691 HydrophobicContact CD1-CE1 4.16Å; F2672-F2691 AromaticContact CD1-CE2 3.72Å; F2672-F2691 HydrophobicContact CD1-CE2 3.72Å; F2672-F2691 AromaticContact CD1-CZ 3.93Å; F2672-F2691 HydrophobicContact CD1-CZ 4.01Å; F2672-F2691 HydrophobicContact CE1-CE1 4.2Å; F2672-F2691 HydrophobicContact CE1-CE2 4.2Å; F2672-F2691 VanDerWaalsContact O-CE1 3.24Å; F2672-F2691 WeakPolarHBondContact O-CE1 3.4Å; F2672-F2691 VanDerWaalsContact O-CZ 3.27Å; F2672-F2691 WeakPolarHBondContact O-CZ 3.37Å; F2672-I2694 HydrophobicContact CB-CG2 4.24Å; F2672-I2694 HydrophobicContact CD1-CB 4.5Å; F2672-I2694 HydrophobicContact CD1-CG2 3.64Å; F2672-I2694 HydrophobicContact CE1-CG2 4.23Å; F2672-I2694 HydrophobicContact CG-CG2 4.04Å; F2672-Q2695 VanDerWaalsContact O-CG 3.31Å; F2672-Q2695 WeakPolarHBondContact O-CG 3.36Å; F2672-Q2695 PolarHBondContact O-NE2 3.18Å; F2672-Q2695 VanDerWaalsContact O-NE2 3.16Å; F2672-I2698 HydrophobicContact CB-CD1 3.46Å; F2672-I2698 VanDerWaalsContact CB-CD1 3.45Å; F2672-I2698 HydrophobicContact CG-CD1 4.21Å |
| 2673 | L | 91.5 | Very high | 73.9 | Confident | 0.2 Ų | 0.2 | 62 Ų | 62 | 0% | 0.001 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.5 | -33.2 | 177.1 | -67 | 173.4 | 0 | 0 | 0 | 113 | L2669 T2670 R2671 Q2695 I2698 L2699 Y2747 I2750 V2751 Y2754 C2755 | L2669-L2673 WeakPolarHBondContact O-CG 3.37Å; L2669-L2673 PolarHBondContact O-N 3.11Å; L2669-L2673 VanDerWaalsContact O-N 3.1Å; T2670-L2673 CarbonylContact O-C 3.57Å; T2670-L2673 PolarHBondContact O-N 3.12Å; T2670-L2673 VanDerWaalsContact O-N 3.17Å; R2671-L2673 PolarHBondContact O-N 3.09Å; L2673-Q2695 HydrophobicContact CD2-CB 4.38Å; L2673-Q2695 HydrophobicContact CD2-CG 4.36Å; L2673-Q2695 PolarHBondContact O-NE2 3.18Å; L2673-Q2695 VanDerWaalsContact O-NE2 3.15Å; L2673-I2698 HydrophobicContact CD1-CG2 4.05Å; L2673-I2698 HydrophobicContact CD2-CB 4.19Å; L2673-I2698 HydrophobicContact CD2-CG2 3.96Å; L2673-I2698 HydrophobicContact CG-CD1 4.47Å; L2673-I2698 HydrophobicContact CG-CG2 4.09Å; L2673-L2699 HydrophobicContact CD2-CD2 4.21Å; L2673-L2699 HydrophobicContact CD2-CG 4.2Å; L2673-Y2747 HydrophobicContact CD1-CD1 4.23Å; L2673-I2750 HydrophobicContact CB-CG2 3.85Å; L2673-I2750 HydrophobicContact CD1-CG2 4.08Å; L2673-V2751 HydrophobicContact CD1-CG2 4.32Å; L2673-Y2754 VanDerWaalsContact O-CB 3.27Å; L2673-Y2754 WeakPolarHBondContact O-CB 3.41Å; L2673-C2755 PolarHBondContact O-SG 3.07Å |
| 2674 | S | 87.8 | Confident | 71.7 | Confident | 31.4 Ų | 31.4 | 65.8 Ų | 65.8 | 22% | 0.22 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -91.1 | -9.7 | -176.2 | 51.7 | 0 | 0 | 0 | 0 | 114.7 | T2670 R2671 F2672 V2676 Q2677 Y2754 | T2670-S2674 WeakPolarHBondContact CG2-OG 3.5Å; T2670-S2674 VanDerWaalsContact O-CB 3.25Å; T2670-S2674 WeakPolarHBondContact O-CB 3.29Å; T2670-S2674 PolarHBondContact O-N 3.24Å; T2670-S2674 PolarHBondContact O-OG 3.19Å; T2670-S2674 VanDerWaalsContact O-OG 3.06Å; R2671-S2674 PolarHBondContact O-N 3.49Å; R2671-S2674 PolarHBondContact O-OG 3.25Å; F2672-S2674 VanDerWaalsContact C-N 3.32Å; F2672-S2674 PolarHBondContact O-N 3.32Å; S2674-V2676 VanDerWaalsContact C-N 3.31Å; S2674-V2676 PolarHBondContact O-N 3.25Å; S2674-V2676 VanDerWaalsContact O-N 3.16Å; S2674-Q2677 PolarHBondContact O-N 3.15Å; S2674-Y2754 VanDerWaalsContact CB-CE2 3.49Å; S2674-Y2754 WeakPolarHBondContact OG-CD2 3.41Å; S2674-Y2754 WeakPolarHBondContact OG-CE2 3.41Å |
| 2675 | T | 77.5 | Confident | 69.7 | Low | 35.4 Ų | 35.4 | 66.2 Ų | 66.2 | 22% | 0.217 | 36% | 0.356 | C | S | . | . | trans | -68.4 | 72.9 | 179.3 | -63.6 | 0 | 0 | 0 | 0 | 110.4 | R2671 F2672 Q2677 S2679 F2691 Q2695 | R2671-T2675 WeakPolarHBondContact O-CB 3.31Å; R2671-T2675 PolarHBondContact O-N 3.03Å; R2671-T2675 VanDerWaalsContact O-N 3.13Å; R2671-T2675 PolarHBondContact O-OG1 3.08Å; F2672-T2675 PolarHBondContact O-N 3.01Å; T2675-Q2677 PolarHBondContact O-N 3.14Å; T2675-S2679 PolarHBondContact O-N 3.29Å; T2675-F2691 VanDerWaalsContact CB-CZ 3.4Å; T2675-F2691 HydrophobicContact CG2-CD1 3.88Å; T2675-F2691 HydrophobicContact CG2-CE1 4.02Å; T2675-F2691 HydrophobicContact CG2-CE2 4.4Å; T2675-F2691 HydrophobicContact CG2-CG 4.34Å; T2675-F2691 HydrophobicContact CG2-CZ 3.98Å; T2675-F2691 VanDerWaalsContact O-CE1 3.29Å; T2675-F2691 WeakPolarHBondContact O-CE1 3.18Å; T2675-Q2695 PolarHBondContact O-NE2 2.69Å | ||
| 2676 | V | 64.8 | Low | 67.5 | Low | 58 Ų | 58 | 72 Ų | 72 | 35% | 0.352 | 39% | 0.386 | S | S | . | . | trans | -72.8 | 120.9 | 170.7 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | S2674 N2678 S2679 L2680 F2691 F2692 Y2754 | S2674-V2676 VanDerWaalsContact C-N 3.31Å; S2674-V2676 PolarHBondContact O-N 3.25Å; S2674-V2676 VanDerWaalsContact O-N 3.16Å; V2676-N2678 VanDerWaalsContact C-N 3.32Å; V2676-N2678 WeakPolarHBondContact CG1-OD1 3.4Å; V2676-N2678 PolarHBondContact O-N 3.15Å; V2676-N2678 VanDerWaalsContact O-N 3.08Å; V2676-S2679 WeakPolarHBondContact O-CA 3.43Å; V2676-S2679 WeakPolarHBondContact O-CB 3.48Å; V2676-S2679 PolarHBondContact O-N 2.99Å; V2676-L2680 HydrophobicContact CG1-CD1 4.16Å; V2676-L2680 HydrophobicContact CG1-CG 4.3Å; V2676-L2680 PolarHBondContact O-N 3.13Å; V2676-F2691 HydrophobicContact CG2-CB 3.95Å; V2676-F2692 HydrophobicContact CB-CE1 4.03Å; V2676-F2692 HydrophobicContact CG1-CD1 4.27Å; V2676-F2692 HydrophobicContact CG1-CE1 3.26Å; V2676-F2692 HydrophobicContact CG1-CZ 3.48Å; V2676-F2692 VanDerWaalsContact CG1-CZ 3.48Å; V2676-F2692 HydrophobicContact CG2-CD1 3.99Å; V2676-F2692 HydrophobicContact CG2-CE1 3.79Å; V2676-Y2754 HydrophobicContact CG2-CD1 3.81Å; V2676-Y2754 HydrophobicContact CG2-CE1 4.22Å; V2676-Y2754 HydrophobicContact CG2-CG 4.45Å | ||
| 2677 | Q | 57.1 | Low | 65.5 | Low | 49.4 Ų | 49.4 | 73 Ų | 73 | 23% | 0.231 | 39% | 0.394 | C | S | . | . | trans | -71.4 | 77.4 | 175.3 | -112.7 | 167.9 | -34.1 | 0 | 0 | 109.9 | D2635 S2674 T2675 S2679 L2680 D2687 G2688 S2689 Y2754 | D2635-Q2677 PolarHBondContact OD2-NE2 3.02Å; S2674-Q2677 PolarHBondContact O-N 3.15Å; T2675-Q2677 PolarHBondContact O-N 3.14Å; Q2677-S2679 PolarHBondContact O-N 3.22Å; Q2677-L2680 WeakPolarHBondContact O-CD1 3.3Å; Q2677-L2680 PolarHBondContact O-N 3.45Å; Q2677-D2687 PolarHBondContact NE2-O 3Å; Q2677-G2688 VanDerWaalsContact CD-CA 3.44Å; Q2677-G2688 VanDerWaalsContact NE2-N 3.17Å; Q2677-S2689 PolarHBondContact OE1-OG 3.18Å; Q2677-Y2754 HydrophobicContact CB-CD1 4.18Å | ||
| 2678 | N | 47.4 | Very low | 63.9 | Low | 135.6 Ų | 135.6 | 68.3 Ų | 68.3 | 73% | 0.725 | 38% | 0.376 | S | S | * | . | trans | -66.2 | 8.2 | 173.6 | -67.8 | -9 | 0 | 0 | 0 | 113.3 | V2676 L2680 T2681 | V2676-N2678 VanDerWaalsContact C-N 3.32Å; V2676-N2678 WeakPolarHBondContact CG1-OD1 3.4Å; V2676-N2678 PolarHBondContact O-N 3.15Å; V2676-N2678 VanDerWaalsContact O-N 3.08Å; N2678-L2680 VanDerWaalsContact C-N 3.34Å; N2678-L2680 PolarHBondContact O-N 2.79Å; N2678-T2681 PolarHBondContact O-OG1 3.12Å | ||
| 2679 | S | 42.5 | Very low | 62.9 | Low | 62 Ų | 62 | 70 Ų | 70 | 43% | 0.434 | 39% | 0.389 | S | S | . | . | trans | -99.8 | 32 | 179.5 | -160.5 | 0 | 0 | 0 | 0 | 111.9 | R2603 T2675 V2676 Q2677 T2681 N2682 | R2603-S2679 PolarHBondContact NH1-OG 2.87Å; R2603-S2679 PolarHBondContact NH2-OG 3.38Å; T2675-S2679 PolarHBondContact O-N 3.29Å; V2676-S2679 WeakPolarHBondContact O-CA 3.43Å; V2676-S2679 WeakPolarHBondContact O-CB 3.48Å; V2676-S2679 PolarHBondContact O-N 2.99Å; Q2677-S2679 PolarHBondContact O-N 3.22Å; S2679-T2681 PolarHBondContact O-N 3.18Å; S2679-T2681 VanDerWaalsContact O-N 3.11Å; S2679-T2681 PolarHBondContact OG-OG1 2.52Å; S2679-N2682 PolarHBondContact O-N 2.78Å; S2679-N2682 WeakPolarHBondContact OG-CB 3.31Å | ||
| 2680 | L | 44.7 | Very low | 62.3 | Low | 101.2 Ų | 101.2 | 70.9 Ų | 70.9 | 53% | 0.53 | 40% | 0.396 | S | S | . | . | trans | -68.5 | 1.7 | 164.9 | -77.2 | 143.6 | 0 | 0 | 0 | 112.5 | V2676 Q2677 N2678 N2682 P2685 P2759 | V2676-L2680 HydrophobicContact CG1-CD1 4.16Å; V2676-L2680 HydrophobicContact CG1-CG 4.3Å; V2676-L2680 PolarHBondContact O-N 3.13Å; Q2677-L2680 WeakPolarHBondContact O-CD1 3.3Å; Q2677-L2680 PolarHBondContact O-N 3.45Å; N2678-L2680 VanDerWaalsContact C-N 3.34Å; N2678-L2680 PolarHBondContact O-N 2.79Å; L2680-N2682 PolarHBondContact O-N 3.32Å; L2680-N2682 VanDerWaalsContact O-N 3.12Å; L2680-P2685 HydrophobicContact CD2-CB 4.08Å; L2680-P2759 HydrophobicContact CD1-CG 4.44Å; L2680-P2759 HydrophobicContact CD2-CG 4.33Å | ||
| 2681 | T | 39.9 | Very low | 62 | Low | 103.2 Ų | 103.2 | 70.2 Ų | 70.2 | 63% | 0.633 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 60.3 | 172.7 | 52.9 | 0 | 0 | 0 | 0 | 112 | N2678 S2679 | N2678-T2681 PolarHBondContact O-OG1 3.12Å; S2679-T2681 PolarHBondContact O-N 3.18Å; S2679-T2681 VanDerWaalsContact O-N 3.11Å; S2679-T2681 PolarHBondContact OG-OG1 2.52Å |
| 2682 | N | 38.1 | Very low | 62 | Low | 126.8 Ų | 126.8 | 66.2 Ų | 66.2 | 68% | 0.678 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 86.6 | 95 | 169.4 | -56.7 | -32.8 | 0 | 0 | 0 | 114.8 | S2679 L2680 H2684 | S2679-N2682 PolarHBondContact O-N 2.78Å; S2679-N2682 WeakPolarHBondContact OG-CB 3.31Å; L2680-N2682 PolarHBondContact O-N 3.32Å; L2680-N2682 VanDerWaalsContact O-N 3.12Å; N2682-H2684 VanDerWaalsContact C-N 3.27Å; N2682-H2684 PolarHBondContact O-N 3.21Å |
| 2683 | N | 39.2 | Very low | 62 | Low | 142.2 Ų | 142.2 | 70.1 Ų | 70.1 | 76% | 0.76 | 40% | 0.395 | S | S | * | . | S | Bend | trans | 52.5 | 34.8 | 147.9 | -66.8 | -14.7 | 0 | 0 | 0 | 119.1 | ||
| 2684 | H | 44.6 | Very low | 62 | Low | 120.8 Ų | 120.8 | 70.1 Ų | 70.1 | 56% | 0.559 | 40% | 0.395 | S | S | * | . | trans | -145 | 97.7 | 168.6 | -127.8 | -94.8 | 0 | 0 | 0 | 114.5 | H2631 N2682 N2686 D2687 | H2631-H2684 AromaticContact CE1-NE2 3.73Å; N2682-H2684 VanDerWaalsContact C-N 3.27Å; N2682-H2684 PolarHBondContact O-N 3.21Å; H2684-N2686 VanDerWaalsContact C-N 3.32Å; H2684-N2686 PolarHBondContact O-N 3.19Å; H2684-N2686 VanDerWaalsContact O-N 3.12Å; H2684-D2687 IonicContact CE1-OD2 3.6Å; H2684-D2687 IonicContact CG-OD1 2.73Å; H2684-D2687 IonicContact CG-OD2 3.73Å; H2684-D2687 IonicContact ND1-OD1 3.41Å; H2684-D2687 IonicContact ND1-OD2 2.74Å; H2684-D2687 PolarHBondContact ND1-OD2 2.89Å | ||
| 2685 | P | 48.9 | Very low | 62.2 | Low | 69.6 Ų | 69.6 | 68.8 Ų | 68.8 | 45% | 0.452 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -4.9 | -175 | 30.1 | -35.5 | 0 | 0 | 0 | 115.1 | L2680 N2840 | L2680-P2685 HydrophobicContact CD2-CB 4.08Å; P2685-N2840 WeakPolarHBondContact CB-OD1 3.42Å; P2685-N2840 HydrophobicContact CG-CB 4.17Å |
| 2686 | N | 48.4 | Very low | 63.1 | Low | 122 Ų | 122 | 67.9 Ų | 67.9 | 65% | 0.652 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -16.9 | -175.1 | -73.7 | -11.9 | 0 | 0 | 0 | 114 | H2684 G2688 S2689 | H2684-N2686 VanDerWaalsContact C-N 3.32Å; H2684-N2686 PolarHBondContact O-N 3.19Å; H2684-N2686 VanDerWaalsContact O-N 3.12Å; N2686-G2688 VanDerWaalsContact C-N 3.32Å; N2686-G2688 PolarHBondContact O-N 3.12Å; N2686-G2688 VanDerWaalsContact O-N 3.08Å; N2686-S2689 WeakPolarHBondContact O-CB 3.28Å; N2686-S2689 PolarHBondContact O-N 3.08Å; N2686-S2689 VanDerWaalsContact O-N 3.11Å; N2686-S2689 PolarHBondContact O-OG 3.42Å |
| 2687 | D | 49.2 | Very low | 64.5 | Low | 87 Ų | 87 | 66.6 Ų | 66.6 | 47% | 0.465 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 38.6 | -175.2 | -67.6 | -18.5 | 0 | 0 | 0 | 111.8 | Q2677 H2684 S2689 | Q2677-D2687 PolarHBondContact NE2-O 3Å; H2684-D2687 IonicContact CE1-OD2 3.6Å; H2684-D2687 IonicContact CG-OD1 2.73Å; H2684-D2687 IonicContact CG-OD2 3.73Å; H2684-D2687 IonicContact ND1-OD1 3.41Å; H2684-D2687 IonicContact ND1-OD2 2.74Å; H2684-D2687 PolarHBondContact ND1-OD2 2.89Å; D2687-S2689 PolarHBondContact O-N 2.97Å; D2687-S2689 VanDerWaalsContact O-N 3.13Å |
| 2688 | G | 60.3 | Low | 66.3 | Low | 29.2 Ų | 29.2 | 64.4 Ų | 64.4 | 30% | 0.301 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 37.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q2677 N2686 S2690 F2691 F2692 | Q2677-G2688 VanDerWaalsContact CD-CA 3.44Å; Q2677-G2688 VanDerWaalsContact NE2-N 3.17Å; N2686-G2688 VanDerWaalsContact C-N 3.32Å; N2686-G2688 PolarHBondContact O-N 3.12Å; N2686-G2688 VanDerWaalsContact O-N 3.08Å; G2688-S2690 VanDerWaalsContact C-N 3.29Å; G2688-S2690 PolarHBondContact O-N 3.01Å; G2688-S2690 VanDerWaalsContact O-N 3.15Å; G2688-F2691 PolarHBondContact O-N 3.42Å; G2688-F2691 VanDerWaalsContact O-N 3.15Å; G2688-F2692 WeakPolarHBondContact O-CD2 3.24Å; G2688-F2692 PolarHBondContact O-N 3.14Å; G2688-F2692 VanDerWaalsContact O-N 3.1Å |
| 2689 | S | 72.8 | Confident | 68.7 | Low | 44.2 Ų | 44.2 | 58 Ų | 58 | 31% | 0.309 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -54.4 | -65 | -171.5 | 64.8 | 0 | 0 | 0 | 0 | 112.9 | Q2677 N2686 D2687 F2691 F2692 E2693 | Q2677-S2689 PolarHBondContact OE1-OG 3.18Å; N2686-S2689 WeakPolarHBondContact O-CB 3.28Å; N2686-S2689 PolarHBondContact O-N 3.08Å; N2686-S2689 VanDerWaalsContact O-N 3.11Å; N2686-S2689 PolarHBondContact O-OG 3.42Å; D2687-S2689 PolarHBondContact O-N 2.97Å; D2687-S2689 VanDerWaalsContact O-N 3.13Å; S2689-F2691 VanDerWaalsContact C-N 3.26Å; S2689-F2691 PolarHBondContact O-N 3.34Å; S2689-F2692 WeakPolarHBondContact O-CB 3.34Å; S2689-F2692 PolarHBondContact O-N 3.08Å; S2689-F2692 WeakPolarHBondContact OG-CD2 3.41Å; S2689-F2692 VanDerWaalsContact OG-CE2 3.31Å; S2689-F2692 WeakPolarHBondContact OG-CE2 3.48Å; S2689-E2693 PolarHBondContact O-N 2.88Å; S2689-E2693 VanDerWaalsContact O-N 3.12Å |
| 2690 | S | 81.6 | Confident | 71.2 | Confident | 25.8 Ų | 25.8 | 57.8 Ų | 57.8 | 18% | 0.18 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.9 | -31.3 | -179.1 | -59.1 | 0 | 0 | 0 | 0 | 113.4 | M2636 P2639 G2688 F2692 E2693 I2694 | M2636-S2690 WeakPolarHBondContact SD-CB 3.19Å; P2639-S2690 VanDerWaalsContact CB-CB 3.44Å; P2639-S2690 WeakPolarHBondContact CB-OG 3.47Å; G2688-S2690 VanDerWaalsContact C-N 3.29Å; G2688-S2690 PolarHBondContact O-N 3.01Å; G2688-S2690 VanDerWaalsContact O-N 3.15Å; S2690-F2692 VanDerWaalsContact C-N 3.32Å; S2690-F2692 PolarHBondContact O-N 3.18Å; S2690-E2693 WeakPolarHBondContact O-CB 3.26Å; S2690-E2693 PolarHBondContact O-N 3.23Å; S2690-I2694 WeakPolarHBondContact O-CD1 3.36Å; S2690-I2694 WeakPolarHBondContact O-CG1 3.35Å; S2690-I2694 PolarHBondContact O-N 3.16Å; S2690-I2694 VanDerWaalsContact O-N 3.14Å |
| 2691 | F | 86.1 | Confident | 73.5 | Confident | 15.2 Ų | 15.2 | 53.7 Ų | 53.7 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.2 | -37.5 | 176.9 | -112.8 | -86.7 | 0 | 0 | 0 | 112.4 | D2635 M2636 F2672 T2675 V2676 G2688 S2689 E2693 I2694 Q2695 | D2635-F2691 HydrophobicContact CB-CD2 4.18Å; D2635-F2691 HydrophobicContact CB-CE2 4.06Å; M2636-F2691 HydrophobicContact CE-CE1 4.44Å; M2636-F2691 HydrophobicContact CE-CZ 4.38Å; M2636-F2691 HydrophobicContact CG-CD2 3.93Å; M2636-F2691 HydrophobicContact CG-CE1 4.48Å; M2636-F2691 HydrophobicContact CG-CE2 3.39Å; M2636-F2691 VanDerWaalsContact CG-CE2 3.45Å; M2636-F2691 HydrophobicContact CG-CZ 3.78Å; M2636-F2691 HydrophobicContact SD-CD1 4.36Å; M2636-F2691 HydrophobicContact SD-CD2 4.01Å; M2636-F2691 HydrophobicContact SD-CE1 4.34Å; M2636-F2691 HydrophobicContact SD-CE2 3.86Å; M2636-F2691 HydrophobicContact SD-CG 4.21Å; M2636-F2691 HydrophobicContact SD-CZ 4.06Å; F2672-F2691 HydrophobicContact CB-CZ 4.49Å; F2672-F2691 HydrophobicContact CD1-CD1 4.29Å; F2672-F2691 AromaticContact CD1-CE1 3.98Å; F2672-F2691 HydrophobicContact CD1-CE1 4.16Å; F2672-F2691 AromaticContact CD1-CE2 3.72Å; F2672-F2691 HydrophobicContact CD1-CE2 3.72Å; F2672-F2691 AromaticContact CD1-CZ 3.93Å; F2672-F2691 HydrophobicContact CD1-CZ 4.01Å; F2672-F2691 HydrophobicContact CE1-CE1 4.2Å; F2672-F2691 HydrophobicContact CE1-CE2 4.2Å; F2672-F2691 VanDerWaalsContact O-CE1 3.24Å; F2672-F2691 WeakPolarHBondContact O-CE1 3.4Å; F2672-F2691 VanDerWaalsContact O-CZ 3.27Å; F2672-F2691 WeakPolarHBondContact O-CZ 3.37Å; T2675-F2691 VanDerWaalsContact CB-CZ 3.4Å; T2675-F2691 HydrophobicContact CG2-CD1 3.88Å; T2675-F2691 HydrophobicContact CG2-CE1 4.02Å; T2675-F2691 HydrophobicContact CG2-CE2 4.4Å; T2675-F2691 HydrophobicContact CG2-CG 4.34Å; T2675-F2691 HydrophobicContact CG2-CZ 3.98Å; T2675-F2691 VanDerWaalsContact O-CE1 3.29Å; T2675-F2691 WeakPolarHBondContact O-CE1 3.18Å; V2676-F2691 HydrophobicContact CG2-CB 3.95Å; G2688-F2691 PolarHBondContact O-N 3.42Å; G2688-F2691 VanDerWaalsContact O-N 3.15Å; S2689-F2691 VanDerWaalsContact C-N 3.26Å; S2689-F2691 PolarHBondContact O-N 3.34Å; F2691-E2693 VanDerWaalsContact C-N 3.3Å; F2691-E2693 PolarHBondContact O-N 3.08Å; F2691-I2694 PolarHBondContact O-N 3.22Å; F2691-I2694 VanDerWaalsContact O-N 3.15Å; F2691-Q2695 HydrophobicContact CD1-CG 4.3Å; F2691-Q2695 HydrophobicContact CE1-CG 4.12Å; F2691-Q2695 WeakPolarHBondContact O-CG 3.33Å; F2691-Q2695 PolarHBondContact O-N 3.18Å; F2691-Q2695 VanDerWaalsContact O-N 3.1Å |
| 2692 | F | 89.1 | Confident | 76.1 | Confident | 26.4 Ų | 26.4 | 49 Ų | 49 | 12% | 0.116 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.7 | -36.9 | 174.1 | -63.4 | -48.6 | 0 | 0 | 0 | 112 | V2676 G2688 S2689 S2690 I2694 Q2695 C2696 T2758 P2759 S2760 V2763 | V2676-F2692 HydrophobicContact CB-CE1 4.03Å; V2676-F2692 HydrophobicContact CG1-CD1 4.27Å; V2676-F2692 HydrophobicContact CG1-CE1 3.26Å; V2676-F2692 HydrophobicContact CG1-CZ 3.48Å; V2676-F2692 VanDerWaalsContact CG1-CZ 3.48Å; V2676-F2692 HydrophobicContact CG2-CD1 3.99Å; V2676-F2692 HydrophobicContact CG2-CE1 3.79Å; G2688-F2692 WeakPolarHBondContact O-CD2 3.24Å; G2688-F2692 PolarHBondContact O-N 3.14Å; G2688-F2692 VanDerWaalsContact O-N 3.1Å; S2689-F2692 WeakPolarHBondContact O-CB 3.34Å; S2689-F2692 PolarHBondContact O-N 3.08Å; S2689-F2692 WeakPolarHBondContact OG-CD2 3.41Å; S2689-F2692 VanDerWaalsContact OG-CE2 3.31Å; S2689-F2692 WeakPolarHBondContact OG-CE2 3.48Å; S2690-F2692 VanDerWaalsContact C-N 3.32Å; S2690-F2692 PolarHBondContact O-N 3.18Å; F2692-I2694 VanDerWaalsContact C-N 3.32Å; F2692-I2694 PolarHBondContact O-N 3.32Å; F2692-Q2695 PolarHBondContact O-N 3.2Å; F2692-C2696 PolarHBondContact O-N 3.15Å; F2692-C2696 PolarHBondContact O-SG 3.12Å; F2692-C2696 VanDerWaalsContact O-SG 3.35Å; F2692-T2758 HydrophobicContact CD1-CG2 3.94Å; F2692-T2758 HydrophobicContact CE1-CG2 3.6Å; F2692-T2758 VanDerWaalsContact CE1-OG1 3.32Å; F2692-T2758 WeakPolarHBondContact CE1-OG1 3.33Å; F2692-P2759 HydrophobicContact CE1-CG 4.42Å; F2692-P2759 HydrophobicContact CE2-CG 4.46Å; F2692-P2759 HydrophobicContact CZ-CG 3.85Å; F2692-S2760 VanDerWaalsContact CG-CB 3.45Å; F2692-V2763 HydrophobicContact CB-CG2 3.79Å; F2692-V2763 HydrophobicContact CD1-CG2 3.94Å; F2692-V2763 HydrophobicContact CG-CG2 4.24Å; F2692-V2763 WeakPolarHBondContact O-CG2 3.37Å |
| 2693 | E | 89.9 | Confident | 78.9 | Confident | 86.4 Ų | 86.4 | 43.4 Ų | 43.4 | 40% | 0.404 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.2 | -39.2 | 173.5 | -65.7 | -172.7 | -179.3 | 0 | 0 | 112.2 | R2643 S2689 S2690 F2691 Q2695 C2696 I2697 | R2643-E2693 WeakPolarHBondContact CD-OE2 3.32Å; R2643-E2693 IonicContact CZ-OE2 3.11Å; R2643-E2693 VanDerWaalsContact CZ-OE2 3.31Å; R2643-E2693 IonicContact NE-OE2 3.29Å; R2643-E2693 PolarHBondContact NE-OE2 3.39Å; R2643-E2693 IonicContact NH1-OE1 3.04Å; R2643-E2693 IonicContact NH1-OE2 2.97Å; R2643-E2693 PolarHBondContact NH1-OE2 3.23Å; S2689-E2693 PolarHBondContact O-N 2.88Å; S2689-E2693 VanDerWaalsContact O-N 3.12Å; S2690-E2693 WeakPolarHBondContact O-CB 3.26Å; S2690-E2693 PolarHBondContact O-N 3.23Å; F2691-E2693 VanDerWaalsContact C-N 3.3Å; F2691-E2693 PolarHBondContact O-N 3.08Å; E2693-Q2695 VanDerWaalsContact C-N 3.33Å; E2693-Q2695 PolarHBondContact O-N 3.41Å; E2693-C2696 VanDerWaalsContact O-CB 3.3Å; E2693-C2696 WeakPolarHBondContact O-CB 3.3Å; E2693-C2696 PolarHBondContact O-N 3.03Å; E2693-I2697 WeakPolarHBondContact O-CG1 3.3Å; E2693-I2697 PolarHBondContact O-N 3.13Å |
| 2694 | I | 91.8 | Very high | 81.4 | Confident | 0.6 Ų | 0.6 | 41.3 Ų | 41.3 | 0% | 0.003 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.4 | -42.8 | 175.6 | -64.3 | -101.7 | 0 | 0 | 0 | 111.2 | M2636 C2642 R2643 I2646 F2672 S2690 F2691 F2692 C2696 I2697 I2698 | M2636-I2694 HydrophobicContact CE-CD1 3.45Å; M2636-I2694 VanDerWaalsContact CE-CD1 3.45Å; M2636-I2694 HydrophobicContact CE-CG1 4.3Å; M2636-I2694 HydrophobicContact SD-CD1 3.6Å; M2636-I2694 VanDerWaalsContact SD-CD1 3.58Å; M2636-I2694 HydrophobicContact SD-CG1 4.47Å; C2642-I2694 HydrophobicContact CB-CD1 3.9Å; R2643-I2694 HydrophobicContact CB-CD1 4.24Å; R2643-I2694 HydrophobicContact CG-CD1 3.51Å; R2643-I2694 VanDerWaalsContact CG-CD1 3.46Å; R2643-I2694 HydrophobicContact CG-CG1 4.11Å; I2646-I2694 HydrophobicContact CD1-CD1 4.31Å; I2646-I2694 HydrophobicContact CD1-CG2 3.44Å; F2672-I2694 HydrophobicContact CB-CG2 4.24Å; F2672-I2694 HydrophobicContact CD1-CB 4.5Å; F2672-I2694 HydrophobicContact CD1-CG2 3.64Å; F2672-I2694 HydrophobicContact CE1-CG2 4.23Å; F2672-I2694 HydrophobicContact CG-CG2 4.04Å; S2690-I2694 WeakPolarHBondContact O-CD1 3.36Å; S2690-I2694 WeakPolarHBondContact O-CG1 3.35Å; S2690-I2694 PolarHBondContact O-N 3.16Å; S2690-I2694 VanDerWaalsContact O-N 3.14Å; F2691-I2694 PolarHBondContact O-N 3.22Å; F2691-I2694 VanDerWaalsContact O-N 3.15Å; F2692-I2694 VanDerWaalsContact C-N 3.32Å; F2692-I2694 PolarHBondContact O-N 3.32Å; I2694-C2696 VanDerWaalsContact C-N 3.32Å; I2694-C2696 PolarHBondContact O-N 2.92Å; I2694-I2697 HydrophobicContact CD1-CD1 4.48Å; I2694-I2697 PolarHBondContact O-N 3.11Å; I2694-I2697 VanDerWaalsContact O-N 3.13Å; I2694-I2698 HydrophobicContact CG2-CD1 4.11Å; I2694-I2698 WeakPolarHBondContact O-CG1 3.32Å; I2694-I2698 PolarHBondContact O-N 3.15Å |
| 2695 | Q | 93.2 | Very high | 83.7 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.4 | -44.1 | 173.5 | -70.7 | -179.9 | -23.6 | 0 | 0 | 111.4 | F2672 L2673 T2675 F2691 F2692 E2693 I2697 I2698 L2699 V2763 | F2672-Q2695 VanDerWaalsContact O-CG 3.31Å; F2672-Q2695 WeakPolarHBondContact O-CG 3.36Å; F2672-Q2695 PolarHBondContact O-NE2 3.18Å; F2672-Q2695 VanDerWaalsContact O-NE2 3.16Å; L2673-Q2695 HydrophobicContact CD2-CB 4.38Å; L2673-Q2695 HydrophobicContact CD2-CG 4.36Å; L2673-Q2695 PolarHBondContact O-NE2 3.18Å; L2673-Q2695 VanDerWaalsContact O-NE2 3.15Å; T2675-Q2695 PolarHBondContact O-NE2 2.69Å; F2691-Q2695 HydrophobicContact CD1-CG 4.3Å; F2691-Q2695 HydrophobicContact CE1-CG 4.12Å; F2691-Q2695 WeakPolarHBondContact O-CG 3.33Å; F2691-Q2695 PolarHBondContact O-N 3.18Å; F2691-Q2695 VanDerWaalsContact O-N 3.1Å; F2692-Q2695 PolarHBondContact O-N 3.2Å; E2693-Q2695 VanDerWaalsContact C-N 3.33Å; E2693-Q2695 PolarHBondContact O-N 3.41Å; Q2695-I2697 PolarHBondContact O-N 3.34Å; Q2695-I2698 PolarHBondContact O-N 3.05Å; Q2695-L2699 WeakPolarHBondContact O-CB 3.33Å; Q2695-L2699 WeakPolarHBondContact O-CD1 3.4Å; Q2695-L2699 VanDerWaalsContact O-CG 3.24Å; Q2695-L2699 WeakPolarHBondContact O-CG 3.36Å; Q2695-L2699 PolarHBondContact O-N 3.28Å; Q2695-V2763 HydrophobicContact CB-CG1 4.31Å; Q2695-V2763 HydrophobicContact CB-CG2 4.14Å |
| 2696 | C | 94.8 | Very high | 85.8 | Confident | 16.4 Ų | 16.4 | 32.4 Ų | 32.4 | 11% | 0.111 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.4 | -46.8 | 173.4 | -68.6 | 0 | 0 | 0 | 0 | 111.9 | F2692 E2693 I2694 I2698 L2699 D2700 S2762 | F2692-C2696 PolarHBondContact O-N 3.15Å; F2692-C2696 PolarHBondContact O-SG 3.12Å; F2692-C2696 VanDerWaalsContact O-SG 3.35Å; E2693-C2696 VanDerWaalsContact O-CB 3.3Å; E2693-C2696 WeakPolarHBondContact O-CB 3.3Å; E2693-C2696 PolarHBondContact O-N 3.03Å; I2694-C2696 VanDerWaalsContact C-N 3.32Å; I2694-C2696 PolarHBondContact O-N 2.92Å; C2696-I2698 VanDerWaalsContact C-N 3.33Å; C2696-I2698 PolarHBondContact O-N 3.21Å; C2696-L2699 PolarHBondContact O-N 3.11Å; C2696-D2700 VanDerWaalsContact O-CB 3.26Å; C2696-D2700 WeakPolarHBondContact O-CB 3.3Å; C2696-D2700 VanDerWaalsContact O-CG 3.24Å; C2696-D2700 PolarHBondContact O-N 3.26Å; C2696-S2762 VanDerWaalsContact SG-C 3.55Å; C2696-S2762 PolarHBondContact SG-O 3.33Å |
| 2697 | I | 94.6 | Very high | 87.8 | Confident | 31.4 Ų | 31.4 | 28.4 Ų | 28.4 | 16% | 0.161 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.2 | -42 | 179.3 | -68.9 | 165.9 | 0 | 0 | 0 | 111.5 | R2643 I2646 E2693 I2694 Q2695 D2700 N2701 | R2643-I2697 HydrophobicContact CB-CD1 3.74Å; R2643-I2697 HydrophobicContact CG-CD1 3.57Å; I2646-I2697 HydrophobicContact CG2-CG2 3.99Å; E2693-I2697 WeakPolarHBondContact O-CG1 3.3Å; E2693-I2697 PolarHBondContact O-N 3.13Å; I2694-I2697 HydrophobicContact CD1-CD1 4.48Å; I2694-I2697 PolarHBondContact O-N 3.11Å; I2694-I2697 VanDerWaalsContact O-N 3.13Å; Q2695-I2697 PolarHBondContact O-N 3.34Å; I2697-D2700 PolarHBondContact O-N 3.38Å; I2697-N2701 VanDerWaalsContact O-CB 3.28Å; I2697-N2701 WeakPolarHBondContact O-CB 3.4Å; I2697-N2701 PolarHBondContact O-N 3.13Å; I2697-N2701 PolarHBondContact O-ND2 3.04Å |
| 2698 | I | 96 | Very high | 89.6 | Confident | 2.8 Ų | 2.8 | 28.3 Ų | 28.3 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.9 | -45.4 | 178.4 | -63.4 | 170.7 | 0 | 0 | 0 | 110.8 | I2646 L2669 F2672 L2673 I2694 Q2695 C2696 D2700 N2701 L2702 | I2646-I2698 HydrophobicContact CG2-CD1 4.41Å; I2646-I2698 HydrophobicContact CG2-CG1 3.71Å; L2669-I2698 HydrophobicContact CB-CG2 4.45Å; L2669-I2698 HydrophobicContact CD2-CD1 3.96Å; L2669-I2698 HydrophobicContact CD2-CG1 4.03Å; L2669-I2698 HydrophobicContact CD2-CG2 4.25Å; F2672-I2698 HydrophobicContact CB-CD1 3.46Å; F2672-I2698 VanDerWaalsContact CB-CD1 3.45Å; F2672-I2698 HydrophobicContact CG-CD1 4.21Å; L2673-I2698 HydrophobicContact CD1-CG2 4.05Å; L2673-I2698 HydrophobicContact CD2-CB 4.19Å; L2673-I2698 HydrophobicContact CD2-CG2 3.96Å; L2673-I2698 HydrophobicContact CG-CD1 4.47Å; L2673-I2698 HydrophobicContact CG-CG2 4.09Å; I2694-I2698 HydrophobicContact CG2-CD1 4.11Å; I2694-I2698 WeakPolarHBondContact O-CG1 3.32Å; I2694-I2698 PolarHBondContact O-N 3.15Å; Q2695-I2698 PolarHBondContact O-N 3.05Å; C2696-I2698 VanDerWaalsContact C-N 3.33Å; C2696-I2698 PolarHBondContact O-N 3.21Å; I2698-D2700 VanDerWaalsContact C-N 3.33Å; I2698-D2700 PolarHBondContact O-N 3.08Å; I2698-N2701 WeakPolarHBondContact O-CB 3.43Å; I2698-N2701 PolarHBondContact O-N 2.99Å; I2698-L2702 HydrophobicContact CG2-CD1 4.38Å; I2698-L2702 WeakPolarHBondContact O-CG 3.22Å; I2698-L2702 PolarHBondContact O-N 3.27Å |
| 2699 | L | 96.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.2 | -39.4 | 178.4 | -68.5 | 168 | 0 | 0 | 0 | 112.4 | L2673 Q2695 C2696 L2702 T2703 V2751 C2755 V2763 S2766 A2767 L2770 | L2673-L2699 HydrophobicContact CD2-CD2 4.21Å; L2673-L2699 HydrophobicContact CD2-CG 4.2Å; Q2695-L2699 WeakPolarHBondContact O-CB 3.33Å; Q2695-L2699 WeakPolarHBondContact O-CD1 3.4Å; Q2695-L2699 VanDerWaalsContact O-CG 3.24Å; Q2695-L2699 WeakPolarHBondContact O-CG 3.36Å; Q2695-L2699 PolarHBondContact O-N 3.28Å; C2696-L2699 PolarHBondContact O-N 3.11Å; L2699-L2702 PolarHBondContact O-N 2.99Å; L2699-T2703 WeakPolarHBondContact O-CB 3.35Å; L2699-T2703 PolarHBondContact O-N 3.28Å; L2699-T2703 PolarHBondContact O-OG1 3.2Å; L2699-V2751 HydrophobicContact CD2-CB 4.33Å; L2699-V2751 HydrophobicContact CD2-CG1 3.8Å; L2699-V2751 HydrophobicContact CD2-CG2 3.52Å; L2699-V2751 VanDerWaalsContact CD2-CG2 3.48Å; L2699-C2755 HydrophobicContact CD1-CB 4.26Å; L2699-V2763 HydrophobicContact CD1-CG1 4.07Å; L2699-S2766 WeakPolarHBondContact CB-OG 3.33Å; L2699-A2767 HydrophobicContact CD1-CB 4.19Å; L2699-A2767 HydrophobicContact CD2-CB 3.85Å; L2699-A2767 HydrophobicContact CG-CB 4.47Å; L2699-L2770 HydrophobicContact CD2-CD2 4.03Å |
| 2700 | D | 95 | Very high | 91.4 | Very high | 59.4 Ų | 59.4 | 29.4 Ų | 29.4 | 32% | 0.318 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -69.9 | -38.2 | 176.5 | -70.1 | -9 | 0 | 0 | 0 | 110.8 | C2696 I2697 I2698 T2703 H2704 S2766 | C2696-D2700 VanDerWaalsContact O-CB 3.26Å; C2696-D2700 WeakPolarHBondContact O-CB 3.3Å; C2696-D2700 VanDerWaalsContact O-CG 3.24Å; C2696-D2700 PolarHBondContact O-N 3.26Å; I2697-D2700 PolarHBondContact O-N 3.38Å; I2698-D2700 VanDerWaalsContact C-N 3.33Å; I2698-D2700 PolarHBondContact O-N 3.08Å; D2700-T2703 PolarHBondContact O-N 3.19Å; D2700-H2704 VanDerWaalsContact O-CB 3.27Å; D2700-H2704 WeakPolarHBondContact O-CB 3.42Å; D2700-H2704 PolarHBondContact O-CD2 3Å; D2700-H2704 PolarHBondContact O-N 3.25Å; D2700-H2704 PolarHBondContact O-ND1 3.38Å; D2700-S2766 VanDerWaalsContact OD1-CB 3.28Å; D2700-S2766 WeakPolarHBondContact OD1-CB 3.39Å; D2700-S2766 PolarHBondContact OD1-OG 3.2Å |
| 2701 | N | 93.6 | Very high | 91.5 | Very high | 15.2 Ų | 15.2 | 35.2 Ų | 35.2 | 8% | 0.081 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.4 | -50.1 | 172.3 | -77.1 | -19.7 | 0 | 0 | 0 | 111.1 | I2646 G2650 F2654 I2697 I2698 T2703 H2704 Y2705 | I2646-N2701 PolarHBondContact O-ND2 3.19Å; G2650-N2701 WeakPolarHBondContact CA-ND2 3.35Å; F2654-N2701 HydrophobicContact CE1-CB 4.17Å; F2654-N2701 WeakPolarHBondContact CE1-O 3.18Å; F2654-N2701 HydrophobicContact CZ-CB 4.39Å; F2654-N2701 VanDerWaalsContact CZ-O 3.27Å; F2654-N2701 WeakPolarHBondContact CZ-O 3.35Å; I2697-N2701 VanDerWaalsContact O-CB 3.28Å; I2697-N2701 WeakPolarHBondContact O-CB 3.4Å; I2697-N2701 PolarHBondContact O-N 3.13Å; I2697-N2701 PolarHBondContact O-ND2 3.04Å; I2698-N2701 WeakPolarHBondContact O-CB 3.43Å; I2698-N2701 PolarHBondContact O-N 2.99Å; N2701-T2703 VanDerWaalsContact C-N 3.31Å; N2701-T2703 PolarHBondContact O-N 3.02Å; N2701-H2704 PolarHBondContact O-N 3.19Å; N2701-Y2705 VanDerWaalsContact O-CB 3.32Å; N2701-Y2705 WeakPolarHBondContact O-CB 3.29Å; N2701-Y2705 PolarHBondContact O-N 3.08Å |
| 2702 | L | 95 | Very high | 91.3 | Very high | 4.2 Ų | 4.2 | 40 Ų | 40 | 2% | 0.022 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.9 | -42.4 | 176 | -69.9 | 170.2 | 0 | 0 | 0 | 111.7 | F2660 I2698 L2699 Y2705 L2706 V2743 Y2747 L2770 | F2660-L2702 HydrophobicContact CD1-CD2 4.02Å; F2660-L2702 HydrophobicContact CE1-CD2 3.75Å; F2660-L2702 HydrophobicContact CZ-CD2 4.36Å; I2698-L2702 HydrophobicContact CG2-CD1 4.38Å; I2698-L2702 WeakPolarHBondContact O-CG 3.22Å; I2698-L2702 PolarHBondContact O-N 3.27Å; L2699-L2702 PolarHBondContact O-N 2.99Å; L2702-Y2705 PolarHBondContact O-N 3.23Å; L2702-L2706 WeakPolarHBondContact O-CG 3.26Å; L2702-L2706 PolarHBondContact O-N 3.21Å; L2702-L2706 VanDerWaalsContact O-N 3.14Å; L2702-V2743 HydrophobicContact CD2-CG1 3.87Å; L2702-Y2747 HydrophobicContact CD1-CD1 4.21Å; L2702-Y2747 HydrophobicContact CD1-CD2 4.44Å; L2702-Y2747 HydrophobicContact CD1-CG 3.91Å; L2702-Y2747 HydrophobicContact CD2-CD2 3.86Å; L2702-Y2747 HydrophobicContact CD2-CE2 4.28Å; L2702-Y2747 HydrophobicContact CD2-CG 4.17Å; L2702-L2770 HydrophobicContact CB-CD1 3.92Å; L2702-L2770 HydrophobicContact CB-CD2 4.21Å; L2702-L2770 HydrophobicContact CD1-CD2 4.15Å |
| 2703 | T | 95.5 | Very high | 90.8 | Very high | 9.2 Ų | 9.2 | 40.7 Ų | 40.7 | 6% | 0.056 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.6 | -46.9 | 178.4 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | L2699 D2700 N2701 Y2705 L2706 L2707 S2766 L2770 | L2699-T2703 WeakPolarHBondContact O-CB 3.35Å; L2699-T2703 PolarHBondContact O-N 3.28Å; L2699-T2703 PolarHBondContact O-OG1 3.2Å; D2700-T2703 PolarHBondContact O-N 3.19Å; N2701-T2703 VanDerWaalsContact C-N 3.31Å; N2701-T2703 PolarHBondContact O-N 3.02Å; T2703-Y2705 VanDerWaalsContact C-N 3.31Å; T2703-Y2705 PolarHBondContact O-N 3Å; T2703-L2706 PolarHBondContact O-N 3.34Å; T2703-L2707 HydrophobicContact CG2-CD1 4Å; T2703-L2707 HydrophobicContact CG2-CG 4.36Å; T2703-L2707 WeakPolarHBondContact O-CB 3.23Å; T2703-L2707 WeakPolarHBondContact O-CD1 3.48Å; T2703-L2707 VanDerWaalsContact O-CG 3.26Å; T2703-L2707 WeakPolarHBondContact O-CG 3.32Å; T2703-L2707 PolarHBondContact O-N 3.07Å; T2703-S2766 PolarHBondContact OG1-O 3.21Å; T2703-L2770 WeakPolarHBondContact OG1-CA 3.32Å; T2703-L2770 WeakPolarHBondContact OG1-CB 3.41Å; T2703-L2770 PolarHBondContact OG1-N 3.26Å |
| 2704 | H | 91.7 | Very high | 90.1 | Very high | 97.4 Ų | 97.4 | 39.4 Ų | 39.4 | 45% | 0.451 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.8 | -38.2 | 178.3 | -76 | -159 | 0 | 0 | 0 | 112.5 | F2654 D2700 N2701 L2707 Q2708 | F2654-H2704 VanDerWaalsContact CE1-C 3.45Å; F2654-H2704 HydrophobicContact CE1-CB 3.68Å; F2654-H2704 HydrophobicContact CE2-CB 3.98Å; F2654-H2704 HydrophobicContact CZ-CB 3.64Å; F2654-H2704 VanDerWaalsContact CZ-CB 3.5Å; D2700-H2704 VanDerWaalsContact O-CB 3.27Å; D2700-H2704 WeakPolarHBondContact O-CB 3.42Å; D2700-H2704 PolarHBondContact O-CD2 3Å; D2700-H2704 PolarHBondContact O-N 3.25Å; D2700-H2704 PolarHBondContact O-ND1 3.38Å; N2701-H2704 PolarHBondContact O-N 3.19Å; H2704-L2707 PolarHBondContact O-N 3.23Å; H2704-Q2708 VanDerWaalsContact O-CB 3.3Å; H2704-Q2708 WeakPolarHBondContact O-CB 3.34Å; H2704-Q2708 PolarHBondContact O-N 3.16Å |
| 2705 | Y | 93.2 | Very high | 89.3 | Confident | 1.8 Ų | 1.8 | 41.5 Ų | 41.5 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.6 | -53.7 | 173.3 | 162.8 | -107.9 | 0 | 0 | 0 | 111.1 | F2654 D2657 F2660 N2701 L2702 T2703 L2707 Q2708 K2709 S2740 V2743 | F2654-Y2705 HydrophobicContact CD1-CD2 4.37Å; F2654-Y2705 HydrophobicContact CD1-CG 4.5Å; F2654-Y2705 VanDerWaalsContact CE1-N 3.34Å; D2657-Y2705 HydrophobicContact CB-CD2 4.43Å; D2657-Y2705 HydrophobicContact CB-CE2 3.49Å; D2657-Y2705 VanDerWaalsContact CB-CE2 3.46Å; D2657-Y2705 WeakPolarHBondContact CB-OH 3.36Å; D2657-Y2705 PolarHBondContact OD2-OH 3.07Å; F2660-Y2705 HydrophobicContact CE2-CD1 4.16Å; F2660-Y2705 AromaticContact CE2-CD2 3.85Å; F2660-Y2705 HydrophobicContact CE2-CD2 3.91Å; F2660-Y2705 HydrophobicContact CE2-CE1 4.47Å; F2660-Y2705 HydrophobicContact CE2-CE2 4.31Å; F2660-Y2705 AromaticContact CE2-CG 3.84Å; F2660-Y2705 HydrophobicContact CE2-CG 3.84Å; F2660-Y2705 HydrophobicContact CZ-CG 4.37Å; N2701-Y2705 VanDerWaalsContact O-CB 3.32Å; N2701-Y2705 WeakPolarHBondContact O-CB 3.29Å; N2701-Y2705 PolarHBondContact O-N 3.08Å; L2702-Y2705 PolarHBondContact O-N 3.23Å; T2703-Y2705 VanDerWaalsContact C-N 3.31Å; T2703-Y2705 PolarHBondContact O-N 3Å; Y2705-L2707 VanDerWaalsContact C-N 3.33Å; Y2705-L2707 PolarHBondContact O-N 2.96Å; Y2705-Q2708 PolarHBondContact O-N 3.22Å; Y2705-Q2708 VanDerWaalsContact O-N 3.13Å; Y2705-K2709 HydrophobicContact CD2-CG 4.24Å; Y2705-K2709 HydrophobicContact CE2-CD 4.2Å; Y2705-K2709 VanDerWaalsContact CE2-CE 3.48Å; Y2705-K2709 HydrophobicContact CE2-CG 3.73Å; Y2705-K2709 WeakPolarHBondContact O-CG 3.43Å; Y2705-K2709 PolarHBondContact O-N 3.16Å; Y2705-K2709 WeakPolarHBondContact OH-CE 3.42Å; Y2705-S2740 WeakPolarHBondContact OH-CA 3.22Å; Y2705-S2740 PolarHBondContact OH-OG 3.14Å; Y2705-V2743 HydrophobicContact CD1-CG1 4.19Å; Y2705-V2743 HydrophobicContact CE1-CB 4.01Å; Y2705-V2743 HydrophobicContact CE1-CG1 3.94Å; Y2705-V2743 HydrophobicContact CE1-CG2 4.09Å |
| 2706 | L | 92.7 | Very high | 88.4 | Confident | 2.6 Ų | 2.6 | 44.1 Ų | 44.1 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -40.8 | 178.9 | -66.9 | -179.4 | 0 | 0 | 0 | 112.1 | L2702 T2703 Q2708 K2709 E2710 L2770 T2773 I2774 Q2777 L2779 | L2702-L2706 WeakPolarHBondContact O-CG 3.26Å; L2702-L2706 PolarHBondContact O-N 3.21Å; L2702-L2706 VanDerWaalsContact O-N 3.14Å; T2703-L2706 PolarHBondContact O-N 3.34Å; L2706-Q2708 VanDerWaalsContact C-N 3.3Å; L2706-Q2708 PolarHBondContact O-N 3.09Å; L2706-K2709 PolarHBondContact O-N 2.96Å; L2706-E2710 WeakPolarHBondContact O-CB 3.4Å; L2706-E2710 PolarHBondContact O-N 3.09Å; L2706-L2770 HydrophobicContact CD1-CD1 3.85Å; L2706-T2773 HydrophobicContact CB-CG2 3.75Å; L2706-T2773 HydrophobicContact CD1-CG2 4.35Å; L2706-I2774 HydrophobicContact CD1-CD1 4.37Å; L2706-I2774 HydrophobicContact CD1-CG1 3.68Å; L2706-Q2777 VanDerWaalsContact C-NE2 3.28Å; L2706-Q2777 PolarHBondContact O-NE2 3.17Å; L2706-L2779 HydrophobicContact CD1-CD1 4.18Å; L2706-L2779 HydrophobicContact CD2-CD1 3.71Å; L2706-L2779 HydrophobicContact CG-CD1 4.47Å |
| 2707 | L | 90.7 | Very high | 87.4 | Confident | 38 Ų | 38 | 48.4 Ų | 48.4 | 20% | 0.199 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.3 | -37 | 175.2 | -72.8 | 172.4 | 0 | 0 | 0 | 112.5 | T2703 H2704 Y2705 E2710 R2711 T2773 | T2703-L2707 HydrophobicContact CG2-CD1 4Å; T2703-L2707 HydrophobicContact CG2-CG 4.36Å; T2703-L2707 WeakPolarHBondContact O-CB 3.23Å; T2703-L2707 WeakPolarHBondContact O-CD1 3.48Å; T2703-L2707 VanDerWaalsContact O-CG 3.26Å; T2703-L2707 WeakPolarHBondContact O-CG 3.32Å; T2703-L2707 PolarHBondContact O-N 3.07Å; H2704-L2707 PolarHBondContact O-N 3.23Å; Y2705-L2707 VanDerWaalsContact C-N 3.33Å; Y2705-L2707 PolarHBondContact O-N 2.96Å; L2707-E2710 PolarHBondContact O-N 3.18Å; L2707-R2711 VanDerWaalsContact O-CG 3.29Å; L2707-R2711 WeakPolarHBondContact O-CG 3.35Å; L2707-R2711 PolarHBondContact O-N 3.18Å; L2707-R2711 VanDerWaalsContact O-N 3.13Å; L2707-T2773 HydrophobicContact CD2-CG2 3.88Å; L2707-T2773 HydrophobicContact CG-CG2 4.24Å |
| 2708 | Q | 86.6 | Confident | 86.4 | Confident | 85 Ų | 85 | 55.1 Ų | 55.1 | 40% | 0.397 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -71.1 | -39.2 | 177.9 | -171.8 | 158 | -14.8 | 0 | 0 | 111.4 | K2564 H2704 Y2705 L2706 R2711 K2712 | K2564-Q2708 VanDerWaalsContact CE-OE1 3.23Å; H2704-Q2708 VanDerWaalsContact O-CB 3.3Å; H2704-Q2708 WeakPolarHBondContact O-CB 3.34Å; H2704-Q2708 PolarHBondContact O-N 3.16Å; Y2705-Q2708 PolarHBondContact O-N 3.22Å; Y2705-Q2708 VanDerWaalsContact O-N 3.13Å; L2706-Q2708 VanDerWaalsContact C-N 3.3Å; L2706-Q2708 PolarHBondContact O-N 3.09Å; Q2708-R2711 PolarHBondContact O-N 3.05Å; Q2708-K2712 WeakPolarHBondContact O-CB 3.33Å; Q2708-K2712 PolarHBondContact O-N 3.12Å |
| 2709 | K | 86.7 | Confident | 85.3 | Confident | 44 Ų | 44 | 59.7 Ų | 59.7 | 19% | 0.191 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 173.4 | -71.7 | -78.7 | -177.5 | 162 | 0 | 112 | D2657 Y2705 L2706 K2712 A2713 | D2657-K2709 IonicContact OD1-NZ 3.62Å; D2657-K2709 PolarHBondContact OD1-NZ 3.31Å; D2657-K2709 VanDerWaalsContact OD2-CE 3.28Å; D2657-K2709 WeakPolarHBondContact OD2-CE 3.36Å; D2657-K2709 IonicContact OD2-NZ 3.35Å; D2657-K2709 PolarHBondContact OD2-NZ 3.08Å; Y2705-K2709 HydrophobicContact CD2-CG 4.24Å; Y2705-K2709 HydrophobicContact CE2-CD 4.2Å; Y2705-K2709 VanDerWaalsContact CE2-CE 3.48Å; Y2705-K2709 HydrophobicContact CE2-CG 3.73Å; Y2705-K2709 WeakPolarHBondContact O-CG 3.43Å; Y2705-K2709 PolarHBondContact O-N 3.16Å; Y2705-K2709 WeakPolarHBondContact OH-CE 3.42Å; L2706-K2709 PolarHBondContact O-N 2.96Å; K2709-K2712 PolarHBondContact O-N 3.36Å; K2709-A2713 WeakPolarHBondContact O-CB 3.32Å; K2709-A2713 PolarHBondContact O-N 2.9Å |
| 2710 | E | 85.9 | Confident | 84.2 | Confident | 52.2 Ų | 52.2 | 63.6 Ų | 63.6 | 24% | 0.244 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 173.8 | 176.4 | -179.3 | -167.5 | 0 | 0 | 112.4 | L2706 L2707 K2712 A2713 T2714 R2776 Q2777 | L2706-E2710 WeakPolarHBondContact O-CB 3.4Å; L2706-E2710 PolarHBondContact O-N 3.09Å; L2707-E2710 PolarHBondContact O-N 3.18Å; E2710-K2712 VanDerWaalsContact C-N 3.32Å; E2710-K2712 PolarHBondContact O-N 3.03Å; E2710-A2713 PolarHBondContact O-N 2.92Å; E2710-T2714 VanDerWaalsContact O-CB 3.28Å; E2710-T2714 WeakPolarHBondContact O-CB 3.43Å; E2710-T2714 WeakPolarHBondContact O-CG2 3.4Å; E2710-T2714 PolarHBondContact O-N 3.14Å; E2710-T2714 PolarHBondContact O-OG1 3.07Å; E2710-T2714 VanDerWaalsContact O-OG1 3.09Å; E2710-R2776 VanDerWaalsContact CD-NH2 3.34Å; E2710-R2776 IonicContact OE1-CZ 3.18Å; E2710-R2776 IonicContact OE1-NE 3.38Å; E2710-R2776 PolarHBondContact OE1-NE 3.26Å; E2710-R2776 VanDerWaalsContact OE1-NE 3.11Å; E2710-R2776 IonicContact OE1-NH2 3.45Å; E2710-R2776 PolarHBondContact OE1-NH2 3.23Å; E2710-R2776 IonicContact OE2-CZ 3.66Å; E2710-R2776 IonicContact OE2-NE 3.38Å; E2710-R2776 PolarHBondContact OE2-NE 3.24Å; E2710-R2776 IonicContact OE2-NH2 3.15Å; E2710-R2776 PolarHBondContact OE2-NH2 3.16Å; E2710-Q2777 HydrophobicContact CB-CG 4.17Å; E2710-Q2777 VanDerWaalsContact CB-NE2 3.28Å; E2710-Q2777 HydrophobicContact CG-CG 4.25Å; E2710-Q2777 PolarHBondContact OE2-NE2 3.12Å |
| 2711 | R | 82.5 | Confident | 83.1 | Confident | 146.6 Ų | 146.6 | 64.1 Ų | 64.1 | 55% | 0.553 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.3 | -42.7 | 174 | -73.6 | 174.1 | -170.7 | 152.3 | -1.6 | 112 | L2707 Q2708 T2714 A2715 | L2707-R2711 VanDerWaalsContact O-CG 3.29Å; L2707-R2711 WeakPolarHBondContact O-CG 3.35Å; L2707-R2711 PolarHBondContact O-N 3.18Å; L2707-R2711 VanDerWaalsContact O-N 3.13Å; Q2708-R2711 PolarHBondContact O-N 3.05Å; R2711-T2714 VanDerWaalsContact CA-OG1 3.31Å; R2711-T2714 WeakPolarHBondContact CA-OG1 3.4Å; R2711-T2714 WeakPolarHBondContact O-CB 3.33Å; R2711-T2714 PolarHBondContact O-N 3.35Å; R2711-T2714 PolarHBondContact O-OG1 3.02Å; R2711-A2715 WeakPolarHBondContact O-CB 3.41Å; R2711-A2715 PolarHBondContact O-N 3.27Å |
| 2712 | K | 81.6 | Confident | 82.3 | Confident | 116 Ų | 116 | 67.9 Ų | 67.9 | 50% | 0.504 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.8 | -50.2 | 176.7 | -170.1 | -173.6 | 175.2 | -171.5 | 0 | 110.9 | Q2708 K2709 E2710 T2714 A2715 D2716 | Q2708-K2712 WeakPolarHBondContact O-CB 3.33Å; Q2708-K2712 PolarHBondContact O-N 3.12Å; K2709-K2712 PolarHBondContact O-N 3.36Å; E2710-K2712 VanDerWaalsContact C-N 3.32Å; E2710-K2712 PolarHBondContact O-N 3.03Å; K2712-T2714 VanDerWaalsContact C-N 3.3Å; K2712-T2714 PolarHBondContact O-N 3.19Å; K2712-A2715 WeakPolarHBondContact O-CA 3.49Å; K2712-A2715 WeakPolarHBondContact O-CB 3.37Å; K2712-A2715 PolarHBondContact O-N 3.19Å; K2712-A2715 VanDerWaalsContact O-N 3.09Å; K2712-D2716 WeakPolarHBondContact CD-OD2 3.49Å; K2712-D2716 VanDerWaalsContact CE-OD2 3.32Å; K2712-D2716 WeakPolarHBondContact CE-OD2 3.3Å; K2712-D2716 WeakPolarHBondContact CG-OD2 3.5Å; K2712-D2716 IonicContact NZ-OD2 3.68Å; K2712-D2716 PolarHBondContact NZ-OD2 2.97Å; K2712-D2716 WeakPolarHBondContact O-CB 3.4Å; K2712-D2716 VanDerWaalsContact O-CG 3.25Å; K2712-D2716 PolarHBondContact O-N 3Å |
| 2713 | A | 78.6 | Confident | 81.1 | Confident | 42.4 Ų | 42.4 | 73.9 Ų | 73.9 | 35% | 0.35 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.6 | -38 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K2709 E2710 A2715 N2717 | K2709-A2713 WeakPolarHBondContact O-CB 3.32Å; K2709-A2713 PolarHBondContact O-N 2.9Å; E2710-A2713 PolarHBondContact O-N 2.92Å; A2713-A2715 VanDerWaalsContact C-N 3.34Å; A2713-A2715 PolarHBondContact O-N 3.4Å; A2713-N2717 VanDerWaalsContact O-CB 3.26Å; A2713-N2717 WeakPolarHBondContact O-CB 3.4Å; A2713-N2717 PolarHBondContact O-N 3.17Å; A2713-N2717 PolarHBondContact O-ND2 3.18Å; A2713-N2717 VanDerWaalsContact O-ND2 3.1Å |
| 2714 | T | 75.9 | Confident | 80.1 | Confident | 57.2 Ų | 57.2 | 75.7 Ų | 75.7 | 35% | 0.351 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.4 | -36.3 | 174.5 | -18.4 | 0 | 0 | 0 | 0 | 112.8 | E2710 R2711 K2712 R2718 | E2710-T2714 VanDerWaalsContact O-CB 3.28Å; E2710-T2714 WeakPolarHBondContact O-CB 3.43Å; E2710-T2714 WeakPolarHBondContact O-CG2 3.4Å; E2710-T2714 PolarHBondContact O-N 3.14Å; E2710-T2714 PolarHBondContact O-OG1 3.07Å; E2710-T2714 VanDerWaalsContact O-OG1 3.09Å; R2711-T2714 VanDerWaalsContact CA-OG1 3.31Å; R2711-T2714 WeakPolarHBondContact CA-OG1 3.4Å; R2711-T2714 WeakPolarHBondContact O-CB 3.33Å; R2711-T2714 PolarHBondContact O-N 3.35Å; R2711-T2714 PolarHBondContact O-OG1 3.02Å; K2712-T2714 VanDerWaalsContact C-N 3.3Å; K2712-T2714 PolarHBondContact O-N 3.19Å; T2714-R2718 WeakPolarHBondContact O-CD 3.24Å; T2714-R2718 VanDerWaalsContact O-CG 3.29Å; T2714-R2718 WeakPolarHBondContact O-CG 3.34Å; T2714-R2718 PolarHBondContact O-N 3.13Å |
| 2715 | A | 74 | Confident | 79.4 | Confident | 45.6 Ų | 45.6 | 80 Ų | 80 | 38% | 0.377 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -71.5 | -46.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R2711 K2712 A2713 N2717 R2718 L2719 | R2711-A2715 WeakPolarHBondContact O-CB 3.41Å; R2711-A2715 PolarHBondContact O-N 3.27Å; K2712-A2715 WeakPolarHBondContact O-CA 3.49Å; K2712-A2715 WeakPolarHBondContact O-CB 3.37Å; K2712-A2715 PolarHBondContact O-N 3.19Å; K2712-A2715 VanDerWaalsContact O-N 3.09Å; A2713-A2715 VanDerWaalsContact C-N 3.34Å; A2713-A2715 PolarHBondContact O-N 3.4Å; A2715-N2717 VanDerWaalsContact C-N 3.31Å; A2715-N2717 PolarHBondContact O-N 3.13Å; A2715-R2718 WeakPolarHBondContact O-CB 3.39Å; A2715-R2718 PolarHBondContact O-N 3.26Å; A2715-R2718 VanDerWaalsContact O-N 3.12Å; A2715-L2719 PolarHBondContact O-N 3.03Å; A2715-L2719 VanDerWaalsContact O-N 3.1Å |
| 2716 | D | 74.8 | Confident | 78.4 | Confident | 59.6 Ų | 59.6 | 89.3 Ų | 89.3 | 32% | 0.319 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 177.6 | -66.7 | -13.4 | 0 | 0 | 0 | 110.6 | K2712 R2718 L2719 W2720 R2723 | K2712-D2716 WeakPolarHBondContact CD-OD2 3.49Å; K2712-D2716 VanDerWaalsContact CE-OD2 3.32Å; K2712-D2716 WeakPolarHBondContact CE-OD2 3.3Å; K2712-D2716 WeakPolarHBondContact CG-OD2 3.5Å; K2712-D2716 IonicContact NZ-OD2 3.68Å; K2712-D2716 PolarHBondContact NZ-OD2 2.97Å; K2712-D2716 WeakPolarHBondContact O-CB 3.4Å; K2712-D2716 VanDerWaalsContact O-CG 3.25Å; K2712-D2716 PolarHBondContact O-N 3Å; D2716-R2718 VanDerWaalsContact C-N 3.32Å; D2716-R2718 PolarHBondContact O-N 3.2Å; D2716-L2719 CarbonylContact O-C 3.44Å; D2716-L2719 PolarHBondContact O-N 3.07Å; D2716-L2719 VanDerWaalsContact O-N 3.16Å; D2716-W2720 WeakPolarHBondContact O-CB 3.38Å; D2716-W2720 PolarHBondContact O-N 3.11Å; D2716-R2723 IonicContact OD2-NH1 2.73Å |
| 2717 | N | 74.9 | Confident | 77.4 | Confident | 105.6 Ų | 105.6 | 93.4 Ų | 93.4 | 57% | 0.565 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.8 | -32.9 | 174.4 | -78.2 | -19.3 | 0 | 0 | 0 | 113.6 | A2713 A2715 L2719 W2720 A2721 | A2713-N2717 VanDerWaalsContact O-CB 3.26Å; A2713-N2717 WeakPolarHBondContact O-CB 3.4Å; A2713-N2717 PolarHBondContact O-N 3.17Å; A2713-N2717 PolarHBondContact O-ND2 3.18Å; A2713-N2717 VanDerWaalsContact O-ND2 3.1Å; A2715-N2717 VanDerWaalsContact C-N 3.31Å; A2715-N2717 PolarHBondContact O-N 3.13Å; N2717-L2719 VanDerWaalsContact C-N 3.31Å; N2717-W2720 VanDerWaalsContact O-CB 3.31Å; N2717-W2720 WeakPolarHBondContact O-CB 3.45Å; N2717-W2720 PolarHBondContact O-N 2.94Å; N2717-A2721 WeakPolarHBondContact O-CB 3.35Å; N2717-A2721 PolarHBondContact O-N 3.32Å |
| 2718 | R | 72.5 | Confident | 76.3 | Confident | 172.2 Ų | 172.2 | 95 Ų | 95 | 65% | 0.65 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -70.9 | -38.6 | 174.9 | -72.1 | 169.5 | -176.7 | -176.9 | 1.4 | 111.6 | T2714 A2715 D2716 W2720 A2721 T2722 | T2714-R2718 WeakPolarHBondContact O-CD 3.24Å; T2714-R2718 VanDerWaalsContact O-CG 3.29Å; T2714-R2718 WeakPolarHBondContact O-CG 3.34Å; T2714-R2718 PolarHBondContact O-N 3.13Å; A2715-R2718 WeakPolarHBondContact O-CB 3.39Å; A2715-R2718 PolarHBondContact O-N 3.26Å; A2715-R2718 VanDerWaalsContact O-N 3.12Å; D2716-R2718 VanDerWaalsContact C-N 3.32Å; D2716-R2718 PolarHBondContact O-N 3.2Å; R2718-W2720 VanDerWaalsContact C-N 3.33Å; R2718-W2720 PolarHBondContact O-N 2.88Å; R2718-A2721 PolarHBondContact O-N 3.26Å; R2718-T2722 PolarHBondContact O-N 2.77Å; R2718-T2722 PolarHBondContact O-OG1 3.11Å; R2718-T2722 VanDerWaalsContact O-OG1 3.06Å |
| 2719 | L | 73.4 | Confident | 75.4 | Confident | 99.2 Ų | 99.2 | 97.8 Ų | 97.8 | 52% | 0.519 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -73.5 | -26.7 | 175.9 | -64.7 | 175 | 0 | 0 | 0 | 111.7 | A2715 D2716 N2717 A2721 T2722 R2723 | A2715-L2719 PolarHBondContact O-N 3.03Å; A2715-L2719 VanDerWaalsContact O-N 3.1Å; D2716-L2719 CarbonylContact O-C 3.44Å; D2716-L2719 PolarHBondContact O-N 3.07Å; D2716-L2719 VanDerWaalsContact O-N 3.16Å; N2717-L2719 VanDerWaalsContact C-N 3.31Å; L2719-A2721 PolarHBondContact O-N 3.28Å; L2719-A2721 VanDerWaalsContact O-N 3.08Å; L2719-T2722 WeakPolarHBondContact O-CA 3.21Å; L2719-T2722 WeakPolarHBondContact O-CB 3.4Å; L2719-T2722 PolarHBondContact O-N 3.06Å; L2719-T2722 VanDerWaalsContact O-N 3.08Å; L2719-T2722 PolarHBondContact O-OG1 3.17Å; L2719-R2723 PolarHBondContact O-N 3.15Å; L2719-R2723 VanDerWaalsContact O-N 3.14Å |
| 2720 | W | 73 | Confident | 74.5 | Confident | 82 Ų | 82 | 104.5 Ų | 104.5 | 31% | 0.311 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.5 | -40.5 | 177.8 | -179.6 | -105.3 | 0 | 0 | 0 | 112.9 | D2716 N2717 R2718 T2722 R2723 S2724 E2727 S2728 L2729 L2732 | D2716-W2720 WeakPolarHBondContact O-CB 3.38Å; D2716-W2720 PolarHBondContact O-N 3.11Å; N2717-W2720 VanDerWaalsContact O-CB 3.31Å; N2717-W2720 WeakPolarHBondContact O-CB 3.45Å; N2717-W2720 PolarHBondContact O-N 2.94Å; R2718-W2720 VanDerWaalsContact C-N 3.33Å; R2718-W2720 PolarHBondContact O-N 2.88Å; W2720-T2722 VanDerWaalsContact C-N 3.29Å; W2720-T2722 PolarHBondContact O-N 3.01Å; W2720-T2722 VanDerWaalsContact O-N 3.09Å; W2720-R2723 CarbonylContact O-C 3.56Å; W2720-R2723 PolarHBondContact O-N 3.14Å; W2720-S2724 VanDerWaalsContact CE2-CB 3.45Å; W2720-S2724 VanDerWaalsContact NE1-CB 3.32Å; W2720-S2724 VanDerWaalsContact O-CB 3.26Å; W2720-S2724 WeakPolarHBondContact O-CB 3.39Å; W2720-S2724 PolarHBondContact O-N 3.07Å; W2720-S2724 PolarHBondContact O-OG 3.28Å; W2720-E2727 HydrophobicContact CH2-CB 3.62Å; W2720-E2727 VanDerWaalsContact CH2-O 3.29Å; W2720-E2727 WeakPolarHBondContact CH2-O 3.22Å; W2720-E2727 WeakPolarHBondContact CZ2-O 3.4Å; W2720-E2727 HydrophobicContact CZ3-CB 3.75Å; W2720-E2727 PolarHBondContact NE1-OE2 3.05Å; W2720-E2727 VanDerWaalsContact NE1-OE2 3.16Å; W2720-S2728 WeakPolarHBondContact CH2-O 3.46Å; W2720-L2729 HydrophobicContact CZ2-CB 4.28Å; W2720-L2729 HydrophobicContact CZ2-CD1 3.82Å; W2720-L2729 HydrophobicContact CZ2-CG 4.21Å; W2720-L2729 VanDerWaalsContact NE1-CD1 3.31Å; W2720-L2732 HydrophobicContact CD2-CD1 3.82Å; W2720-L2732 HydrophobicContact CE3-CD1 3.67Å; W2720-L2732 HydrophobicContact CE3-CG 4.42Å; W2720-L2732 HydrophobicContact CG-CD1 4.02Å; W2720-L2732 HydrophobicContact CH2-CD1 4.37Å; W2720-L2732 HydrophobicContact CZ3-CD1 3.59Å |
| 2721 | A | 73.1 | Confident | 73.4 | Confident | 69.2 Ų | 69.2 | 108.4 Ų | 108.4 | 57% | 0.572 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.6 | -24.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N2717 R2718 L2719 S2724 | N2717-A2721 WeakPolarHBondContact O-CB 3.35Å; N2717-A2721 PolarHBondContact O-N 3.32Å; R2718-A2721 PolarHBondContact O-N 3.26Å; L2719-A2721 PolarHBondContact O-N 3.28Å; L2719-A2721 VanDerWaalsContact O-N 3.08Å; A2721-S2724 PolarHBondContact O-OG 3.02Å |
| 2722 | T | 75.2 | Confident | 72.3 | Confident | 96.4 Ų | 96.4 | 106.8 Ų | 106.8 | 59% | 0.591 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -86.5 | -35.2 | 174 | 24.3 | 0 | 0 | 0 | 0 | 112.5 | R2718 L2719 W2720 R2726 | R2718-T2722 PolarHBondContact O-N 2.77Å; R2718-T2722 PolarHBondContact O-OG1 3.11Å; R2718-T2722 VanDerWaalsContact O-OG1 3.06Å; L2719-T2722 WeakPolarHBondContact O-CA 3.21Å; L2719-T2722 WeakPolarHBondContact O-CB 3.4Å; L2719-T2722 PolarHBondContact O-N 3.06Å; L2719-T2722 VanDerWaalsContact O-N 3.08Å; L2719-T2722 PolarHBondContact O-OG1 3.17Å; W2720-T2722 VanDerWaalsContact C-N 3.29Å; W2720-T2722 PolarHBondContact O-N 3.01Å; W2720-T2722 VanDerWaalsContact O-N 3.09Å; T2722-R2726 PolarHBondContact O-NE 3.13Å; T2722-R2726 VanDerWaalsContact O-NE 3.09Å |
| 2723 | R | 70.2 | Confident | 71 | Confident | 130.6 Ų | 130.6 | 105.5 Ų | 105.5 | 49% | 0.493 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -86.4 | -29.2 | -175.9 | -104.4 | -179.2 | 178.5 | 169.1 | -1.1 | 114.4 | D2716 L2719 W2720 K2725 R2726 E2727 | D2716-R2723 IonicContact OD2-NH1 2.73Å; L2719-R2723 PolarHBondContact O-N 3.15Å; L2719-R2723 VanDerWaalsContact O-N 3.14Å; W2720-R2723 CarbonylContact O-C 3.56Å; W2720-R2723 PolarHBondContact O-N 3.14Å; R2723-K2725 VanDerWaalsContact C-N 3.3Å; R2723-K2725 PolarHBondContact O-N 3Å; R2723-R2726 WeakPolarHBondContact O-CA 3.31Å; R2723-R2726 WeakPolarHBondContact O-CB 3.16Å; R2723-R2726 VanDerWaalsContact O-CG 3.26Å; R2723-R2726 WeakPolarHBondContact O-CG 3.39Å; R2723-R2726 PolarHBondContact O-N 3.2Å; R2723-E2727 WeakPolarHBondContact CB-OE2 3.4Å; R2723-E2727 VanDerWaalsContact CD-OE1 3.31Å; R2723-E2727 WeakPolarHBondContact CD-OE1 3.17Å; R2723-E2727 HydrophobicContact CG-CG 4.22Å; R2723-E2727 WeakPolarHBondContact CG-OE1 3.32Å; R2723-E2727 IonicContact CZ-OE1 2.67Å; R2723-E2727 IonicContact NE-OE1 3.87Å; R2723-E2727 PolarHBondContact NE-OE1 3.5Å; R2723-E2727 IonicContact NH2-OE1 2.77Å; R2723-E2727 PolarHBondContact O-N 3.04Å |
| 2724 | S | 75.5 | Confident | 70 | Confident | 45.6 Ų | 45.6 | 109.2 Ų | 109.2 | 32% | 0.319 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -19.4 | -173.8 | 62.4 | 0 | 0 | 0 | 0 | 115.1 | W2720 A2721 R2726 E2727 | W2720-S2724 VanDerWaalsContact CE2-CB 3.45Å; W2720-S2724 VanDerWaalsContact NE1-CB 3.32Å; W2720-S2724 VanDerWaalsContact O-CB 3.26Å; W2720-S2724 WeakPolarHBondContact O-CB 3.39Å; W2720-S2724 PolarHBondContact O-N 3.07Å; W2720-S2724 PolarHBondContact O-OG 3.28Å; A2721-S2724 PolarHBondContact O-OG 3.02Å; S2724-R2726 PolarHBondContact O-N 3.24Å; S2724-R2726 VanDerWaalsContact O-N 3.07Å; S2724-E2727 PolarHBondContact O-N 3.44Å |
| 2725 | K | 76.5 | Confident | 69.1 | Low | 188.4 Ų | 188.4 | 113 Ų | 113 | 82% | 0.819 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -15.3 | 171 | -64.2 | -178.5 | -178.4 | 176.4 | 0 | 113.6 | R2723 | R2723-K2725 VanDerWaalsContact C-N 3.3Å; R2723-K2725 PolarHBondContact O-N 3Å |
| 2726 | R | 72.3 | Confident | 68.5 | Low | 197.8 Ų | 197.8 | 114.4 Ų | 114.4 | 75% | 0.746 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -118.4 | -9.8 | -174.8 | -55.6 | -177.4 | -179 | -173.4 | -1.6 | 113.2 | T2722 R2723 S2724 | T2722-R2726 PolarHBondContact O-NE 3.13Å; T2722-R2726 VanDerWaalsContact O-NE 3.09Å; R2723-R2726 WeakPolarHBondContact O-CA 3.31Å; R2723-R2726 WeakPolarHBondContact O-CB 3.16Å; R2723-R2726 VanDerWaalsContact O-CG 3.26Å; R2723-R2726 WeakPolarHBondContact O-CG 3.39Å; R2723-R2726 PolarHBondContact O-N 3.2Å; S2724-R2726 PolarHBondContact O-N 3.24Å; S2724-R2726 VanDerWaalsContact O-N 3.07Å |
| 2727 | E | 71.8 | Confident | 68 | Low | 87 Ų | 87 | 115.5 Ų | 115.5 | 41% | 0.407 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -116.5 | 141.9 | -171.9 | -70.4 | 169.2 | -175.7 | 0 | 0 | 110.9 | W2720 R2723 S2724 L2729 | W2720-E2727 HydrophobicContact CH2-CB 3.62Å; W2720-E2727 VanDerWaalsContact CH2-O 3.29Å; W2720-E2727 WeakPolarHBondContact CH2-O 3.22Å; W2720-E2727 WeakPolarHBondContact CZ2-O 3.4Å; W2720-E2727 HydrophobicContact CZ3-CB 3.75Å; W2720-E2727 PolarHBondContact NE1-OE2 3.05Å; W2720-E2727 VanDerWaalsContact NE1-OE2 3.16Å; R2723-E2727 WeakPolarHBondContact CB-OE2 3.4Å; R2723-E2727 VanDerWaalsContact CD-OE1 3.31Å; R2723-E2727 WeakPolarHBondContact CD-OE1 3.17Å; R2723-E2727 HydrophobicContact CG-CG 4.22Å; R2723-E2727 WeakPolarHBondContact CG-OE1 3.32Å; R2723-E2727 IonicContact CZ-OE1 2.67Å; R2723-E2727 IonicContact NE-OE1 3.87Å; R2723-E2727 PolarHBondContact NE-OE1 3.5Å; R2723-E2727 IonicContact NH2-OE1 2.77Å; R2723-E2727 PolarHBondContact O-N 3.04Å; S2724-E2727 PolarHBondContact O-N 3.44Å; E2727-L2729 PolarHBondContact O-N 2.92Å |
| 2728 | S | 68 | Low | 68.3 | Low | 73.4 Ų | 73.4 | 112.1 Ų | 112.1 | 51% | 0.513 | 56% | 0.564 | S | S | . | * | trans | -84.1 | 132 | -179 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | W2720 K2730 E2731 | W2720-S2728 WeakPolarHBondContact CH2-O 3.46Å; S2728-K2730 VanDerWaalsContact C-N 3.29Å; S2728-K2730 PolarHBondContact O-N 3.07Å; S2728-K2730 VanDerWaalsContact O-N 3.16Å; S2728-E2731 WeakPolarHBondContact CB-OE1 3.28Å; S2728-E2731 WeakPolarHBondContact CB-OE2 3.24Å; S2728-E2731 PolarHBondContact O-N 3.12Å; S2728-E2731 VanDerWaalsContact OG-CD 3.26Å; S2728-E2731 PolarHBondContact OG-OE1 3.43Å | ||
| 2729 | L | 67.3 | Low | 68.9 | Low | 141.8 Ų | 141.8 | 106.6 Ų | 106.6 | 74% | 0.742 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -62.8 | -12 | -175.1 | -155.1 | 81.5 | 0 | 0 | 0 | 114.6 | W2720 E2727 E2731 L2732 | W2720-L2729 HydrophobicContact CZ2-CB 4.28Å; W2720-L2729 HydrophobicContact CZ2-CD1 3.82Å; W2720-L2729 HydrophobicContact CZ2-CG 4.21Å; W2720-L2729 VanDerWaalsContact NE1-CD1 3.31Å; E2727-L2729 PolarHBondContact O-N 2.92Å; L2729-E2731 VanDerWaalsContact C-N 3.26Å; L2729-E2731 PolarHBondContact O-N 3.13Å; L2729-L2732 HydrophobicContact CD1-CD1 3.84Å; L2729-L2732 HydrophobicContact CG-CD1 4.34Å |
| 2730 | K | 66.9 | Low | 69.6 | Low | 185.6 Ų | 185.6 | 102.3 Ų | 102.3 | 81% | 0.807 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -80.6 | -18.6 | -174.7 | -119.5 | -176.5 | -179.1 | -175.5 | 0 | 113.9 | S2728 L2732 L3544 | S2728-K2730 VanDerWaalsContact C-N 3.29Å; S2728-K2730 PolarHBondContact O-N 3.07Å; S2728-K2730 VanDerWaalsContact O-N 3.16Å; K2730-L2732 PolarHBondContact O-N 3.32Å; K2730-L3544 HydrophobicContact CD-CD2 3.61Å; K2730-L3544 VanDerWaalsContact CE-CD2 3.5Å; K2730-L3544 HydrophobicContact CG-CD2 4.23Å |
| 2731 | E | 62.4 | Low | 70.5 | Confident | 133.6 Ų | 133.6 | 99.7 Ų | 99.7 | 62% | 0.624 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -95.4 | 28.1 | -176 | -69.5 | 166.6 | -163.3 | 0 | 0 | 112.7 | S2728 L2729 T2733 | S2728-E2731 WeakPolarHBondContact CB-OE1 3.28Å; S2728-E2731 WeakPolarHBondContact CB-OE2 3.24Å; S2728-E2731 PolarHBondContact O-N 3.12Å; S2728-E2731 VanDerWaalsContact OG-CD 3.26Å; S2728-E2731 PolarHBondContact OG-OE1 3.43Å; L2729-E2731 VanDerWaalsContact C-N 3.26Å; L2729-E2731 PolarHBondContact O-N 3.13Å; E2731-T2733 HydrophobicContact CB-CG2 4.34Å; E2731-T2733 PolarHBondContact O-N 3.26Å; E2731-T2733 PolarHBondContact O-OG1 3.32Å |
| 2732 | L | 59.8 | Low | 71.4 | Confident | 114.2 Ų | 114.2 | 98.2 Ų | 98.2 | 60% | 0.598 | 51% | 0.506 | S | S | * | . | trans | -73.6 | 83.4 | 171.5 | -76 | 167.2 | 0 | 0 | 0 | 110.1 | W2720 L2729 K2730 D2734 | W2720-L2732 HydrophobicContact CD2-CD1 3.82Å; W2720-L2732 HydrophobicContact CE3-CD1 3.67Å; W2720-L2732 HydrophobicContact CE3-CG 4.42Å; W2720-L2732 HydrophobicContact CG-CD1 4.02Å; W2720-L2732 HydrophobicContact CH2-CD1 4.37Å; W2720-L2732 HydrophobicContact CZ3-CD1 3.59Å; L2729-L2732 HydrophobicContact CD1-CD1 3.84Å; L2729-L2732 HydrophobicContact CG-CD1 4.34Å; K2730-L2732 PolarHBondContact O-N 3.32Å; L2732-D2734 VanDerWaalsContact C-N 3.28Å; L2732-D2734 PolarHBondContact O-N 3.08Å | ||
| 2733 | T | 55.6 | Low | 72.2 | Confident | 87.2 Ų | 87.2 | 93.8 Ų | 93.8 | 54% | 0.535 | 48% | 0.479 | S | S | . | . | trans | -74.5 | 75.3 | -171.1 | 40.8 | 0 | 0 | 0 | 0 | 113.2 | E2731 E2735 T2737 | E2731-T2733 HydrophobicContact CB-CG2 4.34Å; E2731-T2733 PolarHBondContact O-N 3.26Å; E2731-T2733 PolarHBondContact O-OG1 3.32Å; T2733-E2735 PolarHBondContact O-N 3.29Å; T2733-T2737 WeakPolarHBondContact O-CB 3.44Å; T2733-T2737 VanDerWaalsContact O-CG2 3.29Å; T2733-T2737 WeakPolarHBondContact O-CG2 3.26Å; T2733-T2737 PolarHBondContact O-OG1 3.19Å | ||
| 2734 | D | 57.8 | Low | 73.4 | Confident | 121 Ų | 121 | 87.8 Ų | 87.8 | 65% | 0.647 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -24.2 | -176.4 | -112.4 | -11.5 | 0 | 0 | 0 | 113.7 | L2732 V2736 T2737 G2738 | L2732-D2734 VanDerWaalsContact C-N 3.28Å; L2732-D2734 PolarHBondContact O-N 3.08Å; D2734-V2736 VanDerWaalsContact C-N 3.28Å; D2734-V2736 PolarHBondContact O-N 2.8Å; D2734-V2736 VanDerWaalsContact O-N 3.16Å; D2734-T2737 WeakPolarHBondContact CA-OG1 3.33Å; D2734-T2737 CarbonylContact O-C 3.57Å; D2734-T2737 WeakPolarHBondContact O-CA 3.33Å; D2734-T2737 PolarHBondContact O-N 3.1Å; D2734-T2737 PolarHBondContact O-OG1 3.01Å; D2734-T2737 PolarHBondContact OD1-OG1 3.16Å; D2734-G2738 WeakPolarHBondContact O-CA 3.38Å; D2734-G2738 PolarHBondContact O-N 3.28Å |
| 2735 | E | 57 | Low | 74.2 | Confident | 137 Ų | 137 | 91 Ų | 91 | 64% | 0.64 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -58.1 | -44.6 | -176.1 | -63.6 | -174.8 | 172.6 | 0 | 0 | 113 | T2733 T2737 G2738 H2739 | T2733-E2735 PolarHBondContact O-N 3.29Å; E2735-T2737 VanDerWaalsContact C-N 3.27Å; E2735-T2737 PolarHBondContact O-N 2.95Å; E2735-G2738 PolarHBondContact O-N 2.94Å; E2735-H2739 PolarHBondContact O-CE1 3.24Å; E2735-H2739 PolarHBondContact O-N 2.98Å; E2735-H2739 VanDerWaalsContact O-N 3.11Å; E2735-H2739 PolarHBondContact O-ND1 3.32Å; E2735-H2739 VanDerWaalsContact O-ND1 3.14Å |
| 2736 | V | 59.9 | Low | 75 | Confident | 74 Ų | 74 | 83.7 Ų | 83.7 | 45% | 0.448 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -72.5 | -31 | -174.7 | -174.7 | 0 | 0 | 0 | 0 | 112 | D2734 S2740 | D2734-V2736 VanDerWaalsContact C-N 3.28Å; D2734-V2736 PolarHBondContact O-N 2.8Å; D2734-V2736 VanDerWaalsContact O-N 3.16Å; V2736-S2740 PolarHBondContact O-OG 3.4Å |
| 2737 | T | 65.9 | Low | 76.1 | Confident | 83.8 Ų | 83.8 | 74.4 Ų | 74.4 | 51% | 0.514 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -81.2 | -35.3 | 176.6 | 46.8 | 0 | 0 | 0 | 0 | 112.3 | T2733 D2734 E2735 H2739 S2740 S2741 | T2733-T2737 WeakPolarHBondContact O-CB 3.44Å; T2733-T2737 VanDerWaalsContact O-CG2 3.29Å; T2733-T2737 WeakPolarHBondContact O-CG2 3.26Å; T2733-T2737 PolarHBondContact O-OG1 3.19Å; D2734-T2737 WeakPolarHBondContact CA-OG1 3.33Å; D2734-T2737 CarbonylContact O-C 3.57Å; D2734-T2737 WeakPolarHBondContact O-CA 3.33Å; D2734-T2737 PolarHBondContact O-N 3.1Å; D2734-T2737 PolarHBondContact O-OG1 3.01Å; D2734-T2737 PolarHBondContact OD1-OG1 3.16Å; E2735-T2737 VanDerWaalsContact C-N 3.27Å; E2735-T2737 PolarHBondContact O-N 2.95Å; T2737-H2739 PolarHBondContact O-N 3.08Å; T2737-S2740 PolarHBondContact O-N 2.77Å; T2737-S2740 VanDerWaalsContact O-N 3.15Å; T2737-S2741 WeakPolarHBondContact O-CB 3.21Å; T2737-S2741 PolarHBondContact O-N 3.05Å |
| 2738 | G | 80.3 | Confident | 77.3 | Confident | 33.8 Ų | 33.8 | 70.4 Ų | 70.4 | 35% | 0.348 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.2 | -43.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D2734 E2735 S2740 S2741 A2742 | D2734-G2738 WeakPolarHBondContact O-CA 3.38Å; D2734-G2738 PolarHBondContact O-N 3.28Å; E2735-G2738 PolarHBondContact O-N 2.94Å; G2738-S2740 VanDerWaalsContact C-N 3.33Å; G2738-S2740 PolarHBondContact O-N 3.2Å; G2738-S2740 VanDerWaalsContact O-N 3.12Å; G2738-S2741 WeakPolarHBondContact O-CA 3.37Å; G2738-S2741 WeakPolarHBondContact O-CB 3.19Å; G2738-S2741 PolarHBondContact O-N 2.95Å; G2738-A2742 WeakPolarHBondContact O-CB 3.29Å; G2738-A2742 PolarHBondContact O-N 3.25Å |
| 2739 | H | 85.3 | Confident | 78.5 | Confident | 57.6 Ų | 57.6 | 70.4 Ų | 70.4 | 27% | 0.267 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.1 | -40.9 | -180 | -68.8 | 97.6 | 0 | 0 | 0 | 112.8 | D2657 Q2658 E2735 T2737 S2741 A2742 V2743 | D2657-H2739 IonicContact OD1-CD2 2.86Å; D2657-H2739 VanDerWaalsContact OD2-CB 3.3Å; D2657-H2739 WeakPolarHBondContact OD2-CB 3.3Å; D2657-H2739 IonicContact OD2-CG 3.93Å; D2657-H2739 IonicContact OD2-ND1 3.65Å; Q2658-H2739 VanDerWaalsContact CG-CD2 3.49Å; Q2658-H2739 WeakPolarHBondContact CG-CD2 3.44Å; Q2658-H2739 VanDerWaalsContact CG-NE2 3.33Å; Q2658-H2739 WeakPolarHBondContact CG-NE2 3.13Å; Q2658-H2739 PolarHBondContact NE2-NE2 2.96Å; E2735-H2739 PolarHBondContact O-CE1 3.24Å; E2735-H2739 PolarHBondContact O-N 2.98Å; E2735-H2739 VanDerWaalsContact O-N 3.11Å; E2735-H2739 PolarHBondContact O-ND1 3.32Å; E2735-H2739 VanDerWaalsContact O-ND1 3.14Å; T2737-H2739 PolarHBondContact O-N 3.08Å; H2739-S2741 VanDerWaalsContact C-N 3.31Å; H2739-S2741 PolarHBondContact O-N 3.18Å; H2739-A2742 PolarHBondContact O-N 3.15Å; H2739-V2743 VanDerWaalsContact O-CG2 3.32Å; H2739-V2743 WeakPolarHBondContact O-CG2 3.45Å; H2739-V2743 PolarHBondContact O-N 3.04Å; H2739-V2743 VanDerWaalsContact O-N 3.09Å |
| 2740 | S | 88.7 | Confident | 79.8 | Confident | 8.6 Ų | 8.6 | 64.7 Ų | 64.7 | 6% | 0.06 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.6 | -36.6 | 178.2 | -58.9 | 0 | 0 | 0 | 0 | 112 | Y2705 V2736 T2737 G2738 A2744 | Y2705-S2740 WeakPolarHBondContact OH-CA 3.22Å; Y2705-S2740 PolarHBondContact OH-OG 3.14Å; V2736-S2740 PolarHBondContact O-OG 3.4Å; T2737-S2740 PolarHBondContact O-N 2.77Å; T2737-S2740 VanDerWaalsContact O-N 3.15Å; G2738-S2740 VanDerWaalsContact C-N 3.33Å; G2738-S2740 PolarHBondContact O-N 3.2Å; G2738-S2740 VanDerWaalsContact O-N 3.12Å; S2740-A2744 WeakPolarHBondContact O-CB 3.18Å; S2740-A2744 PolarHBondContact O-N 3.17Å |
| 2741 | S | 90.7 | Very high | 81.2 | Confident | 26.2 Ų | 26.2 | 55.9 Ų | 55.9 | 18% | 0.183 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.6 | -43.8 | 172.8 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | T2737 G2738 H2739 V2743 A2744 Q2745 L2779 | T2737-S2741 WeakPolarHBondContact O-CB 3.21Å; T2737-S2741 PolarHBondContact O-N 3.05Å; G2738-S2741 WeakPolarHBondContact O-CA 3.37Å; G2738-S2741 WeakPolarHBondContact O-CB 3.19Å; G2738-S2741 PolarHBondContact O-N 2.95Å; H2739-S2741 VanDerWaalsContact C-N 3.31Å; H2739-S2741 PolarHBondContact O-N 3.18Å; S2741-V2743 PolarHBondContact O-N 3.16Å; S2741-A2744 WeakPolarHBondContact O-CB 3.43Å; S2741-A2744 PolarHBondContact O-N 3.28Å; S2741-A2744 VanDerWaalsContact O-N 3.16Å; S2741-Q2745 WeakPolarHBondContact O-CB 3.43Å; S2741-Q2745 VanDerWaalsContact O-CG 3.27Å; S2741-Q2745 WeakPolarHBondContact O-CG 3.3Å; S2741-Q2745 PolarHBondContact O-N 3.1Å; S2741-Q2745 PolarHBondContact OG-NE2 3.12Å; S2741-L2779 PolarHBondContact OG-O 3.24Å |
| 2742 | A | 92.1 | Very high | 82.7 | Confident | 39.2 Ų | 39.2 | 50.6 Ų | 50.6 | 32% | 0.324 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59 | -47.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G2738 H2739 A2744 Q2745 T2746 | G2738-A2742 WeakPolarHBondContact O-CB 3.29Å; G2738-A2742 PolarHBondContact O-N 3.25Å; H2739-A2742 PolarHBondContact O-N 3.15Å; A2742-A2744 VanDerWaalsContact C-N 3.33Å; A2742-A2744 PolarHBondContact O-N 2.99Å; A2742-Q2745 PolarHBondContact O-N 3.14Å; A2742-Q2745 VanDerWaalsContact O-N 3.16Å; A2742-T2746 WeakPolarHBondContact O-CB 3.45Å; A2742-T2746 PolarHBondContact O-N 3.25Å; A2742-T2746 PolarHBondContact O-OG1 3.23Å; A2742-T2746 VanDerWaalsContact O-OG1 3.11Å |
| 2743 | V | 93.3 | Very high | 84.2 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 175.1 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | F2660 L2702 Y2705 H2739 S2741 Q2745 T2746 Y2747 | F2660-V2743 HydrophobicContact CB-CB 4.47Å; F2660-V2743 HydrophobicContact CB-CG1 4.19Å; F2660-V2743 HydrophobicContact CB-CG2 3.59Å; F2660-V2743 HydrophobicContact CD1-CG1 4.47Å; F2660-V2743 HydrophobicContact CD2-CG1 4.34Å; F2660-V2743 HydrophobicContact CD2-CG2 4.13Å; F2660-V2743 HydrophobicContact CG-CG1 4.16Å; F2660-V2743 HydrophobicContact CG-CG2 4.13Å; L2702-V2743 HydrophobicContact CD2-CG1 3.87Å; Y2705-V2743 HydrophobicContact CD1-CG1 4.19Å; Y2705-V2743 HydrophobicContact CE1-CB 4.01Å; Y2705-V2743 HydrophobicContact CE1-CG1 3.94Å; Y2705-V2743 HydrophobicContact CE1-CG2 4.09Å; H2739-V2743 VanDerWaalsContact O-CG2 3.32Å; H2739-V2743 WeakPolarHBondContact O-CG2 3.45Å; H2739-V2743 PolarHBondContact O-N 3.04Å; H2739-V2743 VanDerWaalsContact O-N 3.09Å; S2741-V2743 PolarHBondContact O-N 3.16Å; V2743-Q2745 VanDerWaalsContact C-N 3.34Å; V2743-Q2745 PolarHBondContact O-N 3.19Å; V2743-T2746 PolarHBondContact O-N 3.14Å; V2743-Y2747 HydrophobicContact CG1-CD2 3.99Å; V2743-Y2747 HydrophobicContact CG1-CE2 4.33Å; V2743-Y2747 VanDerWaalsContact O-CD2 3.31Å; V2743-Y2747 WeakPolarHBondContact O-CD2 3.35Å; V2743-Y2747 PolarHBondContact O-N 3.12Å; V2743-Y2747 VanDerWaalsContact O-N 3.12Å |
| 2744 | A | 93.5 | Very high | 85.9 | Confident | 4.4 Ų | 4.4 | 48.7 Ų | 48.7 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60 | -44.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S2740 S2741 A2742 T2746 L2748 I2774 L2779 I2780 | S2740-A2744 WeakPolarHBondContact O-CB 3.18Å; S2740-A2744 PolarHBondContact O-N 3.17Å; S2741-A2744 WeakPolarHBondContact O-CB 3.43Å; S2741-A2744 PolarHBondContact O-N 3.28Å; S2741-A2744 VanDerWaalsContact O-N 3.16Å; A2742-A2744 VanDerWaalsContact C-N 3.33Å; A2742-A2744 PolarHBondContact O-N 2.99Å; A2744-T2746 VanDerWaalsContact C-N 3.33Å; A2744-T2746 PolarHBondContact O-N 3.08Å; A2744-L2748 WeakPolarHBondContact O-CA 3.17Å; A2744-L2748 WeakPolarHBondContact O-CB 3.26Å; A2744-L2748 PolarHBondContact O-N 3.04Å; A2744-I2774 HydrophobicContact CB-CD1 4.08Å; A2744-I2774 HydrophobicContact CB-CG1 4.18Å; A2744-L2779 HydrophobicContact CB-CB 4.2Å; A2744-L2779 HydrophobicContact CB-CD1 4.05Å; A2744-I2780 VanDerWaalsContact C-CD1 3.48Å; A2744-I2780 HydrophobicContact CB-CD1 3.81Å; A2744-I2780 HydrophobicContact CB-CG1 4.27Å; A2744-I2780 WeakPolarHBondContact O-CD1 3.32Å |
| 2745 | Q | 93.3 | Very high | 87.6 | Confident | 113.8 Ų | 113.8 | 43 Ų | 43 | 53% | 0.532 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.2 | -34.6 | -178.4 | -72 | 176.7 | 37.1 | 0 | 0 | 112.3 | S2741 A2742 V2743 P2749 I2780 | S2741-Q2745 WeakPolarHBondContact O-CB 3.43Å; S2741-Q2745 VanDerWaalsContact O-CG 3.27Å; S2741-Q2745 WeakPolarHBondContact O-CG 3.3Å; S2741-Q2745 PolarHBondContact O-N 3.1Å; S2741-Q2745 PolarHBondContact OG-NE2 3.12Å; A2742-Q2745 PolarHBondContact O-N 3.14Å; A2742-Q2745 VanDerWaalsContact O-N 3.16Å; V2743-Q2745 VanDerWaalsContact C-N 3.34Å; V2743-Q2745 PolarHBondContact O-N 3.19Å; Q2745-P2749 WeakPolarHBondContact O-CD 3.24Å; Q2745-P2749 WeakPolarHBondContact O-CG 3.37Å; Q2745-I2780 HydrophobicContact CB-CD1 4.49Å; Q2745-I2780 HydrophobicContact CG-CD1 4.04Å; Q2745-I2780 HydrophobicContact CG-CG1 4.01Å |
| 2746 | T | 93.5 | Very high | 89.3 | Confident | 34.4 Ų | 34.4 | 36.4 Ų | 36.4 | 21% | 0.211 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.3 | -49.8 | 176.3 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | C2661 Q2666 A2742 V2743 A2744 I2750 | C2661-T2746 PolarHBondContact SG-OG1 3.35Å; Q2666-T2746 VanDerWaalsContact CD-CG2 3.5Å; Q2666-T2746 HydrophobicContact CG-CG2 3.81Å; A2742-T2746 WeakPolarHBondContact O-CB 3.45Å; A2742-T2746 PolarHBondContact O-N 3.25Å; A2742-T2746 PolarHBondContact O-OG1 3.23Å; A2742-T2746 VanDerWaalsContact O-OG1 3.11Å; V2743-T2746 PolarHBondContact O-N 3.14Å; A2744-T2746 VanDerWaalsContact C-N 3.33Å; A2744-T2746 PolarHBondContact O-N 3.08Å; T2746-I2750 WeakPolarHBondContact O-CD1 3.39Å |
| 2747 | Y | 95.7 | Very high | 90.8 | Very high | 2.2 Ų | 2.2 | 34.8 Ų | 34.8 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -90.5 | -28.5 | -171.2 | -70.6 | -78.1 | 0 | 0 | 0 | 114.4 | F2660 Q2666 L2669 L2673 L2702 V2743 I2750 V2751 | F2660-Y2747 HydrophobicContact CB-CE2 4.2Å; F2660-Y2747 HydrophobicContact CD1-CE2 4.2Å; F2660-Y2747 VanDerWaalsContact O-CE2 3.29Å; F2660-Y2747 WeakPolarHBondContact O-CE2 3.37Å; F2660-Y2747 PolarHBondContact O-OH 3.04Å; Q2666-Y2747 WeakPolarHBondContact CA-OH 3.38Å; L2669-Y2747 HydrophobicContact CB-CE1 3.97Å; L2669-Y2747 HydrophobicContact CD1-CE1 4.24Å; L2673-Y2747 HydrophobicContact CD1-CD1 4.23Å; L2702-Y2747 HydrophobicContact CD1-CD1 4.21Å; L2702-Y2747 HydrophobicContact CD1-CD2 4.44Å; L2702-Y2747 HydrophobicContact CD1-CG 3.91Å; L2702-Y2747 HydrophobicContact CD2-CD2 3.86Å; L2702-Y2747 HydrophobicContact CD2-CE2 4.28Å; L2702-Y2747 HydrophobicContact CD2-CG 4.17Å; V2743-Y2747 HydrophobicContact CG1-CD2 3.99Å; V2743-Y2747 HydrophobicContact CG1-CE2 4.33Å; V2743-Y2747 VanDerWaalsContact O-CD2 3.31Å; V2743-Y2747 WeakPolarHBondContact O-CD2 3.35Å; V2743-Y2747 PolarHBondContact O-N 3.12Å; V2743-Y2747 VanDerWaalsContact O-N 3.12Å; Y2747-I2750 HydrophobicContact CD1-CD1 4.41Å; Y2747-I2750 WeakPolarHBondContact O-CB 3.38Å; Y2747-I2750 PolarHBondContact O-N 2.89Å; Y2747-I2750 VanDerWaalsContact O-N 3.13Å; Y2747-V2751 VanDerWaalsContact O-CG2 3.32Å; Y2747-V2751 WeakPolarHBondContact O-CG2 3.31Å; Y2747-V2751 PolarHBondContact O-N 3.33Å |
| 2748 | L | 95.5 | Very high | 91.9 | Very high | 4.2 Ų | 4.2 | 31.1 Ų | 31.1 | 2% | 0.022 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.7 | -45 | -176.5 | -176.9 | 67.7 | 0 | 0 | 0 | 113.2 | A2744 I2750 V2751 L2752 I2771 I2774 I2780 V2785 | A2744-L2748 WeakPolarHBondContact O-CA 3.17Å; A2744-L2748 WeakPolarHBondContact O-CB 3.26Å; A2744-L2748 PolarHBondContact O-N 3.04Å; L2748-I2750 VanDerWaalsContact C-N 3.28Å; L2748-I2750 PolarHBondContact O-N 3.09Å; L2748-V2751 PolarHBondContact O-N 2.92Å; L2748-V2751 VanDerWaalsContact O-N 3.16Å; L2748-L2752 HydrophobicContact CB-CD1 4.37Å; L2748-L2752 HydrophobicContact CD1-CD1 4.01Å; L2748-L2752 HydrophobicContact CD1-CD2 4.11Å; L2748-L2752 HydrophobicContact CD1-CG 3.8Å; L2748-L2752 HydrophobicContact CD2-CD1 4.25Å; L2748-L2752 HydrophobicContact CG-CD1 3.79Å; L2748-L2752 HydrophobicContact CG-CG 4.04Å; L2748-L2752 WeakPolarHBondContact O-CA 3.06Å; L2748-L2752 WeakPolarHBondContact O-CB 3.22Å; L2748-L2752 VanDerWaalsContact O-CD1 3.26Å; L2748-L2752 WeakPolarHBondContact O-CD1 2.77Å; L2748-L2752 VanDerWaalsContact O-CG 3.29Å; L2748-L2752 WeakPolarHBondContact O-CG 3.36Å; L2748-L2752 PolarHBondContact O-N 3.25Å; L2748-I2771 HydrophobicContact CD1-CG1 4.04Å; L2748-I2774 HydrophobicContact CB-CD1 4.35Å; L2748-I2774 HydrophobicContact CD1-CD1 4.08Å; L2748-I2774 HydrophobicContact CD2-CD1 4.49Å; L2748-I2774 HydrophobicContact CD2-CG2 4.49Å; L2748-I2780 HydrophobicContact CB-CD1 3.89Å; L2748-I2780 HydrophobicContact CD2-CB 4.34Å; L2748-I2780 HydrophobicContact CD2-CD1 3.48Å; L2748-I2780 VanDerWaalsContact CD2-CD1 3.42Å; L2748-I2780 HydrophobicContact CD2-CG1 4.44Å; L2748-I2780 HydrophobicContact CD2-CG2 4.01Å; L2748-I2780 HydrophobicContact CG-CD1 4.32Å; L2748-V2785 HydrophobicContact CD1-CG1 4.05Å; L2748-V2785 HydrophobicContact CD1-CG2 4.37Å; L2748-V2785 HydrophobicContact CD2-CG1 3.76Å; L2748-V2785 HydrophobicContact CD2-CG2 3.76Å; L2748-V2785 HydrophobicContact CG-CG1 4.39Å |
| 2749 | P | 94.9 | Very high | 92.2 | Very high | 73 Ų | 73 | 31.7 Ų | 31.7 | 47% | 0.474 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -59 | -38.2 | 178.2 | -25.4 | 35.9 | 0 | 0 | 0 | 113.3 | Q2745 L2752 K2753 | Q2745-P2749 WeakPolarHBondContact O-CD 3.24Å; Q2745-P2749 WeakPolarHBondContact O-CG 3.37Å; P2749-L2752 WeakPolarHBondContact O-CB 3.44Å; P2749-L2752 PolarHBondContact O-N 2.95Å; P2749-K2753 WeakPolarHBondContact O-CB 3.3Å; P2749-K2753 PolarHBondContact O-N 3.23Å; P2749-K2753 VanDerWaalsContact O-N 3.13Å |
| 2750 | I | 93.9 | Very high | 92.3 | Very high | 22 Ų | 22 | 29.9 Ų | 29.9 | 11% | 0.113 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.9 | -47.5 | 177.9 | -60.4 | 160.2 | 0 | 0 | 0 | 109.8 | T2670 L2673 T2746 Y2747 L2748 L2752 K2753 Y2754 | T2670-I2750 HydrophobicContact CG2-CD1 3.95Å; T2670-I2750 HydrophobicContact CG2-CG1 4.29Å; T2670-I2750 HydrophobicContact CG2-CG2 4.12Å; T2670-I2750 VanDerWaalsContact OG1-CD1 3.25Å; T2670-I2750 WeakPolarHBondContact OG1-CD1 3.37Å; L2673-I2750 HydrophobicContact CB-CG2 3.85Å; L2673-I2750 HydrophobicContact CD1-CG2 4.08Å; T2746-I2750 WeakPolarHBondContact O-CD1 3.39Å; Y2747-I2750 HydrophobicContact CD1-CD1 4.41Å; Y2747-I2750 WeakPolarHBondContact O-CB 3.38Å; Y2747-I2750 PolarHBondContact O-N 2.89Å; Y2747-I2750 VanDerWaalsContact O-N 3.13Å; L2748-I2750 VanDerWaalsContact C-N 3.28Å; L2748-I2750 PolarHBondContact O-N 3.09Å; I2750-L2752 VanDerWaalsContact C-N 3.31Å; I2750-L2752 PolarHBondContact O-N 3.07Å; I2750-K2753 PolarHBondContact O-N 3.03Å; I2750-Y2754 HydrophobicContact CG2-CD2 3.89Å; I2750-Y2754 HydrophobicContact CG2-CE2 4.25Å; I2750-Y2754 VanDerWaalsContact O-CD2 3.28Å; I2750-Y2754 WeakPolarHBondContact O-CD2 3.33Å; I2750-Y2754 PolarHBondContact O-N 3.23Å |
| 2751 | V | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.3 | -43.8 | 177.8 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | L2673 L2699 Y2747 L2748 K2753 Y2754 C2755 I2756 A2767 L2770 | L2673-V2751 HydrophobicContact CD1-CG2 4.32Å; L2699-V2751 HydrophobicContact CD2-CB 4.33Å; L2699-V2751 HydrophobicContact CD2-CG1 3.8Å; L2699-V2751 HydrophobicContact CD2-CG2 3.52Å; L2699-V2751 VanDerWaalsContact CD2-CG2 3.48Å; Y2747-V2751 VanDerWaalsContact O-CG2 3.32Å; Y2747-V2751 WeakPolarHBondContact O-CG2 3.31Å; Y2747-V2751 PolarHBondContact O-N 3.33Å; L2748-V2751 PolarHBondContact O-N 2.92Å; L2748-V2751 VanDerWaalsContact O-N 3.16Å; V2751-K2753 VanDerWaalsContact C-N 3.26Å; V2751-K2753 PolarHBondContact O-N 3.41Å; V2751-Y2754 PolarHBondContact O-N 3.31Å; V2751-C2755 HydrophobicContact CG1-CB 3.99Å; V2751-C2755 WeakPolarHBondContact O-CA 3.37Å; V2751-C2755 VanDerWaalsContact O-CB 3.29Å; V2751-C2755 WeakPolarHBondContact O-CB 3.38Å; V2751-C2755 PolarHBondContact O-N 3.27Å; V2751-I2756 WeakPolarHBondContact O-CD1 3Å; V2751-I2756 VanDerWaalsContact O-CG1 3.28Å; V2751-I2756 WeakPolarHBondContact O-CG1 3.11Å; V2751-A2767 HydrophobicContact CG1-CB 3.79Å; V2751-A2767 VanDerWaalsContact CG1-CB 3.42Å; V2751-L2770 HydrophobicContact CG1-CD2 4.44Å; V2751-L2770 HydrophobicContact CG2-CD2 4.09Å |
| 2752 | L | 94.9 | Very high | 92.6 | Very high | 22.6 Ų | 22.6 | 33.5 Ų | 33.5 | 12% | 0.118 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.5 | -41 | 176.2 | -70.5 | 169.1 | 0 | 0 | 0 | 111.3 | L2748 P2749 I2750 I2756 I2771 H2784 V2785 S2788 | L2748-L2752 HydrophobicContact CB-CD1 4.37Å; L2748-L2752 HydrophobicContact CD1-CD1 4.01Å; L2748-L2752 HydrophobicContact CD1-CD2 4.11Å; L2748-L2752 HydrophobicContact CD1-CG 3.8Å; L2748-L2752 HydrophobicContact CD2-CD1 4.25Å; L2748-L2752 HydrophobicContact CG-CD1 3.79Å; L2748-L2752 HydrophobicContact CG-CG 4.04Å; L2748-L2752 WeakPolarHBondContact O-CA 3.06Å; L2748-L2752 WeakPolarHBondContact O-CB 3.22Å; L2748-L2752 VanDerWaalsContact O-CD1 3.26Å; L2748-L2752 WeakPolarHBondContact O-CD1 2.77Å; L2748-L2752 VanDerWaalsContact O-CG 3.29Å; L2748-L2752 WeakPolarHBondContact O-CG 3.36Å; L2748-L2752 PolarHBondContact O-N 3.25Å; P2749-L2752 WeakPolarHBondContact O-CB 3.44Å; P2749-L2752 PolarHBondContact O-N 2.95Å; I2750-L2752 VanDerWaalsContact C-N 3.31Å; I2750-L2752 PolarHBondContact O-N 3.07Å; L2752-I2756 HydrophobicContact CD2-CG1 4.4Å; L2752-I2756 WeakPolarHBondContact O-CG1 3.44Å; L2752-I2771 HydrophobicContact CD2-CD1 3.78Å; L2752-I2771 HydrophobicContact CD2-CG1 4.42Å; L2752-H2784 WeakPolarHBondContact CD1-O 3.27Å; L2752-H2784 VanDerWaalsContact CD2-O 3.23Å; L2752-H2784 WeakPolarHBondContact CD2-O 2.87Å; L2752-V2785 HydrophobicContact CD1-CG1 4.18Å; L2752-V2785 HydrophobicContact CD2-CB 4.4Å; L2752-V2785 HydrophobicContact CD2-CG1 4.12Å; L2752-S2788 VanDerWaalsContact CD2-OG 3.31Å; L2752-S2788 WeakPolarHBondContact CD2-OG 3.34Å |
| 2753 | K | 91.4 | Very high | 92.7 | Very high | 103.8 Ų | 103.8 | 31.6 Ų | 31.6 | 45% | 0.451 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -73.3 | -42.9 | -178 | -171.1 | 172 | 176.8 | -172.9 | 0 | 113.7 | P2749 I2750 V2751 E3357 L3359 D3360 | P2749-K2753 WeakPolarHBondContact O-CB 3.3Å; P2749-K2753 PolarHBondContact O-N 3.23Å; P2749-K2753 VanDerWaalsContact O-N 3.13Å; I2750-K2753 PolarHBondContact O-N 3.03Å; V2751-K2753 VanDerWaalsContact C-N 3.26Å; V2751-K2753 PolarHBondContact O-N 3.41Å; K2753-E3357 IonicContact NZ-OE1 3.52Å; K2753-E3357 PolarHBondContact NZ-OE1 2.9Å; K2753-L3359 PolarHBondContact NZ-O 2.93Å; K2753-D3360 IonicContact NZ-OD1 3.78Å; K2753-D3360 PolarHBondContact NZ-OD1 3.3Å; K2753-D3360 IonicContact NZ-OD2 2.77Å; K2753-D3360 PolarHBondContact NZ-OD2 2.7Å |
| 2754 | Y | 91.2 | Very high | 92.8 | Very high | 58.8 Ų | 58.8 | 31.5 Ų | 31.5 | 23% | 0.231 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -113.1 | -29 | -165.6 | -59.3 | -68 | 0 | 0 | 0 | 115.9 | L2673 S2674 V2676 Q2677 I2750 V2751 I2756 T2758 | L2673-Y2754 VanDerWaalsContact O-CB 3.27Å; L2673-Y2754 WeakPolarHBondContact O-CB 3.41Å; S2674-Y2754 VanDerWaalsContact CB-CE2 3.49Å; S2674-Y2754 WeakPolarHBondContact OG-CD2 3.41Å; S2674-Y2754 WeakPolarHBondContact OG-CE2 3.41Å; V2676-Y2754 HydrophobicContact CG2-CD1 3.81Å; V2676-Y2754 HydrophobicContact CG2-CE1 4.22Å; V2676-Y2754 HydrophobicContact CG2-CG 4.45Å; Q2677-Y2754 HydrophobicContact CB-CD1 4.18Å; I2750-Y2754 HydrophobicContact CG2-CD2 3.89Å; I2750-Y2754 HydrophobicContact CG2-CE2 4.25Å; I2750-Y2754 VanDerWaalsContact O-CD2 3.28Å; I2750-Y2754 WeakPolarHBondContact O-CD2 3.33Å; I2750-Y2754 PolarHBondContact O-N 3.23Å; V2751-Y2754 PolarHBondContact O-N 3.31Å; Y2754-I2756 PolarHBondContact O-N 3.22Å; Y2754-T2758 PolarHBondContact O-OG1 3.33Å |
| 2755 | C | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 2.5 | -172.5 | -55 | 0 | 0 | 0 | 0 | 114.1 | L2673 L2699 V2751 T2758 V2763 A2767 | L2673-C2755 PolarHBondContact O-SG 3.07Å; L2699-C2755 HydrophobicContact CD1-CB 4.26Å; V2751-C2755 HydrophobicContact CG1-CB 3.99Å; V2751-C2755 WeakPolarHBondContact O-CA 3.37Å; V2751-C2755 VanDerWaalsContact O-CB 3.29Å; V2751-C2755 WeakPolarHBondContact O-CB 3.38Å; V2751-C2755 PolarHBondContact O-N 3.27Å; C2755-T2758 VanDerWaalsContact CA-OG1 3.27Å; C2755-T2758 WeakPolarHBondContact CA-OG1 3.18Å; C2755-T2758 WeakPolarHBondContact O-CG2 3.39Å; C2755-T2758 PolarHBondContact O-OG1 3.29Å; C2755-V2763 HydrophobicContact CB-CG1 3.84Å; C2755-V2763 WeakPolarHBondContact O-CG1 3.46Å; C2755-V2763 VanDerWaalsContact O-O 3.05Å; C2755-A2767 HydrophobicContact CB-CB 3.96Å |
| 2756 | I | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -101.2 | -52.7 | -177.7 | -52.7 | -60.5 | 0 | 0 | 0 | 111.4 | V2751 L2752 Y2754 T2758 R2764 A2767 I2771 L2792 M2829 | V2751-I2756 WeakPolarHBondContact O-CD1 3Å; V2751-I2756 VanDerWaalsContact O-CG1 3.28Å; V2751-I2756 WeakPolarHBondContact O-CG1 3.11Å; L2752-I2756 HydrophobicContact CD2-CG1 4.4Å; L2752-I2756 WeakPolarHBondContact O-CG1 3.44Å; Y2754-I2756 PolarHBondContact O-N 3.22Å; I2756-T2758 VanDerWaalsContact C-N 3.3Å; I2756-T2758 PolarHBondContact O-N 3.15Å; I2756-T2758 VanDerWaalsContact O-N 3.16Å; I2756-R2764 VanDerWaalsContact O-CD 3.23Å; I2756-R2764 WeakPolarHBondContact O-CD 3.34Å; I2756-A2767 HydrophobicContact CD1-CB 4.05Å; I2756-I2771 HydrophobicContact CD1-CD1 3.76Å; I2756-L2792 HydrophobicContact CD1-CD1 4.02Å; I2756-L2792 HydrophobicContact CG2-CD2 4.38Å; I2756-L2792 HydrophobicContact CG2-CG 4.37Å; I2756-M2829 HydrophobicContact CB-CE 3.87Å; I2756-M2829 HydrophobicContact CG2-CE 3.88Å |
| 2757 | L | 90.9 | Very high | 93.2 | Very high | 38.6 Ų | 38.6 | 25.9 Ų | 25.9 | 20% | 0.202 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -89.1 | 63.3 | 177.3 | -62.4 | -180 | 0 | 0 | 0 | 108.6 | M2829 Q2832 L2833 I2836 | L2757-M2829 HydrophobicContact CD1-CE 4.26Å; L2757-M2829 HydrophobicContact CD1-CG 4.33Å; L2757-M2829 HydrophobicContact CD2-CE 4.2Å; L2757-M2829 HydrophobicContact CD2-CG 4.02Å; L2757-M2829 HydrophobicContact CG-CE 4.07Å; L2757-M2829 HydrophobicContact CG-CG 4.4Å; L2757-Q2832 HydrophobicContact CD1-CB 4.21Å; L2757-Q2832 VanDerWaalsContact CD1-OE1 3.26Å; L2757-Q2832 HydrophobicContact CD2-CB 4.05Å; L2757-L2833 HydrophobicContact CD2-CB 3.93Å; L2757-I2836 HydrophobicContact CB-CD1 3.8Å; L2757-I2836 HydrophobicContact CD2-CD1 4.43Å |
| 2758 | T | 88.4 | Confident | 93.3 | Very high | 7 Ų | 7 | 25.8 Ų | 25.8 | 4% | 0.043 | 15% | 0.146 | C | C | . | . | trans | -128.6 | 142 | -177 | -167.5 | 0 | 0 | 0 | 0 | 109 | F2692 Y2754 C2755 I2756 S2760 V2763 R2764 | F2692-T2758 HydrophobicContact CD1-CG2 3.94Å; F2692-T2758 HydrophobicContact CE1-CG2 3.6Å; F2692-T2758 VanDerWaalsContact CE1-OG1 3.32Å; F2692-T2758 WeakPolarHBondContact CE1-OG1 3.33Å; Y2754-T2758 PolarHBondContact O-OG1 3.33Å; C2755-T2758 VanDerWaalsContact CA-OG1 3.27Å; C2755-T2758 WeakPolarHBondContact CA-OG1 3.18Å; C2755-T2758 WeakPolarHBondContact O-CG2 3.39Å; C2755-T2758 PolarHBondContact O-OG1 3.29Å; I2756-T2758 VanDerWaalsContact C-N 3.3Å; I2756-T2758 PolarHBondContact O-N 3.15Å; I2756-T2758 VanDerWaalsContact O-N 3.16Å; T2758-S2760 VanDerWaalsContact C-N 3.28Å; T2758-S2760 PolarHBondContact O-N 2.97Å; T2758-S2760 PolarHBondContact OG1-N 3.21Å; T2758-V2763 HydrophobicContact CG2-CB 4.02Å; T2758-V2763 HydrophobicContact CG2-CG1 4.03Å; T2758-R2764 HydrophobicContact CG2-CG 3.71Å; T2758-R2764 WeakPolarHBondContact O-CD 3.24Å; T2758-R2764 PolarHBondContact O-NH1 3.08Å | ||
| 2759 | P | 85.7 | Confident | 93.3 | Very high | 47 Ų | 47 | 27 Ų | 27 | 31% | 0.305 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -65.5 | -27.3 | 177.3 | 26.2 | -35 | 0 | 0 | 0 | 112.4 | L2680 F2692 T2761 R2764 I2836 | L2680-P2759 HydrophobicContact CD1-CG 4.44Å; L2680-P2759 HydrophobicContact CD2-CG 4.33Å; F2692-P2759 HydrophobicContact CE1-CG 4.42Å; F2692-P2759 HydrophobicContact CE2-CG 4.46Å; F2692-P2759 HydrophobicContact CZ-CG 3.85Å; P2759-T2761 PolarHBondContact O-N 3.38Å; P2759-R2764 VanDerWaalsContact C-NH1 3.29Å; P2759-R2764 PolarHBondContact O-NH1 3.28Å; P2759-I2836 HydrophobicContact CB-CG2 4.06Å; P2759-I2836 HydrophobicContact CG-CG2 4.49Å |
| 2760 | S | 88.6 | Confident | 93.4 | Very high | 18.4 Ų | 18.4 | 23.7 Ų | 23.7 | 13% | 0.129 | 13% | 0.133 | C | C | . | . | trans | -73.1 | 113.1 | -177 | -178.7 | 0 | 0 | 0 | 0 | 113.4 | F2692 T2758 S2762 V2763 R2764 | F2692-S2760 VanDerWaalsContact CG-CB 3.45Å; T2758-S2760 VanDerWaalsContact C-N 3.28Å; T2758-S2760 PolarHBondContact O-N 2.97Å; T2758-S2760 PolarHBondContact OG1-N 3.21Å; S2760-S2762 VanDerWaalsContact C-N 3.29Å; S2760-S2762 PolarHBondContact O-N 3.03Å; S2760-S2762 PolarHBondContact OG-N 3.08Å; S2760-S2762 VanDerWaalsContact OG-N 3.16Å; S2760-S2762 PolarHBondContact OG-OG 3.08Å; S2760-V2763 CarbonylContact O-C 3.6Å; S2760-V2763 WeakPolarHBondContact O-CA 3.42Å; S2760-V2763 PolarHBondContact O-N 3.04Å; S2760-V2763 PolarHBondContact OG-N 3.23Å; S2760-R2764 VanDerWaalsContact C-NH1 3.32Å; S2760-R2764 WeakPolarHBondContact O-CG 3.4Å; S2760-R2764 PolarHBondContact O-N 3.21Å; S2760-R2764 PolarHBondContact O-NH1 3.14Å | ||
| 2761 | T | 92.4 | Very high | 93.5 | Very high | 53.2 Ų | 53.2 | 22.7 Ų | 22.7 | 33% | 0.326 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -61.3 | -31.7 | 173.4 | -51.3 | 0 | 0 | 0 | 0 | 112.4 | P2759 V2763 R2764 S2765 D2797 I2800 | P2759-T2761 PolarHBondContact O-N 3.38Å; T2761-V2763 PolarHBondContact O-N 2.64Å; T2761-R2764 PolarHBondContact O-N 3.23Å; T2761-R2764 VanDerWaalsContact O-N 3.08Å; T2761-R2764 PolarHBondContact OG1-NH2 3.05Å; T2761-R2764 VanDerWaalsContact OG1-NH2 3.15Å; T2761-S2765 WeakPolarHBondContact O-CB 3.15Å; T2761-S2765 PolarHBondContact O-N 3.14Å; T2761-D2797 HydrophobicContact CG2-CB 3.78Å; T2761-I2800 HydrophobicContact CG2-CD1 3.73Å |
| 2762 | S | 92.7 | Very high | 93.5 | Very high | 57.6 Ų | 57.6 | 24.1 Ų | 24.1 | 40% | 0.403 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -67.8 | -32.5 | 175.9 | 50.8 | 0 | 0 | 0 | 0 | 112 | C2696 S2760 R2764 S2765 S2766 | C2696-S2762 VanDerWaalsContact SG-C 3.55Å; C2696-S2762 PolarHBondContact SG-O 3.33Å; S2760-S2762 VanDerWaalsContact C-N 3.29Å; S2760-S2762 PolarHBondContact O-N 3.03Å; S2760-S2762 PolarHBondContact OG-N 3.08Å; S2760-S2762 VanDerWaalsContact OG-N 3.16Å; S2760-S2762 PolarHBondContact OG-OG 3.08Å; S2762-R2764 PolarHBondContact O-N 3.25Å; S2762-S2765 WeakPolarHBondContact O-CB 3.22Å; S2762-S2765 PolarHBondContact O-N 3.25Å; S2762-S2765 VanDerWaalsContact O-N 3.15Å; S2762-S2766 PolarHBondContact O-N 3.22Å |
| 2763 | V | 94.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -75.9 | -31.7 | 175 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | F2692 Q2695 L2699 C2755 T2758 S2760 T2761 S2765 S2766 A2767 | F2692-V2763 HydrophobicContact CB-CG2 3.79Å; F2692-V2763 HydrophobicContact CD1-CG2 3.94Å; F2692-V2763 HydrophobicContact CG-CG2 4.24Å; F2692-V2763 WeakPolarHBondContact O-CG2 3.37Å; Q2695-V2763 HydrophobicContact CB-CG1 4.31Å; Q2695-V2763 HydrophobicContact CB-CG2 4.14Å; L2699-V2763 HydrophobicContact CD1-CG1 4.07Å; C2755-V2763 HydrophobicContact CB-CG1 3.84Å; C2755-V2763 WeakPolarHBondContact O-CG1 3.46Å; C2755-V2763 VanDerWaalsContact O-O 3.05Å; T2758-V2763 HydrophobicContact CG2-CB 4.02Å; T2758-V2763 HydrophobicContact CG2-CG1 4.03Å; S2760-V2763 CarbonylContact O-C 3.6Å; S2760-V2763 WeakPolarHBondContact O-CA 3.42Å; S2760-V2763 PolarHBondContact O-N 3.04Å; S2760-V2763 PolarHBondContact OG-N 3.23Å; T2761-V2763 PolarHBondContact O-N 2.64Å; V2763-S2765 VanDerWaalsContact C-N 3.28Å; V2763-S2765 PolarHBondContact O-N 3.07Å; V2763-S2766 PolarHBondContact O-N 3.09Å; V2763-A2767 VanDerWaalsContact O-CB 3.31Å; V2763-A2767 WeakPolarHBondContact O-CB 3.33Å; V2763-A2767 PolarHBondContact O-N 3.16Å |
| 2764 | R | 95.5 | Very high | 93.6 | Very high | 0.8 Ų | 0.8 | 18.5 Ų | 18.5 | 0% | 0.003 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -71.9 | -30.2 | 175.2 | -61.1 | -167.3 | -51.2 | -90.9 | -4.4 | 114.3 | I2756 T2758 P2759 S2760 T2761 S2762 L2768 L2792 D2795 S2796 I2800 | I2756-R2764 VanDerWaalsContact O-CD 3.23Å; I2756-R2764 WeakPolarHBondContact O-CD 3.34Å; T2758-R2764 HydrophobicContact CG2-CG 3.71Å; T2758-R2764 WeakPolarHBondContact O-CD 3.24Å; T2758-R2764 PolarHBondContact O-NH1 3.08Å; P2759-R2764 VanDerWaalsContact C-NH1 3.29Å; P2759-R2764 PolarHBondContact O-NH1 3.28Å; S2760-R2764 VanDerWaalsContact C-NH1 3.32Å; S2760-R2764 WeakPolarHBondContact O-CG 3.4Å; S2760-R2764 PolarHBondContact O-N 3.21Å; S2760-R2764 PolarHBondContact O-NH1 3.14Å; T2761-R2764 PolarHBondContact O-N 3.23Å; T2761-R2764 VanDerWaalsContact O-N 3.08Å; T2761-R2764 PolarHBondContact OG1-NH2 3.05Å; T2761-R2764 VanDerWaalsContact OG1-NH2 3.15Å; S2762-R2764 PolarHBondContact O-N 3.25Å; R2764-L2768 WeakPolarHBondContact O-CB 3.34Å; R2764-L2768 PolarHBondContact O-N 3.26Å; R2764-L2792 HydrophobicContact CB-CD2 4.14Å; R2764-L2792 HydrophobicContact CG-CD2 4.44Å; R2764-D2795 WeakPolarHBondContact CD-OD2 3.02Å; R2764-D2795 IonicContact CZ-OD1 3.02Å; R2764-D2795 IonicContact CZ-OD2 3.4Å; R2764-D2795 VanDerWaalsContact CZ-OD2 3.3Å; R2764-D2795 IonicContact NE-OD1 3.51Å; R2764-D2795 IonicContact NE-OD2 3.15Å; R2764-D2795 PolarHBondContact NE-OD2 3.22Å; R2764-D2795 VanDerWaalsContact NH2-CG 3.29Å; R2764-D2795 IonicContact NH2-OD1 3.22Å; R2764-D2795 PolarHBondContact NH2-OD1 3.1Å; R2764-D2795 IonicContact NH2-OD2 3.5Å; R2764-D2795 PolarHBondContact NH2-OD2 3.27Å; R2764-S2796 PolarHBondContact NH2-OG 2.86Å; R2764-I2800 VanDerWaalsContact C-CD1 3.45Å; R2764-I2800 HydrophobicContact CB-CD1 3.98Å; R2764-I2800 HydrophobicContact CB-CG1 4.46Å; R2764-I2800 WeakPolarHBondContact O-CD1 3.39Å; R2764-I2800 WeakPolarHBondContact O-CG1 3.18Å; R2764-I2800 WeakPolarHBondContact O-CG2 3.41Å |
| 2765 | S | 96 | Very high | 93.7 | Very high | 26.6 Ų | 26.6 | 16.7 Ų | 16.7 | 19% | 0.186 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -78.4 | -31.6 | 172.8 | 178.4 | 0 | 0 | 0 | 0 | 116 | T2761 S2762 V2763 L2768 S2769 R2803 | T2761-S2765 WeakPolarHBondContact O-CB 3.15Å; T2761-S2765 PolarHBondContact O-N 3.14Å; S2762-S2765 WeakPolarHBondContact O-CB 3.22Å; S2762-S2765 PolarHBondContact O-N 3.25Å; S2762-S2765 VanDerWaalsContact O-N 3.15Å; V2763-S2765 VanDerWaalsContact C-N 3.28Å; V2763-S2765 PolarHBondContact O-N 3.07Å; S2765-L2768 CarbonylContact O-C 3.58Å; S2765-L2768 VanDerWaalsContact O-C 3.28Å; S2765-L2768 WeakPolarHBondContact O-CA 3.5Å; S2765-L2768 PolarHBondContact O-N 3.28Å; S2765-S2769 PolarHBondContact O-N 3.16Å; S2765-S2769 VanDerWaalsContact O-N 3.13Å; S2765-S2769 PolarHBondContact O-OG 3.09Å; S2765-S2769 VanDerWaalsContact O-OG 3.07Å; S2765-R2803 VanDerWaalsContact O-CZ 3.25Å; S2765-R2803 PolarHBondContact O-NH1 3.15Å; S2765-R2803 PolarHBondContact O-NH2 2.88Å; S2765-R2803 PolarHBondContact OG-NH1 3.21Å; S2765-R2803 VanDerWaalsContact OG-NH1 3.12Å |
| 2766 | S | 95.6 | Very high | 93.6 | Very high | 8.2 Ų | 8.2 | 21.8 Ų | 21.8 | 6% | 0.057 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -75.8 | -41.8 | 177.5 | -112.3 | 0 | 0 | 0 | 0 | 111.3 | L2699 D2700 T2703 S2762 V2763 L2768 S2769 L2770 | L2699-S2766 WeakPolarHBondContact CB-OG 3.33Å; D2700-S2766 VanDerWaalsContact OD1-CB 3.28Å; D2700-S2766 WeakPolarHBondContact OD1-CB 3.39Å; D2700-S2766 PolarHBondContact OD1-OG 3.2Å; T2703-S2766 PolarHBondContact OG1-O 3.21Å; S2762-S2766 PolarHBondContact O-N 3.22Å; V2763-S2766 PolarHBondContact O-N 3.09Å; S2766-L2768 VanDerWaalsContact C-N 3.32Å; S2766-L2768 PolarHBondContact O-N 3.19Å; S2766-S2769 CarbonylContact O-C 3.59Å; S2766-S2769 VanDerWaalsContact O-C 3.24Å; S2766-S2769 VanDerWaalsContact O-CA 3.22Å; S2766-S2769 WeakPolarHBondContact O-CA 3.37Å; S2766-S2769 VanDerWaalsContact O-CB 3.28Å; S2766-S2769 WeakPolarHBondContact O-CB 3.38Å; S2766-S2769 PolarHBondContact O-N 3.24Å; S2766-L2770 PolarHBondContact O-N 3.21Å |
| 2767 | A | 97 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.7 | -36.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L2699 V2751 C2755 I2756 V2763 S2769 L2770 I2771 | L2699-A2767 HydrophobicContact CD1-CB 4.19Å; L2699-A2767 HydrophobicContact CD2-CB 3.85Å; L2699-A2767 HydrophobicContact CG-CB 4.47Å; V2751-A2767 HydrophobicContact CG1-CB 3.79Å; V2751-A2767 VanDerWaalsContact CG1-CB 3.42Å; C2755-A2767 HydrophobicContact CB-CB 3.96Å; I2756-A2767 HydrophobicContact CD1-CB 4.05Å; V2763-A2767 VanDerWaalsContact O-CB 3.31Å; V2763-A2767 WeakPolarHBondContact O-CB 3.33Å; V2763-A2767 PolarHBondContact O-N 3.16Å; A2767-S2769 VanDerWaalsContact C-N 3.29Å; A2767-S2769 PolarHBondContact O-N 3.11Å; A2767-L2770 HydrophobicContact CB-CB 3.98Å; A2767-L2770 HydrophobicContact CB-CD2 4.46Å; A2767-L2770 PolarHBondContact O-N 3.27Å; A2767-I2771 WeakPolarHBondContact O-CB 3.36Å; A2767-I2771 VanDerWaalsContact O-CG1 3.31Å; A2767-I2771 WeakPolarHBondContact O-CG1 3.28Å; A2767-I2771 PolarHBondContact O-N 3.03Å |
| 2768 | L | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.2 | -37.6 | 165.9 | 177.9 | 71.8 | 0 | 0 | 0 | 112.7 | R2764 S2765 S2766 L2770 I2771 S2772 L2789 L2792 I2800 R2803 A2804 | R2764-L2768 WeakPolarHBondContact O-CB 3.34Å; R2764-L2768 PolarHBondContact O-N 3.26Å; S2765-L2768 CarbonylContact O-C 3.58Å; S2765-L2768 VanDerWaalsContact O-C 3.28Å; S2765-L2768 WeakPolarHBondContact O-CA 3.5Å; S2765-L2768 PolarHBondContact O-N 3.28Å; S2766-L2768 VanDerWaalsContact C-N 3.32Å; S2766-L2768 PolarHBondContact O-N 3.19Å; L2768-L2770 VanDerWaalsContact C-N 3.33Å; L2768-L2770 PolarHBondContact O-N 3.41Å; L2768-I2771 HydrophobicContact CB-CB 4.32Å; L2768-I2771 HydrophobicContact CB-CD1 3.57Å; L2768-I2771 HydrophobicContact CB-CG1 4.1Å; L2768-I2771 HydrophobicContact CD1-CD1 3.87Å; L2768-I2771 HydrophobicContact CD1-CG2 4.32Å; L2768-I2771 HydrophobicContact CG-CD1 4.33Å; L2768-S2772 WeakPolarHBondContact O-CB 3.35Å; L2768-S2772 PolarHBondContact O-N 3.01Å; L2768-L2789 HydrophobicContact CD1-CD2 3.68Å; L2768-L2792 HydrophobicContact CB-CD1 4.06Å; L2768-L2792 HydrophobicContact CD1-CD1 4.05Å; L2768-L2792 HydrophobicContact CD2-CD1 4.4Å; L2768-L2792 HydrophobicContact CG-CD1 4.39Å; L2768-I2800 HydrophobicContact CD2-CB 4.49Å; L2768-I2800 HydrophobicContact CD2-CG2 3.95Å; L2768-R2803 HydrophobicContact CD2-CB 3.76Å; L2768-A2804 HydrophobicContact CD1-CB 4.26Å; L2768-A2804 HydrophobicContact CD2-CB 4.16Å |
| 2769 | S | 96.6 | Very high | 93.4 | Very high | 29.6 Ų | 29.6 | 26.2 Ų | 26.2 | 21% | 0.207 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.1 | -38.6 | 175.5 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | S2765 S2766 A2767 S2772 T2773 R2803 | S2765-S2769 PolarHBondContact O-N 3.16Å; S2765-S2769 VanDerWaalsContact O-N 3.13Å; S2765-S2769 PolarHBondContact O-OG 3.09Å; S2765-S2769 VanDerWaalsContact O-OG 3.07Å; S2766-S2769 CarbonylContact O-C 3.59Å; S2766-S2769 VanDerWaalsContact O-C 3.24Å; S2766-S2769 VanDerWaalsContact O-CA 3.22Å; S2766-S2769 WeakPolarHBondContact O-CA 3.37Å; S2766-S2769 VanDerWaalsContact O-CB 3.28Å; S2766-S2769 WeakPolarHBondContact O-CB 3.38Å; S2766-S2769 PolarHBondContact O-N 3.24Å; A2767-S2769 VanDerWaalsContact C-N 3.29Å; A2767-S2769 PolarHBondContact O-N 3.11Å; S2769-S2772 PolarHBondContact O-N 3.06Å; S2769-T2773 WeakPolarHBondContact O-CB 3.24Å; S2769-T2773 PolarHBondContact O-N 3.32Å; S2769-T2773 VanDerWaalsContact O-N 3.16Å; S2769-T2773 PolarHBondContact O-OG1 3.25Å; S2769-R2803 VanDerWaalsContact CA-NH2 3.3Å; S2769-R2803 PolarHBondContact OG-NH1 3.4Å; S2769-R2803 PolarHBondContact OG-NH2 3.08Å |
| 2770 | L | 96.8 | Very high | 93.7 | Very high | 4.2 Ų | 4.2 | 25.2 Ų | 25.2 | 2% | 0.022 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.5 | -49.1 | 174.1 | -175.5 | 59.5 | 0 | 0 | 0 | 111.1 | L2699 L2702 T2703 L2706 V2751 S2766 A2767 L2768 S2772 T2773 I2774 | L2699-L2770 HydrophobicContact CD2-CD2 4.03Å; L2702-L2770 HydrophobicContact CB-CD1 3.92Å; L2702-L2770 HydrophobicContact CB-CD2 4.21Å; L2702-L2770 HydrophobicContact CD1-CD2 4.15Å; T2703-L2770 WeakPolarHBondContact OG1-CA 3.32Å; T2703-L2770 WeakPolarHBondContact OG1-CB 3.41Å; T2703-L2770 PolarHBondContact OG1-N 3.26Å; L2706-L2770 HydrophobicContact CD1-CD1 3.85Å; V2751-L2770 HydrophobicContact CG1-CD2 4.44Å; V2751-L2770 HydrophobicContact CG2-CD2 4.09Å; S2766-L2770 PolarHBondContact O-N 3.21Å; A2767-L2770 HydrophobicContact CB-CB 3.98Å; A2767-L2770 HydrophobicContact CB-CD2 4.46Å; A2767-L2770 PolarHBondContact O-N 3.27Å; L2768-L2770 VanDerWaalsContact C-N 3.33Å; L2768-L2770 PolarHBondContact O-N 3.41Å; L2770-S2772 VanDerWaalsContact C-N 3.33Å; L2770-S2772 PolarHBondContact O-N 3.04Å; L2770-T2773 WeakPolarHBondContact O-CB 3.41Å; L2770-T2773 PolarHBondContact O-N 3.05Å; L2770-T2773 VanDerWaalsContact O-N 3.11Å; L2770-I2774 HydrophobicContact CD1-CD1 4.05Å; L2770-I2774 HydrophobicContact CD1-CG1 4.32Å; L2770-I2774 HydrophobicContact CG-CD1 3.91Å; L2770-I2774 VanDerWaalsContact O-CB 3.22Å; L2770-I2774 WeakPolarHBondContact O-CB 3.35Å; L2770-I2774 WeakPolarHBondContact O-CG1 3.35Å; L2770-I2774 PolarHBondContact O-N 3.21Å |
| 2771 | I | 96.7 | Very high | 93.8 | Very high | 0.2 Ų | 0.2 | 28.6 Ų | 28.6 | 0% | 0.001 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.3 | -48.7 | 174.8 | -70.9 | 168.3 | 0 | 0 | 0 | 110.7 | L2748 L2752 I2756 A2767 L2768 T2773 I2774 L2775 V2785 L2789 | L2748-I2771 HydrophobicContact CD1-CG1 4.04Å; L2752-I2771 HydrophobicContact CD2-CD1 3.78Å; L2752-I2771 HydrophobicContact CD2-CG1 4.42Å; I2756-I2771 HydrophobicContact CD1-CD1 3.76Å; A2767-I2771 WeakPolarHBondContact O-CB 3.36Å; A2767-I2771 VanDerWaalsContact O-CG1 3.31Å; A2767-I2771 WeakPolarHBondContact O-CG1 3.28Å; A2767-I2771 PolarHBondContact O-N 3.03Å; L2768-I2771 HydrophobicContact CB-CB 4.32Å; L2768-I2771 HydrophobicContact CB-CD1 3.57Å; L2768-I2771 HydrophobicContact CB-CG1 4.1Å; L2768-I2771 HydrophobicContact CD1-CD1 3.87Å; L2768-I2771 HydrophobicContact CD1-CG2 4.32Å; L2768-I2771 HydrophobicContact CG-CD1 4.33Å; I2771-T2773 VanDerWaalsContact C-N 3.27Å; I2771-T2773 PolarHBondContact O-N 3.24Å; I2771-T2773 VanDerWaalsContact O-N 3.13Å; I2771-I2774 CarbonylContact O-C 3.39Å; I2771-I2774 PolarHBondContact O-N 3.14Å; I2771-L2775 HydrophobicContact CG2-CB 4.36Å; I2771-L2775 HydrophobicContact CG2-CD1 3.81Å; I2771-L2775 HydrophobicContact CG2-CG 4.15Å; I2771-L2775 VanDerWaalsContact CG2-CG 3.46Å; I2771-L2775 WeakPolarHBondContact O-CB 3.28Å; I2771-L2775 WeakPolarHBondContact O-CG 3.33Å; I2771-L2775 PolarHBondContact O-N 3.2Å; I2771-V2785 HydrophobicContact CB-CG1 4.3Å; I2771-V2785 HydrophobicContact CD1-CG1 4Å; I2771-V2785 HydrophobicContact CG1-CB 4.49Å; I2771-V2785 HydrophobicContact CG1-CG1 4.19Å; I2771-V2785 HydrophobicContact CG2-CB 4.11Å; I2771-V2785 HydrophobicContact CG2-CG1 4.02Å; I2771-V2785 HydrophobicContact CG2-CG2 4.09Å; I2771-L2789 HydrophobicContact CD1-CD2 3.52Å; I2771-L2789 HydrophobicContact CD1-CG 3.95Å; I2771-L2789 HydrophobicContact CG2-CD2 4.11Å; I2771-L2789 HydrophobicContact CG2-CG 4.44Å |
| 2772 | S | 95.5 | Very high | 93.7 | Very high | 29.4 Ų | 29.4 | 27.1 Ų | 27.1 | 21% | 0.206 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.6 | -36.4 | -179 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | L2768 S2769 L2770 R2776 C2807 | L2768-S2772 WeakPolarHBondContact O-CB 3.35Å; L2768-S2772 PolarHBondContact O-N 3.01Å; S2769-S2772 PolarHBondContact O-N 3.06Å; L2770-S2772 VanDerWaalsContact C-N 3.33Å; L2770-S2772 PolarHBondContact O-N 3.04Å; S2772-R2776 VanDerWaalsContact O-CB 3.26Å; S2772-R2776 WeakPolarHBondContact O-CB 3.38Å; S2772-R2776 PolarHBondContact O-N 3.15Å; S2772-C2807 PolarHBondContact OG-SG 2.97Å; S2772-C2807 VanDerWaalsContact OG-SG 3.4Å |
| 2773 | T | 93.9 | Very high | 93.6 | Very high | 6.4 Ų | 6.4 | 25 Ų | 25 | 4% | 0.039 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -71.5 | -47.2 | 176.4 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | L2706 L2707 S2769 L2770 I2771 L2775 R2776 Q2777 | L2706-T2773 HydrophobicContact CB-CG2 3.75Å; L2706-T2773 HydrophobicContact CD1-CG2 4.35Å; L2707-T2773 HydrophobicContact CD2-CG2 3.88Å; L2707-T2773 HydrophobicContact CG-CG2 4.24Å; S2769-T2773 WeakPolarHBondContact O-CB 3.24Å; S2769-T2773 PolarHBondContact O-N 3.32Å; S2769-T2773 VanDerWaalsContact O-N 3.16Å; S2769-T2773 PolarHBondContact O-OG1 3.25Å; L2770-T2773 WeakPolarHBondContact O-CB 3.41Å; L2770-T2773 PolarHBondContact O-N 3.05Å; L2770-T2773 VanDerWaalsContact O-N 3.11Å; I2771-T2773 VanDerWaalsContact C-N 3.27Å; I2771-T2773 PolarHBondContact O-N 3.24Å; I2771-T2773 VanDerWaalsContact O-N 3.13Å; T2773-L2775 VanDerWaalsContact C-N 3.32Å; T2773-L2775 PolarHBondContact O-N 3.08Å; T2773-R2776 PolarHBondContact O-N 3.04Å; T2773-R2776 PolarHBondContact OG1-NH1 2.7Å; T2773-Q2777 HydrophobicContact CG2-CG 4.48Å; T2773-Q2777 VanDerWaalsContact CG2-NE2 3.34Å; T2773-Q2777 WeakPolarHBondContact O-CB 3.37Å; T2773-Q2777 VanDerWaalsContact O-CG 3.29Å; T2773-Q2777 WeakPolarHBondContact O-CG 3.4Å; T2773-Q2777 PolarHBondContact O-N 3.19Å |
| 2774 | I | 94.7 | Very high | 93.5 | Very high | 2.8 Ų | 2.8 | 30 Ų | 30 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.1 | -43.9 | 176.3 | -70.5 | 169.9 | 0 | 0 | 0 | 111.5 | L2706 A2744 L2748 L2770 I2771 Q2777 G2778 L2779 I2780 | L2706-I2774 HydrophobicContact CD1-CD1 4.37Å; L2706-I2774 HydrophobicContact CD1-CG1 3.68Å; A2744-I2774 HydrophobicContact CB-CD1 4.08Å; A2744-I2774 HydrophobicContact CB-CG1 4.18Å; L2748-I2774 HydrophobicContact CB-CD1 4.35Å; L2748-I2774 HydrophobicContact CD1-CD1 4.08Å; L2748-I2774 HydrophobicContact CD2-CD1 4.49Å; L2748-I2774 HydrophobicContact CD2-CG2 4.49Å; L2770-I2774 HydrophobicContact CD1-CD1 4.05Å; L2770-I2774 HydrophobicContact CD1-CG1 4.32Å; L2770-I2774 HydrophobicContact CG-CD1 3.91Å; L2770-I2774 VanDerWaalsContact O-CB 3.22Å; L2770-I2774 WeakPolarHBondContact O-CB 3.35Å; L2770-I2774 WeakPolarHBondContact O-CG1 3.35Å; L2770-I2774 PolarHBondContact O-N 3.21Å; I2771-I2774 CarbonylContact O-C 3.39Å; I2771-I2774 PolarHBondContact O-N 3.14Å; I2774-Q2777 PolarHBondContact O-N 2.91Å; I2774-G2778 WeakPolarHBondContact O-CA 3.38Å; I2774-G2778 PolarHBondContact O-N 3.14Å; I2774-L2779 HydrophobicContact CG1-CD1 4.42Å; I2774-L2779 HydrophobicContact CG2-CB 4.36Å; I2774-L2779 PolarHBondContact O-N 3.29Å; I2774-L2779 VanDerWaalsContact O-N 3.1Å; I2774-I2780 HydrophobicContact CG2-CB 3.95Å; I2774-I2780 HydrophobicContact CG2-CD1 4.17Å; I2774-I2780 HydrophobicContact CG2-CG1 4.11Å |
| 2775 | L | 92.6 | Very high | 93.5 | Very high | 20 Ų | 20 | 30.1 Ų | 30.1 | 11% | 0.105 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.7 | -33.6 | 177.7 | -74.6 | 178.9 | 0 | 0 | 0 | 113.6 | I2771 T2773 G2778 P2782 V2785 L2789 C2807 V2811 K2814 | I2771-L2775 HydrophobicContact CG2-CB 4.36Å; I2771-L2775 HydrophobicContact CG2-CD1 3.81Å; I2771-L2775 HydrophobicContact CG2-CG 4.15Å; I2771-L2775 VanDerWaalsContact CG2-CG 3.46Å; I2771-L2775 WeakPolarHBondContact O-CB 3.28Å; I2771-L2775 WeakPolarHBondContact O-CG 3.33Å; I2771-L2775 PolarHBondContact O-N 3.2Å; T2773-L2775 VanDerWaalsContact C-N 3.32Å; T2773-L2775 PolarHBondContact O-N 3.08Å; L2775-G2778 PolarHBondContact O-N 2.98Å; L2775-P2782 HydrophobicContact CD2-CB 3.76Å; L2775-P2782 HydrophobicContact CD2-CG 3.83Å; L2775-V2785 HydrophobicContact CD1-CB 4.42Å; L2775-V2785 HydrophobicContact CD1-CG1 4.08Å; L2775-V2785 HydrophobicContact CD1-CG2 3.83Å; L2775-V2785 HydrophobicContact CD2-CG2 3.92Å; L2775-V2785 HydrophobicContact CG-CG2 4.03Å; L2775-L2789 HydrophobicContact CD1-CD1 3.87Å; L2775-C2807 HydrophobicContact CD1-CB 4.49Å; L2775-V2811 HydrophobicContact CD1-CG2 3.95Å; L2775-V2811 HydrophobicContact CD2-CG2 4.09Å; L2775-V2811 HydrophobicContact CG-CG2 4.47Å; L2775-K2814 PolarHBondContact O-NZ 3.24Å; L2775-K2814 VanDerWaalsContact O-NZ 3.13Å |
| 2776 | R | 89.9 | Confident | 93.4 | Very high | 106.8 Ų | 106.8 | 28.9 Ų | 28.9 | 40% | 0.403 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -67.6 | -44 | 175.4 | -175.9 | 177.7 | 70.4 | -124.4 | -1.7 | 110.8 | E2710 S2772 T2773 G2778 | E2710-R2776 VanDerWaalsContact CD-NH2 3.34Å; E2710-R2776 IonicContact OE1-CZ 3.18Å; E2710-R2776 IonicContact OE1-NE 3.38Å; E2710-R2776 PolarHBondContact OE1-NE 3.26Å; E2710-R2776 VanDerWaalsContact OE1-NE 3.11Å; E2710-R2776 IonicContact OE1-NH2 3.45Å; E2710-R2776 PolarHBondContact OE1-NH2 3.23Å; E2710-R2776 IonicContact OE2-CZ 3.66Å; E2710-R2776 IonicContact OE2-NE 3.38Å; E2710-R2776 PolarHBondContact OE2-NE 3.24Å; E2710-R2776 IonicContact OE2-NH2 3.15Å; E2710-R2776 PolarHBondContact OE2-NH2 3.16Å; S2772-R2776 VanDerWaalsContact O-CB 3.26Å; S2772-R2776 WeakPolarHBondContact O-CB 3.38Å; S2772-R2776 PolarHBondContact O-N 3.15Å; T2773-R2776 PolarHBondContact O-N 3.04Å; T2773-R2776 PolarHBondContact OG1-NH1 2.7Å; R2776-G2778 VanDerWaalsContact C-N 3.34Å |
| 2777 | Q | 89.4 | Confident | 93.4 | Very high | 49 Ų | 49 | 28.8 Ų | 28.8 | 23% | 0.229 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -78.5 | -18.1 | -179.2 | -65.9 | 176.9 | 7.5 | 0 | 0 | 113.4 | L2706 E2710 T2773 I2774 L2779 | L2706-Q2777 VanDerWaalsContact C-NE2 3.28Å; L2706-Q2777 PolarHBondContact O-NE2 3.17Å; E2710-Q2777 HydrophobicContact CB-CG 4.17Å; E2710-Q2777 VanDerWaalsContact CB-NE2 3.28Å; E2710-Q2777 HydrophobicContact CG-CG 4.25Å; E2710-Q2777 PolarHBondContact OE2-NE2 3.12Å; T2773-Q2777 HydrophobicContact CG2-CG 4.48Å; T2773-Q2777 VanDerWaalsContact CG2-NE2 3.34Å; T2773-Q2777 WeakPolarHBondContact O-CB 3.37Å; T2773-Q2777 VanDerWaalsContact O-CG 3.29Å; T2773-Q2777 WeakPolarHBondContact O-CG 3.4Å; T2773-Q2777 PolarHBondContact O-N 3.19Å; I2774-Q2777 PolarHBondContact O-N 2.91Å; Q2777-L2779 HydrophobicContact CB-CD1 4.31Å; Q2777-L2779 HydrophobicContact CB-CD2 4.43Å; Q2777-L2779 HydrophobicContact CB-CG 3.92Å; Q2777-L2779 VanDerWaalsContact OE1-CD1 3.26Å |
| 2778 | G | 89.9 | Confident | 93.4 | Very high | 57 Ų | 57 | 29 Ų | 29 | 59% | 0.588 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 20.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | I2774 L2775 R2776 I2780 | I2774-G2778 WeakPolarHBondContact O-CA 3.38Å; I2774-G2778 PolarHBondContact O-N 3.14Å; L2775-G2778 PolarHBondContact O-N 2.98Å; R2776-G2778 VanDerWaalsContact C-N 3.34Å; G2778-I2780 VanDerWaalsContact C-N 3.32Å; G2778-I2780 PolarHBondContact O-N 3.09Å |
| 2779 | L | 90.6 | Very high | 93.4 | Very high | 32.6 Ų | 32.6 | 29 Ų | 29 | 17% | 0.171 | 16% | 0.159 | C | C | . | . | trans | -69 | -23.7 | -173.2 | -61.1 | 175.7 | 0 | 0 | 0 | 114.1 | L2706 S2741 A2744 I2774 Q2777 | L2706-L2779 HydrophobicContact CD1-CD1 4.18Å; L2706-L2779 HydrophobicContact CD2-CD1 3.71Å; L2706-L2779 HydrophobicContact CG-CD1 4.47Å; S2741-L2779 PolarHBondContact OG-O 3.24Å; A2744-L2779 HydrophobicContact CB-CB 4.2Å; A2744-L2779 HydrophobicContact CB-CD1 4.05Å; I2774-L2779 HydrophobicContact CG1-CD1 4.42Å; I2774-L2779 HydrophobicContact CG2-CB 4.36Å; I2774-L2779 PolarHBondContact O-N 3.29Å; I2774-L2779 VanDerWaalsContact O-N 3.1Å; Q2777-L2779 HydrophobicContact CB-CD1 4.31Å; Q2777-L2779 HydrophobicContact CB-CD2 4.43Å; Q2777-L2779 HydrophobicContact CB-CG 3.92Å; Q2777-L2779 VanDerWaalsContact OE1-CD1 3.26Å | ||
| 2780 | I | 91.4 | Very high | 93.4 | Very high | 26 Ų | 26 | 27.5 Ų | 27.5 | 13% | 0.133 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -139 | 144.5 | -177.9 | -63.2 | 177.8 | 0 | 0 | 0 | 109.3 | A2744 Q2745 L2748 I2774 G2778 H2784 | A2744-I2780 VanDerWaalsContact C-CD1 3.48Å; A2744-I2780 HydrophobicContact CB-CD1 3.81Å; A2744-I2780 HydrophobicContact CB-CG1 4.27Å; A2744-I2780 WeakPolarHBondContact O-CD1 3.32Å; Q2745-I2780 HydrophobicContact CB-CD1 4.49Å; Q2745-I2780 HydrophobicContact CG-CD1 4.04Å; Q2745-I2780 HydrophobicContact CG-CG1 4.01Å; L2748-I2780 HydrophobicContact CB-CD1 3.89Å; L2748-I2780 HydrophobicContact CD2-CB 4.34Å; L2748-I2780 HydrophobicContact CD2-CD1 3.48Å; L2748-I2780 VanDerWaalsContact CD2-CD1 3.42Å; L2748-I2780 HydrophobicContact CD2-CG1 4.44Å; L2748-I2780 HydrophobicContact CD2-CG2 4.01Å; L2748-I2780 HydrophobicContact CG-CD1 4.32Å; I2774-I2780 HydrophobicContact CG2-CB 3.95Å; I2774-I2780 HydrophobicContact CG2-CD1 4.17Å; I2774-I2780 HydrophobicContact CG2-CG1 4.11Å; G2778-I2780 VanDerWaalsContact C-N 3.32Å; G2778-I2780 PolarHBondContact O-N 3.09Å; I2780-H2784 HydrophobicContact CG2-CB 4.42Å |
| 2781 | H | 90.8 | Very high | 93.4 | Very high | 90.2 Ų | 90.2 | 27.3 Ų | 27.3 | 42% | 0.418 | 15% | 0.149 | S | C | . | . | trans | -59.4 | 129.3 | 176.8 | -172 | -95.6 | 0 | 0 | 0 | 111.5 | S2783 H2784 F2818 | H2781-S2783 VanDerWaalsContact C-N 3.27Å; H2781-S2783 PolarHBondContact CE1-OG 3.08Å; H2781-S2783 VanDerWaalsContact CE1-OG 3.32Å; H2781-S2783 VanDerWaalsContact ND1-CB 3.27Å; H2781-S2783 WeakPolarHBondContact ND1-CB 3.39Å; H2781-S2783 PolarHBondContact ND1-N 3.2Å; H2781-S2783 VanDerWaalsContact ND1-N 3.18Å; H2781-S2783 PolarHBondContact ND1-OG 3.11Å; H2781-S2783 PolarHBondContact O-N 3.08Å; H2781-S2783 VanDerWaalsContact O-N 3.13Å; H2781-H2784 PolarHBondContact O-CD2 3.09Å; H2781-H2784 PolarHBondContact O-N 3.43Å; H2781-F2818 AromaticContact CE1-CE1 3.72Å; H2781-F2818 VanDerWaalsContact CE1-CE1 3.41Å; H2781-F2818 WeakPolarHBondContact CE1-CE1 3.42Å; H2781-F2818 AromaticContact CE1-CE2 3.4Å; H2781-F2818 WeakPolarHBondContact CE1-CE2 3.18Å; H2781-F2818 AromaticContact CE1-CZ 3.77Å; H2781-F2818 AromaticContact NE2-CE1 3.44Å; H2781-F2818 WeakPolarHBondContact NE2-CE1 3.38Å; H2781-F2818 AromaticContact NE2-CE2 3.44Å; H2781-F2818 WeakPolarHBondContact NE2-CE2 3.46Å; H2781-F2818 AromaticContact NE2-CZ 3.67Å | ||
| 2782 | P | 90.9 | Very high | 93.3 | Very high | 20.8 Ų | 20.8 | 27.3 Ų | 27.3 | 14% | 0.135 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -62.9 | -22.7 | -170.1 | -8.1 | 9.1 | 0 | 0 | 0 | 115.3 | L2775 H2784 V2785 L2786 V2811 I2815 F2818 | L2775-P2782 HydrophobicContact CD2-CB 3.76Å; L2775-P2782 HydrophobicContact CD2-CG 3.83Å; P2782-H2784 PolarHBondContact O-N 3.16Å; P2782-H2784 VanDerWaalsContact O-N 3.09Å; P2782-V2785 VanDerWaalsContact O-CG2 3.26Å; P2782-V2785 WeakPolarHBondContact O-CG2 3.33Å; P2782-V2785 PolarHBondContact O-N 3.18Å; P2782-V2785 VanDerWaalsContact O-N 3.09Å; P2782-L2786 WeakPolarHBondContact O-CG 3.39Å; P2782-L2786 PolarHBondContact O-N 3.24Å; P2782-V2811 HydrophobicContact CB-CB 4.35Å; P2782-V2811 HydrophobicContact CB-CG1 3.56Å; P2782-V2811 HydrophobicContact CB-CG2 4.18Å; P2782-V2811 HydrophobicContact CG-CG1 4.19Å; P2782-V2811 HydrophobicContact CG-CG2 4.47Å; P2782-I2815 HydrophobicContact CB-CD1 4.47Å; P2782-I2815 HydrophobicContact CG-CD1 3.86Å; P2782-F2818 HydrophobicContact CG-CD1 4.17Å; P2782-F2818 HydrophobicContact CG-CD2 4.12Å; P2782-F2818 HydrophobicContact CG-CE1 4.26Å; P2782-F2818 HydrophobicContact CG-CE2 4.13Å |
| 2783 | S | 90.7 | Very high | 93.3 | Very high | 15 Ų | 15 | 26.8 Ų | 26.8 | 11% | 0.105 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -55.2 | -28.6 | -178 | 64.2 | 0 | 0 | 0 | 0 | 114.2 | H2781 V2785 R2822 | H2781-S2783 VanDerWaalsContact C-N 3.27Å; H2781-S2783 PolarHBondContact CE1-OG 3.08Å; H2781-S2783 VanDerWaalsContact CE1-OG 3.32Å; H2781-S2783 VanDerWaalsContact ND1-CB 3.27Å; H2781-S2783 WeakPolarHBondContact ND1-CB 3.39Å; H2781-S2783 PolarHBondContact ND1-N 3.2Å; H2781-S2783 VanDerWaalsContact ND1-N 3.18Å; H2781-S2783 PolarHBondContact ND1-OG 3.11Å; H2781-S2783 PolarHBondContact O-N 3.08Å; H2781-S2783 VanDerWaalsContact O-N 3.13Å; S2783-V2785 VanDerWaalsContact C-N 3.31Å; S2783-V2785 PolarHBondContact O-N 3.15Å; S2783-R2822 VanDerWaalsContact O-CZ 3.29Å; S2783-R2822 PolarHBondContact O-NH1 3.15Å |
| 2784 | H | 91.2 | Very high | 93.3 | Very high | 105 Ų | 105 | 26.7 Ų | 26.7 | 49% | 0.486 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | -69.5 | -26.9 | -179.7 | -65.8 | -91.5 | 0 | 0 | 0 | 113.1 | L2752 I2780 H2781 P2782 | L2752-H2784 WeakPolarHBondContact CD1-O 3.27Å; L2752-H2784 VanDerWaalsContact CD2-O 3.23Å; L2752-H2784 WeakPolarHBondContact CD2-O 2.87Å; I2780-H2784 HydrophobicContact CG2-CB 4.42Å; H2781-H2784 PolarHBondContact O-CD2 3.09Å; H2781-H2784 PolarHBondContact O-N 3.43Å; P2782-H2784 PolarHBondContact O-N 3.16Å; P2782-H2784 VanDerWaalsContact O-N 3.09Å |
| 2785 | V | 95.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -10.6 | -173.2 | -68.4 | 0 | 0 | 0 | 0 | 113.8 | L2748 L2752 I2771 L2775 P2782 S2783 S2787 S2788 L2789 | L2748-V2785 HydrophobicContact CD1-CG1 4.05Å; L2748-V2785 HydrophobicContact CD1-CG2 4.37Å; L2748-V2785 HydrophobicContact CD2-CG1 3.76Å; L2748-V2785 HydrophobicContact CD2-CG2 3.76Å; L2748-V2785 HydrophobicContact CG-CG1 4.39Å; L2752-V2785 HydrophobicContact CD1-CG1 4.18Å; L2752-V2785 HydrophobicContact CD2-CB 4.4Å; L2752-V2785 HydrophobicContact CD2-CG1 4.12Å; I2771-V2785 HydrophobicContact CB-CG1 4.3Å; I2771-V2785 HydrophobicContact CD1-CG1 4Å; I2771-V2785 HydrophobicContact CG1-CB 4.49Å; I2771-V2785 HydrophobicContact CG1-CG1 4.19Å; I2771-V2785 HydrophobicContact CG2-CB 4.11Å; I2771-V2785 HydrophobicContact CG2-CG1 4.02Å; I2771-V2785 HydrophobicContact CG2-CG2 4.09Å; L2775-V2785 HydrophobicContact CD1-CB 4.42Å; L2775-V2785 HydrophobicContact CD1-CG1 4.08Å; L2775-V2785 HydrophobicContact CD1-CG2 3.83Å; L2775-V2785 HydrophobicContact CD2-CG2 3.92Å; L2775-V2785 HydrophobicContact CG-CG2 4.03Å; P2782-V2785 VanDerWaalsContact O-CG2 3.26Å; P2782-V2785 WeakPolarHBondContact O-CG2 3.33Å; P2782-V2785 PolarHBondContact O-N 3.18Å; P2782-V2785 VanDerWaalsContact O-N 3.09Å; S2783-V2785 VanDerWaalsContact C-N 3.31Å; S2783-V2785 PolarHBondContact O-N 3.15Å; V2785-S2787 PolarHBondContact O-N 3.1Å; V2785-S2788 WeakPolarHBondContact O-CB 3.42Å; V2785-S2788 PolarHBondContact O-N 3.06Å; V2785-S2788 VanDerWaalsContact O-N 3.1Å; V2785-L2789 HydrophobicContact CG1-CG 4.28Å; V2785-L2789 HydrophobicContact CG2-CD1 4.21Å; V2785-L2789 HydrophobicContact CG2-CG 4.44Å; V2785-L2789 WeakPolarHBondContact O-CG 3.47Å; V2785-L2789 PolarHBondContact O-N 2.99Å |
| 2786 | L | 95.1 | Very high | 93 | Very high | 0.8 Ų | 0.8 | 28.7 Ų | 28.7 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.6 | -45.4 | -173.6 | -74.5 | 173.7 | 0 | 0 | 0 | 113.5 | P2782 S2788 L2789 I2790 L2808 V2811 F2818 A2819 R2822 | P2782-L2786 WeakPolarHBondContact O-CG 3.39Å; P2782-L2786 PolarHBondContact O-N 3.24Å; L2786-S2788 VanDerWaalsContact C-N 3.28Å; L2786-S2788 PolarHBondContact O-N 3.05Å; L2786-L2789 PolarHBondContact O-N 3.15Å; L2786-I2790 VanDerWaalsContact O-CG1 3.3Å; L2786-I2790 WeakPolarHBondContact O-CG1 3.35Å; L2786-I2790 PolarHBondContact O-N 3.34Å; L2786-L2808 HydrophobicContact CD2-CD1 3.5Å; L2786-L2808 VanDerWaalsContact CD2-CD1 3.44Å; L2786-V2811 HydrophobicContact CD2-CB 4.35Å; L2786-V2811 HydrophobicContact CD2-CG1 3.76Å; L2786-V2811 HydrophobicContact CG-CG1 4.33Å; L2786-F2818 VanDerWaalsContact CD1-C 3.45Å; L2786-F2818 HydrophobicContact CD1-CB 3.76Å; L2786-F2818 WeakPolarHBondContact CD1-O 3.46Å; L2786-A2819 HydrophobicContact CD2-CB 4.31Å; L2786-R2822 HydrophobicContact CB-CB 3.76Å; L2786-R2822 HydrophobicContact CB-CG 4.08Å; L2786-R2822 HydrophobicContact CD1-CB 4.29Å; L2786-R2822 HydrophobicContact CD1-CG 4.12Å |
| 2787 | S | 96 | Very high | 93.1 | Very high | 6.4 Ų | 6.4 | 25.8 Ų | 25.8 | 5% | 0.045 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.9 | -38.8 | 178 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | V2785 I2790 C2791 S2825 G2826 M2829 | V2785-S2787 PolarHBondContact O-N 3.1Å; S2787-I2790 PolarHBondContact O-N 3.07Å; S2787-C2791 WeakPolarHBondContact O-CB 3.36Å; S2787-C2791 PolarHBondContact O-N 3.07Å; S2787-S2825 WeakPolarHBondContact CB-OG 3.46Å; S2787-S2825 VanDerWaalsContact OG-CB 3.3Å; S2787-S2825 WeakPolarHBondContact OG-CB 3.43Å; S2787-S2825 PolarHBondContact OG-OG 3.4Å; S2787-G2826 VanDerWaalsContact O-CA 3.22Å; S2787-G2826 WeakPolarHBondContact O-CA 3.47Å; S2787-M2829 VanDerWaalsContact CB-SD 3.53Å; S2787-M2829 WeakPolarHBondContact O-CE 3.21Å |
| 2788 | S | 96.5 | Very high | 93.1 | Very high | 3.8 Ų | 3.8 | 27.2 Ų | 27.2 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.1 | -39.4 | 177.4 | -55 | 0 | 0 | 0 | 0 | 112.7 | L2752 V2785 L2786 I2790 C2791 L2792 | L2752-S2788 VanDerWaalsContact CD2-OG 3.31Å; L2752-S2788 WeakPolarHBondContact CD2-OG 3.34Å; V2785-S2788 WeakPolarHBondContact O-CB 3.42Å; V2785-S2788 PolarHBondContact O-N 3.06Å; V2785-S2788 VanDerWaalsContact O-N 3.1Å; L2786-S2788 VanDerWaalsContact C-N 3.28Å; L2786-S2788 PolarHBondContact O-N 3.05Å; S2788-I2790 VanDerWaalsContact C-N 3.25Å; S2788-I2790 PolarHBondContact O-N 3.24Å; S2788-C2791 WeakPolarHBondContact O-CB 3.29Å; S2788-C2791 PolarHBondContact O-N 3.28Å; S2788-L2792 WeakPolarHBondContact O-CB 3.38Å; S2788-L2792 VanDerWaalsContact O-CG 3.3Å; S2788-L2792 WeakPolarHBondContact O-CG 3.47Å; S2788-L2792 PolarHBondContact O-N 3.13Å |
| 2789 | L | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.1 | -43.5 | 173.6 | -75.4 | 178.8 | 0 | 0 | 0 | 111.7 | L2768 I2771 L2775 V2785 L2786 C2791 L2792 Q2793 A2804 C2807 L2808 V2811 | L2768-L2789 HydrophobicContact CD1-CD2 3.68Å; I2771-L2789 HydrophobicContact CD1-CD2 3.52Å; I2771-L2789 HydrophobicContact CD1-CG 3.95Å; I2771-L2789 HydrophobicContact CG2-CD2 4.11Å; I2771-L2789 HydrophobicContact CG2-CG 4.44Å; L2775-L2789 HydrophobicContact CD1-CD1 3.87Å; V2785-L2789 HydrophobicContact CG1-CG 4.28Å; V2785-L2789 HydrophobicContact CG2-CD1 4.21Å; V2785-L2789 HydrophobicContact CG2-CG 4.44Å; V2785-L2789 WeakPolarHBondContact O-CG 3.47Å; V2785-L2789 PolarHBondContact O-N 2.99Å; L2786-L2789 PolarHBondContact O-N 3.15Å; L2789-C2791 VanDerWaalsContact C-N 3.34Å; L2789-L2792 PolarHBondContact O-N 3.24Å; L2789-Q2793 WeakPolarHBondContact O-CG 3.37Å; L2789-Q2793 PolarHBondContact O-N 3.12Å; L2789-Q2793 VanDerWaalsContact O-N 3.11Å; L2789-A2804 HydrophobicContact CD2-CB 4.45Å; L2789-C2807 HydrophobicContact CD1-CB 4.13Å; L2789-C2807 HydrophobicContact CD2-CB 3.88Å; L2789-C2807 HydrophobicContact CG-CB 4.48Å; L2789-L2808 HydrophobicContact CB-CB 4.4Å; L2789-L2808 HydrophobicContact CB-CD1 4.21Å; L2789-L2808 HydrophobicContact CD1-CB 4.44Å; L2789-L2808 HydrophobicContact CD1-CD1 4.4Å; L2789-V2811 HydrophobicContact CD1-CG2 4.46Å |
| 2790 | I | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.6 | -47.8 | 175.2 | -69.6 | 169.6 | 0 | 0 | 0 | 110.3 | L2786 S2787 S2788 L2792 Q2793 L2808 A2823 L2879 | L2786-I2790 VanDerWaalsContact O-CG1 3.3Å; L2786-I2790 WeakPolarHBondContact O-CG1 3.35Å; L2786-I2790 PolarHBondContact O-N 3.34Å; S2787-I2790 PolarHBondContact O-N 3.07Å; S2788-I2790 VanDerWaalsContact C-N 3.25Å; S2788-I2790 PolarHBondContact O-N 3.24Å; I2790-L2792 VanDerWaalsContact C-N 3.32Å; I2790-L2792 PolarHBondContact O-N 3.07Å; I2790-Q2793 VanDerWaalsContact O-CB 3.3Å; I2790-Q2793 WeakPolarHBondContact O-CB 3.39Å; I2790-Q2793 PolarHBondContact O-N 3.22Å; I2790-Q2793 VanDerWaalsContact O-N 3.11Å; I2790-L2808 HydrophobicContact CD1-CD2 4.47Å; I2790-L2808 HydrophobicContact CG1-CD1 4.21Å; I2790-L2808 HydrophobicContact CG1-CD2 3.73Å; I2790-A2823 HydrophobicContact CD1-CB 4.48Å; I2790-L2879 HydrophobicContact CD1-CD1 3.82Å; I2790-L2879 HydrophobicContact CD1-CD2 4.08Å; I2790-L2879 HydrophobicContact CD1-CG 4.45Å; I2790-L2879 HydrophobicContact CG1-CD1 4.1Å; I2790-L2879 HydrophobicContact CG1-CD2 4.29Å; I2790-L2879 HydrophobicContact CG2-CD2 3.76Å |
| 2791 | C | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -53 | -48.3 | 174.7 | -178 | 0 | 0 | 0 | 0 | 112.2 | S2787 S2788 L2789 Q2793 T2794 M2829 S2830 L2833 | S2787-C2791 WeakPolarHBondContact O-CB 3.36Å; S2787-C2791 PolarHBondContact O-N 3.07Å; S2788-C2791 WeakPolarHBondContact O-CB 3.29Å; S2788-C2791 PolarHBondContact O-N 3.28Å; L2789-C2791 VanDerWaalsContact C-N 3.34Å; C2791-Q2793 VanDerWaalsContact C-N 3.28Å; C2791-Q2793 PolarHBondContact O-N 3.22Å; C2791-T2794 WeakPolarHBondContact O-CB 3.25Å; C2791-T2794 PolarHBondContact O-N 3.04Å; C2791-T2794 PolarHBondContact O-OG1 3.1Å; C2791-M2829 HydrophobicContact CB-CB 3.95Å; C2791-M2829 HydrophobicContact CB-CE 4.23Å; C2791-M2829 HydrophobicContact CB-CG 3.88Å; C2791-M2829 HydrophobicContact CB-SD 3.97Å; C2791-M2829 VanDerWaalsContact SG-C 3.53Å; C2791-M2829 PolarHBondContact SG-O 3.15Å; C2791-M2829 VanDerWaalsContact SG-O 3.36Å; C2791-S2830 WeakPolarHBondContact CA-OG 3.24Å; C2791-L2833 VanDerWaalsContact SG-CB 3.56Å; C2791-L2833 WeakPolarHBondContact SG-CB 3.44Å; C2791-L2833 VanDerWaalsContact SG-CD2 3.56Å |
| 2792 | L | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70 | -14.7 | 179.1 | -68.7 | 177.6 | 0 | 0 | 0 | 114.5 | I2756 R2764 L2768 S2788 L2789 I2790 T2794 D2795 I2800 R2801 A2804 L2833 | I2756-L2792 HydrophobicContact CD1-CD1 4.02Å; I2756-L2792 HydrophobicContact CG2-CD2 4.38Å; I2756-L2792 HydrophobicContact CG2-CG 4.37Å; R2764-L2792 HydrophobicContact CB-CD2 4.14Å; R2764-L2792 HydrophobicContact CG-CD2 4.44Å; L2768-L2792 HydrophobicContact CB-CD1 4.06Å; L2768-L2792 HydrophobicContact CD1-CD1 4.05Å; L2768-L2792 HydrophobicContact CD2-CD1 4.4Å; L2768-L2792 HydrophobicContact CG-CD1 4.39Å; S2788-L2792 WeakPolarHBondContact O-CB 3.38Å; S2788-L2792 VanDerWaalsContact O-CG 3.3Å; S2788-L2792 WeakPolarHBondContact O-CG 3.47Å; S2788-L2792 PolarHBondContact O-N 3.13Å; L2789-L2792 PolarHBondContact O-N 3.24Å; I2790-L2792 VanDerWaalsContact C-N 3.32Å; I2790-L2792 PolarHBondContact O-N 3.07Å; L2792-T2794 PolarHBondContact O-N 3.13Å; L2792-D2795 WeakPolarHBondContact O-CB 3.3Å; L2792-D2795 PolarHBondContact O-N 3.08Å; L2792-I2800 HydrophobicContact CB-CG2 4.06Å; L2792-I2800 HydrophobicContact CD1-CG2 4.25Å; L2792-I2800 HydrophobicContact CD2-CG2 3.98Å; L2792-I2800 HydrophobicContact CG-CG2 4.38Å; L2792-R2801 WeakPolarHBondContact O-CA 3.42Å; L2792-A2804 HydrophobicContact CB-CB 3.72Å; L2792-L2833 HydrophobicContact CD2-CD2 4.25Å |
| 2793 | Q | 94.8 | Very high | 93.8 | Very high | 17.2 Ų | 17.2 | 29.6 Ų | 29.6 | 8% | 0.08 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -15.3 | 167 | -63.5 | -171.2 | -60.5 | 0 | 0 | 112.4 | L2789 I2790 C2791 R2801 A2804 S2805 L2879 | L2789-Q2793 WeakPolarHBondContact O-CG 3.37Å; L2789-Q2793 PolarHBondContact O-N 3.12Å; L2789-Q2793 VanDerWaalsContact O-N 3.11Å; I2790-Q2793 VanDerWaalsContact O-CB 3.3Å; I2790-Q2793 WeakPolarHBondContact O-CB 3.39Å; I2790-Q2793 PolarHBondContact O-N 3.22Å; I2790-Q2793 VanDerWaalsContact O-N 3.11Å; C2791-Q2793 VanDerWaalsContact C-N 3.28Å; C2791-Q2793 PolarHBondContact O-N 3.22Å; Q2793-R2801 WeakPolarHBondContact O-CD 3.33Å; Q2793-R2801 VanDerWaalsContact O-CG 3.27Å; Q2793-R2801 WeakPolarHBondContact O-CG 3.36Å; Q2793-A2804 HydrophobicContact CG-CB 4.33Å; Q2793-S2805 PolarHBondContact NE2-OG 3.09Å; Q2793-L2879 VanDerWaalsContact OE1-N 3.1Å |
| 2794 | T | 93.1 | Very high | 94 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -3.4 | -177.8 | 76.5 | 0 | 0 | 0 | 0 | 114.4 | C2791 L2792 S2830 Q2834 I2875 N2876 | C2791-T2794 WeakPolarHBondContact O-CB 3.25Å; C2791-T2794 PolarHBondContact O-N 3.04Å; C2791-T2794 PolarHBondContact O-OG1 3.1Å; L2792-T2794 PolarHBondContact O-N 3.13Å; T2794-S2830 WeakPolarHBondContact CG2-OG 3.27Å; T2794-Q2834 PolarHBondContact O-NE2 3.09Å; T2794-Q2834 PolarHBondContact OG1-NE2 3.01Å; T2794-Q2834 VanDerWaalsContact OG1-NE2 3.11Å; T2794-I2875 VanDerWaalsContact CB-CG2 3.41Å; T2794-I2875 HydrophobicContact CG2-CG2 3.55Å; T2794-I2875 VanDerWaalsContact CG2-CG2 3.48Å; T2794-N2876 VanDerWaalsContact CG2-OD1 3.26Å; T2794-N2876 WeakPolarHBondContact CG2-OD1 3.37Å |
| 2795 | D | 93.5 | Very high | 94.2 | Very high | 1.2 Ų | 1.2 | 25.7 Ų | 25.7 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | trans | -52.8 | 151.5 | -175.3 | -157.4 | -59.8 | 0 | 0 | 0 | 113.3 | R2764 L2792 D2797 I2800 R2801 | R2764-D2795 WeakPolarHBondContact CD-OD2 3.02Å; R2764-D2795 IonicContact CZ-OD1 3.02Å; R2764-D2795 IonicContact CZ-OD2 3.4Å; R2764-D2795 VanDerWaalsContact CZ-OD2 3.3Å; R2764-D2795 IonicContact NE-OD1 3.51Å; R2764-D2795 IonicContact NE-OD2 3.15Å; R2764-D2795 PolarHBondContact NE-OD2 3.22Å; R2764-D2795 VanDerWaalsContact NH2-CG 3.29Å; R2764-D2795 IonicContact NH2-OD1 3.22Å; R2764-D2795 PolarHBondContact NH2-OD1 3.1Å; R2764-D2795 IonicContact NH2-OD2 3.5Å; R2764-D2795 PolarHBondContact NH2-OD2 3.27Å; L2792-D2795 WeakPolarHBondContact O-CB 3.3Å; L2792-D2795 PolarHBondContact O-N 3.08Å; D2795-D2797 VanDerWaalsContact C-N 3.29Å; D2795-D2797 PolarHBondContact O-N 2.88Å; D2795-D2797 PolarHBondContact OD1-N 3.21Å; D2795-I2800 HydrophobicContact CB-CB 4.03Å; D2795-I2800 HydrophobicContact CB-CD1 4.44Å; D2795-I2800 HydrophobicContact CB-CG2 3.73Å; D2795-I2800 VanDerWaalsContact OD2-CD1 3.32Å; D2795-I2800 WeakPolarHBondContact OD2-CD1 3.33Å; D2795-I2800 WeakPolarHBondContact OD2-CG2 3.33Å; D2795-R2801 HydrophobicContact CB-CG 4.11Å; D2795-R2801 WeakPolarHBondContact O-CD 3.25Å; D2795-R2801 VanDerWaalsContact O-CG 3.23Å; D2795-R2801 WeakPolarHBondContact O-CG 3.37Å; D2795-R2801 PolarHBondContact O-NH1 3.32Å | ||
| 2796 | S | 89 | Confident | 94.1 | Very high | 63 Ų | 63 | 29.4 Ų | 29.4 | 44% | 0.441 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -57.4 | -37.2 | 168.7 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | R2764 P2798 R2801 | R2764-S2796 PolarHBondContact NH2-OG 2.86Å; S2796-P2798 WeakPolarHBondContact O-CD 3.21Å; S2796-R2801 VanDerWaalsContact C-NH1 3.26Å; S2796-R2801 PolarHBondContact O-NH1 3.09Å |
| 2797 | D | 90.7 | Very high | 94.1 | Very high | 44.8 Ų | 44.8 | 29.9 Ų | 29.9 | 24% | 0.24 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -82.5 | 120.5 | -178.9 | 175.2 | 16.5 | 0 | 0 | 0 | 112.4 | T2761 D2795 S2799 I2800 R2801 | T2761-D2797 HydrophobicContact CG2-CB 3.78Å; D2795-D2797 VanDerWaalsContact C-N 3.29Å; D2795-D2797 PolarHBondContact O-N 2.88Å; D2795-D2797 PolarHBondContact OD1-N 3.21Å; D2797-S2799 VanDerWaalsContact CG-N 3.31Å; D2797-S2799 VanDerWaalsContact CG-OG 3.24Å; D2797-S2799 PolarHBondContact O-N 3.15Å; D2797-S2799 VanDerWaalsContact O-N 3.16Å; D2797-S2799 VanDerWaalsContact OD1-CB 3.3Å; D2797-S2799 WeakPolarHBondContact OD1-CB 3.36Å; D2797-S2799 PolarHBondContact OD1-N 3.12Å; D2797-S2799 PolarHBondContact OD1-OG 3.08Å; D2797-S2799 WeakPolarHBondContact OD2-CB 3.27Å; D2797-S2799 PolarHBondContact OD2-N 2.85Å; D2797-S2799 PolarHBondContact OD2-OG 3.14Å; D2797-I2800 HydrophobicContact CB-CB 4.4Å; D2797-I2800 HydrophobicContact CB-CD1 4.1Å; D2797-I2800 HydrophobicContact CB-CG1 4.21Å; D2797-I2800 PolarHBondContact O-N 2.8Å; D2797-I2800 WeakPolarHBondContact OD2-CG1 3.41Å; D2797-I2800 PolarHBondContact OD2-N 2.87Å; D2797-I2800 VanDerWaalsContact OD2-N 3.15Å; D2797-R2801 VanDerWaalsContact C-NH1 3.32Å; D2797-R2801 WeakPolarHBondContact O-CG 3.15Å; D2797-R2801 PolarHBondContact O-N 2.98Å; D2797-R2801 VanDerWaalsContact O-N 3.1Å; D2797-R2801 PolarHBondContact O-NH1 3.21Å |
| 2798 | P | 89.9 | Confident | 94 | Very high | 78.6 Ų | 78.6 | 29.6 Ų | 29.6 | 51% | 0.51 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -56.9 | -28.5 | 174.1 | 6.1 | -9 | 0 | 0 | 0 | 114.3 | S2796 S2802 | S2796-P2798 WeakPolarHBondContact O-CD 3.21Å; P2798-S2802 VanDerWaalsContact O-CB 3.31Å; P2798-S2802 WeakPolarHBondContact O-CB 3.3Å; P2798-S2802 PolarHBondContact O-N 3.16Å; P2798-S2802 VanDerWaalsContact O-N 3.12Å; P2798-S2802 PolarHBondContact O-OG 3.29Å |
| 2799 | S | 90.9 | Very high | 93.8 | Very high | 50.4 Ų | 50.4 | 33.1 Ų | 33.1 | 35% | 0.352 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -68.1 | -43.1 | 179.7 | 112.4 | 0 | 0 | 0 | 0 | 111.7 | D2797 S2802 R2803 | D2797-S2799 VanDerWaalsContact CG-N 3.31Å; D2797-S2799 VanDerWaalsContact CG-OG 3.24Å; D2797-S2799 PolarHBondContact O-N 3.15Å; D2797-S2799 VanDerWaalsContact O-N 3.16Å; D2797-S2799 VanDerWaalsContact OD1-CB 3.3Å; D2797-S2799 WeakPolarHBondContact OD1-CB 3.36Å; D2797-S2799 PolarHBondContact OD1-N 3.12Å; D2797-S2799 PolarHBondContact OD1-OG 3.08Å; D2797-S2799 WeakPolarHBondContact OD2-CB 3.27Å; D2797-S2799 PolarHBondContact OD2-N 2.85Å; D2797-S2799 PolarHBondContact OD2-OG 3.14Å; S2799-S2802 PolarHBondContact O-N 2.69Å; S2799-S2802 PolarHBondContact O-OG 2.93Å; S2799-S2802 VanDerWaalsContact O-OG 3.1Å; S2799-R2803 WeakPolarHBondContact O-CB 3.36Å; S2799-R2803 VanDerWaalsContact O-CD 3.31Å; S2799-R2803 WeakPolarHBondContact O-CD 3.24Å; S2799-R2803 WeakPolarHBondContact O-CG 3.4Å; S2799-R2803 PolarHBondContact O-N 3.17Å; S2799-R2803 VanDerWaalsContact O-N 3.13Å |
| 2800 | I | 95 | Very high | 93.6 | Very high | 0.2 Ų | 0.2 | 37.1 Ų | 37.1 | 0% | 0.001 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.4 | -50.6 | 174 | -65.8 | 174 | 0 | 0 | 0 | 110.3 | T2761 R2764 L2768 L2792 D2795 D2797 S2802 R2803 A2804 | T2761-I2800 HydrophobicContact CG2-CD1 3.73Å; R2764-I2800 VanDerWaalsContact C-CD1 3.45Å; R2764-I2800 HydrophobicContact CB-CD1 3.98Å; R2764-I2800 HydrophobicContact CB-CG1 4.46Å; R2764-I2800 WeakPolarHBondContact O-CD1 3.39Å; R2764-I2800 WeakPolarHBondContact O-CG1 3.18Å; R2764-I2800 WeakPolarHBondContact O-CG2 3.41Å; L2768-I2800 HydrophobicContact CD2-CB 4.49Å; L2768-I2800 HydrophobicContact CD2-CG2 3.95Å; L2792-I2800 HydrophobicContact CB-CG2 4.06Å; L2792-I2800 HydrophobicContact CD1-CG2 4.25Å; L2792-I2800 HydrophobicContact CD2-CG2 3.98Å; L2792-I2800 HydrophobicContact CG-CG2 4.38Å; D2795-I2800 HydrophobicContact CB-CB 4.03Å; D2795-I2800 HydrophobicContact CB-CD1 4.44Å; D2795-I2800 HydrophobicContact CB-CG2 3.73Å; D2795-I2800 VanDerWaalsContact OD2-CD1 3.32Å; D2795-I2800 WeakPolarHBondContact OD2-CD1 3.33Å; D2795-I2800 WeakPolarHBondContact OD2-CG2 3.33Å; D2797-I2800 HydrophobicContact CB-CB 4.4Å; D2797-I2800 HydrophobicContact CB-CD1 4.1Å; D2797-I2800 HydrophobicContact CB-CG1 4.21Å; D2797-I2800 PolarHBondContact O-N 2.8Å; D2797-I2800 WeakPolarHBondContact OD2-CG1 3.41Å; D2797-I2800 PolarHBondContact OD2-N 2.87Å; D2797-I2800 VanDerWaalsContact OD2-N 3.15Å; I2800-S2802 VanDerWaalsContact C-N 3.31Å; I2800-S2802 PolarHBondContact O-N 3.1Å; I2800-R2803 PolarHBondContact O-N 3.24Å; I2800-R2803 VanDerWaalsContact O-N 3.11Å; I2800-A2804 WeakPolarHBondContact O-CB 3.39Å; I2800-A2804 PolarHBondContact O-N 3.11Å |
| 2801 | R | 94.6 | Very high | 93.4 | Very high | 88.75 Ų | 88.75 | 37.5 Ų | 37.5 | 34% | 0.335 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -54.7 | -45.5 | -179.4 | -66.1 | -162.7 | -62.5 | -81.1 | 6 | 112.6 | L2792 Q2793 D2795 S2796 D2797 S2805 | L2792-R2801 WeakPolarHBondContact O-CA 3.42Å; Q2793-R2801 WeakPolarHBondContact O-CD 3.33Å; Q2793-R2801 VanDerWaalsContact O-CG 3.27Å; Q2793-R2801 WeakPolarHBondContact O-CG 3.36Å; D2795-R2801 HydrophobicContact CB-CG 4.11Å; D2795-R2801 WeakPolarHBondContact O-CD 3.25Å; D2795-R2801 VanDerWaalsContact O-CG 3.23Å; D2795-R2801 WeakPolarHBondContact O-CG 3.37Å; D2795-R2801 PolarHBondContact O-NH1 3.32Å; S2796-R2801 VanDerWaalsContact C-NH1 3.26Å; S2796-R2801 PolarHBondContact O-NH1 3.09Å; D2797-R2801 VanDerWaalsContact C-NH1 3.32Å; D2797-R2801 WeakPolarHBondContact O-CG 3.15Å; D2797-R2801 PolarHBondContact O-N 2.98Å; D2797-R2801 VanDerWaalsContact O-N 3.1Å; D2797-R2801 PolarHBondContact O-NH1 3.21Å; R2801-S2805 WeakPolarHBondContact O-CB 3.32Å; R2801-S2805 PolarHBondContact O-N 3.37Å; R2801-S2805 PolarHBondContact O-OG 3.01Å |
| 2802 | S | 92.9 | Very high | 93.1 | Very high | 65 Ų | 65 | 38.6 Ų | 38.6 | 46% | 0.455 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67.2 | -45.1 | -179.4 | 119.2 | 0 | 0 | 0 | 0 | 112.1 | P2798 S2799 I2800 A2804 S2805 V2806 | P2798-S2802 VanDerWaalsContact O-CB 3.31Å; P2798-S2802 WeakPolarHBondContact O-CB 3.3Å; P2798-S2802 PolarHBondContact O-N 3.16Å; P2798-S2802 VanDerWaalsContact O-N 3.12Å; P2798-S2802 PolarHBondContact O-OG 3.29Å; S2799-S2802 PolarHBondContact O-N 2.69Å; S2799-S2802 PolarHBondContact O-OG 2.93Å; S2799-S2802 VanDerWaalsContact O-OG 3.1Å; I2800-S2802 VanDerWaalsContact C-N 3.31Å; I2800-S2802 PolarHBondContact O-N 3.1Å; S2802-A2804 PolarHBondContact O-N 3.17Å; S2802-S2805 PolarHBondContact O-N 3.3Å; S2802-V2806 WeakPolarHBondContact O-CG2 3.32Å; S2802-V2806 PolarHBondContact O-N 3.26Å; S2802-V2806 VanDerWaalsContact O-N 3.12Å |
| 2803 | R | 94.4 | Very high | 92.8 | Very high | 72.5 Ų | 72.5 | 47 Ų | 47 | 27% | 0.274 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 177.3 | -72.3 | 174.1 | 65 | -157.8 | -1.8 | 112.1 | S2765 L2768 S2769 S2799 I2800 S2805 V2806 C2807 | S2765-R2803 VanDerWaalsContact O-CZ 3.25Å; S2765-R2803 PolarHBondContact O-NH1 3.15Å; S2765-R2803 PolarHBondContact O-NH2 2.88Å; S2765-R2803 PolarHBondContact OG-NH1 3.21Å; S2765-R2803 VanDerWaalsContact OG-NH1 3.12Å; L2768-R2803 HydrophobicContact CD2-CB 3.76Å; S2769-R2803 VanDerWaalsContact CA-NH2 3.3Å; S2769-R2803 PolarHBondContact OG-NH1 3.4Å; S2769-R2803 PolarHBondContact OG-NH2 3.08Å; S2799-R2803 WeakPolarHBondContact O-CB 3.36Å; S2799-R2803 VanDerWaalsContact O-CD 3.31Å; S2799-R2803 WeakPolarHBondContact O-CD 3.24Å; S2799-R2803 WeakPolarHBondContact O-CG 3.4Å; S2799-R2803 PolarHBondContact O-N 3.17Å; S2799-R2803 VanDerWaalsContact O-N 3.13Å; I2800-R2803 PolarHBondContact O-N 3.24Å; I2800-R2803 VanDerWaalsContact O-N 3.11Å; R2803-S2805 VanDerWaalsContact C-N 3.33Å; R2803-S2805 PolarHBondContact O-N 3.03Å; R2803-V2806 PolarHBondContact O-N 3.21Å; R2803-C2807 PolarHBondContact O-N 3.2Å; R2803-C2807 VanDerWaalsContact O-N 3.1Å; R2803-C2807 PolarHBondContact O-SG 3.25Å; R2803-C2807 VanDerWaalsContact O-SG 3.36Å |
| 2804 | A | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L2768 L2789 L2792 Q2793 I2800 S2802 C2807 L2808 | L2768-A2804 HydrophobicContact CD1-CB 4.26Å; L2768-A2804 HydrophobicContact CD2-CB 4.16Å; L2789-A2804 HydrophobicContact CD2-CB 4.45Å; L2792-A2804 HydrophobicContact CB-CB 3.72Å; Q2793-A2804 HydrophobicContact CG-CB 4.33Å; I2800-A2804 WeakPolarHBondContact O-CB 3.39Å; I2800-A2804 PolarHBondContact O-N 3.11Å; S2802-A2804 PolarHBondContact O-N 3.17Å; A2804-C2807 PolarHBondContact O-N 3.13Å; A2804-L2808 WeakPolarHBondContact O-CB 3.4Å; A2804-L2808 PolarHBondContact O-N 3.21Å |
| 2805 | S | 94.3 | Very high | 92.3 | Very high | 38.25 Ų | 38.25 | 53.6 Ų | 53.6 | 27% | 0.267 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 176.2 | -79.4 | 0 | 0 | 0 | 0 | 112.9 | Q2793 R2801 S2802 R2803 L2808 T2809 | Q2793-S2805 PolarHBondContact NE2-OG 3.09Å; R2801-S2805 WeakPolarHBondContact O-CB 3.32Å; R2801-S2805 PolarHBondContact O-N 3.37Å; R2801-S2805 PolarHBondContact O-OG 3.01Å; S2802-S2805 PolarHBondContact O-N 3.3Å; R2803-S2805 VanDerWaalsContact C-N 3.33Å; R2803-S2805 PolarHBondContact O-N 3.03Å; S2805-L2808 PolarHBondContact O-N 3.33Å; S2805-T2809 WeakPolarHBondContact O-CB 3.33Å; S2805-T2809 PolarHBondContact O-N 3.19Å; S2805-T2809 VanDerWaalsContact O-N 3.08Å; S2805-T2809 PolarHBondContact O-OG1 3.16Å; S2805-T2809 VanDerWaalsContact O-OG1 3.06Å |
| 2806 | V | 93.7 | Very high | 92.1 | Very high | 81.25 Ų | 81.25 | 57.5 Ų | 57.5 | 49% | 0.492 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.2 | -49.4 | 175.1 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | S2802 R2803 L2808 T2809 E2810 | S2802-V2806 WeakPolarHBondContact O-CG2 3.32Å; S2802-V2806 PolarHBondContact O-N 3.26Å; S2802-V2806 VanDerWaalsContact O-N 3.12Å; R2803-V2806 PolarHBondContact O-N 3.21Å; V2806-L2808 VanDerWaalsContact C-N 3.34Å; V2806-L2808 PolarHBondContact O-N 3.05Å; V2806-T2809 PolarHBondContact O-N 3.16Å; V2806-T2809 VanDerWaalsContact O-N 3.16Å; V2806-E2810 HydrophobicContact CG1-CG 4.45Å; V2806-E2810 WeakPolarHBondContact CG1-OE1 2.95Å; V2806-E2810 WeakPolarHBondContact O-CB 3.5Å; V2806-E2810 WeakPolarHBondContact O-CG 3.42Å; V2806-E2810 PolarHBondContact O-N 3.15Å |
| 2807 | C | 94.1 | Very high | 92 | Very high | 10.5 Ų | 10.5 | 54.8 Ų | 54.8 | 7% | 0.071 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 178.1 | -69.2 | 0 | 0 | 0 | 0 | 112.4 | S2772 L2775 L2789 R2803 A2804 E2810 V2811 | S2772-C2807 PolarHBondContact OG-SG 2.97Å; S2772-C2807 VanDerWaalsContact OG-SG 3.4Å; L2775-C2807 HydrophobicContact CD1-CB 4.49Å; L2789-C2807 HydrophobicContact CD1-CB 4.13Å; L2789-C2807 HydrophobicContact CD2-CB 3.88Å; L2789-C2807 HydrophobicContact CG-CB 4.48Å; R2803-C2807 PolarHBondContact O-N 3.2Å; R2803-C2807 VanDerWaalsContact O-N 3.1Å; R2803-C2807 PolarHBondContact O-SG 3.25Å; R2803-C2807 VanDerWaalsContact O-SG 3.36Å; A2804-C2807 PolarHBondContact O-N 3.13Å; C2807-E2810 PolarHBondContact O-N 3.12Å; C2807-V2811 WeakPolarHBondContact O-CG2 3.33Å; C2807-V2811 PolarHBondContact O-N 3.14Å; C2807-V2811 VanDerWaalsContact O-N 3.11Å |
| 2808 | L | 94.7 | Very high | 92 | Very high | 0.25 Ų | 0.25 | 55.3 Ų | 55.3 | 0% | 0.001 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65 | -43.5 | 178.1 | -173 | 66.9 | 0 | 0 | 0 | 111.8 | L2786 L2789 I2790 A2804 S2805 V2806 E2810 V2811 E2812 A2819 L2879 M2882 | L2786-L2808 HydrophobicContact CD2-CD1 3.5Å; L2786-L2808 VanDerWaalsContact CD2-CD1 3.44Å; L2789-L2808 HydrophobicContact CB-CB 4.4Å; L2789-L2808 HydrophobicContact CB-CD1 4.21Å; L2789-L2808 HydrophobicContact CD1-CB 4.44Å; L2789-L2808 HydrophobicContact CD1-CD1 4.4Å; I2790-L2808 HydrophobicContact CD1-CD2 4.47Å; I2790-L2808 HydrophobicContact CG1-CD1 4.21Å; I2790-L2808 HydrophobicContact CG1-CD2 3.73Å; A2804-L2808 WeakPolarHBondContact O-CB 3.4Å; A2804-L2808 PolarHBondContact O-N 3.21Å; S2805-L2808 PolarHBondContact O-N 3.33Å; V2806-L2808 VanDerWaalsContact C-N 3.34Å; V2806-L2808 PolarHBondContact O-N 3.05Å; L2808-E2810 VanDerWaalsContact C-N 3.34Å; L2808-E2810 PolarHBondContact O-N 3.03Å; L2808-V2811 PolarHBondContact O-N 3.18Å; L2808-E2812 WeakPolarHBondContact O-CB 3.09Å; L2808-E2812 PolarHBondContact O-N 3.29Å; L2808-A2819 HydrophobicContact CD1-CB 4.28Å; L2808-L2879 HydrophobicContact CD2-CD1 4.42Å; L2808-M2882 HydrophobicContact CD1-CE 4.46Å; L2808-M2882 HydrophobicContact CD2-CE 3.88Å; L2808-M2882 HydrophobicContact CD2-SD 4.32Å; L2808-M2882 HydrophobicContact CG-CE 3.88Å; L2808-M2882 HydrophobicContact CG-SD 4.1Å |
| 2809 | T | 92.6 | Very high | 92.1 | Very high | 76.25 Ų | 76.25 | 51.5 Ų | 51.5 | 47% | 0.468 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 177.2 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | S2805 V2806 R2813 | S2805-T2809 WeakPolarHBondContact O-CB 3.33Å; S2805-T2809 PolarHBondContact O-N 3.19Å; S2805-T2809 VanDerWaalsContact O-N 3.08Å; S2805-T2809 PolarHBondContact O-OG1 3.16Å; S2805-T2809 VanDerWaalsContact O-OG1 3.06Å; V2806-T2809 PolarHBondContact O-N 3.16Å; V2806-T2809 VanDerWaalsContact O-N 3.16Å; T2809-R2813 VanDerWaalsContact O-CB 3.3Å; T2809-R2813 WeakPolarHBondContact O-CB 3.41Å; T2809-R2813 PolarHBondContact O-N 3.12Å |
| 2810 | E | 91.5 | Very high | 92.1 | Very high | 85.75 Ų | 85.75 | 49.7 Ų | 49.7 | 40% | 0.401 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 174.8 | -98 | -171.7 | -171.8 | 0 | 0 | 112.6 | V2806 C2807 L2808 R2813 K2814 | V2806-E2810 HydrophobicContact CG1-CG 4.45Å; V2806-E2810 WeakPolarHBondContact CG1-OE1 2.95Å; V2806-E2810 WeakPolarHBondContact O-CB 3.5Å; V2806-E2810 WeakPolarHBondContact O-CG 3.42Å; V2806-E2810 PolarHBondContact O-N 3.15Å; C2807-E2810 PolarHBondContact O-N 3.12Å; L2808-E2810 VanDerWaalsContact C-N 3.34Å; L2808-E2810 PolarHBondContact O-N 3.03Å; E2810-R2813 PolarHBondContact O-N 3.43Å; E2810-K2814 HydrophobicContact CG-CD 4.46Å; E2810-K2814 WeakPolarHBondContact O-CD 3.36Å; E2810-K2814 WeakPolarHBondContact O-CG 3.17Å; E2810-K2814 PolarHBondContact O-N 3.06Å; E2810-K2814 VanDerWaalsContact O-N 3.1Å; E2810-K2814 WeakPolarHBondContact OE1-CE 3.48Å; E2810-K2814 IonicContact OE1-NZ 2.7Å; E2810-K2814 PolarHBondContact OE1-NZ 3.15Å; E2810-K2814 IonicContact OE2-NZ 3.11Å; E2810-K2814 PolarHBondContact OE2-NZ 3.48Å |
| 2811 | V | 92.4 | Very high | 91.9 | Very high | 7.5 Ų | 7.5 | 56.2 Ų | 56.2 | 5% | 0.045 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.9 | -48.8 | 176.6 | 173.1 | 0 | 0 | 0 | 0 | 111 | L2775 P2782 L2786 L2789 C2807 L2808 R2813 K2814 I2815 | L2775-V2811 HydrophobicContact CD1-CG2 3.95Å; L2775-V2811 HydrophobicContact CD2-CG2 4.09Å; L2775-V2811 HydrophobicContact CG-CG2 4.47Å; P2782-V2811 HydrophobicContact CB-CB 4.35Å; P2782-V2811 HydrophobicContact CB-CG1 3.56Å; P2782-V2811 HydrophobicContact CB-CG2 4.18Å; P2782-V2811 HydrophobicContact CG-CG1 4.19Å; P2782-V2811 HydrophobicContact CG-CG2 4.47Å; L2786-V2811 HydrophobicContact CD2-CB 4.35Å; L2786-V2811 HydrophobicContact CD2-CG1 3.76Å; L2786-V2811 HydrophobicContact CG-CG1 4.33Å; L2789-V2811 HydrophobicContact CD1-CG2 4.46Å; C2807-V2811 WeakPolarHBondContact O-CG2 3.33Å; C2807-V2811 PolarHBondContact O-N 3.14Å; C2807-V2811 VanDerWaalsContact O-N 3.11Å; L2808-V2811 PolarHBondContact O-N 3.18Å; V2811-R2813 VanDerWaalsContact C-N 3.27Å; V2811-R2813 PolarHBondContact O-N 2.95Å; V2811-K2814 CarbonylContact O-C 3.53Å; V2811-K2814 WeakPolarHBondContact O-CA 3.41Å; V2811-K2814 WeakPolarHBondContact O-CB 3.19Å; V2811-K2814 PolarHBondContact O-N 2.83Å; V2811-I2815 PolarHBondContact O-N 3Å |
| 2812 | E | 91.7 | Very high | 91.9 | Very high | 22.25 Ų | 22.25 | 56 Ų | 56 | 10% | 0.104 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.8 | -32.4 | 178.6 | -174.6 | 65.6 | -167.1 | 0 | 0 | 111.7 | L2808 K2814 I2815 P2816 G2817 F2818 A2819 M2882 | L2808-E2812 WeakPolarHBondContact O-CB 3.09Å; L2808-E2812 PolarHBondContact O-N 3.29Å; E2812-K2814 VanDerWaalsContact C-N 3.34Å; E2812-I2815 CarbonylContact O-C 3.52Å; E2812-P2816 VanDerWaalsContact O-CA 3.25Å; E2812-P2816 WeakPolarHBondContact O-CA 3.35Å; E2812-P2816 WeakPolarHBondContact O-CG 3.5Å; E2812-P2816 WeakPolarHBondContact OE1-CA 3.23Å; E2812-G2817 VanDerWaalsContact CD-N 3.34Å; E2812-G2817 PolarHBondContact OE1-N 3.02Å; E2812-G2817 PolarHBondContact OE2-N 2.97Å; E2812-F2818 PolarHBondContact OE2-N 3.03Å; E2812-A2819 WeakPolarHBondContact OE2-CB 3.34Å; E2812-A2819 PolarHBondContact OE2-N 3.29Å; E2812-A2819 VanDerWaalsContact OE2-N 3.17Å; E2812-M2882 HydrophobicContact CB-CE 4.02Å; E2812-M2882 HydrophobicContact CB-SD 3.83Å; E2812-M2882 HydrophobicContact CG-CE 4Å; E2812-M2882 HydrophobicContact CG-CG 4.29Å; E2812-M2882 HydrophobicContact CG-SD 4.06Å |
| 2813 | R | 90 | Very high | 92 | Very high | 178.25 Ų | 178.25 | 52.9 Ų | 52.9 | 67% | 0.673 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -69.1 | -31.6 | 172.1 | -168.1 | -164.6 | 63.4 | 71.8 | -4.6 | 113 | T2809 E2810 V2811 | T2809-R2813 VanDerWaalsContact O-CB 3.3Å; T2809-R2813 WeakPolarHBondContact O-CB 3.41Å; T2809-R2813 PolarHBondContact O-N 3.12Å; E2810-R2813 PolarHBondContact O-N 3.43Å; V2811-R2813 VanDerWaalsContact C-N 3.27Å; V2811-R2813 PolarHBondContact O-N 2.95Å |
| 2814 | K | 89.1 | Confident | 92 | Very high | 105.25 Ų | 105.25 | 50.6 Ų | 50.6 | 46% | 0.458 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -80.6 | -39.9 | 177.2 | -75.3 | 172.6 | 179.5 | 175.6 | 0 | 111.8 | L2775 E2810 V2811 E2812 | L2775-K2814 PolarHBondContact O-NZ 3.24Å; L2775-K2814 VanDerWaalsContact O-NZ 3.13Å; E2810-K2814 HydrophobicContact CG-CD 4.46Å; E2810-K2814 WeakPolarHBondContact O-CD 3.36Å; E2810-K2814 WeakPolarHBondContact O-CG 3.17Å; E2810-K2814 PolarHBondContact O-N 3.06Å; E2810-K2814 VanDerWaalsContact O-N 3.1Å; E2810-K2814 WeakPolarHBondContact OE1-CE 3.48Å; E2810-K2814 IonicContact OE1-NZ 2.7Å; E2810-K2814 PolarHBondContact OE1-NZ 3.15Å; E2810-K2814 IonicContact OE2-NZ 3.11Å; E2810-K2814 PolarHBondContact OE2-NZ 3.48Å; V2811-K2814 CarbonylContact O-C 3.53Å; V2811-K2814 WeakPolarHBondContact O-CA 3.41Å; V2811-K2814 WeakPolarHBondContact O-CB 3.19Å; V2811-K2814 PolarHBondContact O-N 2.83Å; E2812-K2814 VanDerWaalsContact C-N 3.34Å |
| 2815 | I | 87.8 | Confident | 91.8 | Very high | 55.5 Ų | 55.5 | 53.1 Ų | 53.1 | 29% | 0.285 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -141 | 85 | -174.7 | -41.2 | 179.9 | 0 | 0 | 0 | 109.4 | P2782 V2811 E2812 F2818 | P2782-I2815 HydrophobicContact CB-CD1 4.47Å; P2782-I2815 HydrophobicContact CG-CD1 3.86Å; V2811-I2815 PolarHBondContact O-N 3Å; E2812-I2815 CarbonylContact O-C 3.52Å; I2815-F2818 HydrophobicContact CB-CD1 4.26Å; I2815-F2818 HydrophobicContact CB-CD2 4.23Å; I2815-F2818 HydrophobicContact CB-CE2 4.47Å; I2815-F2818 HydrophobicContact CB-CG 4.29Å; I2815-F2818 HydrophobicContact CD1-CD1 4.39Å; I2815-F2818 HydrophobicContact CD1-CD2 4.33Å; I2815-F2818 HydrophobicContact CD1-CE1 4.06Å; I2815-F2818 HydrophobicContact CD1-CE2 3.98Å; I2815-F2818 HydrophobicContact CG2-CD1 3.75Å; I2815-F2818 HydrophobicContact CG2-CD2 3.55Å; I2815-F2818 VanDerWaalsContact CG2-CD2 3.41Å; I2815-F2818 HydrophobicContact CG2-CE1 3.75Å; I2815-F2818 HydrophobicContact CG2-CE2 3.58Å; I2815-F2818 VanDerWaalsContact CG2-CE2 3.49Å; I2815-F2818 HydrophobicContact CG2-CG 4.03Å; I2815-F2818 HydrophobicContact CG2-CZ 4.06Å |
| 2816 | P | 88.5 | Confident | 91.9 | Very high | 83 Ų | 83 | 51.3 Ų | 51.3 | 54% | 0.539 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 149.9 | -175.7 | 0.7 | 0.2 | 0 | 0 | 0 | 113.7 | E2812 F2818 | E2812-P2816 VanDerWaalsContact O-CA 3.25Å; E2812-P2816 WeakPolarHBondContact O-CA 3.35Å; E2812-P2816 WeakPolarHBondContact O-CG 3.5Å; E2812-P2816 WeakPolarHBondContact OE1-CA 3.23Å; P2816-F2818 VanDerWaalsContact C-N 3.29Å; P2816-F2818 PolarHBondContact O-N 3.25Å |
| 2817 | G | 87.7 | Confident | 92 | Very high | 6.75 Ų | 6.75 | 47.5 Ų | 47.5 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | -16.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | E2812 A2819 A2820 M2821 Y2889 | E2812-G2817 VanDerWaalsContact CD-N 3.34Å; E2812-G2817 PolarHBondContact OE1-N 3.02Å; E2812-G2817 PolarHBondContact OE2-N 2.97Å; G2817-A2819 VanDerWaalsContact C-N 3.31Å; G2817-A2819 PolarHBondContact O-N 3.09Å; G2817-A2820 WeakPolarHBondContact O-CB 3.36Å; G2817-A2820 PolarHBondContact O-N 3.17Å; G2817-A2820 VanDerWaalsContact O-N 3.1Å; G2817-M2821 PolarHBondContact O-N 3.02Å; G2817-M2821 VanDerWaalsContact O-N 3.13Å; G2817-Y2889 VanDerWaalsContact CA-CE2 3.47Å; G2817-Y2889 WeakPolarHBondContact CA-OH 3.34Å |
| 2818 | F | 90.6 | Very high | 91.9 | Very high | 54.5 Ų | 54.5 | 50.3 Ų | 50.3 | 24% | 0.239 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.4 | -36.5 | 177.8 | -87.6 | -97.8 | 0 | 0 | 0 | 112.1 | H2781 P2782 L2786 E2812 I2815 P2816 A2820 M2821 R2822 | H2781-F2818 AromaticContact CE1-CE1 3.72Å; H2781-F2818 VanDerWaalsContact CE1-CE1 3.41Å; H2781-F2818 WeakPolarHBondContact CE1-CE1 3.42Å; H2781-F2818 AromaticContact CE1-CE2 3.4Å; H2781-F2818 WeakPolarHBondContact CE1-CE2 3.18Å; H2781-F2818 AromaticContact CE1-CZ 3.77Å; H2781-F2818 AromaticContact NE2-CE1 3.44Å; H2781-F2818 WeakPolarHBondContact NE2-CE1 3.38Å; H2781-F2818 AromaticContact NE2-CE2 3.44Å; H2781-F2818 WeakPolarHBondContact NE2-CE2 3.46Å; H2781-F2818 AromaticContact NE2-CZ 3.67Å; P2782-F2818 HydrophobicContact CG-CD1 4.17Å; P2782-F2818 HydrophobicContact CG-CD2 4.12Å; P2782-F2818 HydrophobicContact CG-CE1 4.26Å; P2782-F2818 HydrophobicContact CG-CE2 4.13Å; L2786-F2818 VanDerWaalsContact CD1-C 3.45Å; L2786-F2818 HydrophobicContact CD1-CB 3.76Å; L2786-F2818 WeakPolarHBondContact CD1-O 3.46Å; E2812-F2818 PolarHBondContact OE2-N 3.03Å; I2815-F2818 HydrophobicContact CB-CD1 4.26Å; I2815-F2818 HydrophobicContact CB-CD2 4.23Å; I2815-F2818 HydrophobicContact CB-CE2 4.47Å; I2815-F2818 HydrophobicContact CB-CG 4.29Å; I2815-F2818 HydrophobicContact CD1-CD1 4.39Å; I2815-F2818 HydrophobicContact CD1-CD2 4.33Å; I2815-F2818 HydrophobicContact CD1-CE1 4.06Å; I2815-F2818 HydrophobicContact CD1-CE2 3.98Å; I2815-F2818 HydrophobicContact CG2-CD1 3.75Å; I2815-F2818 HydrophobicContact CG2-CD2 3.55Å; I2815-F2818 VanDerWaalsContact CG2-CD2 3.41Å; I2815-F2818 HydrophobicContact CG2-CE1 3.75Å; I2815-F2818 HydrophobicContact CG2-CE2 3.58Å; I2815-F2818 VanDerWaalsContact CG2-CE2 3.49Å; I2815-F2818 HydrophobicContact CG2-CG 4.03Å; I2815-F2818 HydrophobicContact CG2-CZ 4.06Å; P2816-F2818 VanDerWaalsContact C-N 3.29Å; P2816-F2818 PolarHBondContact O-N 3.25Å; F2818-A2820 VanDerWaalsContact C-N 3.28Å; F2818-A2820 PolarHBondContact O-N 3.22Å; F2818-M2821 HydrophobicContact CD1-SD 4.33Å; F2818-M2821 HydrophobicContact CE1-SD 4.48Å; F2818-M2821 HydrophobicContact CG-SD 4.5Å; F2818-M2821 PolarHBondContact O-N 3.15Å; F2818-R2822 PolarHBondContact O-N 3.12Å; F2818-R2822 VanDerWaalsContact O-N 3.1Å |
| 2819 | A | 91 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.1 | -35.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L2786 L2808 E2812 G2817 M2821 R2822 A2823 M2882 L2883 | L2786-A2819 HydrophobicContact CD2-CB 4.31Å; L2808-A2819 HydrophobicContact CD1-CB 4.28Å; E2812-A2819 WeakPolarHBondContact OE2-CB 3.34Å; E2812-A2819 PolarHBondContact OE2-N 3.29Å; E2812-A2819 VanDerWaalsContact OE2-N 3.17Å; G2817-A2819 VanDerWaalsContact C-N 3.31Å; G2817-A2819 PolarHBondContact O-N 3.09Å; A2819-M2821 PolarHBondContact O-N 3.13Å; A2819-R2822 CarbonylContact O-C 3.55Å; A2819-R2822 PolarHBondContact O-N 3.11Å; A2819-A2823 WeakPolarHBondContact O-CA 3.36Å; A2819-A2823 VanDerWaalsContact O-CB 3.31Å; A2819-A2823 WeakPolarHBondContact O-CB 3.32Å; A2819-A2823 PolarHBondContact O-N 3.23Å; A2819-M2882 HydrophobicContact CB-CE 3.39Å; A2819-M2882 VanDerWaalsContact CB-CE 3.45Å; A2819-L2883 HydrophobicContact CB-CD2 4.26Å |
| 2820 | A | 91.8 | Very high | 92 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -43 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G2817 F2818 R2822 A2823 L2883 Y2889 | G2817-A2820 WeakPolarHBondContact O-CB 3.36Å; G2817-A2820 PolarHBondContact O-N 3.17Å; G2817-A2820 VanDerWaalsContact O-N 3.1Å; F2818-A2820 VanDerWaalsContact C-N 3.28Å; F2818-A2820 PolarHBondContact O-N 3.22Å; A2820-R2822 VanDerWaalsContact C-N 3.27Å; A2820-R2822 PolarHBondContact O-N 3.25Å; A2820-A2823 WeakPolarHBondContact O-CB 3.35Å; A2820-A2823 PolarHBondContact O-N 3.17Å; A2820-L2883 HydrophobicContact CB-CD1 4.18Å; A2820-L2883 HydrophobicContact CB-CD2 3.98Å; A2820-Y2889 HydrophobicContact CB-CD1 4.21Å; A2820-Y2889 HydrophobicContact CB-CD2 4.39Å; A2820-Y2889 HydrophobicContact CB-CG 3.91Å |
| 2821 | M | 91.1 | Very high | 92.1 | Very high | 136.75 Ų | 136.75 | 44.1 Ų | 44.1 | 67% | 0.674 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -62.6 | -29.9 | 178.4 | -114.9 | -175.9 | -113.6 | 0 | 0 | 113.3 | G2817 F2818 A2819 | G2817-M2821 PolarHBondContact O-N 3.02Å; G2817-M2821 VanDerWaalsContact O-N 3.13Å; F2818-M2821 HydrophobicContact CD1-SD 4.33Å; F2818-M2821 HydrophobicContact CE1-SD 4.48Å; F2818-M2821 HydrophobicContact CG-SD 4.5Å; F2818-M2821 PolarHBondContact O-N 3.15Å; A2819-M2821 PolarHBondContact O-N 3.13Å |
| 2822 | R | 93.7 | Very high | 92 | Very high | 85.5 Ų | 85.5 | 47.5 Ų | 47.5 | 32% | 0.323 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -103.8 | -0.8 | 179.9 | -67 | -66.2 | 179.6 | 124.6 | -8.4 | 114.1 | S2783 L2786 F2818 A2819 A2820 V2824 S2825 G2826 | S2783-R2822 VanDerWaalsContact O-CZ 3.29Å; S2783-R2822 PolarHBondContact O-NH1 3.15Å; L2786-R2822 HydrophobicContact CB-CB 3.76Å; L2786-R2822 HydrophobicContact CB-CG 4.08Å; L2786-R2822 HydrophobicContact CD1-CB 4.29Å; L2786-R2822 HydrophobicContact CD1-CG 4.12Å; F2818-R2822 PolarHBondContact O-N 3.12Å; F2818-R2822 VanDerWaalsContact O-N 3.1Å; A2819-R2822 CarbonylContact O-C 3.55Å; A2819-R2822 PolarHBondContact O-N 3.11Å; A2820-R2822 VanDerWaalsContact C-N 3.27Å; A2820-R2822 PolarHBondContact O-N 3.25Å; R2822-V2824 PolarHBondContact O-N 3.12Å; R2822-S2825 WeakPolarHBondContact O-CB 3.03Å; R2822-S2825 PolarHBondContact O-N 3.1Å; R2822-G2826 PolarHBondContact O-N 3.02Å |
| 2823 | A | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.9 | -46.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I2790 A2819 A2820 S2825 G2826 I2827 L2879 L2883 L2893 | I2790-A2823 HydrophobicContact CD1-CB 4.48Å; A2819-A2823 WeakPolarHBondContact O-CA 3.36Å; A2819-A2823 VanDerWaalsContact O-CB 3.31Å; A2819-A2823 WeakPolarHBondContact O-CB 3.32Å; A2819-A2823 PolarHBondContact O-N 3.23Å; A2820-A2823 WeakPolarHBondContact O-CB 3.35Å; A2820-A2823 PolarHBondContact O-N 3.17Å; A2823-S2825 PolarHBondContact O-N 3.3Å; A2823-G2826 PolarHBondContact O-N 2.95Å; A2823-I2827 WeakPolarHBondContact O-CG1 3.3Å; A2823-I2827 PolarHBondContact O-N 3.13Å; A2823-L2879 HydrophobicContact CB-CD1 4.41Å; A2823-L2879 HydrophobicContact CB-CD2 4.09Å; A2823-L2883 HydrophobicContact CB-CD1 4.23Å; A2823-L2893 HydrophobicContact CB-CD1 3.66Å |
| 2824 | V | 94.3 | Very high | 92.1 | Very high | 23.75 Ų | 23.75 | 38 Ų | 38 | 14% | 0.144 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.5 | -41.1 | -179.2 | 171.7 | 0 | 0 | 0 | 0 | 112.2 | R2822 G2826 I2827 R2828 L2893 N2896 L2897 I2900 | R2822-V2824 PolarHBondContact O-N 3.12Å; V2824-G2826 VanDerWaalsContact C-N 3.31Å; V2824-G2826 PolarHBondContact O-N 3.06Å; V2824-I2827 PolarHBondContact O-N 3Å; V2824-R2828 HydrophobicContact CG1-CG 4.5Å; V2824-R2828 WeakPolarHBondContact O-CB 3.35Å; V2824-R2828 WeakPolarHBondContact O-CG 3.43Å; V2824-R2828 PolarHBondContact O-N 3.08Å; V2824-L2893 HydrophobicContact CG2-CD1 4.25Å; V2824-N2896 HydrophobicContact CG2-CB 3.64Å; V2824-L2897 HydrophobicContact CG1-CD2 4.43Å; V2824-L2897 HydrophobicContact CG2-CD2 4.05Å; V2824-L2897 HydrophobicContact CG2-CG 4.16Å; V2824-I2900 HydrophobicContact CG1-CD1 3.73Å; V2824-I2900 HydrophobicContact CG1-CG1 4.44Å |
| 2825 | S | 93.5 | Very high | 92 | Very high | 52.25 Ų | 52.25 | 35.1 Ų | 35.1 | 37% | 0.365 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.1 | -43 | 173.5 | 170 | 0 | 0 | 0 | 0 | 110.9 | S2787 R2822 A2823 I2827 R2828 M2829 | S2787-S2825 WeakPolarHBondContact CB-OG 3.46Å; S2787-S2825 VanDerWaalsContact OG-CB 3.3Å; S2787-S2825 WeakPolarHBondContact OG-CB 3.43Å; S2787-S2825 PolarHBondContact OG-OG 3.4Å; R2822-S2825 WeakPolarHBondContact O-CB 3.03Å; R2822-S2825 PolarHBondContact O-N 3.1Å; A2823-S2825 PolarHBondContact O-N 3.3Å; S2825-I2827 PolarHBondContact O-N 3.22Å; S2825-R2828 PolarHBondContact O-N 3.04Å; S2825-M2829 WeakPolarHBondContact O-CB 3.3Å; S2825-M2829 WeakPolarHBondContact O-CG 3.42Å; S2825-M2829 PolarHBondContact O-N 3.15Å; S2825-M2829 VanDerWaalsContact O-N 3.11Å |
| 2826 | G | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.7 | -40.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | S2787 R2822 A2823 V2824 M2829 S2830 | S2787-G2826 VanDerWaalsContact O-CA 3.22Å; S2787-G2826 WeakPolarHBondContact O-CA 3.47Å; R2822-G2826 PolarHBondContact O-N 3.02Å; A2823-G2826 PolarHBondContact O-N 2.95Å; V2824-G2826 VanDerWaalsContact C-N 3.31Å; V2824-G2826 PolarHBondContact O-N 3.06Å; G2826-M2829 CarbonylContact O-C 3.58Å; G2826-M2829 PolarHBondContact O-N 3.14Å; G2826-S2830 WeakPolarHBondContact O-CB 3.35Å; G2826-S2830 PolarHBondContact O-N 3.24Å; G2826-S2830 PolarHBondContact O-OG 3.16Å |
| 2827 | I | 95.6 | Very high | 91.6 | Very high | 1.5 Ų | 1.5 | 31.5 Ų | 31.5 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.9 | -38.7 | 176.9 | -70.8 | 167 | 0 | 0 | 0 | 111.5 | A2823 V2824 S2825 M2829 S2830 H2831 N2876 L2879 L2893 L2897 F2925 I2926 F2933 | A2823-I2827 WeakPolarHBondContact O-CG1 3.3Å; A2823-I2827 PolarHBondContact O-N 3.13Å; V2824-I2827 PolarHBondContact O-N 3Å; S2825-I2827 PolarHBondContact O-N 3.22Å; I2827-M2829 VanDerWaalsContact C-N 3.33Å; I2827-M2829 PolarHBondContact O-N 2.84Å; I2827-S2830 VanDerWaalsContact O-CB 3.29Å; I2827-S2830 WeakPolarHBondContact O-CB 3.34Å; I2827-S2830 PolarHBondContact O-N 3.07Å; I2827-H2831 PolarHBondContact O-N 2.98Å; I2827-H2831 VanDerWaalsContact O-N 3.12Å; I2827-N2876 HydrophobicContact CG1-CB 4.42Å; I2827-L2879 HydrophobicContact CD1-CD2 3.92Å; I2827-L2879 HydrophobicContact CG1-CD2 3.99Å; I2827-L2893 HydrophobicContact CD1-CD1 4.08Å; I2827-L2897 HydrophobicContact CB-CD2 4.43Å; I2827-L2897 HydrophobicContact CD1-CD1 4.04Å; I2827-L2897 HydrophobicContact CD1-CD2 3.87Å; I2827-L2897 HydrophobicContact CD1-CG 4.45Å; I2827-L2897 HydrophobicContact CG2-CD2 4.06Å; I2827-F2925 HydrophobicContact CG2-CD1 4.35Å; I2827-F2925 HydrophobicContact CG2-CE1 4.13Å; I2827-I2926 HydrophobicContact CG2-CG1 4.48Å; I2827-F2933 HydrophobicContact CD1-CZ 4.36Å |
| 2828 | R | 93.6 | Very high | 91 | Very high | 71 Ų | 71 | 33 Ų | 33 | 27% | 0.268 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.1 | -42.2 | 172.9 | -70.7 | -172.7 | 174.8 | 179.6 | 1.4 | 111.9 | V2824 S2825 S2830 H2831 Q2832 I2900 E2903 Q2922 | V2824-R2828 HydrophobicContact CG1-CG 4.5Å; V2824-R2828 WeakPolarHBondContact O-CB 3.35Å; V2824-R2828 WeakPolarHBondContact O-CG 3.43Å; V2824-R2828 PolarHBondContact O-N 3.08Å; S2825-R2828 PolarHBondContact O-N 3.04Å; R2828-S2830 VanDerWaalsContact C-N 3.31Å; R2828-S2830 PolarHBondContact O-N 3.18Å; R2828-H2831 WeakPolarHBondContact O-CB 3.28Å; R2828-H2831 PolarHBondContact O-N 3.17Å; R2828-Q2832 PolarHBondContact O-N 2.96Å; R2828-Q2832 VanDerWaalsContact O-N 3.16Å; R2828-I2900 HydrophobicContact CG-CD1 4.44Å; R2828-I2900 VanDerWaalsContact NH2-CG2 3.35Å; R2828-E2903 IonicContact CZ-OE1 2.87Å; R2828-E2903 IonicContact CZ-OE2 3.52Å; R2828-E2903 VanDerWaalsContact CZ-OE2 3.3Å; R2828-E2903 IonicContact NH1-OE1 2.69Å; R2828-E2903 IonicContact NH1-OE2 3.68Å; R2828-E2903 PolarHBondContact NH1-OE2 3.08Å; R2828-E2903 VanDerWaalsContact NH1-OE2 3.1Å; R2828-E2903 IonicContact NH2-OE1 3.22Å; R2828-E2903 PolarHBondContact NH2-OE1 3.18Å; R2828-E2903 IonicContact NH2-OE2 3.14Å; R2828-E2903 PolarHBondContact NH2-OE2 3.06Å; R2828-Q2922 VanDerWaalsContact NE-OE1 3.1Å |
| 2829 | M | 93.7 | Very high | 89.8 | Confident | 24 Ų | 24 | 34.4 Ų | 34.4 | 12% | 0.118 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.3 | -34.3 | 174.5 | -86.3 | -178.1 | 74.2 | 0 | 0 | 112.2 | I2756 L2757 S2787 C2791 S2825 G2826 I2827 H2831 Q2832 L2833 | I2756-M2829 HydrophobicContact CB-CE 3.87Å; I2756-M2829 HydrophobicContact CG2-CE 3.88Å; L2757-M2829 HydrophobicContact CD1-CE 4.26Å; L2757-M2829 HydrophobicContact CD1-CG 4.33Å; L2757-M2829 HydrophobicContact CD2-CE 4.2Å; L2757-M2829 HydrophobicContact CD2-CG 4.02Å; L2757-M2829 HydrophobicContact CG-CE 4.07Å; L2757-M2829 HydrophobicContact CG-CG 4.4Å; S2787-M2829 VanDerWaalsContact CB-SD 3.53Å; S2787-M2829 WeakPolarHBondContact O-CE 3.21Å; C2791-M2829 HydrophobicContact CB-CB 3.95Å; C2791-M2829 HydrophobicContact CB-CE 4.23Å; C2791-M2829 HydrophobicContact CB-CG 3.88Å; C2791-M2829 HydrophobicContact CB-SD 3.97Å; C2791-M2829 VanDerWaalsContact SG-C 3.53Å; C2791-M2829 PolarHBondContact SG-O 3.15Å; C2791-M2829 VanDerWaalsContact SG-O 3.36Å; S2825-M2829 WeakPolarHBondContact O-CB 3.3Å; S2825-M2829 WeakPolarHBondContact O-CG 3.42Å; S2825-M2829 PolarHBondContact O-N 3.15Å; S2825-M2829 VanDerWaalsContact O-N 3.11Å; G2826-M2829 CarbonylContact O-C 3.58Å; G2826-M2829 PolarHBondContact O-N 3.14Å; I2827-M2829 VanDerWaalsContact C-N 3.33Å; I2827-M2829 PolarHBondContact O-N 2.84Å; M2829-H2831 VanDerWaalsContact C-N 3.3Å; M2829-H2831 PolarHBondContact O-N 3.02Å; M2829-Q2832 WeakPolarHBondContact O-CB 3.38Å; M2829-Q2832 PolarHBondContact O-N 3.21Å; M2829-Q2832 VanDerWaalsContact O-N 3.12Å; M2829-L2833 PolarHBondContact O-N 3.37Å |
| 2830 | S | 94.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.6 | -44.9 | 172.9 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | C2791 T2794 G2826 I2827 R2828 Q2832 L2833 Q2834 N2876 | C2791-S2830 WeakPolarHBondContact CA-OG 3.24Å; T2794-S2830 WeakPolarHBondContact CG2-OG 3.27Å; G2826-S2830 WeakPolarHBondContact O-CB 3.35Å; G2826-S2830 PolarHBondContact O-N 3.24Å; G2826-S2830 PolarHBondContact O-OG 3.16Å; I2827-S2830 VanDerWaalsContact O-CB 3.29Å; I2827-S2830 WeakPolarHBondContact O-CB 3.34Å; I2827-S2830 PolarHBondContact O-N 3.07Å; R2828-S2830 VanDerWaalsContact C-N 3.31Å; R2828-S2830 PolarHBondContact O-N 3.18Å; S2830-Q2832 VanDerWaalsContact C-N 3.35Å; S2830-Q2832 PolarHBondContact O-N 3.04Å; S2830-L2833 PolarHBondContact O-N 3.19Å; S2830-Q2834 VanDerWaalsContact O-CG 3.31Å; S2830-Q2834 WeakPolarHBondContact O-CG 3.33Å; S2830-Q2834 PolarHBondContact O-N 3.15Å; S2830-N2876 PolarHBondContact OG-ND2 3.14Å; S2830-N2876 PolarHBondContact OG-OD1 2.94Å |
| 2831 | H | 93.1 | Very high | 86.2 | Confident | 7.25 Ų | 7.25 | 43.2 Ų | 43.2 | 3% | 0.034 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.7 | -47.3 | 175.3 | 173.9 | -112 | 0 | 0 | 0 | 111.4 | I2827 R2828 M2829 L2833 Q2834 V2835 N2918 S2921 Q2922 F2925 | I2827-H2831 PolarHBondContact O-N 2.98Å; I2827-H2831 VanDerWaalsContact O-N 3.12Å; R2828-H2831 WeakPolarHBondContact O-CB 3.28Å; R2828-H2831 PolarHBondContact O-N 3.17Å; M2829-H2831 VanDerWaalsContact C-N 3.3Å; M2829-H2831 PolarHBondContact O-N 3.02Å; H2831-L2833 VanDerWaalsContact C-N 3.33Å; H2831-L2833 PolarHBondContact O-N 3.13Å; H2831-Q2834 PolarHBondContact O-N 3.11Å; H2831-V2835 WeakPolarHBondContact O-CG2 3.35Å; H2831-V2835 PolarHBondContact O-N 3.2Å; H2831-N2918 PolarHBondContact CE1-O 3.26Å; H2831-S2921 PolarHBondContact CE1-OG 3.43Å; H2831-S2921 PolarHBondContact NE2-OG 3.18Å; H2831-Q2922 HydrophobicContact CB-CG 4.45Å; H2831-Q2922 PolarHBondContact CE1-N 3.02Å; H2831-Q2922 PolarHBondContact ND1-NE2 3.32Å; H2831-Q2922 PolarHBondContact NE2-N 3.01Å; H2831-F2925 HydrophobicContact CB-CB 4.5Å; H2831-F2925 HydrophobicContact CB-CD1 3.71Å; H2831-F2925 HydrophobicContact CB-CD2 4.41Å; H2831-F2925 HydrophobicContact CB-CE1 3.85Å; H2831-F2925 HydrophobicContact CB-CG 4.05Å; H2831-F2925 HydrophobicContact CB-CZ 4.32Å; H2831-F2925 AromaticContact CD2-CD2 3.93Å; H2831-F2925 AromaticContact CD2-CG 3.78Å |
| 2832 | Q | 91.2 | Very high | 84.1 | Confident | 78.25 Ų | 78.25 | 45.5 Ų | 45.5 | 37% | 0.366 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.5 | -44.2 | 176.7 | -67.3 | 170.8 | -31.4 | 0 | 0 | 112.2 | L2757 R2828 M2829 S2830 V2835 I2836 | L2757-Q2832 HydrophobicContact CD1-CB 4.21Å; L2757-Q2832 VanDerWaalsContact CD1-OE1 3.26Å; L2757-Q2832 HydrophobicContact CD2-CB 4.05Å; R2828-Q2832 PolarHBondContact O-N 2.96Å; R2828-Q2832 VanDerWaalsContact O-N 3.16Å; M2829-Q2832 WeakPolarHBondContact O-CB 3.38Å; M2829-Q2832 PolarHBondContact O-N 3.21Å; M2829-Q2832 VanDerWaalsContact O-N 3.12Å; S2830-Q2832 VanDerWaalsContact C-N 3.35Å; S2830-Q2832 PolarHBondContact O-N 3.04Å; Q2832-V2835 PolarHBondContact O-N 3.23Å; Q2832-I2836 WeakPolarHBondContact O-CD1 3.45Å; Q2832-I2836 WeakPolarHBondContact O-CG1 3.16Å; Q2832-I2836 PolarHBondContact O-N 3.29Å; Q2832-I2836 VanDerWaalsContact O-N 3.09Å |
| 2833 | L | 91.3 | Very high | 82 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.2 | -42.9 | 176.6 | 179.8 | 61.6 | 0 | 0 | 0 | 112.1 | L2757 C2791 L2792 M2829 S2830 H2831 V2835 I2836 I2837 | L2757-L2833 HydrophobicContact CD2-CB 3.93Å; C2791-L2833 VanDerWaalsContact SG-CB 3.56Å; C2791-L2833 WeakPolarHBondContact SG-CB 3.44Å; C2791-L2833 VanDerWaalsContact SG-CD2 3.56Å; L2792-L2833 HydrophobicContact CD2-CD2 4.25Å; M2829-L2833 PolarHBondContact O-N 3.37Å; S2830-L2833 PolarHBondContact O-N 3.19Å; H2831-L2833 VanDerWaalsContact C-N 3.33Å; H2831-L2833 PolarHBondContact O-N 3.13Å; L2833-V2835 VanDerWaalsContact C-N 3.3Å; L2833-V2835 PolarHBondContact O-N 3.31Å; L2833-I2836 PolarHBondContact O-N 3.07Å; L2833-I2837 HydrophobicContact CD1-CD1 3.9Å; L2833-I2837 HydrophobicContact CD1-CG1 4.17Å; L2833-I2837 HydrophobicContact CD2-CD1 4.4Å; L2833-I2837 HydrophobicContact CG-CD1 3.81Å; L2833-I2837 HydrophobicContact CG-CG1 4.42Å; L2833-I2837 WeakPolarHBondContact O-CG1 3.38Å; L2833-I2837 PolarHBondContact O-N 3.11Å |
| 2834 | Q | 91 | Very high | 80.1 | Confident | 2.25 Ų | 2.25 | 50.4 Ų | 50.4 | 1% | 0.011 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.3 | -34.3 | 177 | -66.5 | -56.2 | -74.4 | 0 | 0 | 111.9 | T2794 S2830 H2831 I2837 H2838 V2847 I2875 F2925 | T2794-Q2834 PolarHBondContact O-NE2 3.09Å; T2794-Q2834 PolarHBondContact OG1-NE2 3.01Å; T2794-Q2834 VanDerWaalsContact OG1-NE2 3.11Å; S2830-Q2834 VanDerWaalsContact O-CG 3.31Å; S2830-Q2834 WeakPolarHBondContact O-CG 3.33Å; S2830-Q2834 PolarHBondContact O-N 3.15Å; H2831-Q2834 PolarHBondContact O-N 3.11Å; Q2834-I2837 PolarHBondContact O-N 3.2Å; Q2834-H2838 VanDerWaalsContact O-CB 3.3Å; Q2834-H2838 WeakPolarHBondContact O-CB 3.18Å; Q2834-H2838 PolarHBondContact O-CD2 3.08Å; Q2834-H2838 VanDerWaalsContact O-CD2 3.29Å; Q2834-H2838 PolarHBondContact O-N 3.25Å; Q2834-H2838 PolarHBondContact OE1-NE2 3.25Å; Q2834-V2847 HydrophobicContact CB-CG1 3.45Å; Q2834-V2847 VanDerWaalsContact CB-CG1 3.47Å; Q2834-V2847 HydrophobicContact CB-CG2 4.46Å; Q2834-V2847 HydrophobicContact CG-CG1 4.33Å; Q2834-I2875 HydrophobicContact CG-CD1 4.41Å; Q2834-F2925 HydrophobicContact CB-CE2 4.41Å; Q2834-F2925 HydrophobicContact CG-CE2 4Å; Q2834-F2925 HydrophobicContact CG-CZ 4.28Å |
| 2835 | V | 87.2 | Confident | 78.6 | Confident | 43.25 Ų | 43.25 | 55.4 Ų | 55.4 | 26% | 0.262 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62 | -47.9 | 171.4 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | H2831 Q2832 L2833 I2837 H2838 T2839 V2847 | H2831-V2835 WeakPolarHBondContact O-CG2 3.35Å; H2831-V2835 PolarHBondContact O-N 3.2Å; Q2832-V2835 PolarHBondContact O-N 3.23Å; L2833-V2835 VanDerWaalsContact C-N 3.3Å; L2833-V2835 PolarHBondContact O-N 3.31Å; V2835-I2837 VanDerWaalsContact C-N 3.32Å; V2835-I2837 PolarHBondContact O-N 3.12Å; V2835-H2838 PolarHBondContact O-N 3.38Å; V2835-T2839 HydrophobicContact CG1-CG2 4.35Å; V2835-T2839 WeakPolarHBondContact O-CB 3.34Å; V2835-T2839 VanDerWaalsContact O-CG2 3.24Å; V2835-T2839 WeakPolarHBondContact O-CG2 3.41Å; V2835-T2839 PolarHBondContact O-N 3.07Å; V2835-T2839 PolarHBondContact O-OG1 3.12Å; V2835-V2847 HydrophobicContact CB-CG2 4.37Å; V2835-V2847 HydrophobicContact CG2-CB 4.38Å; V2835-V2847 HydrophobicContact CG2-CG2 3.71Å |
| 2836 | I | 85.2 | Confident | 77.9 | Confident | 35.75 Ų | 35.75 | 53.4 Ų | 53.4 | 18% | 0.183 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.1 | -33.6 | 179.8 | -67.3 | 164.7 | 0 | 0 | 0 | 112.3 | L2757 P2759 Q2832 L2833 T2839 | L2757-I2836 HydrophobicContact CB-CD1 3.8Å; L2757-I2836 HydrophobicContact CD2-CD1 4.43Å; P2759-I2836 HydrophobicContact CB-CG2 4.06Å; P2759-I2836 HydrophobicContact CG-CG2 4.49Å; Q2832-I2836 WeakPolarHBondContact O-CD1 3.45Å; Q2832-I2836 WeakPolarHBondContact O-CG1 3.16Å; Q2832-I2836 PolarHBondContact O-N 3.29Å; Q2832-I2836 VanDerWaalsContact O-N 3.09Å; L2833-I2836 PolarHBondContact O-N 3.07Å; I2836-T2839 PolarHBondContact O-OG1 3.06Å |
| 2837 | I | 83.6 | Confident | 77.4 | Confident | 26.75 Ų | 26.75 | 54 Ų | 54 | 14% | 0.137 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -76.6 | -45.1 | 177.6 | -67.6 | 171.4 | 0 | 0 | 0 | 111.2 | L2833 Q2834 V2835 T2839 N2840 | L2833-I2837 HydrophobicContact CD1-CD1 3.9Å; L2833-I2837 HydrophobicContact CD1-CG1 4.17Å; L2833-I2837 HydrophobicContact CD2-CD1 4.4Å; L2833-I2837 HydrophobicContact CG-CD1 3.81Å; L2833-I2837 HydrophobicContact CG-CG1 4.42Å; L2833-I2837 WeakPolarHBondContact O-CG1 3.38Å; L2833-I2837 PolarHBondContact O-N 3.11Å; Q2834-I2837 PolarHBondContact O-N 3.2Å; V2835-I2837 VanDerWaalsContact C-N 3.32Å; V2835-I2837 PolarHBondContact O-N 3.12Å; I2837-T2839 VanDerWaalsContact C-N 3.28Å; I2837-T2839 PolarHBondContact O-N 3.32Å; I2837-N2840 PolarHBondContact O-N 2.69Å |
| 2838 | H | 75.5 | Confident | 77.1 | Confident | 40.25 Ų | 40.25 | 55.6 Ų | 55.6 | 19% | 0.186 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -84.6 | -9.3 | -173.9 | -73.7 | -64.3 | 0 | 0 | 0 | 115 | Q2834 V2835 N2840 E2841 V2847 K2851 | Q2834-H2838 VanDerWaalsContact O-CB 3.3Å; Q2834-H2838 WeakPolarHBondContact O-CB 3.18Å; Q2834-H2838 PolarHBondContact O-CD2 3.08Å; Q2834-H2838 VanDerWaalsContact O-CD2 3.29Å; Q2834-H2838 PolarHBondContact O-N 3.25Å; Q2834-H2838 PolarHBondContact OE1-NE2 3.25Å; V2835-H2838 PolarHBondContact O-N 3.38Å; H2838-N2840 VanDerWaalsContact C-N 3.33Å; H2838-N2840 PolarHBondContact O-N 2.91Å; H2838-E2841 IonicContact CE1-OE2 3.51Å; H2838-E2841 PolarHBondContact CE1-OE2 3.19Å; H2838-E2841 VanDerWaalsContact CE1-OE2 3.27Å; H2838-E2841 IonicContact CG-OE2 2.77Å; H2838-E2841 IonicContact ND1-OE2 3.64Å; H2838-E2841 PolarHBondContact ND1-OE2 2.98Å; H2838-E2841 PolarHBondContact O-N 2.96Å; H2838-E2841 VanDerWaalsContact O-N 3.15Å; H2838-E2841 VanDerWaalsContact O-O 3.07Å; H2838-V2847 HydrophobicContact CB-CG2 4.33Å; H2838-K2851 WeakPolarHBondContact NE2-CE 3.22Å; H2838-K2851 PolarHBondContact NE2-NZ 3.35Å |
| 2839 | T | 65.5 | Low | 76.8 | Confident | 83.25 Ų | 83.25 | 52.2 Ų | 52.2 | 51% | 0.511 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19.5 | 171.8 | 39.5 | 0 | 0 | 0 | 0 | 113.7 | V2835 I2836 I2837 E2841 | V2835-T2839 HydrophobicContact CG1-CG2 4.35Å; V2835-T2839 WeakPolarHBondContact O-CB 3.34Å; V2835-T2839 VanDerWaalsContact O-CG2 3.24Å; V2835-T2839 WeakPolarHBondContact O-CG2 3.41Å; V2835-T2839 PolarHBondContact O-N 3.07Å; V2835-T2839 PolarHBondContact O-OG1 3.12Å; I2836-T2839 PolarHBondContact O-OG1 3.06Å; I2837-T2839 VanDerWaalsContact C-N 3.28Å; I2837-T2839 PolarHBondContact O-N 3.32Å; T2839-E2841 VanDerWaalsContact C-N 3.31Å |
| 2840 | N | 54.2 | Low | 76.5 | Confident | 81.5 Ų | 81.5 | 51.2 Ų | 51.2 | 44% | 0.436 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -14.2 | 176.9 | -104.2 | 7.5 | 0 | 0 | 0 | 113.5 | P2685 I2837 H2838 F2842 | P2685-N2840 WeakPolarHBondContact CB-OD1 3.42Å; P2685-N2840 HydrophobicContact CG-CB 4.17Å; I2837-N2840 PolarHBondContact O-N 2.69Å; H2838-N2840 VanDerWaalsContact C-N 3.33Å; H2838-N2840 PolarHBondContact O-N 2.91Å; N2840-F2842 PolarHBondContact O-N 2.77Å |
| 2841 | E | 53.3 | Low | 76 | Confident | 113.25 Ų | 113.25 | 55.1 Ų | 55.1 | 53% | 0.529 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -100 | 99.5 | 178.8 | -67.3 | -179.7 | 156.2 | 0 | 0 | 109.7 | H2838 T2839 S2843 | H2838-E2841 IonicContact CE1-OE2 3.51Å; H2838-E2841 PolarHBondContact CE1-OE2 3.19Å; H2838-E2841 VanDerWaalsContact CE1-OE2 3.27Å; H2838-E2841 IonicContact CG-OE2 2.77Å; H2838-E2841 IonicContact ND1-OE2 3.64Å; H2838-E2841 PolarHBondContact ND1-OE2 2.98Å; H2838-E2841 PolarHBondContact O-N 2.96Å; H2838-E2841 VanDerWaalsContact O-N 3.15Å; H2838-E2841 VanDerWaalsContact O-O 3.07Å; T2839-E2841 VanDerWaalsContact C-N 3.31Å; E2841-S2843 PolarHBondContact O-N 3.2Å |
| 2842 | F | 46.2 | Very low | 75.1 | Confident | 186.25 Ų | 186.25 | 58 Ų | 58 | 82% | 0.817 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 52.1 | -174.4 | -64.4 | -91.5 | 0 | 0 | 0 | 114.9 | N2840 S2844 L2845 | N2840-F2842 PolarHBondContact O-N 2.77Å; F2842-S2844 PolarHBondContact O-N 2.87Å; F2842-L2845 PolarHBondContact O-N 3.06Å |
| 2843 | S | 48.7 | Very low | 73.7 | Confident | 113 Ų | 113 | 56.9 Ų | 56.9 | 79% | 0.79 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | 16.3 | -170.2 | -112 | 0 | 0 | 0 | 0 | 116.2 | E2841 | E2841-S2843 PolarHBondContact O-N 3.2Š|
| 2844 | S | 55 | Low | 71.7 | Confident | 74.25 Ų | 74.25 | 63.8 Ų | 63.8 | 52% | 0.519 | 34% | 0.337 | S | S | . | . | trans | -163.1 | 92.4 | 177.2 | 80.9 | 0 | 0 | 0 | 0 | 115.5 | F2842 I2846 | F2842-S2844 PolarHBondContact O-N 2.87Å; S2844-I2846 PolarHBondContact O-N 3.24Å; S2844-I2846 VanDerWaalsContact O-N 3.12Å; S2844-I2846 PolarHBondContact OG-N 2.99Å; S2844-I2846 PolarHBondContact OG-O 3.25Å | ||
| 2845 | L | 64.2 | Low | 69.4 | Low | 129.25 Ų | 129.25 | 70.6 Ų | 70.6 | 68% | 0.677 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -68.5 | 13.1 | 172 | -89.1 | 125.3 | 0 | 0 | 0 | 114 | F2842 V2847 F3131 | F2842-L2845 PolarHBondContact O-N 3.06Å; L2845-V2847 PolarHBondContact O-N 3.11Å; L2845-F3131 HydrophobicContact CB-CE1 3.97Å; L2845-F3131 HydrophobicContact CD1-CD1 3.94Å; L2845-F3131 HydrophobicContact CD1-CE1 4.07Å; L2845-F3131 HydrophobicContact CD2-CD1 4.23Å; L2845-F3131 HydrophobicContact CD2-CE1 3.98Å; L2845-F3131 HydrophobicContact CG-CE1 4.3Å |
| 2846 | I | 78.1 | Confident | 66.9 | Low | 9.75 Ų | 9.75 | 72.9 Ų | 72.9 | 5% | 0.05 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -110.7 | 118.5 | 178.5 | -57.2 | -179.2 | 0 | 0 | 0 | 109.6 | S2844 R2848 I2924 Y3127 V3130 F3131 | S2844-I2846 PolarHBondContact O-N 3.24Å; S2844-I2846 VanDerWaalsContact O-N 3.12Å; S2844-I2846 PolarHBondContact OG-N 2.99Å; S2844-I2846 PolarHBondContact OG-O 3.25Å; I2846-R2848 PolarHBondContact O-N 3.25Å; I2846-R2848 VanDerWaalsContact O-N 3.15Å; I2846-I2924 HydrophobicContact CD1-CD1 4.22Å; I2846-I2924 HydrophobicContact CG2-CB 4.47Å; I2846-I2924 HydrophobicContact CG2-CD1 4.07Å; I2846-I2924 HydrophobicContact CG2-CG2 4.03Å; I2846-Y3127 HydrophobicContact CD1-CD1 3.42Å; I2846-Y3127 VanDerWaalsContact CD1-CD1 3.47Å; I2846-Y3127 HydrophobicContact CD1-CE1 3.49Å; I2846-Y3127 HydrophobicContact CD1-CG 4.44Å; I2846-Y3127 HydrophobicContact CG1-CE1 4.5Å; I2846-V3130 HydrophobicContact CD1-CB 3.84Å; I2846-V3130 HydrophobicContact CD1-CG1 3.57Å; I2846-V3130 VanDerWaalsContact CD1-CG1 3.47Å; I2846-V3130 HydrophobicContact CD1-CG2 4.16Å; I2846-V3130 HydrophobicContact CG1-CB 4.46Å; I2846-V3130 HydrophobicContact CG1-CG1 3.7Å; I2846-F3131 HydrophobicContact CD1-CE2 4.46Å; I2846-F3131 HydrophobicContact CD1-CZ 4.39Å |
| 2847 | V | 84.5 | Confident | 64.5 | Low | 12.5 Ų | 12.5 | 75.8 Ų | 75.8 | 8% | 0.076 | 42% | 0.419 | C | S | . | . | trans | -70.8 | 121.5 | 171.3 | 176.2 | 0 | 0 | 0 | 0 | 109.9 | Q2834 V2835 H2838 L2845 F2925 | Q2834-V2847 HydrophobicContact CB-CG1 3.45Å; Q2834-V2847 VanDerWaalsContact CB-CG1 3.47Å; Q2834-V2847 HydrophobicContact CB-CG2 4.46Å; Q2834-V2847 HydrophobicContact CG-CG1 4.33Å; V2835-V2847 HydrophobicContact CB-CG2 4.37Å; V2835-V2847 HydrophobicContact CG2-CB 4.38Å; V2835-V2847 HydrophobicContact CG2-CG2 3.71Å; H2838-V2847 HydrophobicContact CB-CG2 4.33Å; L2845-V2847 PolarHBondContact O-N 3.11Å; V2847-F2925 HydrophobicContact CG1-CD2 3.85Å; V2847-F2925 HydrophobicContact CG1-CE2 4.04Å | ||
| 2848 | R | 88.6 | Confident | 62.3 | Low | 36.25 Ų | 36.25 | 83.7 Ų | 83.7 | 14% | 0.137 | 46% | 0.455 | C | S | . | . | trans | -91.6 | 148 | 175.1 | -60.2 | -56.7 | -61.1 | -104.8 | -4.3 | 111.1 | I2846 A2850 I2875 F2925 D2928 L3119 M3120 | I2846-R2848 PolarHBondContact O-N 3.25Å; I2846-R2848 VanDerWaalsContact O-N 3.15Å; R2848-A2850 VanDerWaalsContact C-N 3.31Å; R2848-A2850 WeakPolarHBondContact CB-O 3.43Å; R2848-I2875 VanDerWaalsContact O-CD1 3.23Å; R2848-I2875 WeakPolarHBondContact O-CD1 3.32Å; R2848-F2925 WeakPolarHBondContact O-CD2 3.31Å; R2848-F2925 WeakPolarHBondContact O-CE2 3.46Å; R2848-D2928 WeakPolarHBondContact CA-OD2 3.38Å; R2848-D2928 WeakPolarHBondContact CB-OD2 3.29Å; R2848-D2928 IonicContact CZ-OD1 3.25Å; R2848-D2928 IonicContact CZ-OD2 3.27Å; R2848-D2928 IonicContact NE-OD1 3.11Å; R2848-D2928 IonicContact NE-OD2 3.18Å; R2848-D2928 PolarHBondContact NE-OD2 3Å; R2848-D2928 IonicContact NH2-OD1 3.18Å; R2848-D2928 PolarHBondContact NH2-OD1 3.05Å; R2848-D2928 IonicContact NH2-OD2 3.64Å; R2848-D2928 PolarHBondContact NH2-OD2 3.2Å; R2848-L3119 HydrophobicContact CG-CD2 4.47Å; R2848-M3120 PolarHBondContact NH2-O 3.3Å | ||
| 2849 | G | 88.2 | Confident | 60.3 | Low | 0 Ų | 0 | 86.1 Ų | 86.1 | 0% | 0 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -86.4 | -1.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | I2875 F2925 D2928 H2929 | G2849-I2875 WeakPolarHBondContact O-CB 3.31Å; G2849-I2875 WeakPolarHBondContact O-CG1 3.43Å; G2849-I2875 PolarHBondContact O-N 3.19Å; G2849-F2925 VanDerWaalsContact CA-CD2 3.42Å; G2849-D2928 VanDerWaalsContact CA-CB 3.48Å; G2849-D2928 PolarHBondContact N-OD2 3.05Å; G2849-H2929 PolarHBondContact O-CD2 2.82Å; G2849-H2929 VanDerWaalsContact O-CD2 3.29Å; G2849-H2929 PolarHBondContact O-CE1 3.01Å |
| 2850 | A | 88.2 | Confident | 58.8 | Low | 2.25 Ų | 2.25 | 92.5 Ų | 92.5 | 2% | 0.019 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 153.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | R2848 V2872 F2873 D2928 H2932 L3119 | R2848-A2850 VanDerWaalsContact C-N 3.31Å; R2848-A2850 WeakPolarHBondContact CB-O 3.43Å; A2850-V2872 HydrophobicContact CB-CG1 3.84Å; A2850-F2873 CarbonylContact C-O 3.37Å; A2850-F2873 WeakPolarHBondContact CA-O 3.44Å; A2850-F2873 WeakPolarHBondContact CB-O 3.37Å; A2850-D2928 HydrophobicContact CB-CB 4.18Å; A2850-H2932 HydrophobicContact CB-CB 4.07Å; A2850-H2932 WeakPolarHBondContact CB-ND1 3.31Å; A2850-L3119 HydrophobicContact CB-CD1 3.76Å |
| 2851 | K | 83.5 | Confident | 57.9 | Low | 81.5 Ų | 81.5 | 93 Ų | 93 | 35% | 0.354 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141 | -175.9 | -68.6 | -179.4 | 174.2 | 176.6 | 0 | 111.1 | H2838 S2853 V2872 F2873 I2875 | H2838-K2851 WeakPolarHBondContact NE2-CE 3.22Å; H2838-K2851 PolarHBondContact NE2-NZ 3.35Å; K2851-S2853 PolarHBondContact O-N 2.83Å; K2851-V2872 WeakPolarHBondContact O-CA 3.31Å; K2851-F2873 HydrophobicContact CB-CE1 4.4Å; K2851-F2873 HydrophobicContact CB-CZ 4.13Å; K2851-F2873 PolarHBondContact N-O 2.99Å; K2851-F2873 WeakPolarHBondContact O-CD1 3.32Å; K2851-F2873 PolarHBondContact O-N 3.29Å; K2851-F2873 VanDerWaalsContact O-N 3.12Å; K2851-I2875 HydrophobicContact CD-CD1 4.13Å; K2851-I2875 HydrophobicContact CD-CG1 4.23Å; K2851-I2875 HydrophobicContact CG-CD1 4.12Å; K2851-I2875 HydrophobicContact CG-CG1 4.13Å |
| 2852 | D | 73.6 | Confident | 57 | Low | 68 Ų | 68 | 96.2 Ų | 96.2 | 36% | 0.364 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 122.4 | 173.6 | -77.8 | -2 | 0 | 0 | 0 | 110.1 | K2854 V2872 | D2852-K2854 HydrophobicContact CB-CD 4.16Å; D2852-K2854 HydrophobicContact CB-CG 4.19Å; D2852-K2854 PolarHBondContact O-N 3.16Å; D2852-K2854 VanDerWaalsContact OD2-CE 3.3Å; D2852-K2854 WeakPolarHBondContact OD2-CE 3.2Å; D2852-K2854 IonicContact OD2-NZ 3.71Å; D2852-K2854 PolarHBondContact OD2-NZ 2.88Å; D2852-V2872 WeakPolarHBondContact OD1-CG2 3.26Å |
| 2853 | S | 61.2 | Low | 56.3 | Low | 54.75 Ų | 54.75 | 91 Ų | 91 | 38% | 0.383 | 51% | 0.514 | S | S | . | . | trans | -73.7 | 42.4 | 174.8 | -167.1 | 0 | 0 | 0 | 0 | 112.5 | K2851 I2855 T2871 | K2851-S2853 PolarHBondContact O-N 2.83Å; S2853-I2855 VanDerWaalsContact C-N 3.31Å; S2853-I2855 PolarHBondContact O-N 3.26Å; S2853-I2855 VanDerWaalsContact O-N 3.07Å; S2853-T2871 WeakPolarHBondContact CB-O 3.44Å; S2853-T2871 PolarHBondContact N-O 3.09Å | ||
| 2854 | K | 50.1 | Low | 55.7 | Low | 145.25 Ų | 145.25 | 92 Ų | 92 | 63% | 0.632 | 52% | 0.518 | S | S | * | . | trans | -77.9 | 42 | 173.8 | -88.2 | 177.1 | -178.3 | 168.9 | 0 | 110.9 | D2852 A2856 S2868 S2870 | D2852-K2854 HydrophobicContact CB-CD 4.16Å; D2852-K2854 HydrophobicContact CB-CG 4.19Å; D2852-K2854 PolarHBondContact O-N 3.16Å; D2852-K2854 VanDerWaalsContact OD2-CE 3.3Å; D2852-K2854 WeakPolarHBondContact OD2-CE 3.2Å; D2852-K2854 IonicContact OD2-NZ 3.71Å; D2852-K2854 PolarHBondContact OD2-NZ 2.88Å; K2854-A2856 PolarHBondContact O-N 3.34Å; K2854-S2868 WeakPolarHBondContact CE-O 3.47Å; K2854-S2868 PolarHBondContact NZ-O 2.7Å; K2854-S2870 WeakPolarHBondContact CD-OG 3.31Å | ||
| 2855 | I | 42.4 | Very low | 54.7 | Low | 146.25 Ų | 146.25 | 93.7 Ų | 93.7 | 75% | 0.75 | 53% | 0.525 | S | S | * | . | trans | -83.4 | 91.1 | 178.7 | -60.8 | 176.3 | 0 | 0 | 0 | 109.2 | S2853 S2857 | S2853-I2855 VanDerWaalsContact C-N 3.31Å; S2853-I2855 PolarHBondContact O-N 3.26Å; S2853-I2855 VanDerWaalsContact O-N 3.07Å; I2855-S2857 PolarHBondContact O-N 2.8Å | ||
| 2856 | A | 35.4 | Very low | 53.4 | Low | 90.25 Ų | 90.25 | 94.2 Ų | 94.2 | 75% | 0.746 | 53% | 0.529 | S | S | * | . | trans | -62.2 | 73.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K2854 E2858 | K2854-A2856 PolarHBondContact O-N 3.34Å; A2856-E2858 VanDerWaalsContact C-N 3.27Å; A2856-E2858 PolarHBondContact O-N 2.97Å | ||
| 2857 | S | 34.6 | Very low | 51.4 | Low | 97.25 Ų | 97.25 | 101.1 Ų | 101.1 | 68% | 0.68 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -74.1 | 74.1 | 163.7 | 61.4 | 0 | 0 | 0 | 0 | 112.8 | I2855 S2859 | I2855-S2857 PolarHBondContact O-N 2.8Å; S2857-S2859 PolarHBondContact O-N 3.17Å |
| 2858 | E | 36.3 | Very low | 49.2 | Very low | 192.25 Ų | 192.25 | 105.8 Ų | 105.8 | 90% | 0.898 | 60% | 0.599 | S | S | * | * | trans | -69.8 | 66.9 | 165.5 | -69.6 | -167.7 | 137.6 | 0 | 0 | 112.2 | A2856 K2860 | A2856-E2858 VanDerWaalsContact C-N 3.27Å; A2856-E2858 PolarHBondContact O-N 2.97Å; E2858-K2860 PolarHBondContact O-N 3.41Å | ||
| 2859 | S | 34.8 | Very low | 47.3 | Very low | 91 Ų | 91 | 109.4 Ų | 109.4 | 64% | 0.636 | 63% | 0.625 | S | S | * | * | trans | -114.3 | 93 | 176.3 | 55 | 0 | 0 | 0 | 0 | 110.9 | S2857 S2861 | S2857-S2859 PolarHBondContact O-N 3.17Å; S2859-S2861 PolarHBondContact O-N 3.15Å | ||
| 2860 | K | 32.8 | Very low | 45.6 | Very low | 216.75 Ų | 216.75 | 111 Ų | 111 | 94% | 0.942 | 64% | 0.636 | S | S | * | * | trans | -56.8 | 73.4 | 164.4 | -71 | 177.7 | 178.3 | 174.1 | 0 | 111.1 | E2858 | E2858-K2860 PolarHBondContact O-N 3.41Š| ||
| 2861 | S | 37.3 | Very low | 44.7 | Very low | 94 Ų | 94 | 114.2 Ų | 114.2 | 66% | 0.657 | 66% | 0.656 | S | S | * | * | trans | -123.9 | 120.8 | 166.8 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | S2859 S2863 | S2859-S2861 PolarHBondContact O-N 3.15Å; S2861-S2863 PolarHBondContact O-N 2.93Å | ||
| 2862 | L | 33.9 | Very low | 44.5 | Very low | 178.5 Ų | 178.5 | 111.6 Ų | 111.6 | 94% | 0.935 | 65% | 0.646 | S | S | * | * | trans | -78.3 | 92.4 | -175.9 | -78.1 | 115.7 | 0 | 0 | 0 | 110.9 | ||||
| 2863 | S | 31.4 | Very low | 45 | Very low | 78.5 Ų | 78.5 | 112.6 Ų | 112.6 | 55% | 0.549 | 65% | 0.648 | S | S | . | * | trans | -155 | 94.8 | 166.1 | 58.2 | 0 | 0 | 0 | 0 | 111.2 | S2861 T2865 | S2861-S2863 PolarHBondContact O-N 2.93Å; S2863-T2865 VanDerWaalsContact C-N 3.28Å; S2863-T2865 PolarHBondContact O-N 3.2Å; S2863-T2865 VanDerWaalsContact O-N 3.1Å | ||
| 2864 | P | 35.1 | Very low | 46.5 | Very low | 133.25 Ų | 133.25 | 110.1 Ų | 110.1 | 87% | 0.865 | 63% | 0.63 | S | S | * | * | trans | -82.3 | 65.3 | -177.1 | 34.3 | -35.2 | 0 | 0 | 0 | 111.9 | ||||
| 2865 | T | 34.2 | Very low | 48.4 | Very low | 110 Ų | 110 | 104.2 Ų | 104.2 | 68% | 0.675 | 61% | 0.605 | S | S | * | * | trans | -150.6 | 103.3 | 172.1 | 43.8 | 0 | 0 | 0 | 0 | 111.2 | S2863 | S2863-T2865 VanDerWaalsContact C-N 3.28Å; S2863-T2865 PolarHBondContact O-N 3.2Å; S2863-T2865 VanDerWaalsContact O-N 3.1Å | ||
| 2866 | N | 37.2 | Very low | 50.8 | Low | 140.5 Ų | 140.5 | 97.2 Ų | 97.2 | 75% | 0.751 | 57% | 0.569 | S | S | * | * | S | Bend | trans | 141.9 | 107.9 | 164.8 | -71.4 | -34.7 | 0 | 0 | 0 | 112.6 | S2868 | N2866-S2868 VanDerWaalsContact C-N 3.34Å; N2866-S2868 PolarHBondContact O-N 3.33Å |
| 2867 | N | 37.1 | Very low | 53.5 | Low | 154 Ų | 154 | 98.3 Ų | 98.3 | 82% | 0.824 | 56% | 0.555 | S | S | * | * | trans | -46 | 104.9 | 168.7 | -62 | -3.5 | 0 | 0 | 0 | 111.9 | T2869 | N2867-T2869 VanDerWaalsContact C-N 3.32Å; N2867-T2869 PolarHBondContact O-N 3.18Å | ||
| 2868 | S | 37.4 | Very low | 56.1 | Low | 111.5 Ų | 111.5 | 95 Ų | 95 | 78% | 0.78 | 54% | 0.536 | S | S | * | . | trans | -70.5 | 85 | 172.3 | 54.4 | 0 | 0 | 0 | 0 | 110.5 | K2854 N2866 S2870 | K2854-S2868 WeakPolarHBondContact CE-O 3.47Å; K2854-S2868 PolarHBondContact NZ-O 2.7Å; N2866-S2868 VanDerWaalsContact C-N 3.34Å; N2866-S2868 PolarHBondContact O-N 3.33Å; S2868-S2870 PolarHBondContact O-N 3.02Å | ||
| 2869 | T | 48.5 | Very low | 58.8 | Low | 112.5 Ų | 112.5 | 85.9 Ų | 85.9 | 69% | 0.69 | 49% | 0.494 | S | S | * | . | trans | -64 | 115.4 | 169.7 | 49 | 0 | 0 | 0 | 0 | 109.1 | N2867 T2871 | N2867-T2869 VanDerWaalsContact C-N 3.32Å; N2867-T2869 PolarHBondContact O-N 3.18Å; T2869-T2871 PolarHBondContact O-N 3.27Å; T2869-T2871 VanDerWaalsContact O-N 3.13Å | ||
| 2870 | S | 52.9 | Low | 61.6 | Low | 33.25 Ų | 33.25 | 81.6 Ų | 81.6 | 23% | 0.233 | 46% | 0.464 | C | S | . | . | trans | -63.2 | 121 | 171 | -163.8 | 0 | 0 | 0 | 0 | 108.5 | K2854 S2868 G3117 | K2854-S2870 WeakPolarHBondContact CD-OG 3.31Å; S2868-S2870 PolarHBondContact O-N 3.02Å; S2870-G3117 VanDerWaalsContact O-CA 3.32Å; S2870-G3117 WeakPolarHBondContact O-CA 3.41Å; S2870-G3117 VanDerWaalsContact O-O 3.13Å | ||
| 2871 | T | 68 | Low | 64.4 | Low | 69 Ų | 69 | 73.5 Ų | 73.5 | 42% | 0.423 | 43% | 0.433 | S | S | . | . | trans | -106.4 | 120 | 171.3 | 51.8 | 0 | 0 | 0 | 0 | 108.7 | S2853 T2869 F2873 | S2853-T2871 WeakPolarHBondContact CB-O 3.44Å; S2853-T2871 PolarHBondContact N-O 3.09Å; T2869-T2871 PolarHBondContact O-N 3.27Å; T2869-T2871 VanDerWaalsContact O-N 3.13Å; T2871-F2873 WeakPolarHBondContact O-CD2 3.31Å; T2871-F2873 WeakPolarHBondContact OG1-CE2 3.28Å; T2871-F2873 WeakPolarHBondContact OG1-CZ 3.45Å | ||
| 2872 | V | 80.1 | Confident | 66.9 | Low | 26.25 Ų | 26.25 | 70.7 Ų | 70.7 | 16% | 0.159 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 139 | 172.4 | -177.1 | 0 | 0 | 0 | 0 | 109 | A2850 K2851 D2852 H2932 G3117 L3119 | A2850-V2872 HydrophobicContact CB-CG1 3.84Å; K2851-V2872 WeakPolarHBondContact O-CA 3.31Å; D2852-V2872 WeakPolarHBondContact OD1-CG2 3.26Å; V2872-H2932 HydrophobicContact CG1-CB 4.32Å; V2872-H2932 VanDerWaalsContact CG1-CD2 3.47Å; V2872-H2932 WeakPolarHBondContact CG1-CD2 3.4Å; V2872-G3117 WeakPolarHBondContact CG2-O 3.42Å; V2872-L3119 HydrophobicContact CG1-CB 4.35Å; V2872-L3119 HydrophobicContact CG1-CD1 3.92Å; V2872-L3119 HydrophobicContact CG2-CB 4.23Å |
| 2873 | F | 84.5 | Confident | 69.6 | Low | 90 Ų | 90 | 62.3 Ų | 62.3 | 40% | 0.395 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 135.7 | 173.4 | -1.9 | -82.7 | 0 | 0 | 0 | 111.4 | A2850 K2851 T2871 I2875 Y2877 | A2850-F2873 CarbonylContact C-O 3.37Å; A2850-F2873 WeakPolarHBondContact CA-O 3.44Å; A2850-F2873 WeakPolarHBondContact CB-O 3.37Å; K2851-F2873 HydrophobicContact CB-CE1 4.4Å; K2851-F2873 HydrophobicContact CB-CZ 4.13Å; K2851-F2873 PolarHBondContact N-O 2.99Å; K2851-F2873 WeakPolarHBondContact O-CD1 3.32Å; K2851-F2873 PolarHBondContact O-N 3.29Å; K2851-F2873 VanDerWaalsContact O-N 3.12Å; T2871-F2873 WeakPolarHBondContact O-CD2 3.31Å; T2871-F2873 WeakPolarHBondContact OG1-CE2 3.28Å; T2871-F2873 WeakPolarHBondContact OG1-CZ 3.45Å; F2873-I2875 PolarHBondContact O-N 2.93Å; F2873-Y2877 HydrophobicContact CD1-CD2 4.32Å; F2873-Y2877 HydrophobicContact CD1-CE2 4.33Å; F2873-Y2877 HydrophobicContact CD2-CD1 4.19Å; F2873-Y2877 HydrophobicContact CD2-CE1 4.4Å |
| 2874 | C | 91.5 | Very high | 72.4 | Confident | 1.75 Ų | 1.75 | 61.6 Ų | 61.6 | 1% | 0.012 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 136.1 | 165.7 | 169.8 | 0 | 0 | 0 | 0 | 110.3 | N2876 Y2877 H2929 H2932 F2933 | C2874-N2876 VanDerWaalsContact C-N 3.3Å; C2874-N2876 PolarHBondContact O-N 2.92Å; C2874-N2876 PolarHBondContact SG-N 3.24Å; C2874-Y2877 VanDerWaalsContact O-CB 3.25Å; C2874-Y2877 WeakPolarHBondContact O-CB 3.27Å; C2874-Y2877 WeakPolarHBondContact O-CD1 3.48Å; C2874-Y2877 PolarHBondContact O-N 3.07Å; C2874-Y2877 VanDerWaalsContact O-N 3.13Å; C2874-H2929 PolarHBondContact SG-CD2 3.14Å; C2874-H2932 HydrophobicContact CB-CB 4.1Å; C2874-H2932 VanDerWaalsContact CB-O 3.24Å; C2874-H2932 WeakPolarHBondContact CB-O 3.34Å; C2874-H2932 PolarHBondContact N-O 2.98Å; C2874-F2933 HydrophobicContact CB-CD1 4.28Å; C2874-F2933 VanDerWaalsContact SG-CD1 3.58Å; C2874-F2933 WeakPolarHBondContact SG-CD1 3.46Å; C2874-F2933 VanDerWaalsContact SG-CE1 3.6Å; C2874-F2933 WeakPolarHBondContact SG-CE1 3.37Å |
| 2875 | I | 91.1 | Very high | 74.8 | Confident | 20.5 Ų | 20.5 | 61.4 Ų | 61.4 | 11% | 0.105 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -39.4 | -177.1 | -67.1 | 172.6 | 0 | 0 | 0 | 111.2 | T2794 Q2834 R2848 G2849 K2851 F2873 Y2877 F2925 | T2794-I2875 VanDerWaalsContact CB-CG2 3.41Å; T2794-I2875 HydrophobicContact CG2-CG2 3.55Å; T2794-I2875 VanDerWaalsContact CG2-CG2 3.48Å; Q2834-I2875 HydrophobicContact CG-CD1 4.41Å; R2848-I2875 VanDerWaalsContact O-CD1 3.23Å; R2848-I2875 WeakPolarHBondContact O-CD1 3.32Å; G2849-I2875 WeakPolarHBondContact O-CB 3.31Å; G2849-I2875 WeakPolarHBondContact O-CG1 3.43Å; G2849-I2875 PolarHBondContact O-N 3.19Å; K2851-I2875 HydrophobicContact CD-CD1 4.13Å; K2851-I2875 HydrophobicContact CD-CG1 4.23Å; K2851-I2875 HydrophobicContact CG-CD1 4.12Å; K2851-I2875 HydrophobicContact CG-CG1 4.13Å; F2873-I2875 PolarHBondContact O-N 2.93Å; I2875-Y2877 VanDerWaalsContact C-N 3.31Å; I2875-Y2877 PolarHBondContact O-N 3.08Å; I2875-F2925 HydrophobicContact CD1-CE2 4.08Å |
| 2876 | N | 92.6 | Very high | 77.5 | Confident | 0.75 Ų | 0.75 | 58.5 Ų | 58.5 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 31.1 | 174.9 | -75.4 | -77.1 | 0 | 0 | 0 | 113.7 | T2794 I2827 S2830 C2874 G2878 L2879 Y2880 H2929 | T2794-N2876 VanDerWaalsContact CG2-OD1 3.26Å; T2794-N2876 WeakPolarHBondContact CG2-OD1 3.37Å; I2827-N2876 HydrophobicContact CG1-CB 4.42Å; S2830-N2876 PolarHBondContact OG-ND2 3.14Å; S2830-N2876 PolarHBondContact OG-OD1 2.94Å; C2874-N2876 VanDerWaalsContact C-N 3.3Å; C2874-N2876 PolarHBondContact O-N 2.92Å; C2874-N2876 PolarHBondContact SG-N 3.24Å; N2876-G2878 VanDerWaalsContact C-N 3.28Å; N2876-G2878 PolarHBondContact O-N 3.37Å; N2876-G2878 VanDerWaalsContact O-N 3.13Å; N2876-L2879 HydrophobicContact CB-CB 4.34Å; N2876-L2879 HydrophobicContact CB-CD2 4.45Å; N2876-L2879 PolarHBondContact O-N 3.17Å; N2876-Y2880 PolarHBondContact O-N 3.25Å; N2876-H2929 WeakPolarHBondContact CB-NE2 3.22Å; N2876-H2929 PolarHBondContact ND2-CE1 2.84Å; N2876-H2929 PolarHBondContact ND2-NE2 3.2Å |
| 2877 | Y | 91.8 | Very high | 80 | Confident | 112.75 Ų | 112.75 | 54.6 Ų | 54.6 | 44% | 0.442 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -54.2 | -36.4 | 178.1 | 125.7 | -80.5 | 0 | 0 | 0 | 113.5 | F2873 C2874 I2875 Y2880 T2881 P2934 | F2873-Y2877 HydrophobicContact CD1-CD2 4.32Å; F2873-Y2877 HydrophobicContact CD1-CE2 4.33Å; F2873-Y2877 HydrophobicContact CD2-CD1 4.19Å; F2873-Y2877 HydrophobicContact CD2-CE1 4.4Å; C2874-Y2877 VanDerWaalsContact O-CB 3.25Å; C2874-Y2877 WeakPolarHBondContact O-CB 3.27Å; C2874-Y2877 WeakPolarHBondContact O-CD1 3.48Å; C2874-Y2877 PolarHBondContact O-N 3.07Å; C2874-Y2877 VanDerWaalsContact O-N 3.13Å; I2875-Y2877 VanDerWaalsContact C-N 3.31Å; I2875-Y2877 PolarHBondContact O-N 3.08Å; Y2877-Y2880 PolarHBondContact O-N 3.42Å; Y2877-T2881 VanDerWaalsContact CE1-OG1 3.31Å; Y2877-T2881 WeakPolarHBondContact CE1-OG1 3.42Å; Y2877-T2881 VanDerWaalsContact O-CB 3.27Å; Y2877-T2881 WeakPolarHBondContact O-CB 3.29Å; Y2877-T2881 PolarHBondContact O-N 2.97Å; Y2877-T2881 PolarHBondContact O-OG1 3.09Å; Y2877-P2934 HydrophobicContact CD2-CB 3.84Å; Y2877-P2934 HydrophobicContact CD2-CG 3.61Å; Y2877-P2934 HydrophobicContact CE2-CB 3.43Å; Y2877-P2934 VanDerWaalsContact CE2-CB 3.49Å; Y2877-P2934 HydrophobicContact CE2-CG 3.6Å; Y2877-P2934 HydrophobicContact CG-CG 4.29Å |
| 2878 | G | 89.7 | Confident | 82.6 | Confident | 27.5 Ų | 27.5 | 53.9 Ų | 53.9 | 28% | 0.284 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N2876 Y2880 T2881 M2882 | N2876-G2878 VanDerWaalsContact C-N 3.28Å; N2876-G2878 PolarHBondContact O-N 3.37Å; N2876-G2878 VanDerWaalsContact O-N 3.13Å; G2878-Y2880 PolarHBondContact O-N 3.1Å; G2878-T2881 PolarHBondContact O-N 2.97Å; G2878-M2882 WeakPolarHBondContact O-CB 3.15Å; G2878-M2882 PolarHBondContact O-N 3.19Å; G2878-M2882 VanDerWaalsContact O-N 3.07Å |
| 2879 | L | 93.2 | Very high | 85.2 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.4 | -48.7 | 174.9 | 173 | 63.2 | 0 | 0 | 0 | 111.6 | I2790 Q2793 L2808 A2823 I2827 N2876 T2881 M2882 L2883 | I2790-L2879 HydrophobicContact CD1-CD1 3.82Å; I2790-L2879 HydrophobicContact CD1-CD2 4.08Å; I2790-L2879 HydrophobicContact CD1-CG 4.45Å; I2790-L2879 HydrophobicContact CG1-CD1 4.1Å; I2790-L2879 HydrophobicContact CG1-CD2 4.29Å; I2790-L2879 HydrophobicContact CG2-CD2 3.76Å; Q2793-L2879 VanDerWaalsContact OE1-N 3.1Å; L2808-L2879 HydrophobicContact CD2-CD1 4.42Å; A2823-L2879 HydrophobicContact CB-CD1 4.41Å; A2823-L2879 HydrophobicContact CB-CD2 4.09Å; I2827-L2879 HydrophobicContact CD1-CD2 3.92Å; I2827-L2879 HydrophobicContact CG1-CD2 3.99Å; N2876-L2879 HydrophobicContact CB-CB 4.34Å; N2876-L2879 HydrophobicContact CB-CD2 4.45Å; N2876-L2879 PolarHBondContact O-N 3.17Å; L2879-T2881 VanDerWaalsContact C-N 3.34Å; L2879-T2881 PolarHBondContact O-N 2.93Å; L2879-M2882 HydrophobicContact CD1-CE 4.27Å; L2879-M2882 WeakPolarHBondContact O-CB 3.33Å; L2879-M2882 PolarHBondContact O-N 3.36Å; L2879-L2883 HydrophobicContact CD1-CD1 3.73Å; L2879-L2883 HydrophobicContact CD1-CG 4.19Å; L2879-L2883 HydrophobicContact CG-CD1 4.25Å; L2879-L2883 WeakPolarHBondContact O-CG 3.42Å; L2879-L2883 PolarHBondContact O-N 3.29Å; L2879-L2883 VanDerWaalsContact O-N 3.13Å |
| 2880 | Y | 93.6 | Very high | 87.3 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.5 | -46.9 | 179 | -169.6 | -86.5 | 0 | 0 | 0 | 110.9 | N2876 Y2877 G2878 M2882 L2883 R2884 R2890 L2893 F2933 P2934 Y2935 E2940 | N2876-Y2880 PolarHBondContact O-N 3.25Å; Y2877-Y2880 PolarHBondContact O-N 3.42Å; G2878-Y2880 PolarHBondContact O-N 3.1Å; Y2880-M2882 VanDerWaalsContact C-N 3.28Å; Y2880-M2882 PolarHBondContact O-N 2.99Å; Y2880-L2883 PolarHBondContact O-N 2.93Å; Y2880-L2883 VanDerWaalsContact O-N 3.14Å; Y2880-R2884 HydrophobicContact CD1-CB 4.35Å; Y2880-R2884 HydrophobicContact CD1-CG 4.35Å; Y2880-R2884 HydrophobicContact CE1-CB 4.2Å; Y2880-R2884 HydrophobicContact CE1-CG 3.89Å; Y2880-R2884 VanDerWaalsContact O-CB 3.29Å; Y2880-R2884 WeakPolarHBondContact O-CB 3.41Å; Y2880-R2884 PolarHBondContact O-N 3.19Å; Y2880-R2890 HydrophobicContact CE2-CG 4.39Å; Y2880-R2890 WeakPolarHBondContact OH-CD 3.42Å; Y2880-R2890 WeakPolarHBondContact OH-CG 3.39Å; Y2880-L2893 HydrophobicContact CD2-CD2 4.11Å; Y2880-L2893 HydrophobicContact CE2-CD2 4.48Å; Y2880-F2933 VanDerWaalsContact CB-CD1 3.47Å; Y2880-F2933 HydrophobicContact CD1-CB 4.26Å; Y2880-F2933 HydrophobicContact CD1-CG 4.49Å; Y2880-F2933 HydrophobicContact CD2-CB 3.9Å; Y2880-F2933 AromaticContact CD2-CD1 3.56Å; Y2880-F2933 HydrophobicContact CD2-CD1 3.56Å; Y2880-F2933 VanDerWaalsContact CD2-CD1 3.46Å; Y2880-F2933 AromaticContact CD2-CD2 3.57Å; Y2880-F2933 HydrophobicContact CD2-CD2 3.57Å; Y2880-F2933 VanDerWaalsContact CD2-CD2 3.49Å; Y2880-F2933 AromaticContact CD2-CE1 3.87Å; Y2880-F2933 HydrophobicContact CD2-CE1 3.87Å; Y2880-F2933 AromaticContact CD2-CE2 3.87Å; Y2880-F2933 HydrophobicContact CD2-CE2 3.87Å; Y2880-F2933 AromaticContact CD2-CG 3.41Å; Y2880-F2933 HydrophobicContact CD2-CG 3.41Å; Y2880-F2933 VanDerWaalsContact CD2-CG 3.44Å; Y2880-F2933 AromaticContact CD2-CZ 3.96Å; Y2880-F2933 HydrophobicContact CD2-CZ 4.01Å; Y2880-F2933 HydrophobicContact CE1-CB 4.39Å; Y2880-F2933 HydrophobicContact CE2-CB 4.09Å; Y2880-F2933 HydrophobicContact CE2-CD1 4.42Å; Y2880-F2933 AromaticContact CE2-CD2 3.74Å; Y2880-F2933 HydrophobicContact CE2-CD2 3.81Å; Y2880-F2933 HydrophobicContact CE2-CE2 4.25Å; Y2880-F2933 AromaticContact CE2-CG 3.85Å; Y2880-F2933 HydrophobicContact CE2-CG 3.91Å; Y2880-F2933 HydrophobicContact CG-CB 4Å; Y2880-F2933 AromaticContact CG-CD1 3.62Å; Y2880-F2933 HydrophobicContact CG-CD1 3.62Å; Y2880-F2933 HydrophobicContact CG-CD2 4.39Å; Y2880-F2933 HydrophobicContact CG-CE1 4.13Å; Y2880-F2933 AromaticContact CG-CG 3.77Å; Y2880-F2933 HydrophobicContact CG-CG 3.77Å; Y2880-P2934 HydrophobicContact CD1-CG 3.9Å; Y2880-P2934 HydrophobicContact CG-CG 4.5Å; Y2880-Y2935 HydrophobicContact CE1-CD1 4.09Å; Y2880-Y2935 HydrophobicContact CE1-CE1 4.39Å; Y2880-Y2935 HydrophobicContact CE2-CD1 4.42Å; Y2880-Y2935 AromaticContact CE2-CE1 3.92Å; Y2880-Y2935 HydrophobicContact CE2-CE1 4.01Å; Y2880-Y2935 AromaticContact CZ-CD1 3.7Å; Y2880-Y2935 AromaticContact CZ-CE1 3.65Å; Y2880-Y2935 VanDerWaalsContact OH-CD1 3.27Å; Y2880-Y2935 WeakPolarHBondContact OH-CD1 3.33Å; Y2880-Y2935 VanDerWaalsContact OH-CE1 3.24Å; Y2880-Y2935 WeakPolarHBondContact OH-CE1 3.41Å; Y2880-E2940 PolarHBondContact OH-OE1 3.44Å |
| 2881 | T | 91.5 | Very high | 89.1 | Confident | 47.75 Ų | 47.75 | 47.1 Ų | 47.1 | 29% | 0.293 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58 | -37.9 | 179.7 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | Y2877 G2878 L2879 P2934 | Y2877-T2881 VanDerWaalsContact CE1-OG1 3.31Å; Y2877-T2881 WeakPolarHBondContact CE1-OG1 3.42Å; Y2877-T2881 VanDerWaalsContact O-CB 3.27Å; Y2877-T2881 WeakPolarHBondContact O-CB 3.29Å; Y2877-T2881 PolarHBondContact O-N 2.97Å; Y2877-T2881 PolarHBondContact O-OG1 3.09Å; G2878-T2881 PolarHBondContact O-N 2.97Å; L2879-T2881 VanDerWaalsContact C-N 3.34Å; L2879-T2881 PolarHBondContact O-N 2.93Å; T2881-P2934 WeakPolarHBondContact OG1-CG 3.41Å |
| 2882 | M | 89.8 | Confident | 90.3 | Very high | 34.75 Ų | 34.75 | 46.2 Ų | 46.2 | 17% | 0.171 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.6 | -45.8 | 176.1 | -171.4 | -179.1 | 73.9 | 0 | 0 | 112.1 | L2808 E2812 A2819 G2878 L2879 Y2880 R2884 T2885 | L2808-M2882 HydrophobicContact CD1-CE 4.46Å; L2808-M2882 HydrophobicContact CD2-CE 3.88Å; L2808-M2882 HydrophobicContact CD2-SD 4.32Å; L2808-M2882 HydrophobicContact CG-CE 3.88Å; L2808-M2882 HydrophobicContact CG-SD 4.1Å; E2812-M2882 HydrophobicContact CB-CE 4.02Å; E2812-M2882 HydrophobicContact CB-SD 3.83Å; E2812-M2882 HydrophobicContact CG-CE 4Å; E2812-M2882 HydrophobicContact CG-CG 4.29Å; E2812-M2882 HydrophobicContact CG-SD 4.06Å; A2819-M2882 HydrophobicContact CB-CE 3.39Å; A2819-M2882 VanDerWaalsContact CB-CE 3.45Å; G2878-M2882 WeakPolarHBondContact O-CB 3.15Å; G2878-M2882 PolarHBondContact O-N 3.19Å; G2878-M2882 VanDerWaalsContact O-N 3.07Å; L2879-M2882 HydrophobicContact CD1-CE 4.27Å; L2879-M2882 WeakPolarHBondContact O-CB 3.33Å; L2879-M2882 PolarHBondContact O-N 3.36Å; Y2880-M2882 VanDerWaalsContact C-N 3.28Å; Y2880-M2882 PolarHBondContact O-N 2.99Å; M2882-R2884 VanDerWaalsContact C-N 3.34Å; M2882-R2884 PolarHBondContact O-N 3.39Å; M2882-T2885 PolarHBondContact O-OG1 3.17Å; M2882-T2885 VanDerWaalsContact O-OG1 3.07Å |
| 2883 | L | 91 | Very high | 91 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -80.3 | -19.1 | -177.4 | -63.2 | 179.6 | 0 | 0 | 0 | 113.9 | A2819 A2820 A2823 L2879 Y2880 T2885 N2886 Y2889 L2893 | A2819-L2883 HydrophobicContact CB-CD2 4.26Å; A2820-L2883 HydrophobicContact CB-CD1 4.18Å; A2820-L2883 HydrophobicContact CB-CD2 3.98Å; A2823-L2883 HydrophobicContact CB-CD1 4.23Å; L2879-L2883 HydrophobicContact CD1-CD1 3.73Å; L2879-L2883 HydrophobicContact CD1-CG 4.19Å; L2879-L2883 HydrophobicContact CG-CD1 4.25Å; L2879-L2883 WeakPolarHBondContact O-CG 3.42Å; L2879-L2883 PolarHBondContact O-N 3.29Å; L2879-L2883 VanDerWaalsContact O-N 3.13Å; Y2880-L2883 PolarHBondContact O-N 2.93Å; Y2880-L2883 VanDerWaalsContact O-N 3.14Å; L2883-T2885 PolarHBondContact O-N 3.03Å; L2883-T2885 VanDerWaalsContact O-N 3.12Å; L2883-N2886 PolarHBondContact O-N 3.25Å; L2883-N2886 VanDerWaalsContact O-N 3.15Å; L2883-Y2889 HydrophobicContact CD2-CD2 4.41Å; L2883-L2893 HydrophobicContact CD1-CD2 4.18Å |
| 2884 | R | 88.6 | Confident | 91.4 | Very high | 63 Ų | 63 | 40.8 Ų | 40.8 | 24% | 0.238 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -30.5 | -175 | -166.9 | 173.2 | 63.6 | -163.6 | -2.3 | 114.1 | Y2880 M2882 N2886 R2890 P2934 V2936 E2940 | Y2880-R2884 HydrophobicContact CD1-CB 4.35Å; Y2880-R2884 HydrophobicContact CD1-CG 4.35Å; Y2880-R2884 HydrophobicContact CE1-CB 4.2Å; Y2880-R2884 HydrophobicContact CE1-CG 3.89Å; Y2880-R2884 VanDerWaalsContact O-CB 3.29Å; Y2880-R2884 WeakPolarHBondContact O-CB 3.41Å; Y2880-R2884 PolarHBondContact O-N 3.19Å; M2882-R2884 VanDerWaalsContact C-N 3.34Å; M2882-R2884 PolarHBondContact O-N 3.39Å; R2884-N2886 VanDerWaalsContact C-N 3.31Å; R2884-N2886 PolarHBondContact O-N 3.07Å; R2884-R2890 PolarHBondContact O-NH1 3.3Å; R2884-R2890 VanDerWaalsContact O-NH1 3.09Å; R2884-P2934 VanDerWaalsContact CD-O 3.3Å; R2884-P2934 WeakPolarHBondContact CD-O 3.24Å; R2884-P2934 PolarHBondContact NH1-O 3.34Å; R2884-V2936 VanDerWaalsContact NH1-CG1 3.33Å; R2884-V2936 VanDerWaalsContact NH1-CG2 3.34Å; R2884-E2940 WeakPolarHBondContact CG-OE1 3.43Å |
| 2885 | T | 86.6 | Confident | 91.6 | Very high | 129 Ų | 129 | 42.8 Ų | 42.8 | 79% | 0.791 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -28.1 | -178.6 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | M2882 L2883 | M2882-T2885 PolarHBondContact O-OG1 3.17Å; M2882-T2885 VanDerWaalsContact O-OG1 3.07Å; L2883-T2885 PolarHBondContact O-N 3.03Å; L2883-T2885 VanDerWaalsContact O-N 3.12Å |
| 2886 | N | 90.8 | Very high | 91.7 | Very high | 49.25 Ų | 49.25 | 44.9 Ų | 44.9 | 26% | 0.263 | 23% | 0.228 | S | C | . | . | trans | -108.1 | 114.3 | 178.7 | -174.2 | -29.4 | 0 | 0 | 0 | 110.8 | L2883 R2884 Q2888 Y2889 R2890 | L2883-N2886 PolarHBondContact O-N 3.25Å; L2883-N2886 VanDerWaalsContact O-N 3.15Å; R2884-N2886 VanDerWaalsContact C-N 3.31Å; R2884-N2886 PolarHBondContact O-N 3.07Å; N2886-Q2888 VanDerWaalsContact C-N 3.26Å; N2886-Q2888 PolarHBondContact O-N 3.03Å; N2886-Q2888 VanDerWaalsContact O-N 3.14Å; N2886-Q2888 WeakPolarHBondContact OD1-CB 3.39Å; N2886-Q2888 PolarHBondContact OD1-N 3.16Å; N2886-Y2889 HydrophobicContact CB-CD1 4.48Å; N2886-Y2889 HydrophobicContact CB-CD2 3.51Å; N2886-Y2889 VanDerWaalsContact CB-CD2 3.41Å; N2886-Y2889 HydrophobicContact CB-CE2 3.99Å; N2886-Y2889 HydrophobicContact CB-CG 3.82Å; N2886-Y2889 WeakPolarHBondContact ND2-CD2 3.29Å; N2886-Y2889 WeakPolarHBondContact ND2-CE1 3.23Å; N2886-Y2889 VanDerWaalsContact ND2-CE2 3.31Å; N2886-Y2889 WeakPolarHBondContact ND2-CE2 3.36Å; N2886-Y2889 VanDerWaalsContact ND2-CZ 3.32Å; N2886-Y2889 PolarHBondContact O-N 3.05Å; N2886-Y2889 VanDerWaalsContact O-N 3.13Å; N2886-Y2889 PolarHBondContact OD1-N 3.2Å; N2886-R2890 VanDerWaalsContact O-CB 3.3Å; N2886-R2890 WeakPolarHBondContact O-CB 3.37Å; N2886-R2890 PolarHBondContact O-N 3.12Å; N2886-R2890 VanDerWaalsContact O-N 3.11Å | ||
| 2887 | R | 90.4 | Very high | 91.8 | Very high | 59.75 Ų | 59.75 | 44.9 Ų | 44.9 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.7 | -36.2 | 179 | -171.9 | 175.5 | -170.5 | -142.6 | 14.5 | 112.8 | R2890 R2891 D2939 D3098 S3100 | R2887-R2890 VanDerWaalsContact CA-CZ 3.42Å; R2887-R2890 VanDerWaalsContact CG-NH2 3.29Å; R2887-R2890 WeakPolarHBondContact O-CG 3.17Å; R2887-R2891 HydrophobicContact CG-CG 4.49Å; R2887-R2891 VanDerWaalsContact O-CB 3.29Å; R2887-R2891 WeakPolarHBondContact O-CB 3.28Å; R2887-R2891 VanDerWaalsContact O-CG 3.25Å; R2887-R2891 WeakPolarHBondContact O-CG 3.4Å; R2887-R2891 PolarHBondContact O-N 3.16Å; R2887-D2939 IonicContact CZ-OD1 3.49Å; R2887-D2939 VanDerWaalsContact CZ-OD1 3.28Å; R2887-D2939 IonicContact CZ-OD2 3.76Å; R2887-D2939 IonicContact NE-OD1 2.98Å; R2887-D2939 PolarHBondContact NE-OD1 3.2Å; R2887-D2939 IonicContact NE-OD2 3.69Å; R2887-D2939 PolarHBondContact NE-OD2 2.96Å; R2887-D2939 VanDerWaalsContact NE-OD2 3.16Å; R2887-D2939 IonicContact NH2-OD1 3.22Å; R2887-D2939 PolarHBondContact NH2-OD1 3.21Å; R2887-D2939 IonicContact NH2-OD2 2.67Å; R2887-D3098 PolarHBondContact NH2-O 2.73Å; R2887-S3100 PolarHBondContact NH1-OG 3.17Å |
| 2888 | Q | 91.1 | Very high | 91.9 | Very high | 138.5 Ų | 138.5 | 39.5 Ų | 39.5 | 65% | 0.647 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -71.4 | -44.1 | 179.3 | -117.1 | 121.1 | -8.7 | 0 | 0 | 111.8 | N2886 R2890 R2891 S2892 | N2886-Q2888 VanDerWaalsContact C-N 3.26Å; N2886-Q2888 PolarHBondContact O-N 3.03Å; N2886-Q2888 VanDerWaalsContact O-N 3.14Å; N2886-Q2888 WeakPolarHBondContact OD1-CB 3.39Å; N2886-Q2888 PolarHBondContact OD1-N 3.16Å; Q2888-R2890 VanDerWaalsContact C-N 3.35Å; Q2888-R2890 PolarHBondContact O-N 3.11Å; Q2888-R2891 PolarHBondContact O-N 3.17Å; Q2888-S2892 VanDerWaalsContact O-CB 3.26Å; Q2888-S2892 WeakPolarHBondContact O-CB 3.42Å; Q2888-S2892 PolarHBondContact O-N 3Å |
| 2889 | Y | 92.9 | Very high | 92 | Very high | 62.5 Ų | 62.5 | 39.7 Ų | 39.7 | 25% | 0.245 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.8 | -43.3 | -179.7 | -59.8 | -13.9 | 0 | 0 | 0 | 111.4 | G2817 A2820 L2883 N2886 S2892 L2893 | G2817-Y2889 VanDerWaalsContact CA-CE2 3.47Å; G2817-Y2889 WeakPolarHBondContact CA-OH 3.34Å; A2820-Y2889 HydrophobicContact CB-CD1 4.21Å; A2820-Y2889 HydrophobicContact CB-CD2 4.39Å; A2820-Y2889 HydrophobicContact CB-CG 3.91Å; L2883-Y2889 HydrophobicContact CD2-CD2 4.41Å; N2886-Y2889 HydrophobicContact CB-CD1 4.48Å; N2886-Y2889 HydrophobicContact CB-CD2 3.51Å; N2886-Y2889 VanDerWaalsContact CB-CD2 3.41Å; N2886-Y2889 HydrophobicContact CB-CE2 3.99Å; N2886-Y2889 HydrophobicContact CB-CG 3.82Å; N2886-Y2889 WeakPolarHBondContact ND2-CD2 3.29Å; N2886-Y2889 WeakPolarHBondContact ND2-CE1 3.23Å; N2886-Y2889 VanDerWaalsContact ND2-CE2 3.31Å; N2886-Y2889 WeakPolarHBondContact ND2-CE2 3.36Å; N2886-Y2889 VanDerWaalsContact ND2-CZ 3.32Å; N2886-Y2889 PolarHBondContact O-N 3.05Å; N2886-Y2889 VanDerWaalsContact O-N 3.13Å; N2886-Y2889 PolarHBondContact OD1-N 3.2Å; Y2889-S2892 PolarHBondContact O-N 2.92Å; Y2889-L2893 WeakPolarHBondContact O-CB 3.34Å; Y2889-L2893 PolarHBondContact O-N 3.11Å |
| 2890 | R | 91 | Very high | 91.8 | Very high | 21.25 Ų | 21.25 | 40 Ų | 40 | 8% | 0.08 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.3 | -46.9 | 174.5 | 123.5 | -179 | 128.1 | -143.4 | 8.1 | 112.3 | Y2880 R2884 N2886 R2887 Q2888 L2893 I2894 D2939 E2940 E3104 | Y2880-R2890 HydrophobicContact CE2-CG 4.39Å; Y2880-R2890 WeakPolarHBondContact OH-CD 3.42Å; Y2880-R2890 WeakPolarHBondContact OH-CG 3.39Å; R2884-R2890 PolarHBondContact O-NH1 3.3Å; R2884-R2890 VanDerWaalsContact O-NH1 3.09Å; N2886-R2890 VanDerWaalsContact O-CB 3.3Å; N2886-R2890 WeakPolarHBondContact O-CB 3.37Å; N2886-R2890 PolarHBondContact O-N 3.12Å; N2886-R2890 VanDerWaalsContact O-N 3.11Å; R2887-R2890 VanDerWaalsContact CA-CZ 3.42Å; R2887-R2890 VanDerWaalsContact CG-NH2 3.29Å; R2887-R2890 WeakPolarHBondContact O-CG 3.17Å; Q2888-R2890 VanDerWaalsContact C-N 3.35Å; Q2888-R2890 PolarHBondContact O-N 3.11Å; R2890-L2893 PolarHBondContact O-N 3.17Å; R2890-I2894 HydrophobicContact CG-CD1 4.09Å; R2890-I2894 WeakPolarHBondContact O-CD1 3.4Å; R2890-I2894 VanDerWaalsContact O-CG1 3.3Å; R2890-I2894 WeakPolarHBondContact O-CG1 3.37Å; R2890-I2894 PolarHBondContact O-N 3Å; R2890-I2894 VanDerWaalsContact O-N 3.11Å; R2890-D2939 IonicContact CZ-OD2 3.19Å; R2890-D2939 IonicContact NE-OD2 3.25Å; R2890-D2939 IonicContact NH2-OD2 3.26Å; R2890-D2939 PolarHBondContact NH2-OD2 3.01Å; R2890-E2940 VanDerWaalsContact CD-OE1 3.24Å; R2890-E2940 WeakPolarHBondContact CD-OE1 3.36Å; R2890-E2940 VanDerWaalsContact CZ-CG 3.48Å; R2890-E2940 IonicContact CZ-OE1 3.22Å; R2890-E2940 IonicContact NE-OE1 3.7Å; R2890-E2940 PolarHBondContact NE-OE1 3.19Å; R2890-E2940 VanDerWaalsContact NH1-CD 3.3Å; R2890-E2940 IonicContact NH1-OE1 3.21Å; R2890-E2940 PolarHBondContact NH1-OE1 3.23Å; R2890-E2940 IonicContact NH2-OE1 3.04Å; R2890-E3104 IonicContact NH2-OE1 3.93Å; R2890-E3104 PolarHBondContact NH2-OE1 2.98Å |
| 2891 | R | 91.8 | Very high | 91.6 | Very high | 31.5 Ų | 31.5 | 39.9 Ų | 39.9 | 12% | 0.119 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.7 | -42.6 | 178.5 | -75.1 | -174.2 | 166.3 | -161.9 | -8.3 | 111.9 | R2887 Q2888 L2893 I2894 V2895 D2939 Y2943 Y3094 P3096 | R2887-R2891 HydrophobicContact CG-CG 4.49Å; R2887-R2891 VanDerWaalsContact O-CB 3.29Å; R2887-R2891 WeakPolarHBondContact O-CB 3.28Å; R2887-R2891 VanDerWaalsContact O-CG 3.25Å; R2887-R2891 WeakPolarHBondContact O-CG 3.4Å; R2887-R2891 PolarHBondContact O-N 3.16Å; Q2888-R2891 PolarHBondContact O-N 3.17Å; R2891-L2893 VanDerWaalsContact C-N 3.34Å; R2891-L2893 PolarHBondContact O-N 3.26Å; R2891-I2894 PolarHBondContact O-N 3.19Å; R2891-V2895 WeakPolarHBondContact O-CG2 3.27Å; R2891-V2895 PolarHBondContact O-N 3.28Å; R2891-D2939 IonicContact CZ-OD1 3.25Å; R2891-D2939 IonicContact NE-OD1 3.24Å; R2891-D2939 IonicContact NE-OD2 3.22Å; R2891-D2939 IonicContact NH2-OD1 3.26Å; R2891-D2939 PolarHBondContact NH2-OD1 3.26Å; R2891-Y2943 HydrophobicContact CB-CD1 4.31Å; R2891-Y2943 HydrophobicContact CB-CE1 3.57Å; R2891-Y2943 HydrophobicContact CG-CD1 3.77Å; R2891-Y2943 HydrophobicContact CG-CD2 4.48Å; R2891-Y2943 HydrophobicContact CG-CE1 3.48Å; R2891-Y2943 VanDerWaalsContact CG-CE1 3.47Å; R2891-Y2943 HydrophobicContact CG-CE2 4.28Å; R2891-Y2943 HydrophobicContact CG-CG 4.26Å; R2891-Y3094 PolarHBondContact NH2-OH 3.3Å; R2891-P3096 PolarHBondContact NH1-O 3.25Å; R2891-P3096 PolarHBondContact NH2-O 3.13Å; R2891-P3096 VanDerWaalsContact NH2-O 3.15Å |
| 2892 | S | 92.8 | Very high | 91.3 | Very high | 48.5 Ų | 48.5 | 39.4 Ų | 39.4 | 34% | 0.339 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.6 | -44.2 | 175.1 | -178.5 | 0 | 0 | 0 | 0 | 112 | Q2888 Y2889 I2894 V2895 N2896 | Q2888-S2892 VanDerWaalsContact O-CB 3.26Å; Q2888-S2892 WeakPolarHBondContact O-CB 3.42Å; Q2888-S2892 PolarHBondContact O-N 3Å; Y2889-S2892 PolarHBondContact O-N 2.92Å; S2892-I2894 VanDerWaalsContact C-N 3.34Å; S2892-I2894 PolarHBondContact O-N 3Å; S2892-V2895 PolarHBondContact O-N 3.12Å; S2892-N2896 VanDerWaalsContact O-CB 3.3Å; S2892-N2896 WeakPolarHBondContact O-CB 3.3Å; S2892-N2896 PolarHBondContact O-N 3.27Å; S2892-N2896 PolarHBondContact O-ND2 3.01Å; S2892-N2896 VanDerWaalsContact O-ND2 3.14Å; S2892-N2896 PolarHBondContact OG-ND2 3.17Å |
| 2893 | L | 94.3 | Very high | 90.6 | Very high | 2.75 Ų | 2.75 | 41.8 Ų | 41.8 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.2 | -47.2 | 174.5 | 176 | 59.3 | 0 | 0 | 0 | 112.1 | A2823 V2824 I2827 Y2880 L2883 Y2889 R2890 R2891 N2896 L2897 F2933 | A2823-L2893 HydrophobicContact CB-CD1 3.66Å; V2824-L2893 HydrophobicContact CG2-CD1 4.25Å; I2827-L2893 HydrophobicContact CD1-CD1 4.08Å; Y2880-L2893 HydrophobicContact CD2-CD2 4.11Å; Y2880-L2893 HydrophobicContact CE2-CD2 4.48Å; L2883-L2893 HydrophobicContact CD1-CD2 4.18Å; Y2889-L2893 WeakPolarHBondContact O-CB 3.34Å; Y2889-L2893 PolarHBondContact O-N 3.11Å; R2890-L2893 PolarHBondContact O-N 3.17Å; R2891-L2893 VanDerWaalsContact C-N 3.34Å; R2891-L2893 PolarHBondContact O-N 3.26Å; L2893-N2896 PolarHBondContact O-N 3.21Å; L2893-L2897 HydrophobicContact CD1-CD1 3.76Å; L2893-L2897 HydrophobicContact CD1-CG 3.96Å; L2893-L2897 HydrophobicContact CG-CD1 3.97Å; L2893-L2897 HydrophobicContact CG-CG 4.47Å; L2893-L2897 WeakPolarHBondContact O-CB 3.32Å; L2893-L2897 VanDerWaalsContact O-CG 3.3Å; L2893-L2897 WeakPolarHBondContact O-CG 3.35Å; L2893-L2897 PolarHBondContact O-N 3.25Å; L2893-F2933 HydrophobicContact CD2-CE2 4.5Å; L2893-F2933 HydrophobicContact CD2-CZ 4.25Å |
| 2894 | I | 94.2 | Very high | 89.7 | Confident | 0.5 Ų | 0.5 | 42.4 Ų | 42.4 | 0% | 0.003 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.4 | -47.2 | -179.4 | -69.4 | 159.9 | 0 | 0 | 0 | 110.9 | R2890 R2891 S2892 N2896 L2897 L2898 L2930 Y2943 V2944 L2947 | R2890-I2894 HydrophobicContact CG-CD1 4.09Å; R2890-I2894 WeakPolarHBondContact O-CD1 3.4Å; R2890-I2894 VanDerWaalsContact O-CG1 3.3Å; R2890-I2894 WeakPolarHBondContact O-CG1 3.37Å; R2890-I2894 PolarHBondContact O-N 3Å; R2890-I2894 VanDerWaalsContact O-N 3.11Å; R2891-I2894 PolarHBondContact O-N 3.19Å; S2892-I2894 VanDerWaalsContact C-N 3.34Å; S2892-I2894 PolarHBondContact O-N 3Å; I2894-N2896 PolarHBondContact O-N 3.3Å; I2894-L2897 PolarHBondContact O-N 3.05Å; I2894-L2898 HydrophobicContact CG2-CD1 3.99Å; I2894-L2898 WeakPolarHBondContact O-CB 3.3Å; I2894-L2898 WeakPolarHBondContact O-CG 3.46Å; I2894-L2898 PolarHBondContact O-N 3.09Å; I2894-L2930 HydrophobicContact CG2-CD2 4.44Å; I2894-Y2943 HydrophobicContact CB-CD1 4.4Å; I2894-Y2943 HydrophobicContact CB-CE1 4.29Å; I2894-Y2943 HydrophobicContact CD1-CD1 4.14Å; I2894-Y2943 HydrophobicContact CG2-CD1 4.09Å; I2894-Y2943 HydrophobicContact CG2-CE1 4.18Å; I2894-V2944 HydrophobicContact CD1-CG2 3.76Å; I2894-V2944 HydrophobicContact CG1-CG2 4.1Å; I2894-V2944 HydrophobicContact CG2-CG2 3.75Å; I2894-L2947 HydrophobicContact CG2-CD1 3.92Å |
| 2895 | V | 94.2 | Very high | 88.6 | Confident | 44 Ų | 44 | 41.9 Ų | 41.9 | 27% | 0.267 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.1 | -45.8 | 178 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | R2891 S2892 L2897 L2898 S2899 Y2943 L2947 | R2891-V2895 WeakPolarHBondContact O-CG2 3.27Å; R2891-V2895 PolarHBondContact O-N 3.28Å; S2892-V2895 PolarHBondContact O-N 3.12Å; V2895-L2897 VanDerWaalsContact C-N 3.33Å; V2895-L2897 PolarHBondContact O-N 3.01Å; V2895-L2898 PolarHBondContact O-N 3.07Å; V2895-S2899 PolarHBondContact O-N 3.15Å; V2895-Y2943 HydrophobicContact CG2-CE1 4.15Å; V2895-Y2943 VanDerWaalsContact CG2-OH 3.27Å; V2895-Y2943 WeakPolarHBondContact CG2-OH 3.41Å; V2895-L2947 HydrophobicContact CG2-CD1 3.72Å |
| 2896 | N | 94 | Very high | 87.6 | Confident | 65.25 Ų | 65.25 | 43.6 Ų | 43.6 | 35% | 0.349 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -75.3 | -19.4 | -176.8 | -62.8 | -19.3 | 0 | 0 | 0 | 113.3 | V2824 S2892 L2893 I2894 S2899 I2900 | V2824-N2896 HydrophobicContact CG2-CB 3.64Å; S2892-N2896 VanDerWaalsContact O-CB 3.3Å; S2892-N2896 WeakPolarHBondContact O-CB 3.3Å; S2892-N2896 PolarHBondContact O-N 3.27Å; S2892-N2896 PolarHBondContact O-ND2 3.01Å; S2892-N2896 VanDerWaalsContact O-ND2 3.14Å; S2892-N2896 PolarHBondContact OG-ND2 3.17Å; L2893-N2896 PolarHBondContact O-N 3.21Å; I2894-N2896 PolarHBondContact O-N 3.3Å; N2896-S2899 WeakPolarHBondContact CA-OG 3.49Å; N2896-S2899 PolarHBondContact O-OG 3.08Å; N2896-S2899 VanDerWaalsContact O-OG 3.11Å; N2896-I2900 WeakPolarHBondContact O-CG1 3.48Å |
| 2897 | L | 94.6 | Very high | 86 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -79 | -39.5 | 168 | -75.7 | 173 | 0 | 0 | 0 | 111.4 | V2824 I2827 L2893 I2894 V2895 S2899 I2900 I2926 L2930 F2933 | V2824-L2897 HydrophobicContact CG1-CD2 4.43Å; V2824-L2897 HydrophobicContact CG2-CD2 4.05Å; V2824-L2897 HydrophobicContact CG2-CG 4.16Å; I2827-L2897 HydrophobicContact CB-CD2 4.43Å; I2827-L2897 HydrophobicContact CD1-CD1 4.04Å; I2827-L2897 HydrophobicContact CD1-CD2 3.87Å; I2827-L2897 HydrophobicContact CD1-CG 4.45Å; I2827-L2897 HydrophobicContact CG2-CD2 4.06Å; L2893-L2897 HydrophobicContact CD1-CD1 3.76Å; L2893-L2897 HydrophobicContact CD1-CG 3.96Å; L2893-L2897 HydrophobicContact CG-CD1 3.97Å; L2893-L2897 HydrophobicContact CG-CG 4.47Å; L2893-L2897 WeakPolarHBondContact O-CB 3.32Å; L2893-L2897 VanDerWaalsContact O-CG 3.3Å; L2893-L2897 WeakPolarHBondContact O-CG 3.35Å; L2893-L2897 PolarHBondContact O-N 3.25Å; I2894-L2897 PolarHBondContact O-N 3.05Å; V2895-L2897 VanDerWaalsContact C-N 3.33Å; V2895-L2897 PolarHBondContact O-N 3.01Å; L2897-S2899 VanDerWaalsContact C-N 3.33Å; L2897-S2899 PolarHBondContact O-N 2.7Å; L2897-I2900 HydrophobicContact CD2-CD1 4.19Å; L2897-I2900 WeakPolarHBondContact O-CB 3.31Å; L2897-I2900 WeakPolarHBondContact O-CG1 3.39Å; L2897-I2900 PolarHBondContact O-N 3.08Å; L2897-I2926 HydrophobicContact CB-CG2 4.07Å; L2897-I2926 HydrophobicContact CD2-CG1 4.43Å; L2897-I2926 HydrophobicContact CD2-CG2 4.13Å; L2897-L2930 HydrophobicContact CB-CD2 4.42Å; L2897-L2930 HydrophobicContact CD1-CD2 4.44Å; L2897-F2933 HydrophobicContact CD1-CE2 3.75Å; L2897-F2933 HydrophobicContact CD1-CZ 3.89Å |
| 2898 | L | 93.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.5 | -29.8 | 177.4 | -76.9 | 169.7 | 0 | 0 | 0 | 112.8 | I2894 V2895 I2900 F2901 L2930 L2947 I2948 R2951 L3073 | I2894-L2898 HydrophobicContact CG2-CD1 3.99Å; I2894-L2898 WeakPolarHBondContact O-CB 3.3Å; I2894-L2898 WeakPolarHBondContact O-CG 3.46Å; I2894-L2898 PolarHBondContact O-N 3.09Å; V2895-L2898 PolarHBondContact O-N 3.07Å; L2898-I2900 PolarHBondContact O-N 3.08Å; L2898-I2900 VanDerWaalsContact O-N 3.16Å; L2898-F2901 HydrophobicContact CD2-CD2 4.44Å; L2898-F2901 HydrophobicContact CD2-CE2 4.45Å; L2898-F2901 WeakPolarHBondContact O-CB 3.33Å; L2898-F2901 PolarHBondContact O-N 3.11Å; L2898-F2901 VanDerWaalsContact O-N 3.1Å; L2898-L2930 HydrophobicContact CD2-CD1 3.53Å; L2898-L2930 VanDerWaalsContact CD2-CD1 3.49Å; L2898-L2930 HydrophobicContact CG-CD1 3.96Å; L2898-L2930 HydrophobicContact CG-CD2 4.44Å; L2898-L2947 HydrophobicContact CD1-CB 3.57Å; L2898-L2947 VanDerWaalsContact CD1-CB 3.49Å; L2898-L2947 HydrophobicContact CD1-CD1 4.04Å; L2898-L2947 HydrophobicContact CD1-CG 4.36Å; L2898-I2948 HydrophobicContact CD1-CG1 4.38Å; L2898-I2948 HydrophobicContact CD2-CG1 3.91Å; L2898-R2951 PolarHBondContact O-NH1 3.03Å; L2898-L3073 HydrophobicContact CD2-CD2 3.91Å |
| 2899 | S | 91.3 | Very high | 82.2 | Confident | 31.75 Ų | 31.75 | 44.6 Ų | 44.6 | 22% | 0.222 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18.4 | 175.2 | 63.1 | 0 | 0 | 0 | 0 | 113.9 | V2895 N2896 L2897 F2901 D2902 E2903 | V2895-S2899 PolarHBondContact O-N 3.15Å; N2896-S2899 WeakPolarHBondContact CA-OG 3.49Å; N2896-S2899 PolarHBondContact O-OG 3.08Å; N2896-S2899 VanDerWaalsContact O-OG 3.11Å; L2897-S2899 VanDerWaalsContact C-N 3.33Å; L2897-S2899 PolarHBondContact O-N 2.7Å; S2899-F2901 VanDerWaalsContact C-N 3.25Å; S2899-F2901 PolarHBondContact O-N 3.06Å; S2899-D2902 WeakPolarHBondContact CA-OD2 3.43Å; S2899-D2902 WeakPolarHBondContact O-CA 3.31Å; S2899-D2902 VanDerWaalsContact O-CB 3.32Å; S2899-D2902 WeakPolarHBondContact O-CB 3.34Å; S2899-D2902 PolarHBondContact O-N 3.12Å; S2899-D2902 VanDerWaalsContact O-N 3.08Å; S2899-E2903 PolarHBondContact O-N 2.95Å; S2899-E2903 VanDerWaalsContact O-N 3.09Å |
| 2900 | I | 90 | Very high | 80 | Confident | 6.75 Ų | 6.75 | 45.6 Ų | 45.6 | 4% | 0.035 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.9 | -29.8 | 175.2 | -51.6 | 178.9 | 0 | 0 | 0 | 110.9 | V2824 R2828 N2896 L2897 L2898 D2902 E2903 Y2904 L2923 I2926 | V2824-I2900 HydrophobicContact CG1-CD1 3.73Å; V2824-I2900 HydrophobicContact CG1-CG1 4.44Å; R2828-I2900 HydrophobicContact CG-CD1 4.44Å; R2828-I2900 VanDerWaalsContact NH2-CG2 3.35Å; N2896-I2900 WeakPolarHBondContact O-CG1 3.48Å; L2897-I2900 HydrophobicContact CD2-CD1 4.19Å; L2897-I2900 WeakPolarHBondContact O-CB 3.31Å; L2897-I2900 WeakPolarHBondContact O-CG1 3.39Å; L2897-I2900 PolarHBondContact O-N 3.08Å; L2898-I2900 PolarHBondContact O-N 3.08Å; L2898-I2900 VanDerWaalsContact O-N 3.16Å; I2900-D2902 VanDerWaalsContact C-N 3.26Å; I2900-D2902 PolarHBondContact O-N 3.11Å; I2900-E2903 PolarHBondContact O-N 3.14Å; I2900-Y2904 PolarHBondContact O-N 3.12Å; I2900-L2923 HydrophobicContact CG2-CD2 4.01Å; I2900-I2926 HydrophobicContact CB-CD1 4.06Å; I2900-I2926 HydrophobicContact CD1-CD1 3.51Å; I2900-I2926 VanDerWaalsContact CD1-CD1 3.46Å; I2900-I2926 HydrophobicContact CD1-CG1 4.44Å; I2900-I2926 HydrophobicContact CG1-CD1 4.35Å; I2900-I2926 HydrophobicContact CG2-CD1 3.75Å |
| 2901 | F | 89.5 | Confident | 77.6 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.7 | -25.8 | 173.4 | -68.3 | -106.7 | 0 | 0 | 0 | 112 | L2898 S2899 L2923 I2926 A2927 L2930 S3069 L3072 L3073 I3076 | L2898-F2901 HydrophobicContact CD2-CD2 4.44Å; L2898-F2901 HydrophobicContact CD2-CE2 4.45Å; L2898-F2901 WeakPolarHBondContact O-CB 3.33Å; L2898-F2901 PolarHBondContact O-N 3.11Å; L2898-F2901 VanDerWaalsContact O-N 3.1Å; S2899-F2901 VanDerWaalsContact C-N 3.25Å; S2899-F2901 PolarHBondContact O-N 3.06Å; F2901-L2923 HydrophobicContact CD1-CD1 4.46Å; F2901-L2923 HydrophobicContact CD1-CD2 4.05Å; F2901-L2923 HydrophobicContact CD2-CD2 4.03Å; F2901-L2923 HydrophobicContact CE1-CB 4.41Å; F2901-L2923 HydrophobicContact CE1-CD2 4.24Å; F2901-L2923 HydrophobicContact CE2-CD2 4.21Å; F2901-L2923 HydrophobicContact CG-CD2 3.95Å; F2901-L2923 HydrophobicContact CZ-CD2 4.3Å; F2901-I2926 HydrophobicContact CE2-CB 4.43Å; F2901-I2926 HydrophobicContact CE2-CG2 3.86Å; F2901-I2926 HydrophobicContact CZ-CG2 4.45Å; F2901-A2927 HydrophobicContact CZ-CB 4.32Å; F2901-L2930 HydrophobicContact CE2-CD1 4.17Å; F2901-S3069 WeakPolarHBondContact CD1-OG 3.29Å; F2901-S3069 PolarHBondContact O-OG 3.1Å; F2901-L3072 HydrophobicContact CE1-CB 4.39Å; F2901-L3072 HydrophobicContact CE1-CD2 3.98Å; F2901-L3072 HydrophobicContact CE1-CG 4.2Å; F2901-L3072 HydrophobicContact CZ-CD2 4.34Å; F2901-L3073 HydrophobicContact CB-CD1 4.42Å; F2901-L3073 HydrophobicContact CD1-CD1 4.14Å; F2901-L3073 HydrophobicContact CD1-CD2 3.7Å; F2901-L3073 HydrophobicContact CD1-CG 3.67Å; F2901-L3073 HydrophobicContact CD2-CD2 4.4Å; F2901-L3073 HydrophobicContact CE1-CD2 3.8Å; F2901-L3073 HydrophobicContact CE1-CG 3.96Å; F2901-L3073 HydrophobicContact CE2-CD2 4.48Å; F2901-L3073 HydrophobicContact CG-CD1 4.49Å; F2901-L3073 HydrophobicContact CG-CD2 4.03Å; F2901-L3073 HydrophobicContact CG-CG 4.32Å; F2901-L3073 HydrophobicContact CZ-CD2 4.22Å; F2901-I3076 HydrophobicContact CZ-CD1 4.28Å |
| 2902 | D | 84.4 | Confident | 75.5 | Confident | 35.5 Ų | 35.5 | 55.5 Ų | 55.5 | 19% | 0.19 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -80.9 | -39.8 | 173.8 | -46.8 | -32.1 | 0 | 0 | 0 | 111.7 | S2899 I2900 Y2904 Q2905 K2906 R2951 | S2899-D2902 WeakPolarHBondContact CA-OD2 3.43Å; S2899-D2902 WeakPolarHBondContact O-CA 3.31Å; S2899-D2902 VanDerWaalsContact O-CB 3.32Å; S2899-D2902 WeakPolarHBondContact O-CB 3.34Å; S2899-D2902 PolarHBondContact O-N 3.12Å; S2899-D2902 VanDerWaalsContact O-N 3.08Å; I2900-D2902 VanDerWaalsContact C-N 3.26Å; I2900-D2902 PolarHBondContact O-N 3.11Å; D2902-Y2904 PolarHBondContact O-N 3.05Å; D2902-Q2905 VanDerWaalsContact O-CB 3.3Å; D2902-Q2905 WeakPolarHBondContact O-CB 3.37Å; D2902-Q2905 PolarHBondContact O-N 3.29Å; D2902-K2906 PolarHBondContact O-N 3.09Å; D2902-R2951 IonicContact OD1-CZ 3.1Å; D2902-R2951 IonicContact OD1-NH1 3.58Å; D2902-R2951 PolarHBondContact OD1-NH1 3.22Å; D2902-R2951 IonicContact OD2-CZ 3.55Å; D2902-R2951 IonicContact OD2-NH1 3.01Å; D2902-R2951 PolarHBondContact OD2-NH1 3.21Å; D2902-R2951 IonicContact OD2-NH2 3.33Å |
| 2903 | E | 76 | Confident | 73.3 | Confident | 85.75 Ų | 85.75 | 59 Ų | 59 | 40% | 0.401 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.5 | -38.4 | 177.3 | -75.1 | 175.6 | -148.9 | 0 | 0 | 111.6 | R2828 S2899 I2900 Q2905 K2906 S2907 | R2828-E2903 IonicContact CZ-OE1 2.87Å; R2828-E2903 IonicContact CZ-OE2 3.52Å; R2828-E2903 VanDerWaalsContact CZ-OE2 3.3Å; R2828-E2903 IonicContact NH1-OE1 2.69Å; R2828-E2903 IonicContact NH1-OE2 3.68Å; R2828-E2903 PolarHBondContact NH1-OE2 3.08Å; R2828-E2903 VanDerWaalsContact NH1-OE2 3.1Å; R2828-E2903 IonicContact NH2-OE1 3.22Å; R2828-E2903 PolarHBondContact NH2-OE1 3.18Å; R2828-E2903 IonicContact NH2-OE2 3.14Å; R2828-E2903 PolarHBondContact NH2-OE2 3.06Å; S2899-E2903 PolarHBondContact O-N 2.95Å; S2899-E2903 VanDerWaalsContact O-N 3.09Å; I2900-E2903 PolarHBondContact O-N 3.14Å; E2903-Q2905 PolarHBondContact O-N 3.15Å; E2903-Q2905 VanDerWaalsContact O-N 3.13Å; E2903-K2906 PolarHBondContact O-N 3.25Å; E2903-S2907 PolarHBondContact O-N 3.41Å |
| 2904 | Y | 71 | Confident | 71.2 | Confident | 14.75 Ų | 14.75 | 65.5 Ų | 65.5 | 6% | 0.058 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.5 | -31.6 | 175.5 | -168.8 | -118.7 | 0 | 0 | 0 | 112.8 | I2900 D2902 S2907 I2916 R2919 L2923 Y3065 | I2900-Y2904 PolarHBondContact O-N 3.12Å; D2902-Y2904 PolarHBondContact O-N 3.05Å; Y2904-S2907 PolarHBondContact O-OG 2.69Å; Y2904-I2916 HydrophobicContact CE2-CG2 4.29Å; Y2904-I2916 WeakPolarHBondContact OH-CG2 3.39Å; Y2904-R2919 HydrophobicContact CD2-CB 3.83Å; Y2904-R2919 HydrophobicContact CE2-CB 3.66Å; Y2904-L2923 HydrophobicContact CD1-CD1 3.66Å; Y2904-L2923 HydrophobicContact CD2-CD1 4.15Å; Y2904-L2923 HydrophobicContact CE1-CD1 4.08Å; Y2904-L2923 HydrophobicContact CE2-CD1 4.4Å; Y2904-L2923 HydrophobicContact CG-CD1 3.7Å; Y2904-Y3065 WeakPolarHBondContact CD1-O 3.3Å; Y2904-Y3065 WeakPolarHBondContact CE1-O 3.33Å |
| 2905 | Q | 66.6 | Low | 69.6 | Low | 52.5 Ų | 52.5 | 69.2 Ų | 69.2 | 25% | 0.245 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -78 | -34.4 | 177.3 | -50.9 | -171.1 | -39.5 | 0 | 0 | 113.3 | D2902 E2903 S2907 I2955 A3066 | D2902-Q2905 VanDerWaalsContact O-CB 3.3Å; D2902-Q2905 WeakPolarHBondContact O-CB 3.37Å; D2902-Q2905 PolarHBondContact O-N 3.29Å; E2903-Q2905 PolarHBondContact O-N 3.15Å; E2903-Q2905 VanDerWaalsContact O-N 3.13Å; Q2905-S2907 PolarHBondContact O-N 2.93Å; Q2905-I2955 VanDerWaalsContact NE2-CG1 3.3Å; Q2905-I2955 VanDerWaalsContact NE2-CG2 3.34Å; Q2905-A3066 HydrophobicContact CG-CB 4.3Å |
| 2906 | K | 66.1 | Low | 68 | Low | 164 Ų | 164 | 68.4 Ų | 68.4 | 71% | 0.713 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -73.2 | -22.2 | -173.8 | -69.2 | 177 | -176.8 | 172.8 | 0 | 113.2 | D2902 E2903 L2908 | D2902-K2906 PolarHBondContact O-N 3.09Å; E2903-K2906 PolarHBondContact O-N 3.25Å; K2906-L2908 PolarHBondContact O-N 3.14Å; K2906-L2908 VanDerWaalsContact O-N 3.08Å |
| 2907 | S | 56.6 | Low | 66.7 | Low | 30 Ų | 30 | 68.2 Ų | 68.2 | 21% | 0.21 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 19.2 | -178.5 | 135.7 | 0 | 0 | 0 | 0 | 115.2 | E2903 Y2904 Q2905 H2909 T2910 R2919 | E2903-S2907 PolarHBondContact O-N 3.41Å; Y2904-S2907 PolarHBondContact O-OG 2.69Å; Q2905-S2907 PolarHBondContact O-N 2.93Å; S2907-H2909 PolarHBondContact O-N 3.1Å; S2907-T2910 PolarHBondContact O-N 3.39Å; S2907-T2910 PolarHBondContact O-OG1 3.26Å; S2907-T2910 PolarHBondContact OG-OG1 2.93Å; S2907-R2919 VanDerWaalsContact CB-NH1 3.33Å; S2907-R2919 PolarHBondContact OG-NH1 3.14Å; S2907-R2919 PolarHBondContact OG-NH2 3.3Å |
| 2908 | L | 52.7 | Low | 65.7 | Low | 74.75 Ų | 74.75 | 72.1 Ų | 72.1 | 39% | 0.391 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -8.8 | -179.3 | -148.4 | 80.4 | 0 | 0 | 0 | 115 | K2906 Y3065 | K2906-L2908 PolarHBondContact O-N 3.14Å; K2906-L2908 VanDerWaalsContact O-N 3.08Å; L2908-Y3065 HydrophobicContact CD1-CD2 3.64Å; L2908-Y3065 HydrophobicContact CD1-CE2 4.01Å |
| 2909 | H | 49 | Very low | 65.1 | Low | 164.5 Ų | 164.5 | 75.1 Ų | 75.1 | 76% | 0.762 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131 | 8 | -166.9 | -64 | -59.4 | 0 | 0 | 0 | 115.6 | S2907 | S2907-H2909 PolarHBondContact O-N 3.1Š|
| 2910 | T | 45.6 | Very low | 64.9 | Low | 82.75 Ų | 82.75 | 73.8 Ų | 73.8 | 51% | 0.508 | 37% | 0.37 | S | S | . | . | trans | -110 | 115.1 | 179.2 | 42.1 | 0 | 0 | 0 | 0 | 112.1 | S2907 E2912 | S2907-T2910 PolarHBondContact O-N 3.39Å; S2907-T2910 PolarHBondContact O-OG1 3.26Å; S2907-T2910 PolarHBondContact OG-OG1 2.93Å; T2910-E2912 VanDerWaalsContact C-N 3.28Å; T2910-E2912 PolarHBondContact O-N 3.21Å; T2910-E2912 VanDerWaalsContact O-N 3.11Å | ||
| 2911 | T | 42.2 | Very low | 64.7 | Low | 135.25 Ų | 135.25 | 73.9 Ų | 73.9 | 83% | 0.83 | 37% | 0.372 | S | S | * | . | trans | -77 | 32.1 | -172.4 | 8.7 | 0 | 0 | 0 | 0 | 115.2 | N2913 E3366 | T2911-N2913 PolarHBondContact O-N 3.29Å; T2911-E3366 WeakPolarHBondContact CB-OE1 3.42Å; T2911-E3366 PolarHBondContact OG1-OE1 2.73Å | ||
| 2912 | E | 47.7 | Very low | 64.8 | Low | 127 Ų | 127 | 75.3 Ų | 75.3 | 59% | 0.593 | 38% | 0.378 | S | S | * | . | trans | -107.6 | 114.5 | -176.9 | -66 | -177.1 | 172.3 | 0 | 0 | 111.7 | T2910 E2914 N2915 | T2910-E2912 VanDerWaalsContact C-N 3.28Å; T2910-E2912 PolarHBondContact O-N 3.21Å; T2910-E2912 VanDerWaalsContact O-N 3.11Å; E2912-E2914 PolarHBondContact O-N 3.12Å; E2912-N2915 HydrophobicContact CB-CB 3.96Å; E2912-N2915 WeakPolarHBondContact O-CB 3.34Å; E2912-N2915 PolarHBondContact O-N 2.91Å; E2912-N2915 VanDerWaalsContact O-N 3.12Å; E2912-N2915 PolarHBondContact OE2-ND2 3.01Å | ||
| 2913 | N | 45.3 | Very low | 65.2 | Low | 120.5 Ų | 120.5 | 73.8 Ų | 73.8 | 64% | 0.644 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 2 | -168.7 | -72 | -54.2 | 0 | 0 | 0 | 114.6 | T2911 N2915 I2916 | T2911-N2913 PolarHBondContact O-N 3.29Å; N2913-N2915 PolarHBondContact O-N 3.38Å; N2913-N2915 VanDerWaalsContact O-N 3.11Å; N2913-I2916 PolarHBondContact O-N 3.29Å; N2913-I2916 VanDerWaalsContact O-N 3.13Å |
| 2914 | E | 51.3 | Low | 66 | Low | 139.5 Ų | 139.5 | 69.7 Ų | 69.7 | 65% | 0.652 | 35% | 0.351 | S | S | * | . | trans | -67 | 43.2 | 171.3 | -71.6 | -160.9 | 142.4 | 0 | 0 | 111.5 | E2912 I2916 N2918 R2919 | E2912-E2914 PolarHBondContact O-N 3.12Å; E2914-I2916 VanDerWaalsContact C-N 3.28Å; E2914-I2916 PolarHBondContact O-N 3.2Å; E2914-N2918 PolarHBondContact O-ND2 3.16Å; E2914-R2919 IonicContact OE2-CZ 3.32Å; E2914-R2919 IonicContact OE2-NE 3.32Å; E2914-R2919 PolarHBondContact OE2-NE 3.46Å; E2914-R2919 IonicContact OE2-NH2 3.28Å; E2914-R2919 PolarHBondContact OE2-NH2 3.35Å | ||
| 2915 | N | 60 | Low | 67.1 | Low | 79.25 Ų | 79.25 | 69 Ų | 69 | 42% | 0.424 | 35% | 0.348 | S | S | . | . | trans | -61.8 | 47.1 | 178.7 | -93.3 | -27.2 | 0 | 0 | 0 | 111.7 | E2912 N2913 Q2917 N2918 R2919 | E2912-N2915 HydrophobicContact CB-CB 3.96Å; E2912-N2915 WeakPolarHBondContact O-CB 3.34Å; E2912-N2915 PolarHBondContact O-N 2.91Å; E2912-N2915 VanDerWaalsContact O-N 3.12Å; E2912-N2915 PolarHBondContact OE2-ND2 3.01Å; N2913-N2915 PolarHBondContact O-N 3.38Å; N2913-N2915 VanDerWaalsContact O-N 3.11Å; N2915-Q2917 PolarHBondContact O-N 3.19Å; N2915-Q2917 VanDerWaalsContact O-N 3.1Å; N2915-N2918 WeakPolarHBondContact O-CA 3.43Å; N2915-N2918 VanDerWaalsContact O-CB 3.31Å; N2915-N2918 WeakPolarHBondContact O-CB 3.42Å; N2915-N2918 PolarHBondContact O-N 3.23Å; N2915-R2919 VanDerWaalsContact CG-NH2 3.27Å; N2915-R2919 WeakPolarHBondContact O-CB 3.33Å; N2915-R2919 VanDerWaalsContact O-CD 3.25Å; N2915-R2919 WeakPolarHBondContact O-CD 3.48Å; N2915-R2919 WeakPolarHBondContact O-CG 3.4Å; N2915-R2919 PolarHBondContact O-N 3.11Å; N2915-R2919 PolarHBondContact O-NE 2.99Å; N2915-R2919 VanDerWaalsContact O-NE 3.12Å; N2915-R2919 PolarHBondContact OD1-NE 3.32Å; N2915-R2919 PolarHBondContact OD1-NH2 2.74Å | ||
| 2916 | I | 61.8 | Low | 68.4 | Low | 27.5 Ų | 27.5 | 66.5 Ų | 66.5 | 14% | 0.141 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.3 | -36.6 | -175.2 | -69.4 | 154.8 | 0 | 0 | 0 | 111.9 | Y2904 N2913 E2914 N2918 R2919 L2920 Y3065 | Y2904-I2916 HydrophobicContact CE2-CG2 4.29Å; Y2904-I2916 WeakPolarHBondContact OH-CG2 3.39Å; N2913-I2916 PolarHBondContact O-N 3.29Å; N2913-I2916 VanDerWaalsContact O-N 3.13Å; E2914-I2916 VanDerWaalsContact C-N 3.28Å; E2914-I2916 PolarHBondContact O-N 3.2Å; I2916-N2918 VanDerWaalsContact C-N 3.32Å; I2916-N2918 PolarHBondContact O-N 3.15Å; I2916-R2919 WeakPolarHBondContact O-CB 3.29Å; I2916-R2919 PolarHBondContact O-N 3.36Å; I2916-R2919 VanDerWaalsContact O-N 3.11Å; I2916-L2920 PolarHBondContact O-N 3.23Å; I2916-L2920 VanDerWaalsContact O-N 3.12Å; I2916-Y3065 HydrophobicContact CD1-CE1 3.94Å; I2916-Y3065 HydrophobicContact CG1-CE1 4.47Å; I2916-Y3065 HydrophobicContact CG2-CE1 4.38Å |
| 2917 | Q | 64.8 | Low | 69.8 | Low | 59.25 Ų | 59.25 | 58.7 Ų | 58.7 | 28% | 0.277 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.2 | -42.9 | 172.4 | -170.8 | -173.9 | 9.9 | 0 | 0 | 112.3 | N2915 R2919 L2920 S2921 V3130 T3133 | N2915-Q2917 PolarHBondContact O-N 3.19Å; N2915-Q2917 VanDerWaalsContact O-N 3.1Å; Q2917-R2919 PolarHBondContact O-N 3.02Å; Q2917-L2920 PolarHBondContact O-N 3.18Å; Q2917-S2921 VanDerWaalsContact O-CB 3.31Å; Q2917-S2921 WeakPolarHBondContact O-CB 3.41Å; Q2917-S2921 PolarHBondContact O-N 3.05Å; Q2917-S2921 PolarHBondContact O-OG 2.94Å; Q2917-V3130 HydrophobicContact CG-CG1 3.95Å; Q2917-V3130 PolarHBondContact NE2-O 3Å; Q2917-T3133 VanDerWaalsContact OE1-CG2 3.26Å |
| 2918 | N | 74.2 | Confident | 71.5 | Confident | 83.25 Ų | 83.25 | 57.3 Ų | 57.3 | 45% | 0.445 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.4 | -33.7 | 177.1 | -72.1 | -24.2 | 0 | 0 | 0 | 112.1 | H2831 E2914 N2915 I2916 S2921 Q2922 | H2831-N2918 PolarHBondContact CE1-O 3.26Å; E2914-N2918 PolarHBondContact O-ND2 3.16Å; N2915-N2918 WeakPolarHBondContact O-CA 3.43Å; N2915-N2918 VanDerWaalsContact O-CB 3.31Å; N2915-N2918 WeakPolarHBondContact O-CB 3.42Å; N2915-N2918 PolarHBondContact O-N 3.23Å; I2916-N2918 VanDerWaalsContact C-N 3.32Å; I2916-N2918 PolarHBondContact O-N 3.15Å; N2918-S2921 WeakPolarHBondContact CA-OG 3.21Å; N2918-S2921 PolarHBondContact O-N 2.98Å; N2918-S2921 PolarHBondContact O-OG 3.08Å; N2918-S2921 VanDerWaalsContact O-OG 3.13Å; N2918-Q2922 WeakPolarHBondContact O-CB 3.19Å; N2918-Q2922 PolarHBondContact O-N 3.21Å |
| 2919 | R | 81.3 | Confident | 73.5 | Confident | 63.5 Ų | 63.5 | 53.7 Ų | 53.7 | 24% | 0.24 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73 | -42.1 | 175.4 | -69 | 173.1 | -177.4 | 179.9 | 1.1 | 112 | Y2904 S2907 E2914 N2915 I2916 Q2917 S2921 Q2922 L2923 | Y2904-R2919 HydrophobicContact CD2-CB 3.83Å; Y2904-R2919 HydrophobicContact CE2-CB 3.66Å; S2907-R2919 VanDerWaalsContact CB-NH1 3.33Å; S2907-R2919 PolarHBondContact OG-NH1 3.14Å; S2907-R2919 PolarHBondContact OG-NH2 3.3Å; E2914-R2919 IonicContact OE2-CZ 3.32Å; E2914-R2919 IonicContact OE2-NE 3.32Å; E2914-R2919 PolarHBondContact OE2-NE 3.46Å; E2914-R2919 IonicContact OE2-NH2 3.28Å; E2914-R2919 PolarHBondContact OE2-NH2 3.35Å; N2915-R2919 VanDerWaalsContact CG-NH2 3.27Å; N2915-R2919 WeakPolarHBondContact O-CB 3.33Å; N2915-R2919 VanDerWaalsContact O-CD 3.25Å; N2915-R2919 WeakPolarHBondContact O-CD 3.48Å; N2915-R2919 WeakPolarHBondContact O-CG 3.4Å; N2915-R2919 PolarHBondContact O-N 3.11Å; N2915-R2919 PolarHBondContact O-NE 2.99Å; N2915-R2919 VanDerWaalsContact O-NE 3.12Å; N2915-R2919 PolarHBondContact OD1-NE 3.32Å; N2915-R2919 PolarHBondContact OD1-NH2 2.74Å; I2916-R2919 WeakPolarHBondContact O-CB 3.29Å; I2916-R2919 PolarHBondContact O-N 3.36Å; I2916-R2919 VanDerWaalsContact O-N 3.11Å; Q2917-R2919 PolarHBondContact O-N 3.02Å; R2919-S2921 VanDerWaalsContact C-N 3.33Å; R2919-Q2922 CarbonylContact O-C 3.52Å; R2919-Q2922 WeakPolarHBondContact O-CA 3.14Å; R2919-Q2922 WeakPolarHBondContact O-CB 3.37Å; R2919-Q2922 PolarHBondContact O-N 3.29Å; R2919-Q2922 VanDerWaalsContact O-N 3.15Å; R2919-L2923 WeakPolarHBondContact O-CG 3.43Å; R2919-L2923 PolarHBondContact O-N 3.08Å |
| 2920 | L | 86.7 | Confident | 75.7 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.8 | -37.1 | 176 | -173.5 | 55.9 | 0 | 0 | 0 | 111.9 | I2916 Q2917 Q2922 L2923 I2924 P3068 V3130 | I2916-L2920 PolarHBondContact O-N 3.23Å; I2916-L2920 VanDerWaalsContact O-N 3.12Å; Q2917-L2920 PolarHBondContact O-N 3.18Å; L2920-Q2922 VanDerWaalsContact C-N 3.3Å; L2920-Q2922 PolarHBondContact O-N 2.83Å; L2920-L2923 HydrophobicContact CD1-CD1 4.39Å; L2920-L2923 PolarHBondContact O-N 3.08Å; L2920-L2923 VanDerWaalsContact O-N 3.13Å; L2920-I2924 WeakPolarHBondContact O-CG1 3.22Å; L2920-I2924 PolarHBondContact O-N 3.37Å; L2920-P3068 HydrophobicContact CD1-CB 3.85Å; L2920-P3068 HydrophobicContact CD2-CB 4.06Å; L2920-V3130 HydrophobicContact CB-CG2 4.36Å; L2920-V3130 HydrophobicContact CD2-CG2 3.51Å; L2920-V3130 VanDerWaalsContact CD2-CG2 3.48Å; L2920-V3130 HydrophobicContact CG-CG2 3.69Å |
| 2921 | S | 86.9 | Confident | 78 | Confident | 9.75 Ų | 9.75 | 41.9 Ų | 41.9 | 7% | 0.068 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.4 | -40.5 | 169 | 155 | 0 | 0 | 0 | 0 | 112 | H2831 Q2917 N2918 R2919 L2923 I2924 F2925 | H2831-S2921 PolarHBondContact CE1-OG 3.43Å; H2831-S2921 PolarHBondContact NE2-OG 3.18Å; Q2917-S2921 VanDerWaalsContact O-CB 3.31Å; Q2917-S2921 WeakPolarHBondContact O-CB 3.41Å; Q2917-S2921 PolarHBondContact O-N 3.05Å; Q2917-S2921 PolarHBondContact O-OG 2.94Å; N2918-S2921 WeakPolarHBondContact CA-OG 3.21Å; N2918-S2921 PolarHBondContact O-N 2.98Å; N2918-S2921 PolarHBondContact O-OG 3.08Å; N2918-S2921 VanDerWaalsContact O-OG 3.13Å; R2919-S2921 VanDerWaalsContact C-N 3.33Å; S2921-L2923 VanDerWaalsContact C-N 3.34Å; S2921-L2923 PolarHBondContact O-N 3.23Å; S2921-I2924 PolarHBondContact O-N 3.18Å; S2921-F2925 WeakPolarHBondContact O-CB 3.43Å; S2921-F2925 PolarHBondContact O-N 3.09Å |
| 2922 | Q | 90.9 | Very high | 80.3 | Confident | 29.25 Ų | 29.25 | 36.5 Ų | 36.5 | 14% | 0.137 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64 | -40.4 | 174.6 | -174.7 | 170.9 | 98.7 | 0 | 0 | 112 | R2828 H2831 N2918 R2919 L2920 I2924 F2925 I2926 | R2828-Q2922 VanDerWaalsContact NE-OE1 3.1Å; H2831-Q2922 HydrophobicContact CB-CG 4.45Å; H2831-Q2922 PolarHBondContact CE1-N 3.02Å; H2831-Q2922 PolarHBondContact ND1-NE2 3.32Å; H2831-Q2922 PolarHBondContact NE2-N 3.01Å; N2918-Q2922 WeakPolarHBondContact O-CB 3.19Å; N2918-Q2922 PolarHBondContact O-N 3.21Å; R2919-Q2922 CarbonylContact O-C 3.52Å; R2919-Q2922 WeakPolarHBondContact O-CA 3.14Å; R2919-Q2922 WeakPolarHBondContact O-CB 3.37Å; R2919-Q2922 PolarHBondContact O-N 3.29Å; R2919-Q2922 VanDerWaalsContact O-N 3.15Å; L2920-Q2922 VanDerWaalsContact C-N 3.3Å; L2920-Q2922 PolarHBondContact O-N 2.83Å; Q2922-I2924 PolarHBondContact O-N 2.9Å; Q2922-F2925 WeakPolarHBondContact O-CB 3.44Å; Q2922-F2925 PolarHBondContact O-N 3.33Å; Q2922-I2926 HydrophobicContact CG-CD1 3.9Å; Q2922-I2926 WeakPolarHBondContact O-CD1 3.21Å; Q2922-I2926 VanDerWaalsContact O-CG1 3.27Å; Q2922-I2926 WeakPolarHBondContact O-CG1 3.33Å; Q2922-I2926 PolarHBondContact O-N 3.04Å |
| 2923 | L | 92.5 | Very high | 82.5 | Confident | 2.75 Ų | 2.75 | 30.6 Ų | 30.6 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 174.3 | -69.5 | -179.1 | 0 | 0 | 0 | 111.8 | I2900 F2901 Y2904 R2919 L2920 S2921 F2925 I2926 A2927 L3072 | I2900-L2923 HydrophobicContact CG2-CD2 4.01Å; F2901-L2923 HydrophobicContact CD1-CD1 4.46Å; F2901-L2923 HydrophobicContact CD1-CD2 4.05Å; F2901-L2923 HydrophobicContact CD2-CD2 4.03Å; F2901-L2923 HydrophobicContact CE1-CB 4.41Å; F2901-L2923 HydrophobicContact CE1-CD2 4.24Å; F2901-L2923 HydrophobicContact CE2-CD2 4.21Å; F2901-L2923 HydrophobicContact CG-CD2 3.95Å; F2901-L2923 HydrophobicContact CZ-CD2 4.3Å; Y2904-L2923 HydrophobicContact CD1-CD1 3.66Å; Y2904-L2923 HydrophobicContact CD2-CD1 4.15Å; Y2904-L2923 HydrophobicContact CE1-CD1 4.08Å; Y2904-L2923 HydrophobicContact CE2-CD1 4.4Å; Y2904-L2923 HydrophobicContact CG-CD1 3.7Å; R2919-L2923 WeakPolarHBondContact O-CG 3.43Å; R2919-L2923 PolarHBondContact O-N 3.08Å; L2920-L2923 HydrophobicContact CD1-CD1 4.39Å; L2920-L2923 PolarHBondContact O-N 3.08Å; L2920-L2923 VanDerWaalsContact O-N 3.13Å; S2921-L2923 VanDerWaalsContact C-N 3.34Å; S2921-L2923 PolarHBondContact O-N 3.23Å; L2923-F2925 VanDerWaalsContact C-N 3.32Å; L2923-F2925 PolarHBondContact O-N 3.22Å; L2923-I2926 PolarHBondContact O-N 3.32Å; L2923-A2927 VanDerWaalsContact O-CB 3.3Å; L2923-A2927 WeakPolarHBondContact O-CB 3.34Å; L2923-A2927 PolarHBondContact O-N 3.15Å; L2923-L3072 VanDerWaalsContact C-CD2 3.48Å; L2923-L3072 HydrophobicContact CB-CD2 3.83Å; L2923-L3072 WeakPolarHBondContact O-CD2 3.45Å |
| 2924 | I | 92.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.7 | -44 | 174.4 | -70.3 | 165.8 | 0 | 0 | 0 | 110.8 | I2846 L2920 S2921 Q2922 I2926 A2927 D2928 L3072 L3122 V3126 V3130 | I2846-I2924 HydrophobicContact CD1-CD1 4.22Å; I2846-I2924 HydrophobicContact CG2-CB 4.47Å; I2846-I2924 HydrophobicContact CG2-CD1 4.07Å; I2846-I2924 HydrophobicContact CG2-CG2 4.03Å; L2920-I2924 WeakPolarHBondContact O-CG1 3.22Å; L2920-I2924 PolarHBondContact O-N 3.37Å; S2921-I2924 PolarHBondContact O-N 3.18Å; Q2922-I2924 PolarHBondContact O-N 2.9Å; I2924-I2926 VanDerWaalsContact C-N 3.33Å; I2924-I2926 PolarHBondContact O-N 3.25Å; I2924-A2927 PolarHBondContact O-N 3.25Å; I2924-D2928 PolarHBondContact O-N 3.14Å; I2924-L3072 HydrophobicContact CG1-CD1 4.4Å; I2924-L3072 HydrophobicContact CG1-CD2 4.04Å; I2924-L3122 HydrophobicContact CD1-CD1 4.09Å; I2924-L3122 HydrophobicContact CG1-CD1 4.16Å; I2924-L3122 HydrophobicContact CG2-CD1 3.75Å; I2924-L3122 HydrophobicContact CG2-CD2 4.48Å; I2924-V3126 HydrophobicContact CD1-CG1 4.04Å; I2924-V3126 HydrophobicContact CG1-CG1 4.31Å; I2924-V3130 HydrophobicContact CD1-CG2 3.76Å |
| 2925 | F | 93.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 175.5 | -172.8 | -98.8 | 0 | 0 | 0 | 111.9 | I2827 H2831 Q2834 V2847 R2848 G2849 I2875 S2921 Q2922 L2923 D2928 H2929 | I2827-F2925 HydrophobicContact CG2-CD1 4.35Å; I2827-F2925 HydrophobicContact CG2-CE1 4.13Å; H2831-F2925 HydrophobicContact CB-CB 4.5Å; H2831-F2925 HydrophobicContact CB-CD1 3.71Å; H2831-F2925 HydrophobicContact CB-CD2 4.41Å; H2831-F2925 HydrophobicContact CB-CE1 3.85Å; H2831-F2925 HydrophobicContact CB-CG 4.05Å; H2831-F2925 HydrophobicContact CB-CZ 4.32Å; H2831-F2925 AromaticContact CD2-CD2 3.93Å; H2831-F2925 AromaticContact CD2-CG 3.78Å; Q2834-F2925 HydrophobicContact CB-CE2 4.41Å; Q2834-F2925 HydrophobicContact CG-CE2 4Å; Q2834-F2925 HydrophobicContact CG-CZ 4.28Å; V2847-F2925 HydrophobicContact CG1-CD2 3.85Å; V2847-F2925 HydrophobicContact CG1-CE2 4.04Å; R2848-F2925 WeakPolarHBondContact O-CD2 3.31Å; R2848-F2925 WeakPolarHBondContact O-CE2 3.46Å; G2849-F2925 VanDerWaalsContact CA-CD2 3.42Å; I2875-F2925 HydrophobicContact CD1-CE2 4.08Å; S2921-F2925 WeakPolarHBondContact O-CB 3.43Å; S2921-F2925 PolarHBondContact O-N 3.09Å; Q2922-F2925 WeakPolarHBondContact O-CB 3.44Å; Q2922-F2925 PolarHBondContact O-N 3.33Å; L2923-F2925 VanDerWaalsContact C-N 3.32Å; L2923-F2925 PolarHBondContact O-N 3.22Å; F2925-D2928 PolarHBondContact O-N 3.42Å; F2925-H2929 AromaticContact CD1-CE1 3.63Å; F2925-H2929 AromaticContact CD1-ND1 3.88Å; F2925-H2929 AromaticContact CE1-CE1 3.25Å; F2925-H2929 WeakPolarHBondContact CE1-CE1 3.29Å; F2925-H2929 AromaticContact CE1-ND1 3.94Å; F2925-H2929 AromaticContact CE1-NE2 3.79Å; F2925-H2929 AromaticContact CE2-CE1 3.95Å; F2925-H2929 AromaticContact CZ-CE1 3.59Å; F2925-H2929 VanDerWaalsContact CZ-CE1 3.46Å; F2925-H2929 WeakPolarHBondContact CZ-CE1 3.31Å; F2925-H2929 AromaticContact CZ-NE2 3.82Å; F2925-H2929 PolarHBondContact O-N 3.28Å; F2925-H2929 PolarHBondContact O-ND1 2.93Å |
| 2926 | I | 94.6 | Very high | 88 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -70 | -37.5 | 177.3 | -63.9 | 156 | 0 | 0 | 0 | 111.7 | I2827 L2897 I2900 F2901 Q2922 L2923 I2924 D2928 H2929 L2930 | I2827-I2926 HydrophobicContact CG2-CG1 4.48Å; L2897-I2926 HydrophobicContact CB-CG2 4.07Å; L2897-I2926 HydrophobicContact CD2-CG1 4.43Å; L2897-I2926 HydrophobicContact CD2-CG2 4.13Å; I2900-I2926 HydrophobicContact CB-CD1 4.06Å; I2900-I2926 HydrophobicContact CD1-CD1 3.51Å; I2900-I2926 VanDerWaalsContact CD1-CD1 3.46Å; I2900-I2926 HydrophobicContact CD1-CG1 4.44Å; I2900-I2926 HydrophobicContact CG1-CD1 4.35Å; I2900-I2926 HydrophobicContact CG2-CD1 3.75Å; F2901-I2926 HydrophobicContact CE2-CB 4.43Å; F2901-I2926 HydrophobicContact CE2-CG2 3.86Å; F2901-I2926 HydrophobicContact CZ-CG2 4.45Å; Q2922-I2926 HydrophobicContact CG-CD1 3.9Å; Q2922-I2926 WeakPolarHBondContact O-CD1 3.21Å; Q2922-I2926 VanDerWaalsContact O-CG1 3.27Å; Q2922-I2926 WeakPolarHBondContact O-CG1 3.33Å; Q2922-I2926 PolarHBondContact O-N 3.04Å; L2923-I2926 PolarHBondContact O-N 3.32Å; I2924-I2926 VanDerWaalsContact C-N 3.33Å; I2924-I2926 PolarHBondContact O-N 3.25Å; I2926-D2928 VanDerWaalsContact C-N 3.33Å; I2926-D2928 PolarHBondContact O-N 3.3Å; I2926-H2929 WeakPolarHBondContact O-CA 3.4Å; I2926-H2929 VanDerWaalsContact O-CB 3.31Å; I2926-H2929 WeakPolarHBondContact O-CB 3.4Å; I2926-H2929 PolarHBondContact O-N 3.02Å; I2926-H2929 VanDerWaalsContact O-N 3.13Å; I2926-L2930 HydrophobicContact CG2-CD1 4.1Å; I2926-L2930 HydrophobicContact CG2-CG 4.44Å; I2926-L2930 WeakPolarHBondContact O-CG 3.48Å; I2926-L2930 PolarHBondContact O-N 3.12Å |
| 2927 | A | 94.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F2901 L2923 I2924 H2929 L2930 A2931 L3072 I3076 M3120 | F2901-A2927 HydrophobicContact CZ-CB 4.32Å; L2923-A2927 VanDerWaalsContact O-CB 3.3Å; L2923-A2927 WeakPolarHBondContact O-CB 3.34Å; L2923-A2927 PolarHBondContact O-N 3.15Å; I2924-A2927 PolarHBondContact O-N 3.25Å; A2927-H2929 VanDerWaalsContact C-N 3.29Å; A2927-H2929 PolarHBondContact O-N 3.08Å; A2927-L2930 PolarHBondContact O-N 3.12Å; A2927-A2931 WeakPolarHBondContact O-CB 3.31Å; A2927-A2931 PolarHBondContact O-N 3.28Å; A2927-L3072 HydrophobicContact CB-CD1 3.68Å; A2927-L3072 HydrophobicContact CB-CD2 3.85Å; A2927-L3072 HydrophobicContact CB-CG 3.68Å; A2927-I3076 HydrophobicContact CB-CD1 3.64Å; A2927-I3076 HydrophobicContact CB-CG1 3.89Å; A2927-M3120 HydrophobicContact CB-CE 3.86Å |
| 2928 | D | 93.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.8 | -34.6 | 171.6 | -79.1 | -31.7 | 0 | 0 | 0 | 113 | R2848 G2849 A2850 I2924 F2925 I2926 H2932 | R2848-D2928 WeakPolarHBondContact CA-OD2 3.38Å; R2848-D2928 WeakPolarHBondContact CB-OD2 3.29Å; R2848-D2928 IonicContact CZ-OD1 3.25Å; R2848-D2928 IonicContact CZ-OD2 3.27Å; R2848-D2928 IonicContact NE-OD1 3.11Å; R2848-D2928 IonicContact NE-OD2 3.18Å; R2848-D2928 PolarHBondContact NE-OD2 3Å; R2848-D2928 IonicContact NH2-OD1 3.18Å; R2848-D2928 PolarHBondContact NH2-OD1 3.05Å; R2848-D2928 IonicContact NH2-OD2 3.64Å; R2848-D2928 PolarHBondContact NH2-OD2 3.2Å; G2849-D2928 VanDerWaalsContact CA-CB 3.48Å; G2849-D2928 PolarHBondContact N-OD2 3.05Å; A2850-D2928 HydrophobicContact CB-CB 4.18Å; I2924-D2928 PolarHBondContact O-N 3.14Å; F2925-D2928 PolarHBondContact O-N 3.42Å; I2926-D2928 VanDerWaalsContact C-N 3.33Å; I2926-D2928 PolarHBondContact O-N 3.3Å; D2928-H2932 WeakPolarHBondContact O-CB 3.41Å; D2928-H2932 PolarHBondContact O-N 3.14Å; D2928-H2932 PolarHBondContact O-ND1 3.08Å; D2928-H2932 IonicContact OD1-CE1 3.39Å; D2928-H2932 PolarHBondContact OD1-CE1 3.48Å; D2928-H2932 IonicContact OD1-ND1 2.69Å |
| 2929 | H | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.5 | -49.3 | 174.6 | -73.8 | 79.5 | 0 | 0 | 0 | 110.9 | G2849 C2874 N2876 F2925 I2926 A2927 A2931 H2932 F2933 | G2849-H2929 PolarHBondContact O-CD2 2.82Å; G2849-H2929 VanDerWaalsContact O-CD2 3.29Å; G2849-H2929 PolarHBondContact O-CE1 3.01Å; C2874-H2929 PolarHBondContact SG-CD2 3.14Å; N2876-H2929 WeakPolarHBondContact CB-NE2 3.22Å; N2876-H2929 PolarHBondContact ND2-CE1 2.84Å; N2876-H2929 PolarHBondContact ND2-NE2 3.2Å; F2925-H2929 AromaticContact CD1-CE1 3.63Å; F2925-H2929 AromaticContact CD1-ND1 3.88Å; F2925-H2929 AromaticContact CE1-CE1 3.25Å; F2925-H2929 WeakPolarHBondContact CE1-CE1 3.29Å; F2925-H2929 AromaticContact CE1-ND1 3.94Å; F2925-H2929 AromaticContact CE1-NE2 3.79Å; F2925-H2929 AromaticContact CE2-CE1 3.95Å; F2925-H2929 AromaticContact CZ-CE1 3.59Å; F2925-H2929 VanDerWaalsContact CZ-CE1 3.46Å; F2925-H2929 WeakPolarHBondContact CZ-CE1 3.31Å; F2925-H2929 AromaticContact CZ-NE2 3.82Å; F2925-H2929 PolarHBondContact O-N 3.28Å; F2925-H2929 PolarHBondContact O-ND1 2.93Å; I2926-H2929 WeakPolarHBondContact O-CA 3.4Å; I2926-H2929 VanDerWaalsContact O-CB 3.31Å; I2926-H2929 WeakPolarHBondContact O-CB 3.4Å; I2926-H2929 PolarHBondContact O-N 3.02Å; I2926-H2929 VanDerWaalsContact O-N 3.13Å; A2927-H2929 VanDerWaalsContact C-N 3.29Å; A2927-H2929 PolarHBondContact O-N 3.08Å; H2929-A2931 VanDerWaalsContact C-N 3.27Å; H2929-A2931 PolarHBondContact O-N 3.21Å; H2929-H2932 PolarHBondContact O-N 3.13Å; H2929-F2933 HydrophobicContact CB-CD2 4.49Å; H2929-F2933 HydrophobicContact CB-CE1 4.09Å; H2929-F2933 HydrophobicContact CB-CE2 4.01Å; H2929-F2933 HydrophobicContact CB-CZ 3.74Å; H2929-F2933 AromaticContact CD2-CE1 3.81Å; H2929-F2933 AromaticContact CD2-CZ 3.96Å; H2929-F2933 WeakPolarHBondContact O-CB 3.45Å; H2929-F2933 WeakPolarHBondContact O-CD2 3.32Å; H2929-F2933 WeakPolarHBondContact O-CG 3.34Å; H2929-F2933 PolarHBondContact O-N 3.1Å |
| 2930 | L | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.1 | -30.3 | 179.2 | -67.8 | 168.4 | 0 | 0 | 0 | 112.9 | I2894 L2897 L2898 F2901 I2926 A2927 F2933 Y2935 I3076 | I2894-L2930 HydrophobicContact CG2-CD2 4.44Å; L2897-L2930 HydrophobicContact CB-CD2 4.42Å; L2897-L2930 HydrophobicContact CD1-CD2 4.44Å; L2898-L2930 HydrophobicContact CD2-CD1 3.53Å; L2898-L2930 VanDerWaalsContact CD2-CD1 3.49Å; L2898-L2930 HydrophobicContact CG-CD1 3.96Å; L2898-L2930 HydrophobicContact CG-CD2 4.44Å; F2901-L2930 HydrophobicContact CE2-CD1 4.17Å; I2926-L2930 HydrophobicContact CG2-CD1 4.1Å; I2926-L2930 HydrophobicContact CG2-CG 4.44Å; I2926-L2930 WeakPolarHBondContact O-CG 3.48Å; I2926-L2930 PolarHBondContact O-N 3.12Å; A2927-L2930 PolarHBondContact O-N 3.12Å; L2930-F2933 HydrophobicContact CD2-CE2 4.49Å; L2930-Y2935 WeakPolarHBondContact O-CE2 3.33Å; L2930-Y2935 PolarHBondContact O-OH 3.15Å; L2930-Y2935 VanDerWaalsContact O-OH 3.06Å; L2930-I3076 HydrophobicContact CB-CD1 4.39Å; L2930-I3076 HydrophobicContact CB-CG2 4.41Å; L2930-I3076 HydrophobicContact CD1-CD1 4.26Å |
| 2931 | A | 92.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -75.8 | -44.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | A2927 H2929 F3079 Y3084 M3120 | A2927-A2931 WeakPolarHBondContact O-CB 3.31Å; A2927-A2931 PolarHBondContact O-N 3.28Å; H2929-A2931 VanDerWaalsContact C-N 3.27Å; H2929-A2931 PolarHBondContact O-N 3.21Å; A2931-F3079 HydrophobicContact CB-CD1 3.72Å; A2931-F3079 HydrophobicContact CB-CE1 3.91Å; A2931-F3079 HydrophobicContact CB-CG 4.33Å; A2931-F3079 HydrophobicContact CB-CZ 4.48Å; A2931-F3079 WeakPolarHBondContact O-CE1 3.26Å; A2931-Y3084 PolarHBondContact O-OH 3.45Å; A2931-M3120 HydrophobicContact CB-CB 4.36Å; A2931-M3120 HydrophobicContact CB-CE 4.16Å; A2931-M3120 HydrophobicContact CB-SD 3.81Å |
| 2932 | H | 91.8 | Very high | 92.5 | Very high | 21.25 Ų | 21.25 | 12.1 Ų | 12.1 | 10% | 0.098 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -112 | 15.1 | -167.4 | -46.3 | 90.1 | 0 | 0 | 0 | 114.8 | A2850 V2872 C2874 D2928 H2929 F3079 M3120 | A2850-H2932 HydrophobicContact CB-CB 4.07Å; A2850-H2932 WeakPolarHBondContact CB-ND1 3.31Å; V2872-H2932 HydrophobicContact CG1-CB 4.32Å; V2872-H2932 VanDerWaalsContact CG1-CD2 3.47Å; V2872-H2932 WeakPolarHBondContact CG1-CD2 3.4Å; C2874-H2932 HydrophobicContact CB-CB 4.1Å; C2874-H2932 VanDerWaalsContact CB-O 3.24Å; C2874-H2932 WeakPolarHBondContact CB-O 3.34Å; C2874-H2932 PolarHBondContact N-O 2.98Å; D2928-H2932 WeakPolarHBondContact O-CB 3.41Å; D2928-H2932 PolarHBondContact O-N 3.14Å; D2928-H2932 PolarHBondContact O-ND1 3.08Å; D2928-H2932 IonicContact OD1-CE1 3.39Å; D2928-H2932 PolarHBondContact OD1-CE1 3.48Å; D2928-H2932 IonicContact OD1-ND1 2.69Å; H2929-H2932 PolarHBondContact O-N 3.13Å; H2932-F3079 AromaticContact CD2-CZ 3.83Å; H2932-F3079 AromaticContact NE2-CE2 3.86Å; H2932-F3079 AromaticContact NE2-CZ 3.82Å; H2932-M3120 VanDerWaalsContact CE1-CB 3.48Å; H2932-M3120 WeakPolarHBondContact CE1-CB 3.35Å; H2932-M3120 PolarHBondContact CE1-N 2.86Å; H2932-M3120 PolarHBondContact NE2-N 3.11Å; H2932-M3120 VanDerWaalsContact NE2-N 3.14Å |
| 2933 | F | 92.7 | Very high | 92.7 | Very high | 2.25 Ų | 2.25 | 12 Ų | 12 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -60 | 145 | 168.9 | -83.2 | -41 | 0 | 0 | 0 | 110.5 | I2827 C2874 Y2880 L2893 L2897 H2929 L2930 Y2935 | I2827-F2933 HydrophobicContact CD1-CZ 4.36Å; C2874-F2933 HydrophobicContact CB-CD1 4.28Å; C2874-F2933 VanDerWaalsContact SG-CD1 3.58Å; C2874-F2933 WeakPolarHBondContact SG-CD1 3.46Å; C2874-F2933 VanDerWaalsContact SG-CE1 3.6Å; C2874-F2933 WeakPolarHBondContact SG-CE1 3.37Å; Y2880-F2933 VanDerWaalsContact CB-CD1 3.47Å; Y2880-F2933 HydrophobicContact CD1-CB 4.26Å; Y2880-F2933 HydrophobicContact CD1-CG 4.49Å; Y2880-F2933 HydrophobicContact CD2-CB 3.9Å; Y2880-F2933 AromaticContact CD2-CD1 3.56Å; Y2880-F2933 HydrophobicContact CD2-CD1 3.56Å; Y2880-F2933 VanDerWaalsContact CD2-CD1 3.46Å; Y2880-F2933 AromaticContact CD2-CD2 3.57Å; Y2880-F2933 HydrophobicContact CD2-CD2 3.57Å; Y2880-F2933 VanDerWaalsContact CD2-CD2 3.49Å; Y2880-F2933 AromaticContact CD2-CE1 3.87Å; Y2880-F2933 HydrophobicContact CD2-CE1 3.87Å; Y2880-F2933 AromaticContact CD2-CE2 3.87Å; Y2880-F2933 HydrophobicContact CD2-CE2 3.87Å; Y2880-F2933 AromaticContact CD2-CG 3.41Å; Y2880-F2933 HydrophobicContact CD2-CG 3.41Å; Y2880-F2933 VanDerWaalsContact CD2-CG 3.44Å; Y2880-F2933 AromaticContact CD2-CZ 3.96Å; Y2880-F2933 HydrophobicContact CD2-CZ 4.01Å; Y2880-F2933 HydrophobicContact CE1-CB 4.39Å; Y2880-F2933 HydrophobicContact CE2-CB 4.09Å; Y2880-F2933 HydrophobicContact CE2-CD1 4.42Å; Y2880-F2933 AromaticContact CE2-CD2 3.74Å; Y2880-F2933 HydrophobicContact CE2-CD2 3.81Å; Y2880-F2933 HydrophobicContact CE2-CE2 4.25Å; Y2880-F2933 AromaticContact CE2-CG 3.85Å; Y2880-F2933 HydrophobicContact CE2-CG 3.91Å; Y2880-F2933 HydrophobicContact CG-CB 4Å; Y2880-F2933 AromaticContact CG-CD1 3.62Å; Y2880-F2933 HydrophobicContact CG-CD1 3.62Å; Y2880-F2933 HydrophobicContact CG-CD2 4.39Å; Y2880-F2933 HydrophobicContact CG-CE1 4.13Å; Y2880-F2933 AromaticContact CG-CG 3.77Å; Y2880-F2933 HydrophobicContact CG-CG 3.77Å; L2893-F2933 HydrophobicContact CD2-CE2 4.5Å; L2893-F2933 HydrophobicContact CD2-CZ 4.25Å; L2897-F2933 HydrophobicContact CD1-CE2 3.75Å; L2897-F2933 HydrophobicContact CD1-CZ 3.89Å; H2929-F2933 HydrophobicContact CB-CD2 4.49Å; H2929-F2933 HydrophobicContact CB-CE1 4.09Å; H2929-F2933 HydrophobicContact CB-CE2 4.01Å; H2929-F2933 HydrophobicContact CB-CZ 3.74Å; H2929-F2933 AromaticContact CD2-CE1 3.81Å; H2929-F2933 AromaticContact CD2-CZ 3.96Å; H2929-F2933 WeakPolarHBondContact O-CB 3.45Å; H2929-F2933 WeakPolarHBondContact O-CD2 3.32Å; H2929-F2933 WeakPolarHBondContact O-CG 3.34Å; H2929-F2933 PolarHBondContact O-N 3.1Å; L2930-F2933 HydrophobicContact CD2-CE2 4.49Å; F2933-Y2935 HydrophobicContact CB-CD1 4.34Å; F2933-Y2935 HydrophobicContact CB-CD2 4.4Å; F2933-Y2935 HydrophobicContact CB-CE1 3.83Å; F2933-Y2935 HydrophobicContact CB-CE2 4.11Å; F2933-Y2935 HydrophobicContact CD2-CE1 4.4Å; F2933-Y2935 WeakPolarHBondContact O-CD2 3.39Å; F2933-Y2935 PolarHBondContact O-N 3.01Å |
| 2934 | P | 90.2 | Very high | 92.8 | Very high | 31.5 Ų | 31.5 | 11.9 Ų | 11.9 | 21% | 0.205 | 6% | 0.064 | C | C | . | . | trans | -78.7 | 69.1 | -177.6 | 33.6 | -36.5 | 0 | 0 | 0 | 111.2 | Y2877 Y2880 T2881 R2884 | Y2877-P2934 HydrophobicContact CD2-CB 3.84Å; Y2877-P2934 HydrophobicContact CD2-CG 3.61Å; Y2877-P2934 HydrophobicContact CE2-CB 3.43Å; Y2877-P2934 VanDerWaalsContact CE2-CB 3.49Å; Y2877-P2934 HydrophobicContact CE2-CG 3.6Å; Y2877-P2934 HydrophobicContact CG-CG 4.29Å; Y2880-P2934 HydrophobicContact CD1-CG 3.9Å; Y2880-P2934 HydrophobicContact CG-CG 4.5Å; T2881-P2934 WeakPolarHBondContact OG1-CG 3.41Å; R2884-P2934 VanDerWaalsContact CD-O 3.3Å; R2884-P2934 WeakPolarHBondContact CD-O 3.24Å; R2884-P2934 PolarHBondContact NH1-O 3.34Å | ||
| 2935 | Y | 91.4 | Very high | 92.8 | Very high | 17.25 Ų | 17.25 | 12.4 Ų | 12.4 | 7% | 0.068 | 7% | 0.068 | C | C | . | . | trans | -60.3 | 142.4 | 170.3 | -54.9 | -55 | 0 | 0 | 0 | 110.2 | Y2880 L2930 F2933 E2940 V2941 V2944 Y3084 | Y2880-Y2935 HydrophobicContact CE1-CD1 4.09Å; Y2880-Y2935 HydrophobicContact CE1-CE1 4.39Å; Y2880-Y2935 HydrophobicContact CE2-CD1 4.42Å; Y2880-Y2935 AromaticContact CE2-CE1 3.92Å; Y2880-Y2935 HydrophobicContact CE2-CE1 4.01Å; Y2880-Y2935 AromaticContact CZ-CD1 3.7Å; Y2880-Y2935 AromaticContact CZ-CE1 3.65Å; Y2880-Y2935 VanDerWaalsContact OH-CD1 3.27Å; Y2880-Y2935 WeakPolarHBondContact OH-CD1 3.33Å; Y2880-Y2935 VanDerWaalsContact OH-CE1 3.24Å; Y2880-Y2935 WeakPolarHBondContact OH-CE1 3.41Å; L2930-Y2935 WeakPolarHBondContact O-CE2 3.33Å; L2930-Y2935 PolarHBondContact O-OH 3.15Å; L2930-Y2935 VanDerWaalsContact O-OH 3.06Å; F2933-Y2935 HydrophobicContact CB-CD1 4.34Å; F2933-Y2935 HydrophobicContact CB-CD2 4.4Å; F2933-Y2935 HydrophobicContact CB-CE1 3.83Å; F2933-Y2935 HydrophobicContact CB-CE2 4.11Å; F2933-Y2935 HydrophobicContact CD2-CE1 4.4Å; F2933-Y2935 WeakPolarHBondContact O-CD2 3.39Å; F2933-Y2935 PolarHBondContact O-N 3.01Å; Y2935-E2940 WeakPolarHBondContact CA-OE2 3.36Å; Y2935-E2940 HydrophobicContact CD1-CB 3.59Å; Y2935-E2940 HydrophobicContact CD1-CG 4.45Å; Y2935-E2940 HydrophobicContact CE1-CB 4.29Å; Y2935-E2940 HydrophobicContact CG-CB 4.21Å; Y2935-V2941 HydrophobicContact CD2-CG2 4.13Å; Y2935-V2941 HydrophobicContact CG-CG2 4.14Å; Y2935-V2944 HydrophobicContact CE1-CG2 4.22Å; Y2935-V2944 WeakPolarHBondContact OH-CG2 3.19Å; Y2935-Y3084 HydrophobicContact CD2-CE1 4.34Å; Y2935-Y3084 AromaticContact CD2-CE2 3.97Å; Y2935-Y3084 HydrophobicContact CD2-CE2 4.08Å; Y2935-Y3084 AromaticContact CD2-CZ 3.72Å; Y2935-Y3084 WeakPolarHBondContact CD2-OH 3.42Å; Y2935-Y3084 HydrophobicContact CE2-CE2 4.42Å | ||
| 2936 | V | 90.3 | Very high | 92.9 | Very high | 65.5 Ų | 65.5 | 13.5 Ų | 13.5 | 40% | 0.397 | 7% | 0.074 | S | C | . | . | trans | -126.6 | -26 | 178.8 | -164.7 | 0 | 0 | 0 | 0 | 111.8 | R2884 E2940 P3106 I3107 | R2884-V2936 VanDerWaalsContact NH1-CG1 3.33Å; R2884-V2936 VanDerWaalsContact NH1-CG2 3.34Å; V2936-E2940 PolarHBondContact N-OE2 2.96Å; V2936-P3106 CarbonylContact O-C 3.58Å; V2936-P3106 VanDerWaalsContact O-CA 3.29Å; V2936-P3106 WeakPolarHBondContact O-CA 3.4Å; V2936-I3107 PolarHBondContact O-N 2.88Å | ||
| 2937 | V | 90.7 | Very high | 92.9 | Very high | 27.5 Ų | 27.5 | 14.3 Ų | 14.3 | 17% | 0.167 | 8% | 0.078 | C | C | . | . | B | Isolated β-bridge | trans | -119.9 | 146.1 | -175.7 | -123.5 | 0 | 0 | 0 | 0 | 111.7 | D2939 E2940 W3103 K3105 | V2937-D2939 VanDerWaalsContact C-N 3.3Å; V2937-D2939 HydrophobicContact CG1-CB 4.06Å; V2937-D2939 HydrophobicContact CG2-CB 4.18Å; V2937-D2939 PolarHBondContact O-N 3.08Å; V2937-E2940 HydrophobicContact CB-CG 4.05Å; V2937-E2940 HydrophobicContact CG2-CB 4.44Å; V2937-E2940 HydrophobicContact CG2-CG 3.68Å; V2937-E2940 PolarHBondContact N-OE2 3.23Å; V2937-E2940 VanDerWaalsContact O-CB 3.31Å; V2937-E2940 WeakPolarHBondContact O-CB 3.43Å; V2937-E2940 WeakPolarHBondContact O-CG 3.38Å; V2937-E2940 PolarHBondContact O-N 2.89Å; V2937-E2940 VanDerWaalsContact O-N 3.13Å; V2937-W3103 WeakPolarHBondContact CG1-O 3.36Å; V2937-K3105 VanDerWaalsContact CA-O 3.24Å; V2937-K3105 WeakPolarHBondContact CA-O 3.25Å; V2937-K3105 WeakPolarHBondContact CB-O 3.33Å |
| 2938 | L | 90.2 | Very high | 92.9 | Very high | 42 Ų | 42 | 14.4 Ų | 14.4 | 22% | 0.22 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.8 | -38.7 | -178.3 | -62 | 178.1 | 0 | 0 | 0 | 112.6 | E2940 V2941 Y2942 W3103 K3105 I3107 | L2938-E2940 PolarHBondContact O-N 3.46Å; L2938-E2940 VanDerWaalsContact O-N 3.08Å; L2938-V2941 PolarHBondContact O-N 3.18Å; L2938-V2941 VanDerWaalsContact O-N 3.08Å; L2938-Y2942 HydrophobicContact CB-CD2 4.08Å; L2938-Y2942 HydrophobicContact CB-CE2 4.27Å; L2938-Y2942 HydrophobicContact CD2-CE2 4.33Å; L2938-Y2942 WeakPolarHBondContact O-CD2 3.45Å; L2938-Y2942 PolarHBondContact O-N 2.91Å; L2938-W3103 HydrophobicContact CB-CE3 4.49Å; L2938-W3103 WeakPolarHBondContact CB-O 3.44Å; L2938-W3103 PolarHBondContact N-O 3.12Å; L2938-K3105 HydrophobicContact CD1-CB 4.01Å; L2938-K3105 HydrophobicContact CD1-CD 4.5Å; L2938-K3105 HydrophobicContact CG-CB 4.35Å; L2938-K3105 PolarHBondContact N-O 3.11Å; L2938-I3107 HydrophobicContact CD2-CG1 4.06Å |
| 2939 | D | 91.4 | Very high | 92.8 | Very high | 1.25 Ų | 1.25 | 16 Ų | 16 | 1% | 0.007 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -48.2 | -32.3 | 173.3 | 174.3 | 71.2 | 0 | 0 | 0 | 113.1 | R2887 R2890 R2891 V2937 Y2943 Y3094 W3103 E3104 | R2887-D2939 IonicContact CZ-OD1 3.49Å; R2887-D2939 VanDerWaalsContact CZ-OD1 3.28Å; R2887-D2939 IonicContact CZ-OD2 3.76Å; R2887-D2939 IonicContact NE-OD1 2.98Å; R2887-D2939 PolarHBondContact NE-OD1 3.2Å; R2887-D2939 IonicContact NE-OD2 3.69Å; R2887-D2939 PolarHBondContact NE-OD2 2.96Å; R2887-D2939 VanDerWaalsContact NE-OD2 3.16Å; R2887-D2939 IonicContact NH2-OD1 3.22Å; R2887-D2939 PolarHBondContact NH2-OD1 3.21Å; R2887-D2939 IonicContact NH2-OD2 2.67Å; R2890-D2939 IonicContact CZ-OD2 3.19Å; R2890-D2939 IonicContact NE-OD2 3.25Å; R2890-D2939 IonicContact NH2-OD2 3.26Å; R2890-D2939 PolarHBondContact NH2-OD2 3.01Å; R2891-D2939 IonicContact CZ-OD1 3.25Å; R2891-D2939 IonicContact NE-OD1 3.24Å; R2891-D2939 IonicContact NE-OD2 3.22Å; R2891-D2939 IonicContact NH2-OD1 3.26Å; R2891-D2939 PolarHBondContact NH2-OD1 3.26Å; V2937-D2939 VanDerWaalsContact C-N 3.3Å; V2937-D2939 HydrophobicContact CG1-CB 4.06Å; V2937-D2939 HydrophobicContact CG2-CB 4.18Å; V2937-D2939 PolarHBondContact O-N 3.08Å; D2939-Y2943 WeakPolarHBondContact O-CB 3.45Å; D2939-Y2943 PolarHBondContact O-N 3.19Å; D2939-Y3094 PolarHBondContact O-OH 3.03Å; D2939-Y3094 PolarHBondContact OD1-OH 3.11Å; D2939-W3103 HydrophobicContact CB-CB 3.98Å; D2939-W3103 PolarHBondContact N-O 2.83Å; D2939-E3104 HydrophobicContact CB-CG 4.36Å |
| 2940 | E | 92.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -74.1 | -46.3 | -180 | -58.3 | 173.5 | 134.6 | 0 | 0 | 111.6 | Y2880 R2884 R2890 Y2935 V2936 V2937 L2938 V2944 | Y2880-E2940 PolarHBondContact OH-OE1 3.44Å; R2884-E2940 WeakPolarHBondContact CG-OE1 3.43Å; R2890-E2940 VanDerWaalsContact CD-OE1 3.24Å; R2890-E2940 WeakPolarHBondContact CD-OE1 3.36Å; R2890-E2940 VanDerWaalsContact CZ-CG 3.48Å; R2890-E2940 IonicContact CZ-OE1 3.22Å; R2890-E2940 IonicContact NE-OE1 3.7Å; R2890-E2940 PolarHBondContact NE-OE1 3.19Å; R2890-E2940 VanDerWaalsContact NH1-CD 3.3Å; R2890-E2940 IonicContact NH1-OE1 3.21Å; R2890-E2940 PolarHBondContact NH1-OE1 3.23Å; R2890-E2940 IonicContact NH2-OE1 3.04Å; Y2935-E2940 WeakPolarHBondContact CA-OE2 3.36Å; Y2935-E2940 HydrophobicContact CD1-CB 3.59Å; Y2935-E2940 HydrophobicContact CD1-CG 4.45Å; Y2935-E2940 HydrophobicContact CE1-CB 4.29Å; Y2935-E2940 HydrophobicContact CG-CB 4.21Å; V2936-E2940 PolarHBondContact N-OE2 2.96Å; V2937-E2940 HydrophobicContact CB-CG 4.05Å; V2937-E2940 HydrophobicContact CG2-CB 4.44Å; V2937-E2940 HydrophobicContact CG2-CG 3.68Å; V2937-E2940 PolarHBondContact N-OE2 3.23Å; V2937-E2940 VanDerWaalsContact O-CB 3.31Å; V2937-E2940 WeakPolarHBondContact O-CB 3.43Å; V2937-E2940 WeakPolarHBondContact O-CG 3.38Å; V2937-E2940 PolarHBondContact O-N 2.89Å; V2937-E2940 VanDerWaalsContact O-N 3.13Å; L2938-E2940 PolarHBondContact O-N 3.46Å; L2938-E2940 VanDerWaalsContact O-N 3.08Å; E2940-V2944 VanDerWaalsContact O-CG2 3.29Å; E2940-V2944 WeakPolarHBondContact O-CG2 3.35Å; E2940-V2944 PolarHBondContact O-N 3.12Å; E2940-V2944 VanDerWaalsContact O-N 3.17Å |
| 2941 | V | 93 | Very high | 92.6 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.012 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -71.1 | -45.8 | -177.4 | -175.3 | 0 | 0 | 0 | 0 | 111 | Y2935 L2938 Y2943 V2944 A2945 I3080 Y3084 V3086 I3107 | Y2935-V2941 HydrophobicContact CD2-CG2 4.13Å; Y2935-V2941 HydrophobicContact CG-CG2 4.14Å; L2938-V2941 PolarHBondContact O-N 3.18Å; L2938-V2941 VanDerWaalsContact O-N 3.08Å; V2941-Y2943 VanDerWaalsContact C-N 3.33Å; V2941-Y2943 PolarHBondContact O-N 3.18Å; V2941-V2944 PolarHBondContact O-N 3.23Å; V2941-A2945 WeakPolarHBondContact O-CB 3.33Å; V2941-A2945 PolarHBondContact O-N 3.18Å; V2941-I3080 HydrophobicContact CG1-CG2 3.67Å; V2941-Y3084 HydrophobicContact CG1-CD1 4.45Å; V2941-Y3084 HydrophobicContact CG1-CD2 3.83Å; V2941-Y3084 HydrophobicContact CG1-CE2 4.48Å; V2941-Y3084 HydrophobicContact CG1-CG 3.77Å; V2941-Y3084 HydrophobicContact CG2-CD1 4.01Å; V2941-Y3084 HydrophobicContact CG2-CD2 4.44Å; V2941-Y3084 HydrophobicContact CG2-CE1 4.35Å; V2941-Y3084 HydrophobicContact CG2-CG 4.08Å; V2941-V3086 HydrophobicContact CG1-CG2 3.68Å; V2941-I3107 HydrophobicContact CG2-CD1 3.51Å; V2941-I3107 HydrophobicContact CG2-CG1 4.19Å |
| 2942 | Y | 93.6 | Very high | 92.6 | Very high | 9.25 Ų | 9.25 | 22.5 Ų | 22.5 | 4% | 0.036 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.1 | -35.4 | 179.7 | -79.4 | -89 | 0 | 0 | 0 | 111.9 | L2938 V2944 A2945 D2946 V3086 K3090 L3091 Y3094 W3103 | L2938-Y2942 HydrophobicContact CB-CD2 4.08Å; L2938-Y2942 HydrophobicContact CB-CE2 4.27Å; L2938-Y2942 HydrophobicContact CD2-CE2 4.33Å; L2938-Y2942 WeakPolarHBondContact O-CD2 3.45Å; L2938-Y2942 PolarHBondContact O-N 2.91Å; Y2942-V2944 VanDerWaalsContact C-N 3.35Å; Y2942-V2944 PolarHBondContact O-N 3.3Å; Y2942-A2945 PolarHBondContact O-N 3.23Å; Y2942-D2946 VanDerWaalsContact O-CB 3.27Å; Y2942-D2946 WeakPolarHBondContact O-CB 3.28Å; Y2942-D2946 PolarHBondContact O-N 3.37Å; Y2942-V3086 HydrophobicContact CD1-CG1 4.27Å; Y2942-V3086 HydrophobicContact CE1-CG1 3.82Å; Y2942-V3086 HydrophobicContact CE1-CG2 4.43Å; Y2942-V3086 HydrophobicContact CE2-CG2 4.42Å; Y2942-K3090 HydrophobicContact CE1-CB 3.71Å; Y2942-K3090 WeakPolarHBondContact CE1-O 3.29Å; Y2942-K3090 VanDerWaalsContact OH-CB 3.26Å; Y2942-K3090 WeakPolarHBondContact OH-CB 3.38Å; Y2942-K3090 VanDerWaalsContact OH-CD 3.28Å; Y2942-K3090 WeakPolarHBondContact OH-CD 3.3Å; Y2942-L3091 HydrophobicContact CD1-CD1 4.05Å; Y2942-Y3094 VanDerWaalsContact CB-CD2 3.47Å; Y2942-Y3094 HydrophobicContact CD1-CG 4.38Å; Y2942-Y3094 HydrophobicContact CG-CD2 4.24Å; Y2942-Y3094 HydrophobicContact CG-CG 4.36Å; Y2942-W3103 HydrophobicContact CD1-CZ3 4.41Å; Y2942-W3103 HydrophobicContact CD2-CE3 4.29Å; Y2942-W3103 HydrophobicContact CD2-CZ3 4.2Å; Y2942-W3103 HydrophobicContact CE1-CZ3 4.39Å; Y2942-W3103 HydrophobicContact CE2-CZ3 4.19Å; Y2942-W3103 HydrophobicContact CG-CZ3 4.33Å |
| 2943 | Y | 94.2 | Very high | 92.6 | Very high | 27.5 Ų | 27.5 | 24.8 Ų | 24.8 | 11% | 0.108 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.1 | -38.8 | 173.6 | -171.7 | -111.1 | 0 | 0 | 0 | 113 | R2891 I2894 V2895 D2939 V2941 L2947 Y3094 P3096 | R2891-Y2943 HydrophobicContact CB-CD1 4.31Å; R2891-Y2943 HydrophobicContact CB-CE1 3.57Å; R2891-Y2943 HydrophobicContact CG-CD1 3.77Å; R2891-Y2943 HydrophobicContact CG-CD2 4.48Å; R2891-Y2943 HydrophobicContact CG-CE1 3.48Å; R2891-Y2943 VanDerWaalsContact CG-CE1 3.47Å; R2891-Y2943 HydrophobicContact CG-CE2 4.28Å; R2891-Y2943 HydrophobicContact CG-CG 4.26Å; I2894-Y2943 HydrophobicContact CB-CD1 4.4Å; I2894-Y2943 HydrophobicContact CB-CE1 4.29Å; I2894-Y2943 HydrophobicContact CD1-CD1 4.14Å; I2894-Y2943 HydrophobicContact CG2-CD1 4.09Å; I2894-Y2943 HydrophobicContact CG2-CE1 4.18Å; V2895-Y2943 HydrophobicContact CG2-CE1 4.15Å; V2895-Y2943 VanDerWaalsContact CG2-OH 3.27Å; V2895-Y2943 WeakPolarHBondContact CG2-OH 3.41Å; D2939-Y2943 WeakPolarHBondContact O-CB 3.45Å; D2939-Y2943 PolarHBondContact O-N 3.19Å; V2941-Y2943 VanDerWaalsContact C-N 3.33Å; V2941-Y2943 PolarHBondContact O-N 3.18Å; Y2943-L2947 HydrophobicContact CD1-CD1 3.89Å; Y2943-L2947 HydrophobicContact CD2-CD1 4.44Å; Y2943-L2947 HydrophobicContact CE1-CD1 3.47Å; Y2943-L2947 VanDerWaalsContact CE1-CD1 3.44Å; Y2943-L2947 HydrophobicContact CE1-CG 4.49Å; Y2943-L2947 HydrophobicContact CE2-CD1 4.18Å; Y2943-L2947 HydrophobicContact CE2-CG 4.49Å; Y2943-L2947 HydrophobicContact CG-CD1 4.43Å; Y2943-L2947 WeakPolarHBondContact O-CB 3.26Å; Y2943-L2947 VanDerWaalsContact O-CG 3.3Å; Y2943-L2947 WeakPolarHBondContact O-CG 3.37Å; Y2943-L2947 PolarHBondContact O-N 3.12Å; Y2943-Y3094 WeakPolarHBondContact CB-OH 3.24Å; Y2943-P3096 HydrophobicContact CD2-CB 4.16Å; Y2943-P3096 HydrophobicContact CD2-CG 4.27Å; Y2943-P3096 HydrophobicContact CE2-CB 4.03Å; Y2943-P3096 HydrophobicContact CE2-CG 4.34Å |
| 2944 | V | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.4 | -44.3 | 175.1 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | I2894 Y2935 E2940 V2941 Y2942 D2946 L2947 I2948 I3080 | I2894-V2944 HydrophobicContact CD1-CG2 3.76Å; I2894-V2944 HydrophobicContact CG1-CG2 4.1Å; I2894-V2944 HydrophobicContact CG2-CG2 3.75Å; Y2935-V2944 HydrophobicContact CE1-CG2 4.22Å; Y2935-V2944 WeakPolarHBondContact OH-CG2 3.19Å; E2940-V2944 VanDerWaalsContact O-CG2 3.29Å; E2940-V2944 WeakPolarHBondContact O-CG2 3.35Å; E2940-V2944 PolarHBondContact O-N 3.12Å; E2940-V2944 VanDerWaalsContact O-N 3.17Å; V2941-V2944 PolarHBondContact O-N 3.23Å; Y2942-V2944 VanDerWaalsContact C-N 3.35Å; Y2942-V2944 PolarHBondContact O-N 3.3Å; V2944-D2946 PolarHBondContact O-N 3.27Å; V2944-L2947 PolarHBondContact O-N 3.17Å; V2944-I2948 HydrophobicContact CG1-CD1 3.65Å; V2944-I2948 HydrophobicContact CG1-CG1 4.44Å; V2944-I2948 WeakPolarHBondContact O-CB 3.32Å; V2944-I2948 WeakPolarHBondContact O-CD1 3.48Å; V2944-I2948 VanDerWaalsContact O-CG1 3.24Å; V2944-I2948 WeakPolarHBondContact O-CG1 3.41Å; V2944-I2948 PolarHBondContact O-N 3.16Å; V2944-I3080 HydrophobicContact CB-CD1 4.35Å; V2944-I3080 HydrophobicContact CG1-CD1 3.57Å |
| 2945 | A | 94.1 | Very high | 92.5 | Very high | 9.25 Ų | 9.25 | 28.4 Ų | 28.4 | 8% | 0.076 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.3 | -44.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V2941 Y2942 I2948 E2949 I3080 V3086 L3091 | V2941-A2945 WeakPolarHBondContact O-CB 3.33Å; V2941-A2945 PolarHBondContact O-N 3.18Å; Y2942-A2945 PolarHBondContact O-N 3.23Å; A2945-I2948 PolarHBondContact O-N 3.14Å; A2945-E2949 PolarHBondContact O-N 3.26Å; A2945-I3080 HydrophobicContact CB-CG2 4.25Å; A2945-V3086 HydrophobicContact CB-CG1 4.34Å; A2945-L3091 HydrophobicContact CB-CD1 3.7Å; A2945-L3091 HydrophobicContact CB-CD2 4.16Å |
| 2946 | D | 94.2 | Very high | 92.4 | Very high | 23.75 Ų | 23.75 | 27.5 Ų | 27.5 | 13% | 0.127 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.8 | -52.5 | 177.5 | 170.5 | 49.3 | 0 | 0 | 0 | 111.5 | Y2942 V2944 I2948 E2949 Q2950 L3091 Y3094 P3096 | Y2942-D2946 VanDerWaalsContact O-CB 3.27Å; Y2942-D2946 WeakPolarHBondContact O-CB 3.28Å; Y2942-D2946 PolarHBondContact O-N 3.37Å; V2944-D2946 PolarHBondContact O-N 3.27Å; D2946-I2948 VanDerWaalsContact C-N 3.3Å; D2946-I2948 PolarHBondContact O-N 2.94Å; D2946-E2949 PolarHBondContact O-N 3.07Å; D2946-Q2950 VanDerWaalsContact O-CG 3.31Å; D2946-Q2950 WeakPolarHBondContact O-CG 3.29Å; D2946-Q2950 PolarHBondContact O-N 3.11Å; D2946-Q2950 PolarHBondContact OD1-NE2 2.94Å; D2946-Q2950 PolarHBondContact OD2-NE2 3.39Å; D2946-L3091 HydrophobicContact CB-CD1 4.29Å; D2946-Y3094 HydrophobicContact CB-CD1 4.14Å; D2946-Y3094 HydrophobicContact CB-CE1 4.23Å; D2946-P3096 WeakPolarHBondContact OD2-CG 3.35Å |
| 2947 | L | 94.7 | Very high | 92.4 | Very high | 18.75 Ų | 18.75 | 27.3 Ų | 27.3 | 10% | 0.098 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.3 | -31.3 | 177.6 | -69.6 | 174.9 | 0 | 0 | 0 | 113.1 | I2894 V2895 L2898 Y2943 V2944 R2951 | I2894-L2947 HydrophobicContact CG2-CD1 3.92Å; V2895-L2947 HydrophobicContact CG2-CD1 3.72Å; L2898-L2947 HydrophobicContact CD1-CB 3.57Å; L2898-L2947 VanDerWaalsContact CD1-CB 3.49Å; L2898-L2947 HydrophobicContact CD1-CD1 4.04Å; L2898-L2947 HydrophobicContact CD1-CG 4.36Å; Y2943-L2947 HydrophobicContact CD1-CD1 3.89Å; Y2943-L2947 HydrophobicContact CD2-CD1 4.44Å; Y2943-L2947 HydrophobicContact CE1-CD1 3.47Å; Y2943-L2947 VanDerWaalsContact CE1-CD1 3.44Å; Y2943-L2947 HydrophobicContact CE1-CG 4.49Å; Y2943-L2947 HydrophobicContact CE2-CD1 4.18Å; Y2943-L2947 HydrophobicContact CE2-CG 4.49Å; Y2943-L2947 HydrophobicContact CG-CD1 4.43Å; Y2943-L2947 WeakPolarHBondContact O-CB 3.26Å; Y2943-L2947 VanDerWaalsContact O-CG 3.3Å; Y2943-L2947 WeakPolarHBondContact O-CG 3.37Å; Y2943-L2947 PolarHBondContact O-N 3.12Å; V2944-L2947 PolarHBondContact O-N 3.17Å; L2947-R2951 WeakPolarHBondContact O-CB 3.37Å; L2947-R2951 WeakPolarHBondContact O-CD 3.3Å; L2947-R2951 WeakPolarHBondContact O-CG 3.34Å; L2947-R2951 PolarHBondContact O-N 3.05Å |
| 2948 | I | 94.6 | Very high | 92.4 | Very high | 0.75 Ų | 0.75 | 29.5 Ų | 29.5 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -71.4 | -45.3 | 175.1 | -74.7 | 171.9 | 0 | 0 | 0 | 110.9 | L2898 V2944 A2945 D2946 Q2950 R2951 I2952 L3073 I3076 R3077 I3080 | L2898-I2948 HydrophobicContact CD1-CG1 4.38Å; L2898-I2948 HydrophobicContact CD2-CG1 3.91Å; V2944-I2948 HydrophobicContact CG1-CD1 3.65Å; V2944-I2948 HydrophobicContact CG1-CG1 4.44Å; V2944-I2948 WeakPolarHBondContact O-CB 3.32Å; V2944-I2948 WeakPolarHBondContact O-CD1 3.48Å; V2944-I2948 VanDerWaalsContact O-CG1 3.24Å; V2944-I2948 WeakPolarHBondContact O-CG1 3.41Å; V2944-I2948 PolarHBondContact O-N 3.16Å; A2945-I2948 PolarHBondContact O-N 3.14Å; D2946-I2948 VanDerWaalsContact C-N 3.3Å; D2946-I2948 PolarHBondContact O-N 2.94Å; I2948-Q2950 PolarHBondContact O-N 3.24Å; I2948-R2951 PolarHBondContact O-N 3.14Å; I2948-R2951 VanDerWaalsContact O-N 3.15Å; I2948-I2952 HydrophobicContact CG2-CD1 3.55Å; I2948-I2952 HydrophobicContact CG2-CG1 4.24Å; I2948-I2952 VanDerWaalsContact O-CG1 3.32Å; I2948-I2952 WeakPolarHBondContact O-CG1 3.18Å; I2948-I2952 PolarHBondContact O-N 3.39Å; I2948-L3073 HydrophobicContact CG1-CD2 4.32Å; I2948-L3073 HydrophobicContact CG2-CB 4.42Å; I2948-I3076 HydrophobicContact CD1-CB 4.01Å; I2948-I3076 HydrophobicContact CD1-CD1 4.47Å; I2948-I3076 HydrophobicContact CD1-CG2 3.51Å; I2948-I3076 VanDerWaalsContact CD1-CG2 3.46Å; I2948-R3077 HydrophobicContact CG2-CB 4.02Å; I2948-I3080 HydrophobicContact CD1-CD1 4.22Å |
| 2949 | E | 92.7 | Very high | 92.4 | Very high | 35.25 Ų | 35.25 | 27.6 Ų | 27.6 | 17% | 0.165 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.1 | -39.2 | -179 | -156 | 73 | -113.3 | 0 | 0 | 111.7 | A2945 D2946 R2951 I2952 S2953 R3077 R3081 | A2945-E2949 PolarHBondContact O-N 3.26Å; D2946-E2949 PolarHBondContact O-N 3.07Å; E2949-R2951 VanDerWaalsContact C-N 3.31Å; E2949-R2951 PolarHBondContact O-N 3.38Å; E2949-I2952 PolarHBondContact O-N 2.92Å; E2949-S2953 WeakPolarHBondContact O-CB 3.4Å; E2949-S2953 PolarHBondContact O-N 3.29Å; E2949-S2953 PolarHBondContact O-OG 3.25Å; E2949-R3077 VanDerWaalsContact CD-CD 3.48Å; E2949-R3077 WeakPolarHBondContact OE1-CD 3.31Å; E2949-R3077 IonicContact OE1-CZ 3.69Å; E2949-R3077 IonicContact OE1-NE 3.47Å; E2949-R3077 IonicContact OE1-NH1 3.35Å; E2949-R3077 PolarHBondContact OE1-NH1 3.18Å; E2949-R3077 VanDerWaalsContact OE2-CD 3.27Å; E2949-R3077 WeakPolarHBondContact OE2-CD 3.26Å; E2949-R3081 IonicContact OE1-NH2 2.72Å; E2949-R3081 IonicContact OE2-CZ 3Å; E2949-R3081 IonicContact OE2-NH2 3.52Å; E2949-R3081 PolarHBondContact OE2-NH2 3.13Å |
| 2950 | Q | 92.6 | Very high | 92.3 | Very high | 102.25 Ų | 102.25 | 29.3 Ų | 29.3 | 48% | 0.478 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -58 | -43 | 171.5 | -69.9 | 173.6 | 26.4 | 0 | 0 | 111.8 | D2946 I2948 S2953 L2954 | D2946-Q2950 VanDerWaalsContact O-CG 3.31Å; D2946-Q2950 WeakPolarHBondContact O-CG 3.29Å; D2946-Q2950 PolarHBondContact O-N 3.11Å; D2946-Q2950 PolarHBondContact OD1-NE2 2.94Å; D2946-Q2950 PolarHBondContact OD2-NE2 3.39Å; I2948-Q2950 PolarHBondContact O-N 3.24Å; Q2950-S2953 PolarHBondContact O-N 2.95Å; Q2950-L2954 WeakPolarHBondContact O-CB 3.31Å; Q2950-L2954 PolarHBondContact O-N 3.22Å |
| 2951 | R | 92.1 | Very high | 92.2 | Very high | 32.5 Ų | 32.5 | 36.2 Ų | 36.2 | 12% | 0.123 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.3 | -42.2 | 179.7 | -72.3 | 167.5 | -173.8 | -83.3 | 2.4 | 112.3 | L2898 D2902 L2947 I2948 E2949 S2953 L2954 I2955 L3073 | L2898-R2951 PolarHBondContact O-NH1 3.03Å; D2902-R2951 IonicContact OD1-CZ 3.1Å; D2902-R2951 IonicContact OD1-NH1 3.58Å; D2902-R2951 PolarHBondContact OD1-NH1 3.22Å; D2902-R2951 IonicContact OD2-CZ 3.55Å; D2902-R2951 IonicContact OD2-NH1 3.01Å; D2902-R2951 PolarHBondContact OD2-NH1 3.21Å; D2902-R2951 IonicContact OD2-NH2 3.33Å; L2947-R2951 WeakPolarHBondContact O-CB 3.37Å; L2947-R2951 WeakPolarHBondContact O-CD 3.3Å; L2947-R2951 WeakPolarHBondContact O-CG 3.34Å; L2947-R2951 PolarHBondContact O-N 3.05Å; I2948-R2951 PolarHBondContact O-N 3.14Å; I2948-R2951 VanDerWaalsContact O-N 3.15Å; E2949-R2951 VanDerWaalsContact C-N 3.31Å; E2949-R2951 PolarHBondContact O-N 3.38Å; R2951-S2953 VanDerWaalsContact C-N 3.28Å; R2951-S2953 PolarHBondContact O-N 3.26Å; R2951-L2954 PolarHBondContact O-N 3.12Å; R2951-I2955 HydrophobicContact CB-CD1 4.49Å; R2951-I2955 VanDerWaalsContact O-CB 3.27Å; R2951-I2955 WeakPolarHBondContact O-CB 3.4Å; R2951-I2955 WeakPolarHBondContact O-CG1 3.4Å; R2951-I2955 PolarHBondContact O-N 3.24Å; R2951-L3073 HydrophobicContact CB-CD1 4.04Å |
| 2952 | I | 92.7 | Very high | 92 | Very high | 0.75 Ų | 0.75 | 36.8 Ų | 36.8 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.7 | -42.3 | 173.7 | -69.9 | 167.3 | 0 | 0 | 0 | 110.1 | I2948 E2949 G2956 L3073 M3074 R3077 L3158 | I2948-I2952 HydrophobicContact CG2-CD1 3.55Å; I2948-I2952 HydrophobicContact CG2-CG1 4.24Å; I2948-I2952 VanDerWaalsContact O-CG1 3.32Å; I2948-I2952 WeakPolarHBondContact O-CG1 3.18Å; I2948-I2952 PolarHBondContact O-N 3.39Å; E2949-I2952 PolarHBondContact O-N 2.92Å; I2952-G2956 VanDerWaalsContact O-CA 3.31Å; I2952-G2956 WeakPolarHBondContact O-CA 3.41Å; I2952-G2956 PolarHBondContact O-N 3.2Å; I2952-L3073 HydrophobicContact CD1-CB 4.1Å; I2952-L3073 HydrophobicContact CG1-CB 3.72Å; I2952-M3074 HydrophobicContact CD1-CB 4.42Å; I2952-M3074 HydrophobicContact CD1-CG 3.94Å; I2952-M3074 HydrophobicContact CG1-CG 4.22Å; I2952-M3074 HydrophobicContact CG2-CE 4.17Å; I2952-M3074 HydrophobicContact CG2-CG 4.18Å; I2952-M3074 HydrophobicContact CG2-SD 4.43Å; I2952-R3077 HydrophobicContact CD1-CB 3.96Å; I2952-R3077 HydrophobicContact CD1-CG 4.4Å; I2952-L3158 HydrophobicContact CG2-CD2 3.54Å |
| 2953 | S | 91.3 | Very high | 91.7 | Very high | 69.5 Ų | 69.5 | 36.5 Ų | 36.5 | 49% | 0.486 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.8 | -47.2 | 177 | -79.1 | 0 | 0 | 0 | 0 | 112.4 | E2949 Q2950 R2951 S2957 | E2949-S2953 WeakPolarHBondContact O-CB 3.4Å; E2949-S2953 PolarHBondContact O-N 3.29Å; E2949-S2953 PolarHBondContact O-OG 3.25Å; Q2950-S2953 PolarHBondContact O-N 2.95Å; R2951-S2953 VanDerWaalsContact C-N 3.28Å; R2951-S2953 PolarHBondContact O-N 3.26Å; S2953-S2957 VanDerWaalsContact O-CB 3.23Å; S2953-S2957 WeakPolarHBondContact O-CB 3.38Å; S2953-S2957 PolarHBondContact O-N 3.15Å; S2953-S2957 VanDerWaalsContact O-N 3.16Å; S2953-S2957 PolarHBondContact O-OG 3.19Å |
| 2954 | L | 90.4 | Very high | 91.4 | Very high | 107.75 Ų | 107.75 | 36.8 Ų | 36.8 | 56% | 0.564 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -65.1 | -47.3 | 178.5 | -179.7 | 64.2 | 0 | 0 | 0 | 112.6 | Q2950 R2951 S2957 T2958 | Q2950-L2954 WeakPolarHBondContact O-CB 3.31Å; Q2950-L2954 PolarHBondContact O-N 3.22Å; R2951-L2954 PolarHBondContact O-N 3.12Å; L2954-S2957 PolarHBondContact O-OG 3.07Å; L2954-S2957 VanDerWaalsContact O-OG 3.06Å; L2954-T2958 WeakPolarHBondContact O-CB 3.28Å; L2954-T2958 PolarHBondContact O-N 3.26Å; L2954-T2958 PolarHBondContact O-OG1 3.1Å |
| 2955 | I | 90.3 | Very high | 91 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -73.6 | -48.8 | -175.8 | -62.9 | 178.8 | 0 | 0 | 0 | 110.4 | Q2905 R2951 S2957 T2958 I2959 A3066 C3070 L3073 | Q2905-I2955 VanDerWaalsContact NE2-CG1 3.3Å; Q2905-I2955 VanDerWaalsContact NE2-CG2 3.34Å; R2951-I2955 HydrophobicContact CB-CD1 4.49Å; R2951-I2955 VanDerWaalsContact O-CB 3.27Å; R2951-I2955 WeakPolarHBondContact O-CB 3.4Å; R2951-I2955 WeakPolarHBondContact O-CG1 3.4Å; R2951-I2955 PolarHBondContact O-N 3.24Å; I2955-S2957 PolarHBondContact O-N 2.94Å; I2955-T2958 WeakPolarHBondContact O-CB 3.4Å; I2955-T2958 PolarHBondContact O-N 3Å; I2955-T2958 VanDerWaalsContact O-N 3.13Å; I2955-I2959 HydrophobicContact CG2-CD1 3.77Å; I2955-I2959 HydrophobicContact CG2-CG1 4.45Å; I2955-I2959 WeakPolarHBondContact O-CG1 3.41Å; I2955-I2959 PolarHBondContact O-N 3.08Å; I2955-A3066 HydrophobicContact CG2-CB 4.07Å; I2955-C3070 HydrophobicContact CG2-CB 3.72Å; I2955-L3073 HydrophobicContact CD1-CD1 3.89Å |
| 2956 | G | 90.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.1 | -49.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I2952 T2958 I2959 L2960 | I2952-G2956 VanDerWaalsContact O-CA 3.31Å; I2952-G2956 WeakPolarHBondContact O-CA 3.41Å; I2952-G2956 PolarHBondContact O-N 3.2Å; G2956-T2958 VanDerWaalsContact C-N 3.27Å; G2956-T2958 PolarHBondContact O-N 3.29Å; G2956-I2959 PolarHBondContact O-N 3.3Å; G2956-I2959 VanDerWaalsContact O-N 3.12Å; G2956-L2960 WeakPolarHBondContact O-CB 3.37Å; G2956-L2960 VanDerWaalsContact O-CG 3.31Å; G2956-L2960 WeakPolarHBondContact O-CG 3.23Å; G2956-L2960 PolarHBondContact O-N 3.18Å |
| 2957 | S | 90 | Very high | 90.4 | Very high | 60.25 Ų | 60.25 | 42 Ų | 42 | 42% | 0.421 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.2 | -32.3 | 177.4 | 64 | 0 | 0 | 0 | 0 | 113 | S2953 L2954 I2955 R2961 | S2953-S2957 VanDerWaalsContact O-CB 3.23Å; S2953-S2957 WeakPolarHBondContact O-CB 3.38Å; S2953-S2957 PolarHBondContact O-N 3.15Å; S2953-S2957 VanDerWaalsContact O-N 3.16Å; S2953-S2957 PolarHBondContact O-OG 3.19Å; L2954-S2957 PolarHBondContact O-OG 3.07Å; L2954-S2957 VanDerWaalsContact O-OG 3.06Å; I2955-S2957 PolarHBondContact O-N 2.94Å; S2957-R2961 WeakPolarHBondContact O-CB 3.37Å; S2957-R2961 PolarHBondContact O-N 2.95Å; S2957-R2961 VanDerWaalsContact O-N 3.15Å; S2957-R2961 PolarHBondContact O-NH1 3.22Å |
| 2958 | T | 90 | Very high | 89.8 | Confident | 74.5 Ų | 74.5 | 43 Ų | 43 | 46% | 0.457 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.3 | -44.4 | 174.4 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | L2954 I2955 G2956 R2961 S2962 | L2954-T2958 WeakPolarHBondContact O-CB 3.28Å; L2954-T2958 PolarHBondContact O-N 3.26Å; L2954-T2958 PolarHBondContact O-OG1 3.1Å; I2955-T2958 WeakPolarHBondContact O-CB 3.4Å; I2955-T2958 PolarHBondContact O-N 3Å; I2955-T2958 VanDerWaalsContact O-N 3.13Å; G2956-T2958 VanDerWaalsContact C-N 3.27Å; G2956-T2958 PolarHBondContact O-N 3.29Å; T2958-R2961 PolarHBondContact O-N 3.29Å; T2958-S2962 PolarHBondContact O-N 3.18Å; T2958-S2962 VanDerWaalsContact O-N 3.1Å |
| 2959 | I | 90.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.2 | -50.6 | 177.4 | -62.7 | 160.4 | 0 | 0 | 0 | 110.4 | I2955 G2956 R2961 S2962 L2963 M3063 A3066 C3070 F3151 L3154 | I2955-I2959 HydrophobicContact CG2-CD1 3.77Å; I2955-I2959 HydrophobicContact CG2-CG1 4.45Å; I2955-I2959 WeakPolarHBondContact O-CG1 3.41Å; I2955-I2959 PolarHBondContact O-N 3.08Å; G2956-I2959 PolarHBondContact O-N 3.3Å; G2956-I2959 VanDerWaalsContact O-N 3.12Å; I2959-R2961 VanDerWaalsContact C-N 3.32Å; I2959-R2961 PolarHBondContact O-N 3.18Å; I2959-S2962 WeakPolarHBondContact O-CA 3.2Å; I2959-S2962 WeakPolarHBondContact O-CB 3.46Å; I2959-S2962 PolarHBondContact O-N 3.13Å; I2959-S2962 VanDerWaalsContact O-N 3.07Å; I2959-S2962 PolarHBondContact O-OG 3.25Å; I2959-L2963 PolarHBondContact O-N 3.23Å; I2959-L2963 VanDerWaalsContact O-N 3.14Å; I2959-M3063 HydrophobicContact CG2-CB 4.48Å; I2959-M3063 HydrophobicContact CG2-SD 3.85Å; I2959-A3066 HydrophobicContact CD1-CB 3.74Å; I2959-A3066 HydrophobicContact CG1-CB 3.83Å; I2959-C3070 HydrophobicContact CD1-CB 4.09Å; I2959-F3151 HydrophobicContact CG2-CD1 3.92Å; I2959-F3151 HydrophobicContact CG2-CD2 4.02Å; I2959-F3151 HydrophobicContact CG2-CE1 3.45Å; I2959-F3151 VanDerWaalsContact CG2-CE1 3.45Å; I2959-F3151 HydrophobicContact CG2-CE2 4.07Å; I2959-F3151 HydrophobicContact CG2-CZ 4.43Å; I2959-L3154 HydrophobicContact CB-CD2 4.09Å; I2959-L3154 HydrophobicContact CD1-CD2 3.73Å; I2959-L3154 HydrophobicContact CG1-CD2 4.46Å; I2959-L3154 HydrophobicContact CG2-CD2 3.65Å |
| 2960 | L | 90 | Very high | 88.4 | Confident | 37.75 Ų | 37.75 | 42.4 Ų | 42.4 | 20% | 0.198 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.9 | -47.3 | 178.1 | -69.5 | -179.3 | 0 | 0 | 0 | 111.5 | G2956 S2962 L2963 Y2964 F3151 R3155 L3158 | G2956-L2960 WeakPolarHBondContact O-CB 3.37Å; G2956-L2960 VanDerWaalsContact O-CG 3.31Å; G2956-L2960 WeakPolarHBondContact O-CG 3.23Å; G2956-L2960 PolarHBondContact O-N 3.18Å; L2960-S2962 PolarHBondContact O-N 3.17Å; L2960-L2963 PolarHBondContact O-N 3.11Å; L2960-Y2964 VanDerWaalsContact O-CB 3.28Å; L2960-Y2964 WeakPolarHBondContact O-CB 3.41Å; L2960-Y2964 PolarHBondContact O-N 2.83Å; L2960-F3151 HydrophobicContact CB-CZ 4.44Å; L2960-F3151 HydrophobicContact CD2-CE1 3.99Å; L2960-F3151 HydrophobicContact CD2-CE2 3.9Å; L2960-F3151 HydrophobicContact CD2-CZ 3.4Å; L2960-F3151 VanDerWaalsContact CD2-CZ 3.46Å; L2960-F3151 HydrophobicContact CG-CZ 4.45Å; L2960-R3155 HydrophobicContact CD1-CG 4.22Å; L2960-R3155 HydrophobicContact CD2-CB 3.81Å; L2960-R3155 HydrophobicContact CD2-CG 3.99Å; L2960-L3158 HydrophobicContact CD1-CB 4.46Å; L2960-L3158 HydrophobicContact CD1-CD1 3.66Å; L2960-L3158 HydrophobicContact CD2-CD1 4.28Å; L2960-L3158 HydrophobicContact CG-CD1 3.89Å |
| 2961 | R | 89.6 | Confident | 87.4 | Confident | 146.75 Ų | 146.75 | 37.9 Ų | 37.9 | 55% | 0.554 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -65.6 | -26.9 | 178.9 | -167.7 | 175.5 | -145.8 | 135.1 | 0.2 | 113.1 | S2957 T2958 I2959 R2965 | S2957-R2961 WeakPolarHBondContact O-CB 3.37Å; S2957-R2961 PolarHBondContact O-N 2.95Å; S2957-R2961 VanDerWaalsContact O-N 3.15Å; S2957-R2961 PolarHBondContact O-NH1 3.22Å; T2958-R2961 PolarHBondContact O-N 3.29Å; I2959-R2961 VanDerWaalsContact C-N 3.32Å; I2959-R2961 PolarHBondContact O-N 3.18Å; R2961-R2965 WeakPolarHBondContact O-CB 3.41Å; R2961-R2965 WeakPolarHBondContact O-CD 3.29Å; R2961-R2965 VanDerWaalsContact O-CG 3.32Å; R2961-R2965 WeakPolarHBondContact O-CG 3.36Å; R2961-R2965 PolarHBondContact O-N 3.02Å; R2961-R2965 VanDerWaalsContact O-N 3.1Å |
| 2962 | S | 88.3 | Confident | 86.3 | Confident | 15.25 Ų | 15.25 | 41.8 Ų | 41.8 | 11% | 0.107 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.5 | -47.5 | 174.5 | 139.6 | 0 | 0 | 0 | 0 | 111.5 | T2958 I2959 L2960 Y2964 R2965 S2966 T3059 S3062 | T2958-S2962 PolarHBondContact O-N 3.18Å; T2958-S2962 VanDerWaalsContact O-N 3.1Å; I2959-S2962 WeakPolarHBondContact O-CA 3.2Å; I2959-S2962 WeakPolarHBondContact O-CB 3.46Å; I2959-S2962 PolarHBondContact O-N 3.13Å; I2959-S2962 VanDerWaalsContact O-N 3.07Å; I2959-S2962 PolarHBondContact O-OG 3.25Å; L2960-S2962 PolarHBondContact O-N 3.17Å; S2962-Y2964 VanDerWaalsContact C-N 3.28Å; S2962-Y2964 PolarHBondContact O-N 3.33Å; S2962-R2965 PolarHBondContact O-N 2.83Å; S2962-S2966 PolarHBondContact O-N 3.1Å; S2962-S2966 VanDerWaalsContact O-N 3.16Å; S2962-S2966 PolarHBondContact O-OG 3.07Å; S2962-T3059 WeakPolarHBondContact CB-OG1 3.34Å; S2962-T3059 PolarHBondContact O-OG1 3.15Å; S2962-T3059 WeakPolarHBondContact OG-CA 3.46Å; S2962-T3059 PolarHBondContact OG-OG1 2.94Å; S2962-S3062 WeakPolarHBondContact OG-CB 3.47Å |
| 2963 | L | 88.8 | Confident | 84.8 | Confident | 2.75 Ų | 2.75 | 45.7 Ų | 45.7 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.1 | -43 | 177.7 | -172.6 | 82.1 | 0 | 0 | 0 | 111.4 | I2959 L2960 R2965 S2966 L2967 F3047 T3059 L3148 F3151 | I2959-L2963 PolarHBondContact O-N 3.23Å; I2959-L2963 VanDerWaalsContact O-N 3.14Å; L2960-L2963 PolarHBondContact O-N 3.11Å; L2963-R2965 VanDerWaalsContact C-N 3.3Å; L2963-R2965 PolarHBondContact O-N 3.22Å; L2963-S2966 WeakPolarHBondContact O-CA 3.4Å; L2963-S2966 WeakPolarHBondContact O-CB 3.38Å; L2963-S2966 PolarHBondContact O-N 3.21Å; L2963-S2966 VanDerWaalsContact O-N 3.12Å; L2963-L2967 HydrophobicContact CD1-CD1 4.11Å; L2963-L2967 HydrophobicContact CD1-CD2 4.3Å; L2963-L2967 HydrophobicContact CD1-CG 4.01Å; L2963-L2967 HydrophobicContact CD2-CD1 3.9Å; L2963-L2967 VanDerWaalsContact CD2-CD1 3.47Å; L2963-L2967 HydrophobicContact CD2-CG 3.9Å; L2963-L2967 HydrophobicContact CG-CD1 3.75Å; L2963-L2967 HydrophobicContact CG-CG 4.06Å; L2963-L2967 WeakPolarHBondContact O-CG 3.38Å; L2963-L2967 PolarHBondContact O-N 3.02Å; L2963-F3047 HydrophobicContact CD1-CD2 3.49Å; L2963-F3047 VanDerWaalsContact CD1-CD2 3.44Å; L2963-F3047 HydrophobicContact CD1-CE2 3.58Å; L2963-F3047 HydrophobicContact CD1-CG 4.39Å; L2963-F3047 HydrophobicContact CD1-CZ 4.46Å; L2963-T3059 HydrophobicContact CB-CG2 3.95Å; L2963-T3059 HydrophobicContact CD1-CG2 3.86Å; L2963-T3059 HydrophobicContact CG-CG2 4.37Å; L2963-L3148 HydrophobicContact CD1-CD2 3.9Å; L2963-L3148 HydrophobicContact CD2-CD2 3.88Å; L2963-F3151 HydrophobicContact CB-CD1 4Å; L2963-F3151 HydrophobicContact CB-CD2 3.95Å; L2963-F3151 HydrophobicContact CB-CE1 4.17Å; L2963-F3151 HydrophobicContact CB-CE2 3.4Å; L2963-F3151 VanDerWaalsContact CB-CE2 3.43Å; L2963-F3151 HydrophobicContact CB-CZ 3.82Å; L2963-F3151 HydrophobicContact CD1-CD1 4.46Å; L2963-F3151 HydrophobicContact CD1-CD2 4.14Å; L2963-F3151 HydrophobicContact CD1-CE1 4.45Å; L2963-F3151 HydrophobicContact CD1-CE2 4.14Å; L2963-F3151 HydrophobicContact CD1-CG 4.3Å; L2963-F3151 HydrophobicContact CD1-CZ 4.28Å; L2963-F3151 HydrophobicContact CD2-CB 4.26Å; L2963-F3151 HydrophobicContact CD2-CD1 3.53Å; L2963-F3151 HydrophobicContact CD2-CD2 3.77Å; L2963-F3151 HydrophobicContact CD2-CE1 3.73Å; L2963-F3151 VanDerWaalsContact CD2-CE1 3.43Å; L2963-F3151 HydrophobicContact CD2-CE2 3.75Å; L2963-F3151 HydrophobicContact CD2-CG 3.69Å; L2963-F3151 HydrophobicContact CD2-CZ 3.57Å; L2963-F3151 HydrophobicContact CG-CD1 4.32Å; L2963-F3151 HydrophobicContact CG-CD2 4.47Å; L2963-F3151 HydrophobicContact CG-CE1 4.43Å; L2963-F3151 HydrophobicContact CG-CE2 4.19Å; L2963-F3151 HydrophobicContact CG-CZ 4.17Å |
| 2964 | Y | 87.5 | Confident | 83.1 | Confident | 33.25 Ų | 33.25 | 49.6 Ų | 49.6 | 13% | 0.13 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56 | -44.8 | 179.2 | -171.3 | -101.8 | 0 | 0 | 0 | 111.9 | L2960 S2962 S2966 L2967 L2968 E2997 L3000 M3001 L3004 | L2960-Y2964 VanDerWaalsContact O-CB 3.28Å; L2960-Y2964 WeakPolarHBondContact O-CB 3.41Å; L2960-Y2964 PolarHBondContact O-N 2.83Å; S2962-Y2964 VanDerWaalsContact C-N 3.28Å; S2962-Y2964 PolarHBondContact O-N 3.33Å; Y2964-S2966 VanDerWaalsContact C-N 3.34Å; Y2964-S2966 PolarHBondContact O-N 3.12Å; Y2964-L2967 PolarHBondContact O-N 2.96Å; Y2964-L2968 HydrophobicContact CE1-CB 4.45Å; Y2964-L2968 HydrophobicContact CE1-CD2 3.97Å; Y2964-L2968 WeakPolarHBondContact O-CB 3.35Å; Y2964-L2968 PolarHBondContact O-N 3.07Å; Y2964-E2997 HydrophobicContact CE1-CG 4.24Å; Y2964-E2997 WeakPolarHBondContact CE1-OE1 3.38Å; Y2964-E2997 WeakPolarHBondContact CE1-OE2 3.4Å; Y2964-E2997 HydrophobicContact CE2-CG 4.23Å; Y2964-E2997 VanDerWaalsContact CZ-OE2 3.26Å; Y2964-E2997 WeakPolarHBondContact OH-CA 3.3Å; Y2964-E2997 VanDerWaalsContact OH-CB 3.3Å; Y2964-E2997 WeakPolarHBondContact OH-CB 3.33Å; Y2964-E2997 WeakPolarHBondContact OH-CG 3.38Å; Y2964-E2997 PolarHBondContact OH-O 3.45Å; Y2964-E2997 VanDerWaalsContact OH-O 3.04Å; Y2964-E2997 PolarHBondContact OH-OE2 3.04Å; Y2964-L3000 HydrophobicContact CD2-CD2 4.01Å; Y2964-L3000 HydrophobicContact CD2-CG 4.39Å; Y2964-L3000 HydrophobicContact CE2-CB 4.34Å; Y2964-L3000 HydrophobicContact CE2-CD2 3.54Å; Y2964-L3000 VanDerWaalsContact CE2-CD2 3.49Å; Y2964-L3000 HydrophobicContact CE2-CG 3.91Å; Y2964-M3001 HydrophobicContact CD2-CE 3.89Å; Y2964-M3001 HydrophobicContact CD2-SD 4.33Å; Y2964-M3001 HydrophobicContact CE2-CE 3.78Å; Y2964-M3001 HydrophobicContact CE2-CG 4.22Å; Y2964-M3001 HydrophobicContact CE2-SD 3.95Å; Y2964-L3004 HydrophobicContact CD2-CD1 4.35Å; Y2964-L3004 HydrophobicContact CE2-CD1 4.5Å |
| 2965 | R | 87.1 | Confident | 81 | Confident | 142 Ų | 142 | 48.9 Ų | 48.9 | 54% | 0.536 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.2 | -39.6 | 174.1 | -76.9 | 174.4 | 170.2 | 170.4 | -4.9 | 113.3 | R2961 S2962 L2963 S2969 L3055 | R2961-R2965 WeakPolarHBondContact O-CB 3.41Å; R2961-R2965 WeakPolarHBondContact O-CD 3.29Å; R2961-R2965 VanDerWaalsContact O-CG 3.32Å; R2961-R2965 WeakPolarHBondContact O-CG 3.36Å; R2961-R2965 PolarHBondContact O-N 3.02Å; R2961-R2965 VanDerWaalsContact O-N 3.1Å; S2962-R2965 PolarHBondContact O-N 2.83Å; L2963-R2965 VanDerWaalsContact C-N 3.3Å; L2963-R2965 PolarHBondContact O-N 3.22Å; R2965-S2969 WeakPolarHBondContact O-CB 3.37Å; R2965-S2969 PolarHBondContact O-N 3.21Å; R2965-S2969 VanDerWaalsContact O-N 3.09Å; R2965-L3055 HydrophobicContact CB-CD1 4.04Å; R2965-L3055 HydrophobicContact CB-CD2 4.4Å |
| 2966 | S | 87 | Confident | 78.8 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.3 | -45.9 | 177.8 | -162.4 | 0 | 0 | 0 | 0 | 111.5 | S2962 L2963 Y2964 S2969 T2970 F3047 C3050 L3055 T3059 | S2962-S2966 PolarHBondContact O-N 3.1Å; S2962-S2966 VanDerWaalsContact O-N 3.16Å; S2962-S2966 PolarHBondContact O-OG 3.07Å; L2963-S2966 WeakPolarHBondContact O-CA 3.4Å; L2963-S2966 WeakPolarHBondContact O-CB 3.38Å; L2963-S2966 PolarHBondContact O-N 3.21Å; L2963-S2966 VanDerWaalsContact O-N 3.12Å; Y2964-S2966 VanDerWaalsContact C-N 3.34Å; Y2964-S2966 PolarHBondContact O-N 3.12Å; S2966-S2969 PolarHBondContact O-N 3.28Å; S2966-S2969 PolarHBondContact O-OG 3.36Å; S2966-T2970 PolarHBondContact O-OG1 3.07Å; S2966-F3047 WeakPolarHBondContact OG-CD2 3.39Å; S2966-F3047 WeakPolarHBondContact OG-CE2 3.24Å; S2966-C3050 PolarHBondContact O-SG 3.07Å; S2966-C3050 PolarHBondContact OG-SG 2.75Å; S2966-L3055 PolarHBondContact OG-O 3.41Å; S2966-T3059 WeakPolarHBondContact CB-OG1 3.3Å; S2966-T3059 WeakPolarHBondContact OG-CB 3.24Å; S2966-T3059 PolarHBondContact OG-OG1 3.32Å |
| 2967 | L | 86.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.3 | -41 | 179.7 | -64.1 | 177.1 | 0 | 0 | 0 | 112.9 | L2963 Y2964 S2969 T2970 A2971 L3000 L3004 L3043 M3046 F3047 | L2963-L2967 HydrophobicContact CD1-CD1 4.11Å; L2963-L2967 HydrophobicContact CD1-CD2 4.3Å; L2963-L2967 HydrophobicContact CD1-CG 4.01Å; L2963-L2967 HydrophobicContact CD2-CD1 3.9Å; L2963-L2967 VanDerWaalsContact CD2-CD1 3.47Å; L2963-L2967 HydrophobicContact CD2-CG 3.9Å; L2963-L2967 HydrophobicContact CG-CD1 3.75Å; L2963-L2967 HydrophobicContact CG-CG 4.06Å; L2963-L2967 WeakPolarHBondContact O-CG 3.38Å; L2963-L2967 PolarHBondContact O-N 3.02Å; Y2964-L2967 PolarHBondContact O-N 2.96Å; L2967-S2969 VanDerWaalsContact C-N 3.29Å; L2967-S2969 PolarHBondContact O-N 3.01Å; L2967-T2970 WeakPolarHBondContact O-CB 3.36Å; L2967-T2970 PolarHBondContact O-N 3.03Å; L2967-T2970 VanDerWaalsContact O-N 3.11Å; L2967-A2971 PolarHBondContact O-N 3.06Å; L2967-A2971 VanDerWaalsContact O-N 3.12Å; L2967-L3000 HydrophobicContact CB-CD1 4.25Å; L2967-L3000 HydrophobicContact CB-CD2 4.05Å; L2967-L3000 HydrophobicContact CD1-CD1 4.42Å; L2967-L3004 HydrophobicContact CD1-CD2 3.97Å; L2967-L3043 HydrophobicContact CD1-CD1 3.71Å; L2967-L3043 HydrophobicContact CD2-CD1 3.94Å; L2967-M3046 HydrophobicContact CB-CE 4.47Å; L2967-M3046 HydrophobicContact CD2-CB 3.83Å; L2967-F3047 HydrophobicContact CD2-CB 4.19Å; L2967-F3047 HydrophobicContact CD2-CD2 4.47Å |
| 2968 | L | 83.1 | Confident | 74.2 | Confident | 38.75 Ų | 38.75 | 60.1 Ų | 60.1 | 20% | 0.203 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.2 | -36.5 | 178.4 | -174.8 | 66.5 | 0 | 0 | 0 | 111.6 | Y2964 T2970 A2971 Q2972 E2997 L3000 | Y2964-L2968 HydrophobicContact CE1-CB 4.45Å; Y2964-L2968 HydrophobicContact CE1-CD2 3.97Å; Y2964-L2968 WeakPolarHBondContact O-CB 3.35Å; Y2964-L2968 PolarHBondContact O-N 3.07Å; L2968-T2970 VanDerWaalsContact C-N 3.31Å; L2968-T2970 PolarHBondContact O-N 3.07Å; L2968-A2971 WeakPolarHBondContact O-CB 3.43Å; L2968-A2971 PolarHBondContact O-N 3.11Å; L2968-Q2972 HydrophobicContact CD1-CG 4.43Å; L2968-Q2972 HydrophobicContact CG-CG 4.42Å; L2968-Q2972 WeakPolarHBondContact O-CB 3.48Å; L2968-Q2972 WeakPolarHBondContact O-CG 3.44Å; L2968-Q2972 PolarHBondContact O-N 3.14Å; L2968-E2997 HydrophobicContact CD1-CG 4.31Å; L2968-L3000 HydrophobicContact CB-CD2 4.23Å; L2968-L3000 HydrophobicContact CD1-CD2 4.28Å |
| 2969 | S | 80.7 | Confident | 72 | Confident | 12.5 Ų | 12.5 | 65.3 Ų | 65.3 | 9% | 0.087 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.3 | -43.1 | 173.3 | 129.7 | 0 | 0 | 0 | 0 | 111.6 | R2965 S2966 L2967 A2971 Q2972 N2973 Q3051 | R2965-S2969 WeakPolarHBondContact O-CB 3.37Å; R2965-S2969 PolarHBondContact O-N 3.21Å; R2965-S2969 VanDerWaalsContact O-N 3.09Å; S2966-S2969 PolarHBondContact O-N 3.28Å; S2966-S2969 PolarHBondContact O-OG 3.36Å; L2967-S2969 VanDerWaalsContact C-N 3.29Å; L2967-S2969 PolarHBondContact O-N 3.01Å; S2969-A2971 PolarHBondContact O-N 3.11Å; S2969-Q2972 PolarHBondContact O-N 2.92Å; S2969-N2973 PolarHBondContact O-N 3.17Å; S2969-N2973 VanDerWaalsContact O-N 3.14Å; S2969-Q3051 WeakPolarHBondContact O-CG 3.41Å; S2969-Q3051 PolarHBondContact O-NE2 3.21Å; S2969-Q3051 WeakPolarHBondContact OG-CB 3.46Å; S2969-Q3051 VanDerWaalsContact OG-CG 3.29Å; S2969-Q3051 WeakPolarHBondContact OG-CG 3.41Å; S2969-Q3051 PolarHBondContact OG-N 2.78Å; S2969-Q3051 PolarHBondContact OG-NE2 2.93Å |
| 2970 | T | 78 | Confident | 69.7 | Low | 11 Ų | 11 | 72 Ų | 72 | 7% | 0.067 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.5 | -39 | 176.7 | -44.2 | 0 | 0 | 0 | 0 | 112.3 | S2966 L2967 L2968 N2973 M3046 H3049 C3050 | S2966-T2970 PolarHBondContact O-OG1 3.07Å; L2967-T2970 WeakPolarHBondContact O-CB 3.36Å; L2967-T2970 PolarHBondContact O-N 3.03Å; L2967-T2970 VanDerWaalsContact O-N 3.11Å; L2968-T2970 VanDerWaalsContact C-N 3.31Å; L2968-T2970 PolarHBondContact O-N 3.07Å; T2970-N2973 PolarHBondContact O-N 3.32Å; T2970-M3046 WeakPolarHBondContact CB-O 3.32Å; T2970-M3046 HydrophobicContact CG2-CB 4.49Å; T2970-M3046 WeakPolarHBondContact CG2-O 3.33Å; T2970-M3046 PolarHBondContact OG1-O 3.35Å; T2970-H3049 HydrophobicContact CG2-CB 3.93Å; T2970-H3049 WeakPolarHBondContact CG2-O 3.35Å; T2970-H3049 PolarHBondContact OG1-O 3.28Å; T2970-C3050 VanDerWaalsContact OG1-CA 3.29Å; T2970-C3050 WeakPolarHBondContact OG1-CA 3.39Å; T2970-C3050 PolarHBondContact OG1-N 3.21Å |
| 2971 | A | 70.3 | Confident | 67.1 | Low | 8.75 Ų | 8.75 | 75 Ų | 75 | 7% | 0.072 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L2967 L2968 S2969 N2973 K2974 F2994 M3046 | L2967-A2971 PolarHBondContact O-N 3.06Å; L2967-A2971 VanDerWaalsContact O-N 3.12Å; L2968-A2971 WeakPolarHBondContact O-CB 3.43Å; L2968-A2971 PolarHBondContact O-N 3.11Å; S2969-A2971 PolarHBondContact O-N 3.11Å; A2971-N2973 PolarHBondContact O-N 2.93Å; A2971-K2974 PolarHBondContact O-N 3.07Å; A2971-F2994 HydrophobicContact CB-CB 3.94Å; A2971-F2994 HydrophobicContact CB-CG 4.45Å; A2971-M3046 HydrophobicContact CB-CE 4.31Å |
| 2972 | Q | 69.3 | Low | 64.7 | Low | 114.75 Ų | 114.75 | 77 Ų | 77 | 54% | 0.536 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.9 | -38.3 | -177.3 | -72.8 | 174.7 | -22.3 | 0 | 0 | 113.1 | L2968 S2969 K2974 C2975 S2976 | L2968-Q2972 HydrophobicContact CD1-CG 4.43Å; L2968-Q2972 HydrophobicContact CG-CG 4.42Å; L2968-Q2972 WeakPolarHBondContact O-CB 3.48Å; L2968-Q2972 WeakPolarHBondContact O-CG 3.44Å; L2968-Q2972 PolarHBondContact O-N 3.14Å; S2969-Q2972 PolarHBondContact O-N 2.92Å; Q2972-K2974 VanDerWaalsContact C-N 3.3Å; Q2972-K2974 PolarHBondContact O-N 3.31Å; Q2972-C2975 VanDerWaalsContact O-CB 3.24Å; Q2972-C2975 WeakPolarHBondContact O-CB 3.32Å; Q2972-C2975 PolarHBondContact O-N 3.02Å; Q2972-S2976 PolarHBondContact O-OG 3.33Å |
| 2973 | N | 60.8 | Low | 62.5 | Low | 81.5 Ų | 81.5 | 84.7 Ų | 84.7 | 44% | 0.436 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -70.3 | -21.1 | -177.4 | -107.6 | 21.5 | 0 | 0 | 0 | 114.4 | S2969 T2970 A2971 C2975 S2976 Q3051 | S2969-N2973 PolarHBondContact O-N 3.17Å; S2969-N2973 VanDerWaalsContact O-N 3.14Å; T2970-N2973 PolarHBondContact O-N 3.32Å; A2971-N2973 PolarHBondContact O-N 2.93Å; N2973-C2975 PolarHBondContact O-N 3.01Å; N2973-C2975 VanDerWaalsContact O-N 3.14Å; N2973-S2976 WeakPolarHBondContact CA-OG 3.18Å; N2973-S2976 PolarHBondContact O-N 3.12Å; N2973-S2976 VanDerWaalsContact O-N 3.14Å; N2973-S2976 PolarHBondContact O-OG 3.48Å; N2973-S2976 PolarHBondContact OD1-OG 2.92Å; N2973-S2976 VanDerWaalsContact OD1-OG 3.11Å; N2973-Q3051 HydrophobicContact CB-CG 4.21Å; N2973-Q3051 VanDerWaalsContact CG-NE2 3.31Å; N2973-Q3051 PolarHBondContact ND2-OE1 3.3Å; N2973-Q3051 PolarHBondContact OD1-NE2 3.15Å; N2973-Q3051 VanDerWaalsContact OD1-NE2 3.12Å; N2973-Q3051 PolarHBondContact OD1-OE1 3.45Å |
| 2974 | K | 55.7 | Low | 60 | Low | 152.5 Ų | 152.5 | 89.2 Ų | 89.2 | 66% | 0.663 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -8.5 | 171.3 | -76.4 | -168 | 172.9 | -170.1 | 0 | 113.4 | A2971 Q2972 | A2971-K2974 PolarHBondContact O-N 3.07Å; Q2972-K2974 VanDerWaalsContact C-N 3.3Å; Q2972-K2974 PolarHBondContact O-N 3.31Å |
| 2975 | C | 45.8 | Very low | 57.3 | Low | 92.5 Ų | 92.5 | 91.7 Ų | 91.7 | 63% | 0.625 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -10 | 175.4 | -109.7 | 0 | 0 | 0 | 0 | 113.8 | Q2972 N2973 | Q2972-C2975 VanDerWaalsContact O-CB 3.24Å; Q2972-C2975 WeakPolarHBondContact O-CB 3.32Å; Q2972-C2975 PolarHBondContact O-N 3.02Å; N2973-C2975 PolarHBondContact O-N 3.01Å; N2973-C2975 VanDerWaalsContact O-N 3.14Å |
| 2976 | S | 44.7 | Very low | 54.7 | Low | 72 Ų | 72 | 90.1 Ų | 90.1 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -27.2 | -168 | -31.2 | 0 | 0 | 0 | 0 | 115.6 | Q2972 N2973 | Q2972-S2976 PolarHBondContact O-OG 3.33Å; N2973-S2976 WeakPolarHBondContact CA-OG 3.18Å; N2973-S2976 PolarHBondContact O-N 3.12Å; N2973-S2976 VanDerWaalsContact O-N 3.14Å; N2973-S2976 PolarHBondContact O-OG 3.48Å; N2973-S2976 PolarHBondContact OD1-OG 2.92Å; N2973-S2976 VanDerWaalsContact OD1-OG 3.11Å |
| 2977 | N | 39.2 | Very low | 52 | Low | 118.5 Ų | 118.5 | 95.8 Ų | 95.8 | 63% | 0.634 | 56% | 0.56 | S | S | * | * | trans | -127.7 | 96.5 | 179.9 | -85.7 | -4.8 | 0 | 0 | 0 | 111.3 | E2979 | N2977-E2979 VanDerWaalsContact C-N 3.35Š| ||
| 2978 | P | 45.8 | Very low | 49.5 | Very low | 105.25 Ų | 105.25 | 101.5 Ų | 101.5 | 68% | 0.683 | 59% | 0.594 | S | S | * | * | trans | -79 | -27.6 | 174.4 | 18.1 | -15.9 | 0 | 0 | 0 | 113.9 | I2980 | P2978-I2980 VanDerWaalsContact C-N 3.32Å; P2978-I2980 PolarHBondContact O-N 3.18Å; P2978-I2980 VanDerWaalsContact O-N 3.12Å | ||
| 2979 | E | 43.2 | Very low | 47.3 | Very low | 184.25 Ų | 184.25 | 106.6 Ų | 106.6 | 86% | 0.861 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 6.9 | -159.8 | -60.2 | -174 | 148.3 | 0 | 0 | 116.9 | N2977 | N2977-E2979 VanDerWaalsContact C-N 3.35Š|
| 2980 | I | 41.2 | Very low | 45.1 | Very low | 142.25 Ų | 142.25 | 111.2 Ų | 111.2 | 73% | 0.729 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.4 | -3.6 | -176.5 | -60.2 | 179.5 | 0 | 0 | 0 | 112.9 | P2978 E2982 | P2978-I2980 VanDerWaalsContact C-N 3.32Å; P2978-I2980 PolarHBondContact O-N 3.18Å; P2978-I2980 VanDerWaalsContact O-N 3.12Å; I2980-E2982 PolarHBondContact O-N 3.14Å |
| 2981 | C | 37.1 | Very low | 43.3 | Very low | 100.5 Ų | 100.5 | 118 Ų | 118 | 68% | 0.679 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -85.9 | -5.2 | -173.1 | -75.1 | 0 | 0 | 0 | 0 | 116.3 | L2983 | C2981-L2983 VanDerWaalsContact C-N 3.35Å; C2981-L2983 PolarHBondContact O-N 2.99Å |
| 2982 | E | 38.8 | Very low | 42.4 | Very low | 188 Ų | 188 | 124.9 Ų | 124.9 | 88% | 0.879 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -82.9 | -7.5 | -169.3 | -63.1 | -162.2 | 147 | 0 | 0 | 115.9 | I2980 | I2980-E2982 PolarHBondContact O-N 3.14Š|
| 2983 | L | 41.1 | Very low | 41.6 | Very low | 177.5 Ų | 177.5 | 126.2 Ų | 126.2 | 93% | 0.929 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -105.2 | 9.2 | -172 | -73 | 169.3 | 0 | 0 | 0 | 116 | C2981 | C2981-L2983 VanDerWaalsContact C-N 3.35Å; C2981-L2983 PolarHBondContact O-N 2.99Å |
| 2984 | S | 36.1 | Very low | 41.5 | Very low | 98.25 Ų | 98.25 | 124.5 Ų | 124.5 | 69% | 0.687 | 71% | 0.706 | S | S | * | * | trans | -123.3 | 81.5 | 173.8 | 62.1 | 0 | 0 | 0 | 0 | 112.1 | S2986 | S2984-S2986 PolarHBondContact O-N 3.34Å; S2984-S2986 VanDerWaalsContact O-N 3.12Å | ||
| 2985 | G | 31.6 | Very low | 41.5 | Very low | 85.75 Ų | 85.75 | 122.9 Ų | 122.9 | 88% | 0.884 | 71% | 0.71 | S | S | * | * | trans | -71.7 | 99 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2986 | S | 32 | Very low | 42.5 | Very low | 106.75 Ų | 106.75 | 120.5 Ų | 120.5 | 75% | 0.747 | 69% | 0.694 | S | S | * | * | trans | -155.2 | 115.6 | 153.1 | 55.3 | 0 | 0 | 0 | 0 | 110.9 | S2984 V2988 | S2984-S2986 PolarHBondContact O-N 3.34Å; S2984-S2986 VanDerWaalsContact O-N 3.12Å; S2986-V2988 PolarHBondContact O-N 3.21Å | ||
| 2987 | S | 30.1 | Very low | 43.9 | Very low | 121 Ų | 121 | 122.7 Ų | 122.7 | 85% | 0.846 | 70% | 0.696 | S | S | * | * | trans | -45.7 | 109.6 | 175.9 | -173.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2988 | V | 34.3 | Very low | 45.8 | Very low | 120 Ų | 120 | 121.4 Ų | 121.4 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | trans | -170.1 | 112.3 | 149.4 | -178.4 | 0 | 0 | 0 | 0 | 112.3 | S2986 S2990 | S2986-V2988 PolarHBondContact O-N 3.21Å; V2988-S2990 PolarHBondContact O-N 3.35Å | ||
| 2989 | N | 36.5 | Very low | 47.5 | Very low | 145.75 Ų | 145.75 | 118.9 Ų | 118.9 | 78% | 0.779 | 67% | 0.674 | S | S | * | * | trans | 47.6 | 74.4 | 159.8 | -61.3 | -20 | 0 | 0 | 0 | 117.9 | ||||
| 2990 | S | 35.1 | Very low | 49.4 | Very low | 109 Ų | 109 | 110.2 Ų | 110.2 | 76% | 0.762 | 63% | 0.633 | S | S | * | * | trans | -83.2 | -7.8 | -179.4 | 121.4 | 0 | 0 | 0 | 0 | 116.4 | V2988 R2992 | V2988-S2990 PolarHBondContact O-N 3.35Å; S2990-R2992 PolarHBondContact O-N 3.07Å | ||
| 2991 | D | 40.1 | Very low | 51.4 | Low | 153 Ų | 153 | 106.2 Ų | 106.2 | 82% | 0.818 | 61% | 0.612 | S | S | * | * | trans | -87.2 | -0 | -159.6 | -68.2 | -27.7 | 0 | 0 | 0 | 116.9 | K2993 | D2991-K2993 VanDerWaalsContact C-N 3.32Å; D2991-K2993 PolarHBondContact O-N 3.14Å | ||
| 2992 | R | 52 | Low | 53.7 | Low | 154.75 Ų | 154.75 | 105.1 Ų | 105.1 | 58% | 0.584 | 60% | 0.599 | S | S | * | * | trans | -84.5 | 75.2 | 176 | -64.6 | -168.8 | -164.3 | 150.8 | 5.7 | 111.9 | S2990 F2994 D3042 | S2990-R2992 PolarHBondContact O-N 3.07Å; R2992-F2994 PolarHBondContact O-N 2.99Å; R2992-D3042 IonicContact CZ-OD2 2.75Å; R2992-D3042 IonicContact NH1-OD2 3.15Å; R2992-D3042 PolarHBondContact NH1-OD2 3.26Å | ||
| 2993 | K | 52.8 | Low | 56 | Low | 141.5 Ų | 141.5 | 96.8 Ų | 96.8 | 62% | 0.615 | 56% | 0.56 | S | S | * | * | trans | -75.8 | 116.4 | 159.7 | -74.7 | -177.3 | 177.4 | 177.5 | 0 | 108.7 | D2991 T2995 | D2991-K2993 VanDerWaalsContact C-N 3.32Å; D2991-K2993 PolarHBondContact O-N 3.14Å; K2993-T2995 HydrophobicContact CB-CG2 4.34Å; K2993-T2995 PolarHBondContact O-N 3.34Å; K2993-T2995 VanDerWaalsContact O-N 3.12Å | ||
| 2994 | F | 58.7 | Low | 58.3 | Low | 44.75 Ų | 44.75 | 88.5 Ų | 88.5 | 20% | 0.196 | 52% | 0.517 | C | S | . | . | trans | -74.3 | 104.6 | 168.6 | -68.5 | -81 | 0 | 0 | 0 | 108.2 | A2971 R2992 D2999 L3000 F3003 M3046 | A2971-F2994 HydrophobicContact CB-CB 3.94Å; A2971-F2994 HydrophobicContact CB-CG 4.45Å; R2992-F2994 PolarHBondContact O-N 2.99Å; F2994-D2999 HydrophobicContact CD1-CB 3.79Å; F2994-D2999 HydrophobicContact CE1-CB 4.47Å; F2994-D2999 WeakPolarHBondContact CE1-O 3.39Å; F2994-L3000 HydrophobicContact CD1-CB 4.41Å; F2994-F3003 HydrophobicContact CE1-CB 3.58Å; F2994-F3003 HydrophobicContact CE1-CD1 4.21Å; F2994-F3003 HydrophobicContact CE1-CD2 4.47Å; F2994-F3003 AromaticContact CE1-CG 3.85Å; F2994-F3003 HydrophobicContact CE1-CG 3.85Å; F2994-F3003 HydrophobicContact CZ-CB 3.97Å; F2994-F3003 AromaticContact CZ-CD1 3.88Å; F2994-F3003 HydrophobicContact CZ-CD1 3.88Å; F2994-F3003 HydrophobicContact CZ-CD2 4.06Å; F2994-F3003 HydrophobicContact CZ-CE1 4.4Å; F2994-F3003 AromaticContact CZ-CG 3.69Å; F2994-F3003 HydrophobicContact CZ-CG 3.69Å; F2994-M3046 HydrophobicContact CD2-CE 4.02Å; F2994-M3046 HydrophobicContact CD2-SD 4.31Å; F2994-M3046 HydrophobicContact CE2-CE 3.83Å; F2994-M3046 HydrophobicContact CE2-SD 3.54Å; F2994-M3046 VanDerWaalsContact CE2-SD 3.54Å; F2994-M3046 HydrophobicContact CZ-CE 4.36Å; F2994-M3046 HydrophobicContact CZ-SD 3.91Å | ||
| 2995 | T | 55.4 | Low | 60.7 | Low | 119.75 Ų | 119.75 | 87.2 Ų | 87.2 | 74% | 0.735 | 50% | 0.502 | S | S | * | . | trans | -96.7 | -20.1 | -176 | 58 | 0 | 0 | 0 | 0 | 112.9 | K2993 D2999 | K2993-T2995 HydrophobicContact CB-CG2 4.34Å; K2993-T2995 PolarHBondContact O-N 3.34Å; K2993-T2995 VanDerWaalsContact O-N 3.12Å; T2995-D2999 WeakPolarHBondContact CA-OD2 3.3Å; T2995-D2999 PolarHBondContact N-OD2 3.34Å; T2995-D2999 VanDerWaalsContact N-OD2 3.14Å; T2995-D2999 PolarHBondContact OG1-OD2 3.19Å | ||
| 2996 | S | 67.3 | Low | 63.3 | Low | 41 Ų | 41 | 88.3 Ų | 88.3 | 29% | 0.287 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -132.1 | 160.5 | -178.3 | 79.1 | 0 | 0 | 0 | 0 | 113.7 | T2998 D2999 L3000 | S2996-T2998 VanDerWaalsContact CB-OG1 3.25Å; S2996-T2998 WeakPolarHBondContact CB-OG1 3.47Å; S2996-T2998 PolarHBondContact O-N 2.99Å; S2996-T2998 VanDerWaalsContact OG-CB 3.27Å; S2996-T2998 WeakPolarHBondContact OG-CB 3.39Å; S2996-T2998 PolarHBondContact OG-N 3.34Å; S2996-T2998 VanDerWaalsContact OG-N 3.14Å; S2996-T2998 PolarHBondContact OG-OG1 2.99Å; S2996-D2999 WeakPolarHBondContact CB-OD1 3.45Å; S2996-D2999 WeakPolarHBondContact CB-OD2 3.36Å; S2996-D2999 PolarHBondContact N-OD2 3.1Å; S2996-D2999 PolarHBondContact O-N 3.19Å; S2996-D2999 VanDerWaalsContact O-N 3.13Å; S2996-D2999 VanDerWaalsContact OG-CG 3.24Å; S2996-D2999 PolarHBondContact OG-N 3.25Å; S2996-D2999 VanDerWaalsContact OG-N 3.11Å; S2996-D2999 PolarHBondContact OG-OD1 3.36Å; S2996-D2999 PolarHBondContact OG-OD2 2.81Å; S2996-L3000 PolarHBondContact O-N 2.93Å |
| 2997 | E | 74 | Confident | 65.9 | Low | 118.25 Ų | 118.25 | 83.3 Ų | 83.3 | 55% | 0.553 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -58.9 | -34.6 | 169.9 | -155.9 | 158.9 | 170.4 | 0 | 0 | 111.3 | Y2964 L2968 D2999 L3000 M3001 | Y2964-E2997 HydrophobicContact CE1-CG 4.24Å; Y2964-E2997 WeakPolarHBondContact CE1-OE1 3.38Å; Y2964-E2997 WeakPolarHBondContact CE1-OE2 3.4Å; Y2964-E2997 HydrophobicContact CE2-CG 4.23Å; Y2964-E2997 VanDerWaalsContact CZ-OE2 3.26Å; Y2964-E2997 WeakPolarHBondContact OH-CA 3.3Å; Y2964-E2997 VanDerWaalsContact OH-CB 3.3Å; Y2964-E2997 WeakPolarHBondContact OH-CB 3.33Å; Y2964-E2997 WeakPolarHBondContact OH-CG 3.38Å; Y2964-E2997 PolarHBondContact OH-O 3.45Å; Y2964-E2997 VanDerWaalsContact OH-O 3.04Å; Y2964-E2997 PolarHBondContact OH-OE2 3.04Å; L2968-E2997 HydrophobicContact CD1-CG 4.31Å; E2997-D2999 PolarHBondContact O-N 3.25Å; E2997-L3000 PolarHBondContact O-N 3.16Å; E2997-M3001 HydrophobicContact CG-CE 4.12Å; E2997-M3001 WeakPolarHBondContact O-CG 3.03Å; E2997-M3001 PolarHBondContact O-N 3.37Å; E2997-M3001 VanDerWaalsContact O-N 3.16Å |
| 2998 | T | 79.1 | Confident | 68.6 | Low | 91.75 Ų | 91.75 | 78.6 Ų | 78.6 | 56% | 0.563 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.4 | -44.5 | 175.4 | -5.6 | 0 | 0 | 0 | 0 | 112.3 | S2996 L3000 M3001 D3002 | S2996-T2998 VanDerWaalsContact CB-OG1 3.25Å; S2996-T2998 WeakPolarHBondContact CB-OG1 3.47Å; S2996-T2998 PolarHBondContact O-N 2.99Å; S2996-T2998 VanDerWaalsContact OG-CB 3.27Å; S2996-T2998 WeakPolarHBondContact OG-CB 3.39Å; S2996-T2998 PolarHBondContact OG-N 3.34Å; S2996-T2998 VanDerWaalsContact OG-N 3.14Å; S2996-T2998 PolarHBondContact OG-OG1 2.99Å; T2998-L3000 PolarHBondContact O-N 3.16Å; T2998-L3000 VanDerWaalsContact O-N 3.14Å; T2998-M3001 WeakPolarHBondContact O-CA 3.27Å; T2998-M3001 WeakPolarHBondContact O-CB 3.39Å; T2998-M3001 PolarHBondContact O-N 2.91Å; T2998-D3002 WeakPolarHBondContact O-CB 3.25Å; T2998-D3002 PolarHBondContact O-N 3.09Å |
| 2999 | D | 80.9 | Confident | 70.9 | Confident | 53.25 Ų | 53.25 | 77 Ų | 77 | 29% | 0.285 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.7 | -35.3 | -179.1 | -55.3 | -21.5 | 0 | 0 | 0 | 112 | F2994 T2995 S2996 E2997 F3003 | F2994-D2999 HydrophobicContact CD1-CB 3.79Å; F2994-D2999 HydrophobicContact CE1-CB 4.47Å; F2994-D2999 WeakPolarHBondContact CE1-O 3.39Å; T2995-D2999 WeakPolarHBondContact CA-OD2 3.3Å; T2995-D2999 PolarHBondContact N-OD2 3.34Å; T2995-D2999 VanDerWaalsContact N-OD2 3.14Å; T2995-D2999 PolarHBondContact OG1-OD2 3.19Å; S2996-D2999 WeakPolarHBondContact CB-OD1 3.45Å; S2996-D2999 WeakPolarHBondContact CB-OD2 3.36Å; S2996-D2999 PolarHBondContact N-OD2 3.1Å; S2996-D2999 PolarHBondContact O-N 3.19Å; S2996-D2999 VanDerWaalsContact O-N 3.13Å; S2996-D2999 VanDerWaalsContact OG-CG 3.24Å; S2996-D2999 PolarHBondContact OG-N 3.25Å; S2996-D2999 VanDerWaalsContact OG-N 3.11Å; S2996-D2999 PolarHBondContact OG-OD1 3.36Å; S2996-D2999 PolarHBondContact OG-OD2 2.81Å; E2997-D2999 PolarHBondContact O-N 3.25Å; D2999-F3003 WeakPolarHBondContact O-CB 3.34Å; D2999-F3003 PolarHBondContact O-N 3.02Å; D2999-F3003 VanDerWaalsContact O-N 3.14Å |
| 3000 | L | 84 | Confident | 73.1 | Confident | 0.75 Ų | 0.75 | 74.2 Ų | 74.2 | 0% | 0.004 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -74.5 | -35.4 | 177.9 | -179.6 | 54.2 | 0 | 0 | 0 | 111.8 | Y2964 L2967 L2968 F2994 S2996 E2997 T2998 F3003 L3004 M3046 | Y2964-L3000 HydrophobicContact CD2-CD2 4.01Å; Y2964-L3000 HydrophobicContact CD2-CG 4.39Å; Y2964-L3000 HydrophobicContact CE2-CB 4.34Å; Y2964-L3000 HydrophobicContact CE2-CD2 3.54Å; Y2964-L3000 VanDerWaalsContact CE2-CD2 3.49Å; Y2964-L3000 HydrophobicContact CE2-CG 3.91Å; L2967-L3000 HydrophobicContact CB-CD1 4.25Å; L2967-L3000 HydrophobicContact CB-CD2 4.05Å; L2967-L3000 HydrophobicContact CD1-CD1 4.42Å; L2968-L3000 HydrophobicContact CB-CD2 4.23Å; L2968-L3000 HydrophobicContact CD1-CD2 4.28Å; F2994-L3000 HydrophobicContact CD1-CB 4.41Å; S2996-L3000 PolarHBondContact O-N 2.93Å; E2997-L3000 PolarHBondContact O-N 3.16Å; T2998-L3000 PolarHBondContact O-N 3.16Å; T2998-L3000 VanDerWaalsContact O-N 3.14Å; L3000-F3003 HydrophobicContact CD1-CD1 4.23Å; L3000-F3003 PolarHBondContact O-N 3.21Å; L3000-L3004 VanDerWaalsContact O-CG 3.3Å; L3000-L3004 WeakPolarHBondContact O-CG 3.39Å; L3000-L3004 PolarHBondContact O-N 3.15Å; L3000-M3046 HydrophobicContact CD1-CE 3.95Å |
| 3001 | M | 83.4 | Confident | 75.3 | Confident | 58.3333 Ų | 58.3333 | 70 Ų | 70 | 29% | 0.287 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.4 | -50.2 | 170.9 | -63.7 | -61.5 | -152.3 | 0 | 0 | 110.6 | Y2964 E2997 T2998 F3003 L3004 D3005 R3155 | Y2964-M3001 HydrophobicContact CD2-CE 3.89Å; Y2964-M3001 HydrophobicContact CD2-SD 4.33Å; Y2964-M3001 HydrophobicContact CE2-CE 3.78Å; Y2964-M3001 HydrophobicContact CE2-CG 4.22Å; Y2964-M3001 HydrophobicContact CE2-SD 3.95Å; E2997-M3001 HydrophobicContact CG-CE 4.12Å; E2997-M3001 WeakPolarHBondContact O-CG 3.03Å; E2997-M3001 PolarHBondContact O-N 3.37Å; E2997-M3001 VanDerWaalsContact O-N 3.16Å; T2998-M3001 WeakPolarHBondContact O-CA 3.27Å; T2998-M3001 WeakPolarHBondContact O-CB 3.39Å; T2998-M3001 PolarHBondContact O-N 2.91Å; M3001-F3003 PolarHBondContact O-N 3.17Å; M3001-F3003 VanDerWaalsContact O-N 3.1Å; M3001-L3004 CarbonylContact O-C 3.58Å; M3001-L3004 WeakPolarHBondContact O-CA 3.22Å; M3001-L3004 WeakPolarHBondContact O-CB 3.23Å; M3001-L3004 PolarHBondContact O-N 3.21Å; M3001-L3004 HydrophobicContact SD-CD1 4.39Å; M3001-D3005 VanDerWaalsContact O-CG 3.26Å; M3001-D3005 PolarHBondContact O-N 3.09Å; M3001-R3155 PolarHBondContact SD-NH1 3.23Å |
| 3002 | D | 85 | Confident | 77 | Confident | 79 Ų | 79 | 64 Ų | 64 | 42% | 0.422 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -51.5 | -35.2 | 174.2 | -112.3 | 61.2 | 0 | 0 | 0 | 113.3 | T2998 K3006 | T2998-D3002 WeakPolarHBondContact O-CB 3.25Å; T2998-D3002 PolarHBondContact O-N 3.09Å; D3002-K3006 WeakPolarHBondContact O-CB 3.39Å; D3002-K3006 WeakPolarHBondContact O-CD 3.32Å; D3002-K3006 WeakPolarHBondContact O-CE 3.41Å; D3002-K3006 VanDerWaalsContact O-CG 3.22Å; D3002-K3006 WeakPolarHBondContact O-CG 3.19Å; D3002-K3006 PolarHBondContact O-N 3.14Å; D3002-K3006 VanDerWaalsContact O-N 3.1Å; D3002-K3006 PolarHBondContact O-NZ 3.17Å; D3002-K3006 IonicContact OD2-NZ 3.02Å; D3002-K3006 PolarHBondContact OD2-NZ 3.09Å |
| 3003 | F | 86.9 | Confident | 77.9 | Confident | 11.6667 Ų | 11.6667 | 67.2 Ų | 67.2 | 5% | 0.051 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -80 | -36.1 | 176.9 | 171.4 | -104.3 | 0 | 0 | 0 | 112.9 | F2994 D2999 L3000 M3001 D3005 K3006 C3007 D3042 L3043 M3046 | F2994-F3003 HydrophobicContact CE1-CB 3.58Å; F2994-F3003 HydrophobicContact CE1-CD1 4.21Å; F2994-F3003 HydrophobicContact CE1-CD2 4.47Å; F2994-F3003 AromaticContact CE1-CG 3.85Å; F2994-F3003 HydrophobicContact CE1-CG 3.85Å; F2994-F3003 HydrophobicContact CZ-CB 3.97Å; F2994-F3003 AromaticContact CZ-CD1 3.88Å; F2994-F3003 HydrophobicContact CZ-CD1 3.88Å; F2994-F3003 HydrophobicContact CZ-CD2 4.06Å; F2994-F3003 HydrophobicContact CZ-CE1 4.4Å; F2994-F3003 AromaticContact CZ-CG 3.69Å; F2994-F3003 HydrophobicContact CZ-CG 3.69Å; D2999-F3003 WeakPolarHBondContact O-CB 3.34Å; D2999-F3003 PolarHBondContact O-N 3.02Å; D2999-F3003 VanDerWaalsContact O-N 3.14Å; L3000-F3003 HydrophobicContact CD1-CD1 4.23Å; L3000-F3003 PolarHBondContact O-N 3.21Å; M3001-F3003 PolarHBondContact O-N 3.17Å; M3001-F3003 VanDerWaalsContact O-N 3.1Å; F3003-D3005 VanDerWaalsContact C-N 3.33Å; F3003-K3006 CarbonylContact O-C 3.53Å; F3003-K3006 PolarHBondContact O-N 3.04Å; F3003-C3007 PolarHBondContact O-N 3.06Å; F3003-C3007 PolarHBondContact O-SG 3.1Å; F3003-D3042 HydrophobicContact CE2-CB 3.89Å; F3003-D3042 HydrophobicContact CZ-CB 3.65Å; F3003-L3043 HydrophobicContact CE1-CB 3.98Å; F3003-L3043 HydrophobicContact CE1-CD1 3.92Å; F3003-L3043 HydrophobicContact CZ-CB 4Å; F3003-M3046 HydrophobicContact CD1-SD 4.27Å; F3003-M3046 HydrophobicContact CE1-SD 3.78Å; F3003-M3046 HydrophobicContact CZ-SD 4.34Å |
| 3004 | L | 88.5 | Confident | 78.8 | Confident | 3.66667 Ų | 3.66667 | 64.6 Ų | 64.6 | 2% | 0.019 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 171.3 | -72.9 | 169.7 | 0 | 0 | 0 | 111.2 | Y2964 L2967 L3000 M3001 K3006 C3007 E3008 L3043 L3152 | Y2964-L3004 HydrophobicContact CD2-CD1 4.35Å; Y2964-L3004 HydrophobicContact CE2-CD1 4.5Å; L2967-L3004 HydrophobicContact CD1-CD2 3.97Å; L3000-L3004 VanDerWaalsContact O-CG 3.3Å; L3000-L3004 WeakPolarHBondContact O-CG 3.39Å; L3000-L3004 PolarHBondContact O-N 3.15Å; M3001-L3004 CarbonylContact O-C 3.58Å; M3001-L3004 WeakPolarHBondContact O-CA 3.22Å; M3001-L3004 WeakPolarHBondContact O-CB 3.23Å; M3001-L3004 PolarHBondContact O-N 3.21Å; M3001-L3004 HydrophobicContact SD-CD1 4.39Å; L3004-K3006 VanDerWaalsContact C-N 3.33Å; L3004-K3006 PolarHBondContact O-N 2.83Å; L3004-C3007 CarbonylContact O-C 3.54Å; L3004-C3007 WeakPolarHBondContact O-CA 3.39Å; L3004-C3007 VanDerWaalsContact O-CB 3.29Å; L3004-C3007 WeakPolarHBondContact O-CB 3.46Å; L3004-C3007 PolarHBondContact O-N 3.07Å; L3004-E3008 WeakPolarHBondContact O-CB 3.42Å; L3004-E3008 PolarHBondContact O-N 3.2Å; L3004-L3043 HydrophobicContact CD2-CD1 3.91Å; L3004-L3152 HydrophobicContact CD2-CD2 4.13Å |
| 3005 | D | 87 | Confident | 79.5 | Confident | 72 Ų | 72 | 62.6 Ų | 62.6 | 39% | 0.385 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 175.6 | -63.9 | -33.2 | 0 | 0 | 0 | 111.5 | M3001 F3003 C3007 E3008 A3009 R3155 | M3001-D3005 VanDerWaalsContact O-CG 3.26Å; M3001-D3005 PolarHBondContact O-N 3.09Å; F3003-D3005 VanDerWaalsContact C-N 3.33Å; D3005-C3007 VanDerWaalsContact C-N 3.29Å; D3005-C3007 PolarHBondContact O-N 3.18Å; D3005-E3008 PolarHBondContact O-N 3.15Å; D3005-A3009 WeakPolarHBondContact O-CB 3.35Å; D3005-A3009 PolarHBondContact O-N 2.96Å; D3005-R3155 IonicContact OD1-CZ 3.41Å; D3005-R3155 IonicContact OD1-NE 3.16Å; D3005-R3155 IonicContact OD1-NH1 2.82Å; D3005-R3155 PolarHBondContact OD1-NH1 3.5Å; D3005-R3155 IonicContact OD1-NH2 3.33Å; D3005-R3155 PolarHBondContact OD1-NH2 3.39Å; D3005-R3155 IonicContact OD2-CZ 2.71Å; D3005-R3155 IonicContact OD2-NH2 2.75Å; D3005-R3155 PolarHBondContact OD2-NH2 3.41Å |
| 3006 | K | 86.3 | Confident | 80.5 | Confident | 109.333 Ų | 109.333 | 59 Ų | 59 | 48% | 0.475 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.6 | -28.9 | 170.2 | -71.4 | 160.2 | -164.1 | 132.3 | 0 | 112.6 | D3002 F3003 L3004 N3010 | D3002-K3006 WeakPolarHBondContact O-CB 3.39Å; D3002-K3006 WeakPolarHBondContact O-CD 3.32Å; D3002-K3006 WeakPolarHBondContact O-CE 3.41Å; D3002-K3006 VanDerWaalsContact O-CG 3.22Å; D3002-K3006 WeakPolarHBondContact O-CG 3.19Å; D3002-K3006 PolarHBondContact O-N 3.14Å; D3002-K3006 VanDerWaalsContact O-N 3.1Å; D3002-K3006 PolarHBondContact O-NZ 3.17Å; D3002-K3006 IonicContact OD2-NZ 3.02Å; D3002-K3006 PolarHBondContact OD2-NZ 3.09Å; F3003-K3006 CarbonylContact O-C 3.53Å; F3003-K3006 PolarHBondContact O-N 3.04Å; L3004-K3006 VanDerWaalsContact C-N 3.33Å; L3004-K3006 PolarHBondContact O-N 2.83Å; K3006-N3010 PolarHBondContact O-ND2 3.39Å |
| 3007 | C | 87 | Confident | 81 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73.4 | -42.6 | 171.1 | -65.4 | 0 | 0 | 0 | 0 | 111.6 | F3003 L3004 D3005 A3009 N3010 L3011 L3043 L3152 | F3003-C3007 PolarHBondContact O-N 3.06Å; F3003-C3007 PolarHBondContact O-SG 3.1Å; L3004-C3007 CarbonylContact O-C 3.54Å; L3004-C3007 WeakPolarHBondContact O-CA 3.39Å; L3004-C3007 VanDerWaalsContact O-CB 3.29Å; L3004-C3007 WeakPolarHBondContact O-CB 3.46Å; L3004-C3007 PolarHBondContact O-N 3.07Å; D3005-C3007 VanDerWaalsContact C-N 3.29Å; D3005-C3007 PolarHBondContact O-N 3.18Å; C3007-A3009 PolarHBondContact O-N 3.09Å; C3007-N3010 CarbonylContact O-C 3.59Å; C3007-N3010 PolarHBondContact O-N 3.22Å; C3007-N3010 VanDerWaalsContact O-N 3.07Å; C3007-L3011 WeakPolarHBondContact O-CD1 3.16Å; C3007-L3011 PolarHBondContact O-N 3.03Å; C3007-L3043 HydrophobicContact CB-CD2 4.22Å; C3007-L3152 HydrophobicContact CB-CD1 3.83Å; C3007-L3152 HydrophobicContact CB-CD2 3.91Å |
| 3008 | E | 85.6 | Confident | 81.1 | Confident | 23.6667 Ų | 23.6667 | 55.5 Ų | 55.5 | 11% | 0.111 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 178.6 | -100 | 177.6 | -166.2 | 0 | 0 | 112.5 | L3004 D3005 N3010 L3011 L3152 R3155 R3156 | L3004-E3008 WeakPolarHBondContact O-CB 3.42Å; L3004-E3008 PolarHBondContact O-N 3.2Å; D3005-E3008 PolarHBondContact O-N 3.15Å; E3008-N3010 PolarHBondContact O-N 3.18Å; E3008-L3011 PolarHBondContact O-N 3.35Å; E3008-L3152 HydrophobicContact CB-CD2 4.3Å; E3008-L3152 HydrophobicContact CG-CB 3.97Å; E3008-L3152 HydrophobicContact CG-CD2 3.72Å; E3008-L3152 HydrophobicContact CG-CG 4.43Å; E3008-R3155 WeakPolarHBondContact OE1-CB 3.44Å; E3008-R3155 WeakPolarHBondContact OE1-CD 3.44Å; E3008-R3155 WeakPolarHBondContact OE1-CG 3.25Å; E3008-R3155 IonicContact OE1-CZ 3.61Å; E3008-R3155 IonicContact OE1-NE 2.74Å; E3008-R3155 PolarHBondContact OE1-NE 3.4Å; E3008-R3155 IonicContact OE1-NH1 2.85Å; E3008-R3155 WeakPolarHBondContact OE2-CD 3.27Å; E3008-R3155 WeakPolarHBondContact OE2-CG 3.47Å; E3008-R3155 IonicContact OE2-CZ 3.83Å; E3008-R3155 IonicContact OE2-NE 2.94Å; E3008-R3155 IonicContact OE2-NH1 2.71Å; E3008-R3155 PolarHBondContact OE2-NH1 3.1Å; E3008-R3156 HydrophobicContact CG-CB 4.1Å; E3008-R3156 VanDerWaalsContact OE1-CA 3.27Å; E3008-R3156 WeakPolarHBondContact OE1-CA 3.39Å; E3008-R3156 WeakPolarHBondContact OE1-CB 3.2Å; E3008-R3156 WeakPolarHBondContact OE1-CG 3.5Å; E3008-R3156 VanDerWaalsContact OE2-CA 3.28Å; E3008-R3156 WeakPolarHBondContact OE2-CA 3.33Å; E3008-R3156 VanDerWaalsContact OE2-CB 3.29Å; E3008-R3156 WeakPolarHBondContact OE2-CB 3.26Å; E3008-R3156 PolarHBondContact OE2-N 3.29Å |
| 3009 | A | 83.5 | Confident | 80.9 | Confident | 86 Ų | 86 | 52.2 Ų | 52.2 | 71% | 0.711 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -19.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D3005 C3007 | D3005-A3009 WeakPolarHBondContact O-CB 3.35Å; D3005-A3009 PolarHBondContact O-N 2.96Å; C3007-A3009 PolarHBondContact O-N 3.09Å |
| 3010 | N | 82.7 | Confident | 80.5 | Confident | 86.3333 Ų | 86.3333 | 51.2 Ų | 51.2 | 46% | 0.462 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 7.9 | 178.4 | -78.8 | -59.2 | 0 | 0 | 0 | 113.6 | K3006 C3007 E3008 S3039 | K3006-N3010 PolarHBondContact O-ND2 3.39Å; C3007-N3010 CarbonylContact O-C 3.59Å; C3007-N3010 PolarHBondContact O-N 3.22Å; C3007-N3010 VanDerWaalsContact O-N 3.07Å; E3008-N3010 PolarHBondContact O-N 3.18Å; N3010-S3039 PolarHBondContact ND2-OG 2.9Å |
| 3011 | L | 80.7 | Confident | 79.8 | Confident | 21.6667 Ų | 21.6667 | 55.6 Ų | 55.6 | 11% | 0.113 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -68.7 | 140 | 175.4 | -111.6 | 67.9 | 0 | 0 | 0 | 111.5 | C3007 E3008 R3149 L3152 V3153 | C3007-L3011 WeakPolarHBondContact O-CD1 3.16Å; C3007-L3011 PolarHBondContact O-N 3.03Å; E3008-L3011 PolarHBondContact O-N 3.35Å; L3011-R3149 HydrophobicContact CD1-CG 4.39Å; L3011-L3152 HydrophobicContact CD1-CB 3.76Å; L3011-L3152 HydrophobicContact CD1-CD1 3.55Å; L3011-L3152 HydrophobicContact CD1-CG 4.29Å; L3011-L3152 HydrophobicContact CD2-CB 4.04Å; L3011-V3153 HydrophobicContact CD2-CG2 3.51Å; L3011-V3153 VanDerWaalsContact CD2-CG2 3.43Å |
| 3012 | P | 75.7 | Confident | 79.2 | Confident | 27.3333 Ų | 27.3333 | 60.8 Ų | 60.8 | 18% | 0.177 | 30% | 0.301 | C | S | . | . | trans | -57.9 | 148.2 | 171.8 | -22.7 | 33.3 | 0 | 0 | 0 | 112 | E3014 Y3015 L3030 I3034 | P3012-E3014 WeakPolarHBondContact CB-OE2 3.25Å; P3012-E3014 PolarHBondContact O-N 3.19Å; P3012-E3014 VanDerWaalsContact O-N 3.16Å; P3012-Y3015 HydrophobicContact CB-CD2 4.41Å; P3012-Y3015 HydrophobicContact CG-CD2 4.34Å; P3012-Y3015 WeakPolarHBondContact O-CA 3.27Å; P3012-Y3015 WeakPolarHBondContact O-CB 3.42Å; P3012-Y3015 PolarHBondContact O-N 3.08Å; P3012-L3030 HydrophobicContact CB-CD2 3.66Å; P3012-L3030 HydrophobicContact CG-CD2 4Å; P3012-I3034 HydrophobicContact CB-CD1 4.14Å; P3012-I3034 HydrophobicContact CG-CD1 3.43Å; P3012-I3034 VanDerWaalsContact CG-CD1 3.43Å | ||
| 3013 | R | 72.1 | Confident | 78.5 | Confident | 222 Ų | 222 | 63.4 Ų | 63.4 | 84% | 0.838 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -64.1 | -25.3 | -179.6 | -99.3 | -177.9 | -153.3 | -174.4 | -0.6 | 112.4 | Y3015 D3016 | R3013-Y3015 VanDerWaalsContact C-N 3.28Å; R3013-Y3015 PolarHBondContact O-N 3.1Å; R3013-D3016 WeakPolarHBondContact O-CB 3.39Å; R3013-D3016 PolarHBondContact O-N 3.33Å; R3013-D3016 VanDerWaalsContact O-N 3.11Å |
| 3014 | E | 70.7 | Confident | 77.7 | Confident | 86 Ų | 86 | 64.2 Ų | 64.2 | 40% | 0.402 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -68.5 | -24.5 | 176.7 | -58.7 | 66.9 | -145.8 | 0 | 0 | 111.5 | P3012 D3016 T3019 M3027 L3030 | P3012-E3014 WeakPolarHBondContact CB-OE2 3.25Å; P3012-E3014 PolarHBondContact O-N 3.19Å; P3012-E3014 VanDerWaalsContact O-N 3.16Å; E3014-D3016 VanDerWaalsContact C-N 3.27Å; E3014-D3016 PolarHBondContact O-N 3.12Å; E3014-T3019 VanDerWaalsContact O-CB 3.25Å; E3014-T3019 WeakPolarHBondContact O-CB 3.45Å; E3014-T3019 WeakPolarHBondContact O-CG2 3.38Å; E3014-T3019 PolarHBondContact O-OG1 3.24Å; E3014-M3027 WeakPolarHBondContact O-CE 3.31Å; E3014-L3030 HydrophobicContact CB-CD2 3.8Å; E3014-L3030 HydrophobicContact CG-CD2 4.07Å |
| 3015 | Y | 73.3 | Confident | 76.8 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.008 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -85.4 | 28.3 | 172.5 | -90.7 | -97 | 0 | 0 | 0 | 112.5 | P3012 R3013 F3017 M3027 L3030 D3031 R3149 H3150 V3153 | P3012-Y3015 HydrophobicContact CB-CD2 4.41Å; P3012-Y3015 HydrophobicContact CG-CD2 4.34Å; P3012-Y3015 WeakPolarHBondContact O-CA 3.27Å; P3012-Y3015 WeakPolarHBondContact O-CB 3.42Å; P3012-Y3015 PolarHBondContact O-N 3.08Å; R3013-Y3015 VanDerWaalsContact C-N 3.28Å; R3013-Y3015 PolarHBondContact O-N 3.1Å; Y3015-F3017 PolarHBondContact O-N 3.04Å; Y3015-M3027 HydrophobicContact CD1-CE 3.98Å; Y3015-M3027 HydrophobicContact CD1-SD 4.42Å; Y3015-M3027 HydrophobicContact CD2-CE 3.97Å; Y3015-M3027 HydrophobicContact CD2-SD 4.04Å; Y3015-M3027 HydrophobicContact CE1-CE 4.19Å; Y3015-M3027 HydrophobicContact CE1-SD 4.16Å; Y3015-M3027 HydrophobicContact CE2-CE 4.16Å; Y3015-M3027 HydrophobicContact CE2-CG 4.33Å; Y3015-M3027 HydrophobicContact CE2-SD 3.75Å; Y3015-M3027 HydrophobicContact CG-CE 3.9Å; Y3015-M3027 HydrophobicContact CG-SD 4.37Å; Y3015-L3030 HydrophobicContact CD2-CD2 3.94Å; Y3015-L3030 HydrophobicContact CE2-CD2 4.11Å; Y3015-D3031 PolarHBondContact OH-OD1 3.35Å; Y3015-R3149 HydrophobicContact CD1-CB 3.81Å; Y3015-R3149 HydrophobicContact CD1-CG 4.43Å; Y3015-R3149 HydrophobicContact CE1-CB 3.44Å; Y3015-R3149 HydrophobicContact CE1-CG 4.21Å; Y3015-R3149 HydrophobicContact CG-CB 4.5Å; Y3015-R3149 VanDerWaalsContact CZ-CD 3.44Å; Y3015-R3149 WeakPolarHBondContact OH-CD 3.49Å; Y3015-H3150 AromaticContact CE1-CD2 3.77Å; Y3015-H3150 AromaticContact CE1-NE2 3.92Å; Y3015-V3153 HydrophobicContact CD1-CG2 4.29Å; Y3015-V3153 VanDerWaalsContact O-CG2 3.27Å; Y3015-V3153 WeakPolarHBondContact O-CG2 3.47Å |
| 3016 | D | 77 | Confident | 76.1 | Confident | 45.6667 Ų | 45.6667 | 71.9 Ų | 71.9 | 24% | 0.244 | 35% | 0.349 | C | S | . | . | trans | -73.4 | 136.3 | 166.2 | -171.3 | -20.9 | 0 | 0 | 0 | 110 | R3013 E3014 N3018 T3019 | R3013-D3016 WeakPolarHBondContact O-CB 3.39Å; R3013-D3016 PolarHBondContact O-N 3.33Å; R3013-D3016 VanDerWaalsContact O-N 3.11Å; E3014-D3016 VanDerWaalsContact C-N 3.27Å; E3014-D3016 PolarHBondContact O-N 3.12Å; D3016-N3018 PolarHBondContact O-N 3.17Å; D3016-N3018 VanDerWaalsContact O-N 3.12Å; D3016-N3018 VanDerWaalsContact OD1-CB 3.3Å; D3016-N3018 WeakPolarHBondContact OD1-CB 3.4Å; D3016-N3018 PolarHBondContact OD1-N 3.21Å; D3016-N3018 PolarHBondContact OD1-ND2 3.16Å; D3016-N3018 PolarHBondContact OD2-ND2 3.2Å; D3016-T3019 VanDerWaalsContact O-CB 3.27Å; D3016-T3019 WeakPolarHBondContact O-CB 3.41Å; D3016-T3019 PolarHBondContact O-N 3.28Å; D3016-T3019 PolarHBondContact O-OG1 3.09Å | ||
| 3017 | F | 76.8 | Confident | 75.3 | Confident | 9.66667 Ų | 9.66667 | 66.8 Ų | 66.8 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -33.2 | 170.5 | 174 | -108.4 | 0 | 0 | 0 | 112.4 | Y3015 T3019 L3071 M3074 K3078 S3123 V3153 E3157 | Y3015-F3017 PolarHBondContact O-N 3.04Å; F3017-T3019 VanDerWaalsContact C-N 3.3Å; F3017-T3019 PolarHBondContact O-N 3.02Å; F3017-L3071 HydrophobicContact CD2-CD2 4.08Å; F3017-L3071 HydrophobicContact CE2-CB 4.48Å; F3017-L3071 HydrophobicContact CE2-CD2 4.17Å; F3017-L3071 WeakPolarHBondContact CE2-O 3.2Å; F3017-M3074 HydrophobicContact CE1-CB 4.44Å; F3017-M3074 HydrophobicContact CE2-CB 4.13Å; F3017-M3074 HydrophobicContact CZ-CB 3.78Å; F3017-K3078 HydrophobicContact CE1-CD 4.39Å; F3017-S3123 VanDerWaalsContact O-CB 3.22Å; F3017-S3123 WeakPolarHBondContact O-CB 3.36Å; F3017-S3123 PolarHBondContact O-OG 2.91Å; F3017-V3153 HydrophobicContact CB-CG1 3.95Å; F3017-E3157 HydrophobicContact CB-CG 3.64Å; F3017-E3157 WeakPolarHBondContact CB-OE1 3.18Å; F3017-E3157 HydrophobicContact CD1-CG 4.14Å; F3017-E3157 HydrophobicContact CD2-CG 4.25Å; F3017-E3157 HydrophobicContact CG-CG 3.76Å |
| 3018 | N | 75.8 | Confident | 74.6 | Confident | 75.6667 Ų | 75.6667 | 70.7 Ų | 70.7 | 41% | 0.405 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -9.5 | 179.2 | -59.9 | -73.9 | 0 | 0 | 0 | 114.1 | D3016 S3020 K3078 | D3016-N3018 PolarHBondContact O-N 3.17Å; D3016-N3018 VanDerWaalsContact O-N 3.12Å; D3016-N3018 VanDerWaalsContact OD1-CB 3.3Å; D3016-N3018 WeakPolarHBondContact OD1-CB 3.4Å; D3016-N3018 PolarHBondContact OD1-N 3.21Å; D3016-N3018 PolarHBondContact OD1-ND2 3.16Å; D3016-N3018 PolarHBondContact OD2-ND2 3.2Å; N3018-S3020 PolarHBondContact O-N 3.29Å; N3018-S3020 VanDerWaalsContact O-N 3.1Å; N3018-K3078 PolarHBondContact OD1-NZ 3.21Å |
| 3019 | T | 75.8 | Confident | 73.9 | Confident | 21.3333 Ų | 21.3333 | 71.7 Ų | 71.7 | 13% | 0.131 | 36% | 0.356 | C | S | . | . | trans | -63.8 | 112.7 | -179.2 | -61.9 | 0 | 0 | 0 | 0 | 111.1 | E3014 D3016 F3017 Y3023 M3027 C3124 | E3014-T3019 VanDerWaalsContact O-CB 3.25Å; E3014-T3019 WeakPolarHBondContact O-CB 3.45Å; E3014-T3019 WeakPolarHBondContact O-CG2 3.38Å; E3014-T3019 PolarHBondContact O-OG1 3.24Å; D3016-T3019 VanDerWaalsContact O-CB 3.27Å; D3016-T3019 WeakPolarHBondContact O-CB 3.41Å; D3016-T3019 PolarHBondContact O-N 3.28Å; D3016-T3019 PolarHBondContact O-OG1 3.09Å; F3017-T3019 VanDerWaalsContact C-N 3.3Å; F3017-T3019 PolarHBondContact O-N 3.02Å; T3019-Y3023 HydrophobicContact CG2-CD2 4.29Å; T3019-Y3023 HydrophobicContact CG2-CG 4.4Å; T3019-M3027 HydrophobicContact CG2-CE 4.38Å; T3019-C3124 VanDerWaalsContact CB-SG 3.57Å; T3019-C3124 HydrophobicContact CG2-CB 4.23Å; T3019-C3124 VanDerWaalsContact CG2-SG 3.6Å; T3019-C3124 WeakPolarHBondContact O-CB 3.32Å; T3019-C3124 PolarHBondContact O-N 3.21Å; T3019-C3124 VanDerWaalsContact O-N 3.16Å; T3019-C3124 PolarHBondContact O-SG 2.99Å | ||
| 3020 | S | 72.3 | Confident | 73.2 | Confident | 33 Ų | 33 | 69.2 Ų | 69.2 | 23% | 0.231 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -65 | 144.2 | 177.9 | -172.1 | 0 | 0 | 0 | 0 | 111.7 | N3018 K3022 Y3023 T3121 | N3018-S3020 PolarHBondContact O-N 3.29Å; N3018-S3020 VanDerWaalsContact O-N 3.1Å; S3020-K3022 PolarHBondContact O-N 3.09Å; S3020-Y3023 PolarHBondContact O-N 3.28Å; S3020-T3121 WeakPolarHBondContact OG-CG2 3.44Å |
| 3021 | Y | 70.4 | Confident | 72.7 | Confident | 94 Ų | 94 | 65.9 Ų | 65.9 | 37% | 0.369 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -50.6 | -21.4 | 176.3 | 102.8 | -93.1 | 0 | 0 | 0 | 115.7 | Y3023 M3024 Y3127 F3131 | Y3021-Y3023 PolarHBondContact O-N 3.06Å; Y3021-Y3023 VanDerWaalsContact O-N 3.16Å; Y3021-M3024 HydrophobicContact CD2-CB 3.95Å; Y3021-M3024 HydrophobicContact CD2-SD 4.07Å; Y3021-M3024 HydrophobicContact CE2-CB 4.01Å; Y3021-M3024 HydrophobicContact CE2-CE 3.73Å; Y3021-M3024 HydrophobicContact CE2-SD 3.76Å; Y3021-M3024 VanDerWaalsContact O-CB 3.3Å; Y3021-M3024 WeakPolarHBondContact O-CB 3.3Å; Y3021-M3024 PolarHBondContact O-N 3.3Å; Y3021-Y3127 VanDerWaalsContact CB-CE2 3.45Å; Y3021-Y3127 HydrophobicContact CD1-CD2 4.35Å; Y3021-Y3127 AromaticContact CD1-CE2 3.53Å; Y3021-Y3127 HydrophobicContact CD1-CE2 3.53Å; Y3021-Y3127 AromaticContact CD1-CZ 3.9Å; Y3021-Y3127 AromaticContact CD2-CD1 3.74Å; Y3021-Y3127 HydrophobicContact CD2-CD1 3.74Å; Y3021-Y3127 HydrophobicContact CD2-CD2 4.11Å; Y3021-Y3127 HydrophobicContact CD2-CE1 4.3Å; Y3021-Y3127 AromaticContact CD2-CE2 4Å; Y3021-Y3127 HydrophobicContact CD2-CE2 4.18Å; Y3021-Y3127 AromaticContact CD2-CG 3.69Å; Y3021-Y3127 HydrophobicContact CD2-CG 3.69Å; Y3021-Y3127 AromaticContact CD2-CZ 3.93Å; Y3021-Y3127 HydrophobicContact CE1-CE2 4.39Å; Y3021-Y3127 HydrophobicContact CE2-CD1 4.26Å; Y3021-Y3127 HydrophobicContact CG-CD1 4.12Å; Y3021-Y3127 AromaticContact CG-CD2 3.83Å; Y3021-Y3127 HydrophobicContact CG-CD2 3.91Å; Y3021-Y3127 HydrophobicContact CG-CE1 4.32Å; Y3021-Y3127 AromaticContact CG-CE2 3.32Å; Y3021-Y3127 HydrophobicContact CG-CE2 3.55Å; Y3021-Y3127 HydrophobicContact CG-CG 4.29Å; Y3021-Y3127 AromaticContact CG-CZ 3.68Å; Y3021-F3131 HydrophobicContact CD2-CE2 4.08Å; Y3021-F3131 HydrophobicContact CE2-CD2 4.39Å; Y3021-F3131 AromaticContact CE2-CE2 3.45Å; Y3021-F3131 HydrophobicContact CE2-CE2 3.45Å; Y3021-F3131 VanDerWaalsContact CE2-CE2 3.45Å; Y3021-F3131 HydrophobicContact CE2-CZ 4.04Å |
| 3022 | K | 70.2 | Confident | 72.1 | Confident | 166.333 Ų | 166.333 | 71.4 Ų | 71.4 | 72% | 0.723 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -55.2 | -23.8 | 172.6 | -92.7 | -178.5 | 178.8 | -177.3 | 0 | 112.9 | S3020 | S3020-K3022 PolarHBondContact O-N 3.09Š|
| 3023 | Y | 70.1 | Confident | 71.5 | Confident | 135 Ų | 135 | 76 Ų | 76 | 53% | 0.529 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -97.5 | 15.2 | 177.9 | -58.9 | -70 | 0 | 0 | 0 | 113.5 | T3019 S3020 Y3021 E3025 T3026 M3027 | T3019-Y3023 HydrophobicContact CG2-CD2 4.29Å; T3019-Y3023 HydrophobicContact CG2-CG 4.4Å; S3020-Y3023 PolarHBondContact O-N 3.28Å; Y3021-Y3023 PolarHBondContact O-N 3.06Å; Y3021-Y3023 VanDerWaalsContact O-N 3.16Å; Y3023-E3025 PolarHBondContact O-N 3.29Å; Y3023-T3026 VanDerWaalsContact C-OG1 3.23Å; Y3023-T3026 WeakPolarHBondContact CA-OG1 3.43Å; Y3023-T3026 WeakPolarHBondContact CB-OG1 3.49Å; Y3023-T3026 PolarHBondContact O-N 3.19Å; Y3023-T3026 PolarHBondContact O-OG1 3.11Å; Y3023-M3027 PolarHBondContact O-N 3.07Å; Y3023-M3027 VanDerWaalsContact O-N 3.07Å |
| 3024 | M | 69.4 | Low | 70.8 | Confident | 27.6667 Ų | 27.6667 | 70.6 Ų | 70.6 | 14% | 0.136 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.5 | -33.2 | 178.5 | -176.4 | 180 | 63.1 | 0 | 0 | 113 | Y3021 M3027 K3028 C3124 F3131 | Y3021-M3024 HydrophobicContact CD2-CB 3.95Å; Y3021-M3024 HydrophobicContact CD2-SD 4.07Å; Y3021-M3024 HydrophobicContact CE2-CB 4.01Å; Y3021-M3024 HydrophobicContact CE2-CE 3.73Å; Y3021-M3024 HydrophobicContact CE2-SD 3.76Å; Y3021-M3024 VanDerWaalsContact O-CB 3.3Å; Y3021-M3024 WeakPolarHBondContact O-CB 3.3Å; Y3021-M3024 PolarHBondContact O-N 3.3Å; M3024-M3027 PolarHBondContact O-N 3.33Å; M3024-K3028 HydrophobicContact CG-CD 4.25Å; M3024-K3028 HydrophobicContact CG-CG 4.44Å; M3024-K3028 WeakPolarHBondContact O-CB 3.44Å; M3024-K3028 VanDerWaalsContact O-CG 3.31Å; M3024-K3028 WeakPolarHBondContact O-CG 3.39Å; M3024-K3028 PolarHBondContact O-N 2.91Å; M3024-C3124 WeakPolarHBondContact CA-SG 3.4Å; M3024-F3131 HydrophobicContact CE-CD2 3.78Å; M3024-F3131 HydrophobicContact CE-CE2 3.74Å; M3024-F3131 VanDerWaalsContact CE-CE2 3.49Å; M3024-F3131 HydrophobicContact CE-CG 4.47Å; M3024-F3131 HydrophobicContact CE-CZ 4.29Å; M3024-F3131 HydrophobicContact SD-CD2 3.48Å; M3024-F3131 VanDerWaalsContact SD-CD2 3.52Å; M3024-F3131 WeakPolarHBondContact SD-CD2 3.21Å; M3024-F3131 HydrophobicContact SD-CE2 3.84Å; M3024-F3131 HydrophobicContact SD-CG 4.47Å |
| 3025 | E | 69.8 | Low | 70.3 | Confident | 164.333 Ų | 164.333 | 71.4 Ų | 71.4 | 77% | 0.768 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -68 | -40.3 | 175.7 | -67.7 | -178.6 | 169.3 | 0 | 0 | 111.8 | Y3023 M3027 K3028 A3029 | Y3023-E3025 PolarHBondContact O-N 3.29Å; E3025-M3027 PolarHBondContact O-N 3.31Å; E3025-K3028 PolarHBondContact O-N 3.17Å; E3025-A3029 WeakPolarHBondContact O-CB 3.35Å; E3025-A3029 PolarHBondContact O-N 2.9Å |
| 3026 | T | 71.8 | Confident | 70 | Confident | 73.6667 Ų | 73.6667 | 73.9 Ų | 73.9 | 45% | 0.452 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 174.2 | 54 | 0 | 0 | 0 | 0 | 111.9 | Y3023 A3029 L3030 | Y3023-T3026 VanDerWaalsContact C-OG1 3.23Å; Y3023-T3026 WeakPolarHBondContact CA-OG1 3.43Å; Y3023-T3026 WeakPolarHBondContact CB-OG1 3.49Å; Y3023-T3026 PolarHBondContact O-N 3.19Å; Y3023-T3026 PolarHBondContact O-OG1 3.11Å; T3026-A3029 PolarHBondContact O-N 3.06Å; T3026-L3030 WeakPolarHBondContact O-CB 3.37Å; T3026-L3030 PolarHBondContact O-N 3.24Å |
| 3027 | M | 71.2 | Confident | 69.7 | Low | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 172.5 | -149 | -174.2 | -83.8 | 0 | 0 | 111.6 | E3014 Y3015 T3019 Y3023 M3024 E3025 A3029 L3030 D3031 C3124 I3125 Q3128 | E3014-M3027 WeakPolarHBondContact O-CE 3.31Å; Y3015-M3027 HydrophobicContact CD1-CE 3.98Å; Y3015-M3027 HydrophobicContact CD1-SD 4.42Å; Y3015-M3027 HydrophobicContact CD2-CE 3.97Å; Y3015-M3027 HydrophobicContact CD2-SD 4.04Å; Y3015-M3027 HydrophobicContact CE1-CE 4.19Å; Y3015-M3027 HydrophobicContact CE1-SD 4.16Å; Y3015-M3027 HydrophobicContact CE2-CE 4.16Å; Y3015-M3027 HydrophobicContact CE2-CG 4.33Å; Y3015-M3027 HydrophobicContact CE2-SD 3.75Å; Y3015-M3027 HydrophobicContact CG-CE 3.9Å; Y3015-M3027 HydrophobicContact CG-SD 4.37Å; T3019-M3027 HydrophobicContact CG2-CE 4.38Å; Y3023-M3027 PolarHBondContact O-N 3.07Å; Y3023-M3027 VanDerWaalsContact O-N 3.07Å; M3024-M3027 PolarHBondContact O-N 3.33Å; E3025-M3027 PolarHBondContact O-N 3.31Å; M3027-A3029 VanDerWaalsContact C-N 3.29Å; M3027-A3029 PolarHBondContact O-N 3.16Å; M3027-L3030 CarbonylContact O-C 3.59Å; M3027-L3030 WeakPolarHBondContact O-CB 3.21Å; M3027-L3030 PolarHBondContact O-N 3.06Å; M3027-L3030 VanDerWaalsContact O-N 3.1Å; M3027-D3031 WeakPolarHBondContact O-CB 2.98Å; M3027-D3031 VanDerWaalsContact O-CG 3.3Å; M3027-D3031 PolarHBondContact O-N 3.13Å; M3027-C3124 HydrophobicContact CE-CB 3.8Å; M3027-C3124 WeakPolarHBondContact CE-SG 3.17Å; M3027-C3124 HydrophobicContact SD-CB 4.01Å; M3027-C3124 PolarHBondContact SD-SG 3.45Å; M3027-I3125 HydrophobicContact CE-CG1 4.34Å; M3027-I3125 HydrophobicContact SD-CG1 4.4Å; M3027-Q3128 HydrophobicContact SD-CG 4.43Å |
| 3028 | K | 71.6 | Confident | 69.6 | Low | 82 Ų | 82 | 76.5 Ų | 76.5 | 36% | 0.357 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.6 | -33.3 | 174.3 | -76.7 | -176.9 | 175.2 | -171.7 | 0 | 113.3 | M3024 E3025 N3032 | M3024-K3028 HydrophobicContact CG-CD 4.25Å; M3024-K3028 HydrophobicContact CG-CG 4.44Å; M3024-K3028 WeakPolarHBondContact O-CB 3.44Å; M3024-K3028 VanDerWaalsContact O-CG 3.31Å; M3024-K3028 WeakPolarHBondContact O-CG 3.39Å; M3024-K3028 PolarHBondContact O-N 2.91Å; E3025-K3028 PolarHBondContact O-N 3.17Å; K3028-N3032 PolarHBondContact O-N 3.04Å; K3028-N3032 PolarHBondContact O-ND2 3.02Å; K3028-N3032 VanDerWaalsContact O-ND2 3.1Å |
| 3029 | A | 70.9 | Confident | 69.7 | Low | 45.3333 Ų | 45.3333 | 73.5 Ų | 73.5 | 38% | 0.375 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.6 | -42.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E3025 T3026 M3027 N3032 Q3033 | E3025-A3029 WeakPolarHBondContact O-CB 3.35Å; E3025-A3029 PolarHBondContact O-N 2.9Å; T3026-A3029 PolarHBondContact O-N 3.06Å; M3027-A3029 VanDerWaalsContact C-N 3.29Å; M3027-A3029 PolarHBondContact O-N 3.16Å; A3029-N3032 PolarHBondContact O-N 3.04Å; A3029-Q3033 WeakPolarHBondContact O-CB 3.09Å; A3029-Q3033 VanDerWaalsContact O-CG 3.32Å; A3029-Q3033 WeakPolarHBondContact O-CG 3.26Å; A3029-Q3033 PolarHBondContact O-N 3.26Å |
| 3030 | L | 69 | Low | 69.9 | Low | 32.6667 Ų | 32.6667 | 73 Ų | 73 | 17% | 0.171 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.2 | -34.3 | 179.9 | -171.4 | 65.5 | 0 | 0 | 0 | 113.1 | P3012 E3014 Y3015 T3026 M3027 N3032 Q3033 I3034 | P3012-L3030 HydrophobicContact CB-CD2 3.66Å; P3012-L3030 HydrophobicContact CG-CD2 4Å; E3014-L3030 HydrophobicContact CB-CD2 3.8Å; E3014-L3030 HydrophobicContact CG-CD2 4.07Å; Y3015-L3030 HydrophobicContact CD2-CD2 3.94Å; Y3015-L3030 HydrophobicContact CE2-CD2 4.11Å; T3026-L3030 WeakPolarHBondContact O-CB 3.37Å; T3026-L3030 PolarHBondContact O-N 3.24Å; M3027-L3030 CarbonylContact O-C 3.59Å; M3027-L3030 WeakPolarHBondContact O-CB 3.21Å; M3027-L3030 PolarHBondContact O-N 3.06Å; M3027-L3030 VanDerWaalsContact O-N 3.1Å; L3030-N3032 VanDerWaalsContact C-N 3.26Å; L3030-N3032 PolarHBondContact O-N 3.15Å; L3030-Q3033 PolarHBondContact O-N 3.04Å; L3030-Q3033 VanDerWaalsContact O-N 3.09Å; L3030-I3034 HydrophobicContact CD1-CD1 3.7Å; L3030-I3034 HydrophobicContact CD1-CG1 3.63Å; L3030-I3034 HydrophobicContact CD2-CD1 3.92Å; L3030-I3034 HydrophobicContact CG-CD1 3.49Å; L3030-I3034 VanDerWaalsContact CG-CD1 3.49Å; L3030-I3034 HydrophobicContact CG-CG1 3.77Å; L3030-I3034 PolarHBondContact O-N 3.37Å |
| 3031 | D | 72 | Confident | 70.3 | Confident | 17.3333 Ų | 17.3333 | 76.4 Ų | 76.4 | 9% | 0.093 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.7 | -28 | 173.8 | -67.4 | -22.6 | 0 | 0 | 0 | 112.5 | Y3015 M3027 Q3128 H3145 I3146 R3149 | Y3015-D3031 PolarHBondContact OH-OD1 3.35Å; M3027-D3031 WeakPolarHBondContact O-CB 2.98Å; M3027-D3031 VanDerWaalsContact O-CG 3.3Å; M3027-D3031 PolarHBondContact O-N 3.13Å; D3031-Q3128 PolarHBondContact OD2-NE2 2.88Å; D3031-H3145 PolarHBondContact O-NE2 3.49Å; D3031-I3146 HydrophobicContact CB-CD1 3.8Å; D3031-I3146 HydrophobicContact CB-CG1 4.41Å; D3031-R3149 IonicContact OD1-NH1 2.72Å |
| 3032 | N | 68.6 | Low | 70.9 | Confident | 138 Ų | 138 | 74.3 Ų | 74.3 | 74% | 0.738 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -9.4 | 175.6 | -70 | -43.2 | 0 | 0 | 0 | 113.4 | K3028 A3029 L3030 | K3028-N3032 PolarHBondContact O-N 3.04Å; K3028-N3032 PolarHBondContact O-ND2 3.02Å; K3028-N3032 VanDerWaalsContact O-ND2 3.1Å; A3029-N3032 PolarHBondContact O-N 3.04Å; L3030-N3032 VanDerWaalsContact C-N 3.26Å; L3030-N3032 PolarHBondContact O-N 3.15Å |
| 3033 | Q | 63.6 | Low | 71.6 | Confident | 123.667 Ų | 123.667 | 66.5 Ų | 66.5 | 58% | 0.578 | 35% | 0.349 | S | S | * | . | trans | -100.4 | 98.2 | -176.2 | -75.3 | -179.5 | 14.6 | 0 | 0 | 112.8 | A3029 L3030 S3035 | A3029-Q3033 WeakPolarHBondContact O-CB 3.09Å; A3029-Q3033 VanDerWaalsContact O-CG 3.32Å; A3029-Q3033 WeakPolarHBondContact O-CG 3.26Å; A3029-Q3033 PolarHBondContact O-N 3.26Å; L3030-Q3033 PolarHBondContact O-N 3.04Å; L3030-Q3033 VanDerWaalsContact O-N 3.09Å; Q3033-S3035 PolarHBondContact O-N 3.31Å; Q3033-S3035 VanDerWaalsContact O-N 3.09Å | ||
| 3034 | I | 56.9 | Low | 72.3 | Confident | 107.333 Ų | 107.333 | 62 Ų | 62 | 55% | 0.55 | 33% | 0.333 | S | S | * | . | trans | -72.2 | 37.9 | -174.2 | -65.7 | 170.5 | 0 | 0 | 0 | 112.3 | P3012 L3030 Y3036 | P3012-I3034 HydrophobicContact CB-CD1 4.14Å; P3012-I3034 HydrophobicContact CG-CD1 3.43Å; P3012-I3034 VanDerWaalsContact CG-CD1 3.43Å; L3030-I3034 HydrophobicContact CD1-CD1 3.7Å; L3030-I3034 HydrophobicContact CD1-CG1 3.63Å; L3030-I3034 HydrophobicContact CD2-CD1 3.92Å; L3030-I3034 HydrophobicContact CG-CD1 3.49Å; L3030-I3034 VanDerWaalsContact CG-CD1 3.49Å; L3030-I3034 HydrophobicContact CG-CG1 3.77Å; L3030-I3034 PolarHBondContact O-N 3.37Å; I3034-Y3036 HydrophobicContact CB-CE2 4.48Å; I3034-Y3036 HydrophobicContact CG2-CD2 4.49Å; I3034-Y3036 HydrophobicContact CG2-CE2 4.17Å; I3034-Y3036 VanDerWaalsContact O-CD2 3.24Å; I3034-Y3036 WeakPolarHBondContact O-CD2 3.25Å; I3034-Y3036 PolarHBondContact O-N 3.21Å | ||
| 3035 | S | 59.9 | Low | 73 | Confident | 104 Ų | 104 | 64.4 Ų | 64.4 | 73% | 0.727 | 35% | 0.347 | S | S | * | . | trans | -75.1 | 81.8 | 174.5 | -50.6 | 0 | 0 | 0 | 0 | 111.5 | Q3033 S3037 | Q3033-S3035 PolarHBondContact O-N 3.31Å; Q3033-S3035 VanDerWaalsContact O-N 3.09Å; S3035-S3037 PolarHBondContact O-N 2.93Å | ||
| 3036 | Y | 66.4 | Low | 73.7 | Confident | 54 Ų | 54 | 57.3 Ų | 57.3 | 21% | 0.212 | 31% | 0.314 | C | S | . | . | trans | -71.4 | 137.9 | 174.9 | -50.2 | -76.8 | 0 | 0 | 0 | 111.8 | I3034 E3040 K3041 Q3044 H3145 | I3034-Y3036 HydrophobicContact CB-CE2 4.48Å; I3034-Y3036 HydrophobicContact CG2-CD2 4.49Å; I3034-Y3036 HydrophobicContact CG2-CE2 4.17Å; I3034-Y3036 VanDerWaalsContact O-CD2 3.24Å; I3034-Y3036 WeakPolarHBondContact O-CD2 3.25Å; I3034-Y3036 PolarHBondContact O-N 3.21Å; Y3036-E3040 VanDerWaalsContact CA-OE2 3.3Å; Y3036-E3040 WeakPolarHBondContact CA-OE2 3.29Å; Y3036-K3041 HydrophobicContact CG-CG 4.5Å; Y3036-K3041 VanDerWaalsContact O-CE 3.3Å; Y3036-K3041 WeakPolarHBondContact O-CE 3.3Å; Y3036-Q3044 VanDerWaalsContact CD1-NE2 3.31Å; Y3036-H3145 HydrophobicContact CE1-CB 3.86Å; Y3036-H3145 AromaticContact CE1-CD2 3.83Å; Y3036-H3145 AromaticContact CE1-CG 3.83Å; Y3036-H3145 AromaticContact CZ-CD2 3.93Å; Y3036-H3145 AromaticContact CZ-CG 3.99Å; Y3036-H3145 PolarHBondContact OH-CD2 2.96Å; Y3036-H3145 PolarHBondContact OH-CE1 3.02Å; Y3036-H3145 PolarHBondContact OH-ND1 3.09Å; Y3036-H3145 PolarHBondContact OH-NE2 2.77Å | ||
| 3037 | S | 71 | Confident | 74.4 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 21% | 0.21 | 29% | 0.292 | C | S | . | . | trans | -64 | 160.2 | 170.2 | 72.4 | 0 | 0 | 0 | 0 | 111.1 | S3035 S3039 E3040 K3041 | S3035-S3037 PolarHBondContact O-N 2.93Å; S3037-S3039 VanDerWaalsContact C-N 3.27Å; S3037-S3039 PolarHBondContact O-N 3.39Å; S3037-S3039 PolarHBondContact OG-OG 3.29Å; S3037-S3039 VanDerWaalsContact OG-OG 3.1Å; S3037-E3040 PolarHBondContact N-OE2 3.19Å; S3037-E3040 VanDerWaalsContact N-OE2 3.11Å; S3037-E3040 PolarHBondContact O-N 3.09Å; S3037-E3040 VanDerWaalsContact O-N 3.1Å; S3037-E3040 WeakPolarHBondContact OG-CB 3.27Å; S3037-E3040 VanDerWaalsContact OG-CG 3.32Å; S3037-E3040 WeakPolarHBondContact OG-CG 3.19Å; S3037-E3040 PolarHBondContact OG-N 2.91Å; S3037-E3040 VanDerWaalsContact OG-N 3.11Å; S3037-K3041 WeakPolarHBondContact O-CG 3.41Å; S3037-K3041 PolarHBondContact O-N 3.21Å | ||
| 3038 | S | 75.1 | Confident | 75 | Confident | 79.6667 Ų | 79.6667 | 60.4 Ų | 60.4 | 56% | 0.557 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.3 | -40.5 | 177.8 | -165.9 | 0 | 0 | 0 | 0 | 111.5 | E3040 K3041 D3042 | S3038-E3040 PolarHBondContact O-N 3.04Å; S3038-K3041 WeakPolarHBondContact O-CB 3.43Å; S3038-K3041 PolarHBondContact O-N 3Å; S3038-K3041 VanDerWaalsContact O-N 3.14Å; S3038-D3042 WeakPolarHBondContact O-CB 2.83Å; S3038-D3042 PolarHBondContact O-N 3.39Å; S3038-D3042 VanDerWaalsContact O-OD2 3.13Å |
| 3039 | S | 78.2 | Confident | 75.4 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 10% | 0.098 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66 | -37.6 | 176.8 | 44.5 | 0 | 0 | 0 | 0 | 112.8 | N3010 S3037 K3041 D3042 L3043 | N3010-S3039 PolarHBondContact ND2-OG 2.9Å; S3037-S3039 VanDerWaalsContact C-N 3.27Å; S3037-S3039 PolarHBondContact O-N 3.39Å; S3037-S3039 PolarHBondContact OG-OG 3.29Å; S3037-S3039 VanDerWaalsContact OG-OG 3.1Å; S3039-K3041 VanDerWaalsContact C-N 3.34Å; S3039-K3041 PolarHBondContact O-N 3.4Å; S3039-D3042 PolarHBondContact O-N 3.16Å; S3039-L3043 VanDerWaalsContact O-CB 3.32Å; S3039-L3043 WeakPolarHBondContact O-CB 3.49Å; S3039-L3043 PolarHBondContact O-N 3.15Å |
| 3040 | E | 78.7 | Confident | 75.8 | Confident | 10.3333 Ų | 10.3333 | 60.6 Ų | 60.6 | 5% | 0.048 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 171.9 | -79.4 | -171.9 | 144.1 | 0 | 0 | 112.2 | Y3036 S3037 S3038 L3043 Q3044 R3149 | Y3036-E3040 VanDerWaalsContact CA-OE2 3.3Å; Y3036-E3040 WeakPolarHBondContact CA-OE2 3.29Å; S3037-E3040 PolarHBondContact N-OE2 3.19Å; S3037-E3040 VanDerWaalsContact N-OE2 3.11Å; S3037-E3040 PolarHBondContact O-N 3.09Å; S3037-E3040 VanDerWaalsContact O-N 3.1Å; S3037-E3040 WeakPolarHBondContact OG-CB 3.27Å; S3037-E3040 VanDerWaalsContact OG-CG 3.32Å; S3037-E3040 WeakPolarHBondContact OG-CG 3.19Å; S3037-E3040 PolarHBondContact OG-N 2.91Å; S3037-E3040 VanDerWaalsContact OG-N 3.11Å; S3038-E3040 PolarHBondContact O-N 3.04Å; E3040-L3043 PolarHBondContact O-N 3.27Å; E3040-Q3044 WeakPolarHBondContact O-CB 3.39Å; E3040-Q3044 WeakPolarHBondContact O-CG 3.25Å; E3040-Q3044 PolarHBondContact O-N 3.28Å; E3040-Q3044 PolarHBondContact O-NE2 2.91Å; E3040-R3149 WeakPolarHBondContact OE1-CG 3.5Å; E3040-R3149 IonicContact OE1-CZ 3.29Å; E3040-R3149 VanDerWaalsContact OE1-CZ 3.31Å; E3040-R3149 IonicContact OE1-NE 3.24Å; E3040-R3149 PolarHBondContact OE1-NE 3.1Å; E3040-R3149 IonicContact OE1-NH2 3.15Å; E3040-R3149 PolarHBondContact OE1-NH2 3.22Å; E3040-R3149 IonicContact OE2-CZ 3.7Å; E3040-R3149 IonicContact OE2-NE 3.15Å; E3040-R3149 IonicContact OE2-NH2 3.36Å; E3040-R3149 PolarHBondContact OE2-NH2 3.3Å |
| 3041 | K | 80.9 | Confident | 75.9 | Confident | 104.333 Ų | 104.333 | 63.8 Ų | 63.8 | 45% | 0.454 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66 | -43.2 | 175.6 | -66.3 | 176.6 | -174.2 | 175.3 | 0 | 111.2 | Y3036 S3037 S3038 S3039 L3043 Q3044 N3045 | Y3036-K3041 HydrophobicContact CG-CG 4.5Å; Y3036-K3041 VanDerWaalsContact O-CE 3.3Å; Y3036-K3041 WeakPolarHBondContact O-CE 3.3Å; S3037-K3041 WeakPolarHBondContact O-CG 3.41Å; S3037-K3041 PolarHBondContact O-N 3.21Å; S3038-K3041 WeakPolarHBondContact O-CB 3.43Å; S3038-K3041 PolarHBondContact O-N 3Å; S3038-K3041 VanDerWaalsContact O-N 3.14Å; S3039-K3041 VanDerWaalsContact C-N 3.34Å; S3039-K3041 PolarHBondContact O-N 3.4Å; K3041-L3043 PolarHBondContact O-N 3.1Å; K3041-Q3044 PolarHBondContact O-N 2.96Å; K3041-N3045 WeakPolarHBondContact O-CB 3.38Å; K3041-N3045 VanDerWaalsContact O-CG 3.26Å; K3041-N3045 PolarHBondContact O-N 3.11Å; K3041-N3045 PolarHBondContact O-ND2 2.99Å |
| 3042 | D | 83.4 | Confident | 76.2 | Confident | 49.3333 Ų | 49.3333 | 64.8 Ų | 64.8 | 26% | 0.264 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 176 | -67.6 | -24.7 | 0 | 0 | 0 | 111 | R2992 F3003 S3038 S3039 N3045 M3046 | R2992-D3042 IonicContact CZ-OD2 2.75Å; R2992-D3042 IonicContact NH1-OD2 3.15Å; R2992-D3042 PolarHBondContact NH1-OD2 3.26Å; F3003-D3042 HydrophobicContact CE2-CB 3.89Å; F3003-D3042 HydrophobicContact CZ-CB 3.65Å; S3038-D3042 WeakPolarHBondContact O-CB 2.83Å; S3038-D3042 PolarHBondContact O-N 3.39Å; S3038-D3042 VanDerWaalsContact O-OD2 3.13Å; S3039-D3042 PolarHBondContact O-N 3.16Å; D3042-N3045 WeakPolarHBondContact O-CB 3.36Å; D3042-N3045 PolarHBondContact O-N 3Å; D3042-M3046 WeakPolarHBondContact O-CG 3.37Å; D3042-M3046 PolarHBondContact O-N 3.29Å |
| 3043 | L | 85.9 | Confident | 76.8 | Confident | 2.33333 Ų | 2.33333 | 64.8 Ų | 64.8 | 1% | 0.012 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.4 | -43.3 | 178.8 | -178.6 | 66.7 | 0 | 0 | 0 | 112.1 | L2967 F3003 L3004 C3007 S3039 E3040 K3041 N3045 M3046 F3047 L3148 L3152 | L2967-L3043 HydrophobicContact CD1-CD1 3.71Å; L2967-L3043 HydrophobicContact CD2-CD1 3.94Å; F3003-L3043 HydrophobicContact CE1-CB 3.98Å; F3003-L3043 HydrophobicContact CE1-CD1 3.92Å; F3003-L3043 HydrophobicContact CZ-CB 4Å; L3004-L3043 HydrophobicContact CD2-CD1 3.91Å; C3007-L3043 HydrophobicContact CB-CD2 4.22Å; S3039-L3043 VanDerWaalsContact O-CB 3.32Å; S3039-L3043 WeakPolarHBondContact O-CB 3.49Å; S3039-L3043 PolarHBondContact O-N 3.15Å; E3040-L3043 PolarHBondContact O-N 3.27Å; K3041-L3043 PolarHBondContact O-N 3.1Å; L3043-N3045 VanDerWaalsContact C-N 3.31Å; L3043-N3045 PolarHBondContact O-N 3.16Å; L3043-M3046 PolarHBondContact O-N 3.08Å; L3043-F3047 PolarHBondContact O-N 3.22Å; L3043-L3148 HydrophobicContact CD2-CB 4.31Å; L3043-L3148 HydrophobicContact CD2-CD2 4.29Å; L3043-L3148 HydrophobicContact CG-CD1 4.26Å; L3043-L3148 HydrophobicContact CG-CD2 4.24Å; L3043-L3152 HydrophobicContact CD2-CD1 3.8Å; L3043-L3152 HydrophobicContact CD2-CD2 4.3Å; L3043-L3152 HydrophobicContact CD2-CG 4.38Å |
| 3044 | Q | 84.7 | Confident | 77.8 | Confident | 41.3333 Ų | 41.3333 | 63.7 Ų | 63.7 | 19% | 0.193 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 172.4 | -75.1 | 172.1 | 56 | 0 | 0 | 111.2 | Y3036 E3040 K3041 F3047 K3048 H3145 L3148 | Y3036-Q3044 VanDerWaalsContact CD1-NE2 3.31Å; E3040-Q3044 WeakPolarHBondContact O-CB 3.39Å; E3040-Q3044 WeakPolarHBondContact O-CG 3.25Å; E3040-Q3044 PolarHBondContact O-N 3.28Å; E3040-Q3044 PolarHBondContact O-NE2 2.91Å; K3041-Q3044 PolarHBondContact O-N 2.96Å; Q3044-F3047 PolarHBondContact O-N 2.97Å; Q3044-K3048 WeakPolarHBondContact O-CB 3.26Å; Q3044-K3048 PolarHBondContact O-N 3.08Å; Q3044-H3145 VanDerWaalsContact CD-CB 3.46Å; Q3044-H3145 HydrophobicContact CG-CB 4.12Å; Q3044-L3148 HydrophobicContact CB-CD1 4.48Å; Q3044-L3148 HydrophobicContact CG-CD1 3.97Å |
| 3045 | N | 83.4 | Confident | 79.1 | Confident | 78 Ų | 78 | 61 Ų | 61 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 175.1 | -77.4 | -31.9 | 0 | 0 | 0 | 111.7 | K3041 D3042 L3043 F3047 K3048 H3049 | K3041-N3045 WeakPolarHBondContact O-CB 3.38Å; K3041-N3045 VanDerWaalsContact O-CG 3.26Å; K3041-N3045 PolarHBondContact O-N 3.11Å; K3041-N3045 PolarHBondContact O-ND2 2.99Å; D3042-N3045 WeakPolarHBondContact O-CB 3.36Å; D3042-N3045 PolarHBondContact O-N 3Å; L3043-N3045 VanDerWaalsContact C-N 3.31Å; L3043-N3045 PolarHBondContact O-N 3.16Å; N3045-F3047 VanDerWaalsContact C-N 3.33Å; N3045-F3047 PolarHBondContact O-N 2.99Å; N3045-K3048 PolarHBondContact O-N 2.96Å; N3045-H3049 PolarHBondContact O-N 3.23Å; N3045-H3049 VanDerWaalsContact O-N 3.09Å; N3045-H3049 PolarHBondContact O-ND1 3.27Å |
| 3046 | M | 83.8 | Confident | 80.3 | Confident | 16 Ų | 16 | 57.6 Ų | 57.6 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 175.3 | -72.6 | -178.7 | 72.5 | 0 | 0 | 112.3 | L2967 T2970 A2971 F2994 L3000 F3003 D3042 L3043 K3048 H3049 C3050 | L2967-M3046 HydrophobicContact CB-CE 4.47Å; L2967-M3046 HydrophobicContact CD2-CB 3.83Å; T2970-M3046 WeakPolarHBondContact CB-O 3.32Å; T2970-M3046 HydrophobicContact CG2-CB 4.49Å; T2970-M3046 WeakPolarHBondContact CG2-O 3.33Å; T2970-M3046 PolarHBondContact OG1-O 3.35Å; A2971-M3046 HydrophobicContact CB-CE 4.31Å; F2994-M3046 HydrophobicContact CD2-CE 4.02Å; F2994-M3046 HydrophobicContact CD2-SD 4.31Å; F2994-M3046 HydrophobicContact CE2-CE 3.83Å; F2994-M3046 HydrophobicContact CE2-SD 3.54Å; F2994-M3046 VanDerWaalsContact CE2-SD 3.54Å; F2994-M3046 HydrophobicContact CZ-CE 4.36Å; F2994-M3046 HydrophobicContact CZ-SD 3.91Å; L3000-M3046 HydrophobicContact CD1-CE 3.95Å; F3003-M3046 HydrophobicContact CD1-SD 4.27Å; F3003-M3046 HydrophobicContact CE1-SD 3.78Å; F3003-M3046 HydrophobicContact CZ-SD 4.34Å; D3042-M3046 WeakPolarHBondContact O-CG 3.37Å; D3042-M3046 PolarHBondContact O-N 3.29Å; L3043-M3046 PolarHBondContact O-N 3.08Å; M3046-K3048 VanDerWaalsContact C-N 3.35Å; M3046-K3048 PolarHBondContact O-N 3.06Å; M3046-H3049 CarbonylContact O-C 3.58Å; M3046-H3049 PolarHBondContact O-N 3.36Å; M3046-C3050 PolarHBondContact O-N 3.36Å |
| 3047 | F | 86.8 | Confident | 81.2 | Confident | 0.333333 Ų | 0.333333 | 56.2 Ų | 56.2 | 0% | 0.001 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73.4 | -31 | 177.9 | -168.2 | -116.9 | 0 | 0 | 0 | 113 | L2963 S2966 L2967 L3043 Q3044 N3045 C3050 K3056 T3059 R3060 D3144 L3147 L3148 | L2963-F3047 HydrophobicContact CD1-CD2 3.49Å; L2963-F3047 VanDerWaalsContact CD1-CD2 3.44Å; L2963-F3047 HydrophobicContact CD1-CE2 3.58Å; L2963-F3047 HydrophobicContact CD1-CG 4.39Å; L2963-F3047 HydrophobicContact CD1-CZ 4.46Å; S2966-F3047 WeakPolarHBondContact OG-CD2 3.39Å; S2966-F3047 WeakPolarHBondContact OG-CE2 3.24Å; L2967-F3047 HydrophobicContact CD2-CB 4.19Å; L2967-F3047 HydrophobicContact CD2-CD2 4.47Å; L3043-F3047 PolarHBondContact O-N 3.22Å; Q3044-F3047 PolarHBondContact O-N 2.97Å; N3045-F3047 VanDerWaalsContact C-N 3.33Å; N3045-F3047 PolarHBondContact O-N 2.99Å; F3047-C3050 WeakPolarHBondContact O-CB 3.31Å; F3047-K3056 HydrophobicContact CD1-CG 4.49Å; F3047-K3056 HydrophobicContact CE1-CD 4.42Å; F3047-K3056 VanDerWaalsContact CE1-CE 3.49Å; F3047-K3056 HydrophobicContact CE1-CG 3.96Å; F3047-K3056 HydrophobicContact CE2-CG 3.96Å; F3047-K3056 HydrophobicContact CZ-CG 3.64Å; F3047-K3056 WeakPolarHBondContact O-CD 3.45Å; F3047-K3056 VanDerWaalsContact O-CE 3.23Å; F3047-K3056 WeakPolarHBondContact O-CE 3.37Å; F3047-T3059 HydrophobicContact CE2-CG2 3.74Å; F3047-T3059 HydrophobicContact CZ-CG2 4.06Å; F3047-R3060 HydrophobicContact CE1-CG 4.13Å; F3047-R3060 HydrophobicContact CZ-CG 3.98Å; F3047-D3144 HydrophobicContact CD1-CB 4.08Å; F3047-D3144 HydrophobicContact CE1-CB 4.41Å; F3047-D3144 WeakPolarHBondContact CE1-OD1 3.33Å; F3047-L3147 HydrophobicContact CE1-CD2 4.37Å; F3047-L3147 HydrophobicContact CZ-CD2 4.45Å; F3047-L3148 HydrophobicContact CB-CD1 3.95Å; F3047-L3148 HydrophobicContact CB-CD2 4.32Å; F3047-L3148 HydrophobicContact CD1-CD1 4.25Å; F3047-L3148 HydrophobicContact CD1-CD2 4.46Å; F3047-L3148 HydrophobicContact CD1-CG 4.43Å; F3047-L3148 HydrophobicContact CG-CD1 4.32Å; F3047-L3148 HydrophobicContact CG-CD2 4.23Å |
| 3048 | K | 83.4 | Confident | 81.9 | Confident | 139 Ų | 139 | 61.1 Ų | 61.1 | 60% | 0.604 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -67.2 | -38.9 | 175.3 | -174.2 | -178.7 | 177.4 | -171.4 | 0 | 112.2 | Q3044 N3045 M3046 C3050 | Q3044-K3048 WeakPolarHBondContact O-CB 3.26Å; Q3044-K3048 PolarHBondContact O-N 3.08Å; N3045-K3048 PolarHBondContact O-N 2.96Å; M3046-K3048 VanDerWaalsContact C-N 3.35Å; M3046-K3048 PolarHBondContact O-N 3.06Å; K3048-C3050 VanDerWaalsContact C-N 3.35Å |
| 3049 | H | 80.2 | Confident | 82.5 | Confident | 118.333 Ų | 118.333 | 57.6 Ų | 57.6 | 55% | 0.548 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 25.7 | -179.8 | -55.9 | 92.3 | 0 | 0 | 0 | 113.3 | T2970 N3045 M3046 Q3051 | T2970-H3049 HydrophobicContact CG2-CB 3.93Å; T2970-H3049 WeakPolarHBondContact CG2-O 3.35Å; T2970-H3049 PolarHBondContact OG1-O 3.28Å; N3045-H3049 PolarHBondContact O-N 3.23Å; N3045-H3049 VanDerWaalsContact O-N 3.09Å; N3045-H3049 PolarHBondContact O-ND1 3.27Å; M3046-H3049 CarbonylContact O-C 3.58Å; M3046-H3049 PolarHBondContact O-N 3.36Å; H3049-Q3051 PolarHBondContact O-N 3.32Å |
| 3050 | C | 80 | Confident | 83 | Confident | 11.6667 Ų | 11.6667 | 58.1 Ų | 58.1 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | trans | -59.5 | 126.2 | 171.4 | -176.7 | 0 | 0 | 0 | 0 | 110 | S2966 T2970 M3046 F3047 K3048 S3052 K3056 | S2966-C3050 PolarHBondContact O-SG 3.07Å; S2966-C3050 PolarHBondContact OG-SG 2.75Å; T2970-C3050 VanDerWaalsContact OG1-CA 3.29Å; T2970-C3050 WeakPolarHBondContact OG1-CA 3.39Å; T2970-C3050 PolarHBondContact OG1-N 3.21Å; M3046-C3050 PolarHBondContact O-N 3.36Å; F3047-C3050 WeakPolarHBondContact O-CB 3.31Å; K3048-C3050 VanDerWaalsContact C-N 3.35Å; C3050-S3052 PolarHBondContact O-N 3.25Å; C3050-S3052 PolarHBondContact SG-O 3.39Å; C3050-S3052 VanDerWaalsContact SG-O 3.38Å; C3050-K3056 HydrophobicContact CB-CB 4.25Å; C3050-K3056 HydrophobicContact CB-CD 4.49Å; C3050-K3056 HydrophobicContact CB-CG 4.29Å | ||
| 3051 | Q | 71.7 | Confident | 83.4 | Confident | 100 Ų | 100 | 58.6 Ų | 58.6 | 47% | 0.467 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -57.6 | -24.9 | -170.6 | -57.6 | -176.5 | 27 | 0 | 0 | 114.8 | S2969 N2973 H3049 | S2969-Q3051 WeakPolarHBondContact O-CG 3.41Å; S2969-Q3051 PolarHBondContact O-NE2 3.21Å; S2969-Q3051 WeakPolarHBondContact OG-CB 3.46Å; S2969-Q3051 VanDerWaalsContact OG-CG 3.29Å; S2969-Q3051 WeakPolarHBondContact OG-CG 3.41Å; S2969-Q3051 PolarHBondContact OG-N 2.78Å; S2969-Q3051 PolarHBondContact OG-NE2 2.93Å; N2973-Q3051 HydrophobicContact CB-CG 4.21Å; N2973-Q3051 VanDerWaalsContact CG-NE2 3.31Å; N2973-Q3051 PolarHBondContact ND2-OE1 3.3Å; N2973-Q3051 PolarHBondContact OD1-NE2 3.15Å; N2973-Q3051 VanDerWaalsContact OD1-NE2 3.12Å; N2973-Q3051 PolarHBondContact OD1-OE1 3.45Å; H3049-Q3051 PolarHBondContact O-N 3.32Å |
| 3052 | S | 78.5 | Confident | 83.7 | Confident | 39 Ų | 39 | 54.6 Ų | 54.6 | 27% | 0.273 | 28% | 0.283 | S | S | . | . | trans | -130.1 | 118.4 | -173.3 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | C3050 T3054 L3055 K3056 | C3050-S3052 PolarHBondContact O-N 3.25Å; C3050-S3052 PolarHBondContact SG-O 3.39Å; C3050-S3052 VanDerWaalsContact SG-O 3.38Å; S3052-T3054 PolarHBondContact O-N 2.97Å; S3052-T3054 VanDerWaalsContact O-N 3.12Å; S3052-T3054 PolarHBondContact OG-N 3.1Å; S3052-T3054 PolarHBondContact OG-OG1 3.29Å; S3052-L3055 WeakPolarHBondContact O-CA 3.37Å; S3052-L3055 WeakPolarHBondContact O-CB 3.24Å; S3052-L3055 PolarHBondContact O-N 2.99Å; S3052-L3055 PolarHBondContact OG-N 2.87Å; S3052-K3056 PolarHBondContact O-N 3.34Å | ||
| 3053 | D | 80.5 | Confident | 84 | Confident | 137.667 Ų | 137.667 | 52.4 Ų | 52.4 | 74% | 0.736 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -57.9 | -28 | 170.2 | -71 | -52.6 | 0 | 0 | 0 | 112.2 | L3055 K3056 G3057 | D3053-L3055 VanDerWaalsContact C-N 3.34Å; D3053-K3056 PolarHBondContact O-N 2.75Å; D3053-G3057 WeakPolarHBondContact O-CA 3.42Å; D3053-G3057 PolarHBondContact O-N 3.11Å |
| 3054 | T | 83.4 | Confident | 84 | Confident | 101.333 Ų | 101.333 | 52.4 Ų | 52.4 | 62% | 0.622 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -69 | -34.9 | 175 | 77.5 | 0 | 0 | 0 | 0 | 111.9 | S3052 K3058 | S3052-T3054 PolarHBondContact O-N 2.97Å; S3052-T3054 VanDerWaalsContact O-N 3.12Å; S3052-T3054 PolarHBondContact OG-N 3.1Å; S3052-T3054 PolarHBondContact OG-OG1 3.29Å; T3054-K3058 WeakPolarHBondContact O-CB 3.25Å; T3054-K3058 WeakPolarHBondContact O-CD 3.37Å; T3054-K3058 WeakPolarHBondContact O-CE 3.3Å; T3054-K3058 WeakPolarHBondContact O-CG 3.37Å; T3054-K3058 PolarHBondContact O-N 3.02Å; T3054-K3058 PolarHBondContact OG1-NZ 2.94Å |
| 3055 | L | 84.9 | Confident | 83.9 | Confident | 49.3333 Ų | 49.3333 | 52.2 Ų | 52.2 | 26% | 0.258 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -73.9 | -47.5 | 173.6 | -98.4 | 147.7 | 0 | 0 | 0 | 110.7 | R2965 S2966 S3052 D3053 G3057 K3058 T3059 | R2965-L3055 HydrophobicContact CB-CD1 4.04Å; R2965-L3055 HydrophobicContact CB-CD2 4.4Å; S2966-L3055 PolarHBondContact OG-O 3.41Å; S3052-L3055 WeakPolarHBondContact O-CA 3.37Å; S3052-L3055 WeakPolarHBondContact O-CB 3.24Å; S3052-L3055 PolarHBondContact O-N 2.99Å; S3052-L3055 PolarHBondContact OG-N 2.87Å; D3053-L3055 VanDerWaalsContact C-N 3.34Å; L3055-G3057 VanDerWaalsContact C-N 3.29Å; L3055-G3057 PolarHBondContact O-N 3.2Å; L3055-K3058 PolarHBondContact O-N 3.19Å; L3055-T3059 WeakPolarHBondContact O-CB 3.47Å; L3055-T3059 PolarHBondContact O-N 3.33Å; L3055-T3059 PolarHBondContact O-OG1 3.24Å; L3055-T3059 VanDerWaalsContact O-OG1 3.07Å |
| 3056 | K | 86.2 | Confident | 84.1 | Confident | 33.3333 Ų | 33.3333 | 48.8 Ų | 48.8 | 15% | 0.145 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 177 | -165.6 | -175.9 | -178.3 | -173 | 0 | 111.4 | F3047 C3050 S3052 D3053 T3059 R3060 D3144 | F3047-K3056 HydrophobicContact CD1-CG 4.49Å; F3047-K3056 HydrophobicContact CE1-CD 4.42Å; F3047-K3056 VanDerWaalsContact CE1-CE 3.49Å; F3047-K3056 HydrophobicContact CE1-CG 3.96Å; F3047-K3056 HydrophobicContact CE2-CG 3.96Å; F3047-K3056 HydrophobicContact CZ-CG 3.64Å; F3047-K3056 WeakPolarHBondContact O-CD 3.45Å; F3047-K3056 VanDerWaalsContact O-CE 3.23Å; F3047-K3056 WeakPolarHBondContact O-CE 3.37Å; C3050-K3056 HydrophobicContact CB-CB 4.25Å; C3050-K3056 HydrophobicContact CB-CD 4.49Å; C3050-K3056 HydrophobicContact CB-CG 4.29Å; S3052-K3056 PolarHBondContact O-N 3.34Å; D3053-K3056 PolarHBondContact O-N 2.75Å; K3056-T3059 PolarHBondContact O-N 3.09Å; K3056-R3060 WeakPolarHBondContact O-CG 3.25Å; K3056-R3060 PolarHBondContact O-N 2.95Å; K3056-D3144 VanDerWaalsContact CE-OD2 3.24Å; K3056-D3144 WeakPolarHBondContact CE-OD2 3.27Å; K3056-D3144 IonicContact NZ-OD2 3.59Å; K3056-D3144 PolarHBondContact NZ-OD2 3.44Å |
| 3057 | G | 84.9 | Confident | 84.4 | Confident | 24 Ų | 24 | 48 Ų | 48 | 25% | 0.247 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D3053 L3055 T3059 R3060 S3061 | D3053-G3057 WeakPolarHBondContact O-CA 3.42Å; D3053-G3057 PolarHBondContact O-N 3.11Å; L3055-G3057 VanDerWaalsContact C-N 3.29Å; L3055-G3057 PolarHBondContact O-N 3.2Å; G3057-T3059 VanDerWaalsContact C-N 3.33Å; G3057-T3059 PolarHBondContact O-N 2.96Å; G3057-R3060 PolarHBondContact O-N 3.04Å; G3057-S3061 WeakPolarHBondContact O-CB 3.29Å; G3057-S3061 PolarHBondContact O-N 3.08Å; G3057-S3061 PolarHBondContact O-OG 3.05Å; G3057-S3061 VanDerWaalsContact O-OG 3.12Å |
| 3058 | K | 85.4 | Confident | 84.5 | Confident | 134 Ų | 134 | 48 Ų | 48 | 58% | 0.583 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.9 | -39.9 | 174.1 | -147 | 165.1 | -170.4 | 161 | 0 | 112.1 | T3054 L3055 S3062 | T3054-K3058 WeakPolarHBondContact O-CB 3.25Å; T3054-K3058 WeakPolarHBondContact O-CD 3.37Å; T3054-K3058 WeakPolarHBondContact O-CE 3.3Å; T3054-K3058 WeakPolarHBondContact O-CG 3.37Å; T3054-K3058 PolarHBondContact O-N 3.02Å; T3054-K3058 PolarHBondContact OG1-NZ 2.94Å; L3055-K3058 PolarHBondContact O-N 3.19Å; K3058-S3062 VanDerWaalsContact O-CB 3.3Å; K3058-S3062 WeakPolarHBondContact O-CB 3.36Å; K3058-S3062 PolarHBondContact O-N 3.05Å |
| 3059 | T | 88.4 | Confident | 84.8 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.9 | -44.8 | 175.3 | -58.8 | 0 | 0 | 0 | 0 | 112 | S2962 L2963 S2966 F3047 L3055 K3056 G3057 S3061 S3062 M3063 F3151 | S2962-T3059 WeakPolarHBondContact CB-OG1 3.34Å; S2962-T3059 PolarHBondContact O-OG1 3.15Å; S2962-T3059 WeakPolarHBondContact OG-CA 3.46Å; S2962-T3059 PolarHBondContact OG-OG1 2.94Å; L2963-T3059 HydrophobicContact CB-CG2 3.95Å; L2963-T3059 HydrophobicContact CD1-CG2 3.86Å; L2963-T3059 HydrophobicContact CG-CG2 4.37Å; S2966-T3059 WeakPolarHBondContact CB-OG1 3.3Å; S2966-T3059 WeakPolarHBondContact OG-CB 3.24Å; S2966-T3059 PolarHBondContact OG-OG1 3.32Å; F3047-T3059 HydrophobicContact CE2-CG2 3.74Å; F3047-T3059 HydrophobicContact CZ-CG2 4.06Å; L3055-T3059 WeakPolarHBondContact O-CB 3.47Å; L3055-T3059 PolarHBondContact O-N 3.33Å; L3055-T3059 PolarHBondContact O-OG1 3.24Å; L3055-T3059 VanDerWaalsContact O-OG1 3.07Å; K3056-T3059 PolarHBondContact O-N 3.09Å; G3057-T3059 VanDerWaalsContact C-N 3.33Å; G3057-T3059 PolarHBondContact O-N 2.96Å; T3059-S3061 VanDerWaalsContact C-N 3.31Å; T3059-S3061 PolarHBondContact O-N 3.01Å; T3059-S3062 PolarHBondContact O-N 3.07Å; T3059-M3063 PolarHBondContact O-N 2.94Å; T3059-M3063 VanDerWaalsContact O-N 3.16Å; T3059-F3151 HydrophobicContact CG2-CE1 4.39Å; T3059-F3151 HydrophobicContact CG2-CE2 3.91Å; T3059-F3151 HydrophobicContact CG2-CZ 3.45Å; T3059-F3151 VanDerWaalsContact CG2-CZ 3.45Å |
| 3060 | R | 88.9 | Confident | 85.3 | Confident | 26.3333 Ų | 26.3333 | 35.8 Ų | 35.8 | 10% | 0.099 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.9 | -50.2 | 172.9 | -73.3 | -177.2 | 58.4 | 80.3 | 1.1 | 111.1 | F3047 K3056 G3057 S3062 M3063 V3064 V3138 G3141 P3142 D3144 L3147 | F3047-R3060 HydrophobicContact CE1-CG 4.13Å; F3047-R3060 HydrophobicContact CZ-CG 3.98Å; K3056-R3060 WeakPolarHBondContact O-CG 3.25Å; K3056-R3060 PolarHBondContact O-N 2.95Å; G3057-R3060 PolarHBondContact O-N 3.04Å; R3060-S3062 PolarHBondContact O-N 3.16Å; R3060-M3063 PolarHBondContact O-N 3.01Å; R3060-V3064 WeakPolarHBondContact O-CB 3.3Å; R3060-V3064 VanDerWaalsContact O-CG2 3.27Å; R3060-V3064 WeakPolarHBondContact O-CG2 3.4Å; R3060-V3064 PolarHBondContact O-N 2.97Å; R3060-V3138 HydrophobicContact CB-CG1 3.8Å; R3060-V3138 PolarHBondContact NE-O 3.2Å; R3060-V3138 VanDerWaalsContact NE-O 3.11Å; R3060-V3138 PolarHBondContact NH2-O 3.06Å; R3060-G3141 VanDerWaalsContact NH2-CA 3.31Å; R3060-G3141 PolarHBondContact NH2-O 3.2Å; R3060-P3142 PolarHBondContact NH1-O 2.97Å; R3060-P3142 PolarHBondContact NH2-O 2.89Å; R3060-D3144 IonicContact CZ-OD1 2.88Å; R3060-D3144 IonicContact NH1-OD1 3.85Å; R3060-D3144 PolarHBondContact NH1-OD1 3.28Å; R3060-L3147 HydrophobicContact CB-CD2 4.29Å; R3060-L3147 HydrophobicContact CG-CD2 3.72Å |
| 3061 | S | 86.2 | Confident | 85.9 | Confident | 20.6667 Ų | 20.6667 | 35.2 Ų | 35.2 | 15% | 0.145 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.3 | -44.8 | 176.6 | -55.8 | 0 | 0 | 0 | 0 | 112.4 | G3057 T3059 M3063 V3064 Y3065 V3138 | G3057-S3061 WeakPolarHBondContact O-CB 3.29Å; G3057-S3061 PolarHBondContact O-N 3.08Å; G3057-S3061 PolarHBondContact O-OG 3.05Å; G3057-S3061 VanDerWaalsContact O-OG 3.12Å; T3059-S3061 VanDerWaalsContact C-N 3.31Å; T3059-S3061 PolarHBondContact O-N 3.01Å; S3061-M3063 VanDerWaalsContact C-N 3.3Å; S3061-M3063 PolarHBondContact O-N 3.08Å; S3061-V3064 PolarHBondContact O-N 3.05Å; S3061-Y3065 WeakPolarHBondContact O-CB 3.4Å; S3061-Y3065 WeakPolarHBondContact O-CD2 3.39Å; S3061-Y3065 PolarHBondContact O-N 3.33Å; S3061-V3138 WeakPolarHBondContact OG-CG1 3.31Å |
| 3062 | S | 87.7 | Confident | 86.8 | Confident | 20 Ų | 20 | 30.4 Ų | 30.4 | 14% | 0.14 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -59.3 | -43.8 | 179.5 | -171.8 | 0 | 0 | 0 | 0 | 111.3 | S2962 K3058 T3059 R3060 A3066 G3067 | S2962-S3062 WeakPolarHBondContact OG-CB 3.47Å; K3058-S3062 VanDerWaalsContact O-CB 3.3Å; K3058-S3062 WeakPolarHBondContact O-CB 3.36Å; K3058-S3062 PolarHBondContact O-N 3.05Å; T3059-S3062 PolarHBondContact O-N 3.07Å; R3060-S3062 PolarHBondContact O-N 3.16Å; S3062-A3066 WeakPolarHBondContact O-CA 3.33Å; S3062-A3066 WeakPolarHBondContact O-CB 3.45Å; S3062-A3066 PolarHBondContact O-N 3.22Å; S3062-G3067 PolarHBondContact O-N 3.21Å |
| 3063 | M | 88.8 | Confident | 87.6 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -78.9 | -33.8 | 179.7 | -174.1 | 60.6 | -170.2 | 0 | 0 | 113.2 | I2959 T3059 R3060 S3061 G3067 P3068 L3147 H3150 F3151 L3154 | I2959-M3063 HydrophobicContact CG2-CB 4.48Å; I2959-M3063 HydrophobicContact CG2-SD 3.85Å; T3059-M3063 PolarHBondContact O-N 2.94Å; T3059-M3063 VanDerWaalsContact O-N 3.16Å; R3060-M3063 PolarHBondContact O-N 3.01Å; S3061-M3063 VanDerWaalsContact C-N 3.3Å; S3061-M3063 PolarHBondContact O-N 3.08Å; M3063-G3067 VanDerWaalsContact O-CA 3.27Å; M3063-G3067 WeakPolarHBondContact O-CA 3.42Å; M3063-G3067 PolarHBondContact O-N 3.32Å; M3063-G3067 VanDerWaalsContact O-N 3.15Å; M3063-P3068 VanDerWaalsContact O-CD 3.25Å; M3063-P3068 WeakPolarHBondContact O-CD 3.42Å; M3063-L3147 HydrophobicContact CB-CD1 3.82Å; M3063-L3147 HydrophobicContact CB-CG 4.35Å; M3063-L3147 HydrophobicContact CG-CD1 3.56Å; M3063-L3147 VanDerWaalsContact CG-CD1 3.45Å; M3063-L3147 HydrophobicContact CG-CG 4.25Å; M3063-H3150 VanDerWaalsContact CE-C 3.46Å; M3063-H3150 HydrophobicContact CE-CB 3.53Å; M3063-H3150 WeakPolarHBondContact CE-O 3.39Å; M3063-F3151 HydrophobicContact CB-CD1 4.44Å; M3063-F3151 HydrophobicContact CB-CD2 4.24Å; M3063-F3151 HydrophobicContact CB-CE1 3.83Å; M3063-F3151 HydrophobicContact CB-CE2 3.58Å; M3063-F3151 HydrophobicContact CB-CZ 3.35Å; M3063-F3151 HydrophobicContact CG-CD1 4.25Å; M3063-F3151 HydrophobicContact CG-CD2 3.99Å; M3063-F3151 HydrophobicContact CG-CE1 4.14Å; M3063-F3151 HydrophobicContact CG-CE2 3.85Å; M3063-F3151 HydrophobicContact CG-CG 4.19Å; M3063-F3151 HydrophobicContact CG-CZ 3.94Å; M3063-F3151 HydrophobicContact SD-CB 4.48Å; M3063-F3151 HydrophobicContact SD-CD1 4.18Å; M3063-F3151 HydrophobicContact SD-CE1 4.31Å; M3063-F3151 HydrophobicContact SD-CG 4.45Å; M3063-L3154 HydrophobicContact CE-CB 4.38Å; M3063-L3154 HydrophobicContact CE-CD2 4.32Å; M3063-L3154 HydrophobicContact SD-CD2 3.97Å |
| 3064 | V | 86.2 | Confident | 88.1 | Confident | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.024 | 12% | 0.119 | C | C | . | . | I | π-helix | trans | -66.4 | -42.2 | 174.9 | 168.2 | 0 | 0 | 0 | 0 | 112.1 | R3060 S3061 P3068 Y3129 W3135 P3142 L3147 | R3060-V3064 WeakPolarHBondContact O-CB 3.3Å; R3060-V3064 VanDerWaalsContact O-CG2 3.27Å; R3060-V3064 WeakPolarHBondContact O-CG2 3.4Å; R3060-V3064 PolarHBondContact O-N 2.97Å; S3061-V3064 PolarHBondContact O-N 3.05Å; V3064-P3068 VanDerWaalsContact O-CD 3.28Å; V3064-P3068 WeakPolarHBondContact O-CD 3.36Å; V3064-P3068 WeakPolarHBondContact O-CG 3.46Å; V3064-Y3129 HydrophobicContact CG2-CE1 4.5Å; V3064-W3135 WeakPolarHBondContact CG1-O 3.38Å; V3064-P3142 HydrophobicContact CG2-CG 3.98Å; V3064-L3147 HydrophobicContact CG2-CD1 4.2Å |
| 3065 | Y | 83.4 | Confident | 88.5 | Confident | 36 Ų | 36 | 17.6 Ų | 17.6 | 14% | 0.141 | 9% | 0.092 | C | C | . | . | I | π-helix | trans | -92.4 | -47.9 | -177.4 | -58.4 | -57.1 | 0 | 0 | 0 | 113.3 | Y2904 L2908 I2916 S3061 S3136 V3138 | Y2904-Y3065 WeakPolarHBondContact CD1-O 3.3Å; Y2904-Y3065 WeakPolarHBondContact CE1-O 3.33Å; L2908-Y3065 HydrophobicContact CD1-CD2 3.64Å; L2908-Y3065 HydrophobicContact CD1-CE2 4.01Å; I2916-Y3065 HydrophobicContact CD1-CE1 3.94Å; I2916-Y3065 HydrophobicContact CG1-CE1 4.47Å; I2916-Y3065 HydrophobicContact CG2-CE1 4.38Å; S3061-Y3065 WeakPolarHBondContact O-CB 3.4Å; S3061-Y3065 WeakPolarHBondContact O-CD2 3.39Å; S3061-Y3065 PolarHBondContact O-N 3.33Å; Y3065-S3136 PolarHBondContact OH-O 3.25Å; Y3065-V3138 HydrophobicContact CE2-CG2 3.9Å |
| 3066 | A | 87.5 | Confident | 88.9 | Confident | 6.66667 Ų | 6.66667 | 15.3 Ų | 15.3 | 6% | 0.055 | 8% | 0.08 | C | C | . | . | I | π-helix | trans | -86.3 | -25.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q2905 I2955 I2959 S3062 S3069 C3070 | Q2905-A3066 HydrophobicContact CG-CB 4.3Å; I2955-A3066 HydrophobicContact CG2-CB 4.07Å; I2959-A3066 HydrophobicContact CD1-CB 3.74Å; I2959-A3066 HydrophobicContact CG1-CB 3.83Å; S3062-A3066 WeakPolarHBondContact O-CA 3.33Å; S3062-A3066 WeakPolarHBondContact O-CB 3.45Å; S3062-A3066 PolarHBondContact O-N 3.22Å; A3066-S3069 WeakPolarHBondContact O-CB 3.46Å; A3066-S3069 PolarHBondContact O-N 3.27Å; A3066-C3070 WeakPolarHBondContact O-CB 3.33Å; A3066-C3070 PolarHBondContact O-N 3.11Å |
| 3067 | G | 89.2 | Confident | 89.2 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.1 | -58.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | S3062 M3063 S3069 C3070 L3071 | S3062-G3067 PolarHBondContact O-N 3.21Å; M3063-G3067 VanDerWaalsContact O-CA 3.27Å; M3063-G3067 WeakPolarHBondContact O-CA 3.42Å; M3063-G3067 PolarHBondContact O-N 3.32Å; M3063-G3067 VanDerWaalsContact O-N 3.15Å; G3067-S3069 VanDerWaalsContact C-N 3.26Å; G3067-S3069 PolarHBondContact O-N 3.09Å; G3067-C3070 PolarHBondContact O-N 3.24Å; G3067-C3070 VanDerWaalsContact O-N 3.1Å; G3067-L3071 WeakPolarHBondContact O-CG 3.34Å; G3067-L3071 PolarHBondContact O-N 3.35Å |
| 3068 | P | 88.3 | Confident | 89.4 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -58.8 | -35.9 | 178.2 | -26.6 | 35.3 | 0 | 0 | 0 | 113.3 | L2920 M3063 V3064 L3072 Y3129 | L2920-P3068 HydrophobicContact CD1-CB 3.85Å; L2920-P3068 HydrophobicContact CD2-CB 4.06Å; M3063-P3068 VanDerWaalsContact O-CD 3.25Å; M3063-P3068 WeakPolarHBondContact O-CD 3.42Å; V3064-P3068 VanDerWaalsContact O-CD 3.28Å; V3064-P3068 WeakPolarHBondContact O-CD 3.36Å; V3064-P3068 WeakPolarHBondContact O-CG 3.46Å; P3068-L3072 VanDerWaalsContact O-CB 3.27Å; P3068-L3072 WeakPolarHBondContact O-CB 3.26Å; P3068-L3072 PolarHBondContact O-N 3.04Å; P3068-Y3129 HydrophobicContact CB-CD2 4.49Å; P3068-Y3129 HydrophobicContact CB-CG 4.47Å; P3068-Y3129 HydrophobicContact CG-CD1 3.8Å; P3068-Y3129 HydrophobicContact CG-CD2 3.73Å; P3068-Y3129 HydrophobicContact CG-CE1 4.13Å; P3068-Y3129 HydrophobicContact CG-CE2 4.06Å; P3068-Y3129 HydrophobicContact CG-CG 3.59Å |
| 3069 | S | 90 | Very high | 89.6 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63.6 | -45.5 | 174.8 | -174.6 | 0 | 0 | 0 | 0 | 111.4 | F2901 A3066 G3067 L3072 L3073 | F2901-S3069 WeakPolarHBondContact CD1-OG 3.29Å; F2901-S3069 PolarHBondContact O-OG 3.1Å; A3066-S3069 WeakPolarHBondContact O-CB 3.46Å; A3066-S3069 PolarHBondContact O-N 3.27Å; G3067-S3069 VanDerWaalsContact C-N 3.26Å; G3067-S3069 PolarHBondContact O-N 3.09Å; S3069-L3072 PolarHBondContact O-N 3.15Å; S3069-L3073 WeakPolarHBondContact O-CG 3.3Å; S3069-L3073 PolarHBondContact O-N 3.05Å |
| 3070 | C | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -65.6 | -47.6 | 177.8 | -157.8 | 0 | 0 | 0 | 0 | 112.4 | I2955 I2959 A3066 G3067 L3072 L3073 M3074 L3154 | I2955-C3070 HydrophobicContact CG2-CB 3.72Å; I2959-C3070 HydrophobicContact CD1-CB 4.09Å; A3066-C3070 WeakPolarHBondContact O-CB 3.33Å; A3066-C3070 PolarHBondContact O-N 3.11Å; G3067-C3070 PolarHBondContact O-N 3.24Å; G3067-C3070 VanDerWaalsContact O-N 3.1Å; C3070-L3072 VanDerWaalsContact C-N 3.26Å; C3070-L3072 PolarHBondContact O-N 3.25Å; C3070-L3073 WeakPolarHBondContact O-CB 3.35Å; C3070-L3073 PolarHBondContact O-N 3.17Å; C3070-L3073 VanDerWaalsContact O-N 3.14Å; C3070-M3074 VanDerWaalsContact O-CG 3.31Å; C3070-M3074 WeakPolarHBondContact O-CG 3.3Å; C3070-M3074 PolarHBondContact O-N 3.04Å; C3070-L3154 HydrophobicContact CB-CD1 4.04Å |
| 3071 | L | 91.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60.6 | -35.1 | 177.1 | -67.8 | 169.9 | 0 | 0 | 0 | 112 | F3017 G3067 M3074 T3075 I3125 V3126 L3154 | F3017-L3071 HydrophobicContact CD2-CD2 4.08Å; F3017-L3071 HydrophobicContact CE2-CB 4.48Å; F3017-L3071 HydrophobicContact CE2-CD2 4.17Å; F3017-L3071 WeakPolarHBondContact CE2-O 3.2Å; G3067-L3071 WeakPolarHBondContact O-CG 3.34Å; G3067-L3071 PolarHBondContact O-N 3.35Å; L3071-M3074 HydrophobicContact CD2-SD 4.2Å; L3071-M3074 WeakPolarHBondContact O-CB 3.3Å; L3071-M3074 PolarHBondContact O-N 3.16Å; L3071-T3075 PolarHBondContact O-N 3.22Å; L3071-T3075 PolarHBondContact O-OG1 3.21Å; L3071-I3125 HydrophobicContact CD1-CB 4.25Å; L3071-I3125 HydrophobicContact CD1-CD1 4.45Å; L3071-I3125 HydrophobicContact CD1-CG2 3.57Å; L3071-V3126 HydrophobicContact CB-CG2 4.01Å; L3071-L3154 HydrophobicContact CD2-CB 4.38Å; L3071-L3154 HydrophobicContact CD2-CD1 3.91Å; L3071-L3154 HydrophobicContact CG-CD1 4.23Å |
| 3072 | L | 91.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -70.2 | -41.9 | 175.2 | -173.8 | 60.2 | 0 | 0 | 0 | 112 | F2901 L2923 I2924 A2927 P3068 S3069 C3070 M3074 T3075 I3076 M3120 L3122 | F2901-L3072 HydrophobicContact CE1-CB 4.39Å; F2901-L3072 HydrophobicContact CE1-CD2 3.98Å; F2901-L3072 HydrophobicContact CE1-CG 4.2Å; F2901-L3072 HydrophobicContact CZ-CD2 4.34Å; L2923-L3072 VanDerWaalsContact C-CD2 3.48Å; L2923-L3072 HydrophobicContact CB-CD2 3.83Å; L2923-L3072 WeakPolarHBondContact O-CD2 3.45Å; I2924-L3072 HydrophobicContact CG1-CD1 4.4Å; I2924-L3072 HydrophobicContact CG1-CD2 4.04Å; A2927-L3072 HydrophobicContact CB-CD1 3.68Å; A2927-L3072 HydrophobicContact CB-CD2 3.85Å; A2927-L3072 HydrophobicContact CB-CG 3.68Å; P3068-L3072 VanDerWaalsContact O-CB 3.27Å; P3068-L3072 WeakPolarHBondContact O-CB 3.26Å; P3068-L3072 PolarHBondContact O-N 3.04Å; S3069-L3072 PolarHBondContact O-N 3.15Å; C3070-L3072 VanDerWaalsContact C-N 3.26Å; C3070-L3072 PolarHBondContact O-N 3.25Å; L3072-M3074 VanDerWaalsContact C-N 3.33Å; L3072-M3074 PolarHBondContact O-N 3.18Å; L3072-T3075 VanDerWaalsContact O-CB 3.3Å; L3072-T3075 WeakPolarHBondContact O-CB 3.4Å; L3072-T3075 PolarHBondContact O-N 2.99Å; L3072-T3075 VanDerWaalsContact O-N 3.1Å; L3072-I3076 WeakPolarHBondContact O-CG1 3.37Å; L3072-I3076 PolarHBondContact O-N 3.14Å; L3072-I3076 VanDerWaalsContact O-N 3.09Å; L3072-M3120 HydrophobicContact CD1-CE 4.47Å; L3072-L3122 HydrophobicContact CD1-CD2 3.68Å |
| 3073 | L | 93.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.2 | -41.6 | 171.3 | -70.9 | 170.3 | 0 | 0 | 0 | 111.7 | L2898 F2901 I2948 R2951 I2952 I2955 S3069 C3070 T3075 I3076 R3077 | L2898-L3073 HydrophobicContact CD2-CD2 3.91Å; F2901-L3073 HydrophobicContact CB-CD1 4.42Å; F2901-L3073 HydrophobicContact CD1-CD1 4.14Å; F2901-L3073 HydrophobicContact CD1-CD2 3.7Å; F2901-L3073 HydrophobicContact CD1-CG 3.67Å; F2901-L3073 HydrophobicContact CD2-CD2 4.4Å; F2901-L3073 HydrophobicContact CE1-CD2 3.8Å; F2901-L3073 HydrophobicContact CE1-CG 3.96Å; F2901-L3073 HydrophobicContact CE2-CD2 4.48Å; F2901-L3073 HydrophobicContact CG-CD1 4.49Å; F2901-L3073 HydrophobicContact CG-CD2 4.03Å; F2901-L3073 HydrophobicContact CG-CG 4.32Å; F2901-L3073 HydrophobicContact CZ-CD2 4.22Å; I2948-L3073 HydrophobicContact CG1-CD2 4.32Å; I2948-L3073 HydrophobicContact CG2-CB 4.42Å; R2951-L3073 HydrophobicContact CB-CD1 4.04Å; I2952-L3073 HydrophobicContact CD1-CB 4.1Å; I2952-L3073 HydrophobicContact CG1-CB 3.72Å; I2955-L3073 HydrophobicContact CD1-CD1 3.89Å; S3069-L3073 WeakPolarHBondContact O-CG 3.3Å; S3069-L3073 PolarHBondContact O-N 3.05Å; C3070-L3073 WeakPolarHBondContact O-CB 3.35Å; C3070-L3073 PolarHBondContact O-N 3.17Å; C3070-L3073 VanDerWaalsContact O-N 3.14Å; L3073-T3075 VanDerWaalsContact C-N 3.26Å; L3073-T3075 PolarHBondContact O-N 3.06Å; L3073-I3076 HydrophobicContact CD2-CD1 4.36Å; L3073-I3076 PolarHBondContact O-N 3.1Å; L3073-R3077 WeakPolarHBondContact O-CB 3.36Å; L3073-R3077 PolarHBondContact O-N 2.95Å |
| 3074 | M | 92 | Very high | 89.4 | Confident | 0.666667 Ų | 0.666667 | 19 Ų | 19 | 0% | 0.003 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.9 | -32.8 | 173.6 | -67.3 | 166 | 142.7 | 0 | 0 | 112.3 | I2952 F3017 C3070 L3071 L3072 R3077 K3078 L3154 E3157 L3158 | I2952-M3074 HydrophobicContact CD1-CB 4.42Å; I2952-M3074 HydrophobicContact CD1-CG 3.94Å; I2952-M3074 HydrophobicContact CG1-CG 4.22Å; I2952-M3074 HydrophobicContact CG2-CE 4.17Å; I2952-M3074 HydrophobicContact CG2-CG 4.18Å; I2952-M3074 HydrophobicContact CG2-SD 4.43Å; F3017-M3074 HydrophobicContact CE1-CB 4.44Å; F3017-M3074 HydrophobicContact CE2-CB 4.13Å; F3017-M3074 HydrophobicContact CZ-CB 3.78Å; C3070-M3074 VanDerWaalsContact O-CG 3.31Å; C3070-M3074 WeakPolarHBondContact O-CG 3.3Å; C3070-M3074 PolarHBondContact O-N 3.04Å; L3071-M3074 HydrophobicContact CD2-SD 4.2Å; L3071-M3074 WeakPolarHBondContact O-CB 3.3Å; L3071-M3074 PolarHBondContact O-N 3.16Å; L3072-M3074 VanDerWaalsContact C-N 3.33Å; L3072-M3074 PolarHBondContact O-N 3.18Å; M3074-R3077 WeakPolarHBondContact O-CB 3.27Å; M3074-R3077 PolarHBondContact O-N 3.14Å; M3074-K3078 WeakPolarHBondContact O-CB 3.26Å; M3074-K3078 PolarHBondContact O-N 3.15Å; M3074-L3154 HydrophobicContact CE-CD1 3.78Å; M3074-L3154 HydrophobicContact CE-CG 4.34Å; M3074-L3154 HydrophobicContact SD-CD1 3.72Å; M3074-L3154 VanDerWaalsContact SD-CD1 3.52Å; M3074-E3157 VanDerWaalsContact CE-C 3.41Å; M3074-E3157 HydrophobicContact CE-CB 3.66Å; M3074-E3157 VanDerWaalsContact CE-CB 3.47Å; M3074-E3157 VanDerWaalsContact CE-O 3.25Å; M3074-E3157 WeakPolarHBondContact CE-O 3.34Å; M3074-E3157 HydrophobicContact SD-CB 3.73Å; M3074-E3157 HydrophobicContact SD-CG 4.49Å; M3074-L3158 HydrophobicContact CE-CD1 4.41Å; M3074-L3158 HydrophobicContact CE-CD2 3.67Å; M3074-L3158 HydrophobicContact CE-CG 3.63Å |
| 3075 | T | 91.7 | Very high | 89.3 | Confident | 7.66667 Ų | 7.66667 | 19.7 Ų | 19.7 | 5% | 0.047 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67.2 | -43.9 | 175.9 | -53.3 | 0 | 0 | 0 | 0 | 110.6 | L3071 L3072 L3073 K3078 F3079 M3120 T3121 L3122 | L3071-T3075 PolarHBondContact O-N 3.22Å; L3071-T3075 PolarHBondContact O-OG1 3.21Å; L3072-T3075 VanDerWaalsContact O-CB 3.3Å; L3072-T3075 WeakPolarHBondContact O-CB 3.4Å; L3072-T3075 PolarHBondContact O-N 2.99Å; L3072-T3075 VanDerWaalsContact O-N 3.1Å; L3073-T3075 VanDerWaalsContact C-N 3.26Å; L3073-T3075 PolarHBondContact O-N 3.06Å; T3075-K3078 PolarHBondContact O-N 3.16Å; T3075-F3079 WeakPolarHBondContact O-CB 3.42Å; T3075-F3079 PolarHBondContact O-N 3.19Å; T3075-M3120 HydrophobicContact CG2-CE 4.46Å; T3075-M3120 HydrophobicContact CG2-CG 3.84Å; T3075-M3120 HydrophobicContact CG2-SD 3.92Å; T3075-T3121 VanDerWaalsContact CG2-O 3.31Å; T3075-T3121 WeakPolarHBondContact CG2-O 3.29Å; T3075-L3122 HydrophobicContact CG2-CD2 4.45Å |
| 3076 | I | 92.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.6 | -43 | 174.2 | -52 | 162.5 | 0 | 0 | 0 | 110.3 | F2901 A2927 L2930 I2948 L3072 L3073 K3078 F3079 I3080 M3120 | F2901-I3076 HydrophobicContact CZ-CD1 4.28Å; A2927-I3076 HydrophobicContact CB-CD1 3.64Å; A2927-I3076 HydrophobicContact CB-CG1 3.89Å; L2930-I3076 HydrophobicContact CB-CD1 4.39Å; L2930-I3076 HydrophobicContact CB-CG2 4.41Å; L2930-I3076 HydrophobicContact CD1-CD1 4.26Å; I2948-I3076 HydrophobicContact CD1-CB 4.01Å; I2948-I3076 HydrophobicContact CD1-CD1 4.47Å; I2948-I3076 HydrophobicContact CD1-CG2 3.51Å; I2948-I3076 VanDerWaalsContact CD1-CG2 3.46Å; L3072-I3076 WeakPolarHBondContact O-CG1 3.37Å; L3072-I3076 PolarHBondContact O-N 3.14Å; L3072-I3076 VanDerWaalsContact O-N 3.09Å; L3073-I3076 HydrophobicContact CD2-CD1 4.36Å; L3073-I3076 PolarHBondContact O-N 3.1Å; I3076-K3078 VanDerWaalsContact C-N 3.35Å; I3076-K3078 PolarHBondContact O-N 3.22Å; I3076-F3079 PolarHBondContact O-N 3.14Å; I3076-I3080 HydrophobicContact CG2-CD1 3.72Å; I3076-I3080 HydrophobicContact CG2-CG1 4.2Å; I3076-I3080 WeakPolarHBondContact O-CB 3.36Å; I3076-I3080 WeakPolarHBondContact O-CG1 3.36Å; I3076-I3080 PolarHBondContact O-N 3.02Å; I3076-M3120 HydrophobicContact CB-SD 4.42Å; I3076-M3120 HydrophobicContact CG1-CE 4.24Å; I3076-M3120 HydrophobicContact CG1-SD 3.96Å |
| 3077 | R | 92.2 | Very high | 89.4 | Confident | 19.6667 Ų | 19.6667 | 19.9 Ų | 19.9 | 7% | 0.074 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -53.9 | -49.9 | 174.9 | 176.1 | -177.9 | 69.2 | 172.4 | 4.9 | 111.2 | I2948 E2949 I2952 L3073 M3074 I3080 R3081 E3157 H3161 | I2948-R3077 HydrophobicContact CG2-CB 4.02Å; E2949-R3077 VanDerWaalsContact CD-CD 3.48Å; E2949-R3077 WeakPolarHBondContact OE1-CD 3.31Å; E2949-R3077 IonicContact OE1-CZ 3.69Å; E2949-R3077 IonicContact OE1-NE 3.47Å; E2949-R3077 IonicContact OE1-NH1 3.35Å; E2949-R3077 PolarHBondContact OE1-NH1 3.18Å; E2949-R3077 VanDerWaalsContact OE2-CD 3.27Å; E2949-R3077 WeakPolarHBondContact OE2-CD 3.26Å; I2952-R3077 HydrophobicContact CD1-CB 3.96Å; I2952-R3077 HydrophobicContact CD1-CG 4.4Å; L3073-R3077 WeakPolarHBondContact O-CB 3.36Å; L3073-R3077 PolarHBondContact O-N 2.95Å; M3074-R3077 WeakPolarHBondContact O-CB 3.27Å; M3074-R3077 PolarHBondContact O-N 3.14Å; R3077-I3080 PolarHBondContact O-N 3.2Å; R3077-R3081 VanDerWaalsContact O-CG 3.26Å; R3077-R3081 WeakPolarHBondContact O-CG 3.28Å; R3077-R3081 PolarHBondContact O-N 3.16Å; R3077-R3081 VanDerWaalsContact O-N 3.15Å; R3077-E3157 PolarHBondContact NH2-O 3.16Å; R3077-E3157 IonicContact NH2-OE2 3.75Å; R3077-H3161 VanDerWaalsContact CZ-CE1 3.47Å; R3077-H3161 PolarHBondContact NH1-CD2 3.37Å; R3077-H3161 VanDerWaalsContact NH1-CD2 3.34Å; R3077-H3161 PolarHBondContact NH1-CE1 3.16Å; R3077-H3161 VanDerWaalsContact NH1-CE1 3.28Å; R3077-H3161 PolarHBondContact NH1-NE2 2.94Å; R3077-H3161 VanDerWaalsContact NH1-NE2 3.13Å; R3077-H3161 PolarHBondContact NH2-CD2 3.26Å; R3077-H3161 PolarHBondContact NH2-NE2 2.89Å |
| 3078 | K | 89.3 | Confident | 89.1 | Confident | 71 Ų | 71 | 23.7 Ų | 23.7 | 31% | 0.309 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -59.1 | -53.7 | 176.4 | -179.8 | -179.4 | 173 | -179.9 | 0 | 111.1 | F3017 N3018 M3074 T3075 I3076 I3080 R3081 E3082 | F3017-K3078 HydrophobicContact CE1-CD 4.39Å; N3018-K3078 PolarHBondContact OD1-NZ 3.21Å; M3074-K3078 WeakPolarHBondContact O-CB 3.26Å; M3074-K3078 PolarHBondContact O-N 3.15Å; T3075-K3078 PolarHBondContact O-N 3.16Å; I3076-K3078 VanDerWaalsContact C-N 3.35Å; I3076-K3078 PolarHBondContact O-N 3.22Å; K3078-I3080 VanDerWaalsContact C-N 3.29Å; K3078-I3080 PolarHBondContact O-N 3.25Å; K3078-R3081 PolarHBondContact O-N 3.06Å; K3078-R3081 VanDerWaalsContact O-N 3.14Å; K3078-E3082 WeakPolarHBondContact CE-OE1 3.42Å; K3078-E3082 VanDerWaalsContact CE-OE2 3.28Å; K3078-E3082 WeakPolarHBondContact CE-OE2 3.38Å; K3078-E3082 HydrophobicContact CG-CG 4.4Å; K3078-E3082 IonicContact NZ-OE1 2.92Å; K3078-E3082 PolarHBondContact O-N 3.27Å |
| 3079 | F | 89.7 | Confident | 89 | Confident | 16 Ų | 16 | 26.3 Ų | 26.3 | 7% | 0.07 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56 | -42.4 | -179.2 | -178.7 | -88.4 | 0 | 0 | 0 | 112.4 | A2931 H2932 T3075 I3076 E3082 Y3083 Y3084 M3120 | A2931-F3079 HydrophobicContact CB-CD1 3.72Å; A2931-F3079 HydrophobicContact CB-CE1 3.91Å; A2931-F3079 HydrophobicContact CB-CG 4.33Å; A2931-F3079 HydrophobicContact CB-CZ 4.48Å; A2931-F3079 WeakPolarHBondContact O-CE1 3.26Å; H2932-F3079 AromaticContact CD2-CZ 3.83Å; H2932-F3079 AromaticContact NE2-CE2 3.86Å; H2932-F3079 AromaticContact NE2-CZ 3.82Å; T3075-F3079 WeakPolarHBondContact O-CB 3.42Å; T3075-F3079 PolarHBondContact O-N 3.19Å; I3076-F3079 PolarHBondContact O-N 3.14Å; F3079-E3082 PolarHBondContact O-N 3.03Å; F3079-Y3083 HydrophobicContact CE1-CD1 4.22Å; F3079-Y3083 HydrophobicContact CE1-CG 4.12Å; F3079-Y3083 HydrophobicContact CZ-CD1 4.37Å; F3079-Y3083 HydrophobicContact CZ-CD2 4.27Å; F3079-Y3083 AromaticContact CZ-CG 3.97Å; F3079-Y3083 HydrophobicContact CZ-CG 4.01Å; F3079-Y3083 VanDerWaalsContact O-CB 3.23Å; F3079-Y3083 WeakPolarHBondContact O-CB 3.32Å; F3079-Y3083 PolarHBondContact O-N 2.86Å; F3079-Y3084 HydrophobicContact CE1-CE2 4.47Å; F3079-M3120 HydrophobicContact CB-CG 4.11Å; F3079-M3120 HydrophobicContact CB-SD 4.18Å; F3079-M3120 HydrophobicContact CD2-CB 3.86Å; F3079-M3120 HydrophobicContact CD2-CG 4.1Å; F3079-M3120 HydrophobicContact CE2-CB 4.2Å; F3079-M3120 HydrophobicContact CG-CB 4.29Å; F3079-M3120 HydrophobicContact CG-CG 4.21Å; F3079-M3120 HydrophobicContact CG-SD 4.45Å |
| 3080 | I | 89.6 | Confident | 88.9 | Confident | 1.66667 Ų | 1.66667 | 30.9 Ų | 30.9 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67 | -40.9 | 179.1 | -72.8 | 176.5 | 0 | 0 | 0 | 111.9 | V2941 V2944 A2945 I2948 I3076 R3077 K3078 Y3084 V3086 | V2941-I3080 HydrophobicContact CG1-CG2 3.67Å; V2944-I3080 HydrophobicContact CB-CD1 4.35Å; V2944-I3080 HydrophobicContact CG1-CD1 3.57Å; A2945-I3080 HydrophobicContact CB-CG2 4.25Å; I2948-I3080 HydrophobicContact CD1-CD1 4.22Å; I3076-I3080 HydrophobicContact CG2-CD1 3.72Å; I3076-I3080 HydrophobicContact CG2-CG1 4.2Å; I3076-I3080 WeakPolarHBondContact O-CB 3.36Å; I3076-I3080 WeakPolarHBondContact O-CG1 3.36Å; I3076-I3080 PolarHBondContact O-N 3.02Å; R3077-I3080 PolarHBondContact O-N 3.2Å; K3078-I3080 VanDerWaalsContact C-N 3.29Å; K3078-I3080 PolarHBondContact O-N 3.25Å; I3080-Y3084 HydrophobicContact CB-CD2 4.41Å; I3080-Y3084 HydrophobicContact CG1-CD2 4.26Å; I3080-Y3084 HydrophobicContact CG1-CE2 4.47Å; I3080-Y3084 HydrophobicContact CG2-CD2 4.27Å; I3080-Y3084 WeakPolarHBondContact O-CB 3.37Å; I3080-Y3084 PolarHBondContact O-N 3.25Å; I3080-Y3084 VanDerWaalsContact O-N 3.1Å; I3080-V3086 HydrophobicContact CG2-CB 4.34Å; I3080-V3086 HydrophobicContact CG2-CG2 3.81Å |
| 3081 | R | 88.4 | Confident | 88.7 | Confident | 62.3333 Ų | 62.3333 | 31.6 Ų | 31.6 | 24% | 0.235 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 175.5 | -68.9 | 176.6 | -178.3 | -159.2 | 3.9 | 111 | E2949 R3077 K3078 G3085 V3086 H3161 | E2949-R3081 IonicContact OE1-NH2 2.72Å; E2949-R3081 IonicContact OE2-CZ 3Å; E2949-R3081 IonicContact OE2-NH2 3.52Å; E2949-R3081 PolarHBondContact OE2-NH2 3.13Å; R3077-R3081 VanDerWaalsContact O-CG 3.26Å; R3077-R3081 WeakPolarHBondContact O-CG 3.28Å; R3077-R3081 PolarHBondContact O-N 3.16Å; R3077-R3081 VanDerWaalsContact O-N 3.15Å; K3078-R3081 PolarHBondContact O-N 3.06Å; K3078-R3081 VanDerWaalsContact O-N 3.14Å; R3081-G3085 VanDerWaalsContact O-CA 3.3Å; R3081-G3085 WeakPolarHBondContact O-CA 3.36Å; R3081-G3085 PolarHBondContact O-N 3.22Å; R3081-G3085 VanDerWaalsContact O-N 3.13Å; R3081-V3086 HydrophobicContact CG-CB 4.47Å; R3081-V3086 WeakPolarHBondContact CG-O 3.41Å; R3081-V3086 PolarHBondContact O-N 3.43Å; R3081-H3161 PolarHBondContact NH1-CE1 3.05Å; R3081-H3161 VanDerWaalsContact NH1-CE1 3.3Å; R3081-H3161 PolarHBondContact NH1-ND1 3.14Å; R3081-H3161 PolarHBondContact NH2-CE1 3.01Å; R3081-H3161 PolarHBondContact NH2-ND1 3.15Å; R3081-H3161 VanDerWaalsContact NH2-ND1 3.11Å |
| 3082 | E | 86.2 | Confident | 88.6 | Confident | 90.6667 Ų | 90.6667 | 39 Ų | 39 | 42% | 0.424 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -70.3 | -49.1 | -178.9 | -68.3 | 178.4 | 150.4 | 0 | 0 | 113.5 | K3078 F3079 | K3078-E3082 WeakPolarHBondContact CE-OE1 3.42Å; K3078-E3082 VanDerWaalsContact CE-OE2 3.28Å; K3078-E3082 WeakPolarHBondContact CE-OE2 3.38Å; K3078-E3082 HydrophobicContact CG-CG 4.4Å; K3078-E3082 IonicContact NZ-OE1 2.92Å; K3078-E3082 PolarHBondContact O-N 3.27Å; F3079-E3082 PolarHBondContact O-N 3.03Å |
| 3083 | Y | 84.7 | Confident | 88.4 | Confident | 55.3333 Ų | 55.3333 | 44.4 Ų | 44.4 | 22% | 0.217 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -81.6 | -36.1 | -171.2 | -173.5 | -97.9 | 0 | 0 | 0 | 113.5 | F3079 L3109 | F3079-Y3083 HydrophobicContact CE1-CD1 4.22Å; F3079-Y3083 HydrophobicContact CE1-CG 4.12Å; F3079-Y3083 HydrophobicContact CZ-CD1 4.37Å; F3079-Y3083 HydrophobicContact CZ-CD2 4.27Å; F3079-Y3083 AromaticContact CZ-CG 3.97Å; F3079-Y3083 HydrophobicContact CZ-CG 4.01Å; F3079-Y3083 VanDerWaalsContact O-CB 3.23Å; F3079-Y3083 WeakPolarHBondContact O-CB 3.32Å; F3079-Y3083 PolarHBondContact O-N 2.86Å; Y3083-L3109 HydrophobicContact CD1-CD2 4.07Å; Y3083-L3109 HydrophobicContact CE1-CD1 4.45Å; Y3083-L3109 HydrophobicContact CE1-CD2 3.6Å |
| 3084 | Y | 87 | Confident | 88.3 | Confident | 27.6667 Ų | 27.6667 | 45 Ų | 45 | 11% | 0.108 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -103.4 | -4.4 | -179.1 | -61.7 | -72.5 | 0 | 0 | 0 | 114.2 | A2931 Y2935 V2941 F3079 I3080 V3086 I3107 L3109 | A2931-Y3084 PolarHBondContact O-OH 3.45Å; Y2935-Y3084 HydrophobicContact CD2-CE1 4.34Å; Y2935-Y3084 AromaticContact CD2-CE2 3.97Å; Y2935-Y3084 HydrophobicContact CD2-CE2 4.08Å; Y2935-Y3084 AromaticContact CD2-CZ 3.72Å; Y2935-Y3084 WeakPolarHBondContact CD2-OH 3.42Å; Y2935-Y3084 HydrophobicContact CE2-CE2 4.42Å; V2941-Y3084 HydrophobicContact CG1-CD1 4.45Å; V2941-Y3084 HydrophobicContact CG1-CD2 3.83Å; V2941-Y3084 HydrophobicContact CG1-CE2 4.48Å; V2941-Y3084 HydrophobicContact CG1-CG 3.77Å; V2941-Y3084 HydrophobicContact CG2-CD1 4.01Å; V2941-Y3084 HydrophobicContact CG2-CD2 4.44Å; V2941-Y3084 HydrophobicContact CG2-CE1 4.35Å; V2941-Y3084 HydrophobicContact CG2-CG 4.08Å; F3079-Y3084 HydrophobicContact CE1-CE2 4.47Å; I3080-Y3084 HydrophobicContact CB-CD2 4.41Å; I3080-Y3084 HydrophobicContact CG1-CD2 4.26Å; I3080-Y3084 HydrophobicContact CG1-CE2 4.47Å; I3080-Y3084 HydrophobicContact CG2-CD2 4.27Å; I3080-Y3084 WeakPolarHBondContact O-CB 3.37Å; I3080-Y3084 PolarHBondContact O-N 3.25Å; I3080-Y3084 VanDerWaalsContact O-N 3.1Å; Y3084-V3086 PolarHBondContact O-N 2.71Å; Y3084-I3107 HydrophobicContact CD1-CD1 4.39Å; Y3084-I3107 HydrophobicContact CD1-CG2 3.99Å; Y3084-I3107 HydrophobicContact CE1-CD1 4.39Å; Y3084-L3109 HydrophobicContact CD1-CD2 3.75Å; Y3084-L3109 HydrophobicContact CE1-CD2 3.85Å |
| 3085 | G | 84.8 | Confident | 88.2 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 19% | 0.186 | 23% | 0.229 | C | C | . | . | trans | 71.4 | 32.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R3081 T3087 I3110 | R3081-G3085 VanDerWaalsContact O-CA 3.3Å; R3081-G3085 WeakPolarHBondContact O-CA 3.36Å; R3081-G3085 PolarHBondContact O-N 3.22Å; R3081-G3085 VanDerWaalsContact O-N 3.13Å; G3085-T3087 PolarHBondContact O-N 3.18Å; G3085-I3110 VanDerWaalsContact CA-CD1 3.48Å | ||
| 3086 | V | 86 | Confident | 88 | Confident | 6.66667 Ų | 6.66667 | 48.6 Ų | 48.6 | 4% | 0.04 | 24% | 0.239 | C | C | . | . | trans | -75.9 | 103.6 | 177.9 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | V2941 Y2942 A2945 I3080 R3081 Y3084 L3091 | V2941-V3086 HydrophobicContact CG1-CG2 3.68Å; Y2942-V3086 HydrophobicContact CD1-CG1 4.27Å; Y2942-V3086 HydrophobicContact CE1-CG1 3.82Å; Y2942-V3086 HydrophobicContact CE1-CG2 4.43Å; Y2942-V3086 HydrophobicContact CE2-CG2 4.42Å; A2945-V3086 HydrophobicContact CB-CG1 4.34Å; I3080-V3086 HydrophobicContact CG2-CB 4.34Å; I3080-V3086 HydrophobicContact CG2-CG2 3.81Å; R3081-V3086 HydrophobicContact CG-CB 4.47Å; R3081-V3086 WeakPolarHBondContact CG-O 3.41Å; R3081-V3086 PolarHBondContact O-N 3.43Å; Y3084-V3086 PolarHBondContact O-N 2.71Å; V3086-L3091 HydrophobicContact CG1-CB 4.21Å; V3086-L3091 HydrophobicContact CG1-CD1 4.46Å; V3086-L3091 HydrophobicContact CG1-CD2 4.41Å | ||
| 3087 | T | 86.8 | Confident | 87.6 | Confident | 40.6667 Ų | 40.6667 | 54 Ų | 54 | 25% | 0.249 | 28% | 0.276 | C | S | . | . | trans | -82.8 | 146.1 | 173.2 | 59.9 | 0 | 0 | 0 | 0 | 110.6 | G3085 S3089 K3090 L3091 E3168 | G3085-T3087 PolarHBondContact O-N 3.18Å; T3087-S3089 VanDerWaalsContact C-N 3.27Å; T3087-S3089 WeakPolarHBondContact CB-OG 3.41Å; T3087-S3089 PolarHBondContact O-N 3.02Å; T3087-S3089 PolarHBondContact OG1-OG 3.07Å; T3087-K3090 PolarHBondContact O-N 3.1Å; T3087-K3090 VanDerWaalsContact O-N 3.16Å; T3087-K3090 WeakPolarHBondContact OG1-CD 3.22Å; T3087-K3090 WeakPolarHBondContact OG1-CG 3.38Å; T3087-L3091 PolarHBondContact O-N 2.96Å; T3087-L3091 VanDerWaalsContact O-N 3.1Å; T3087-E3168 VanDerWaalsContact CB-OE1 3.3Å; T3087-E3168 WeakPolarHBondContact CB-OE1 3.37Å | ||
| 3088 | Y | 83.8 | Confident | 87.2 | Confident | 80 Ų | 80 | 55.1 Ų | 55.1 | 31% | 0.314 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.3 | -37.4 | -177.8 | 179.7 | -111.4 | 0 | 0 | 0 | 112.6 | K3090 L3091 K3092 T3165 | Y3088-K3090 PolarHBondContact O-N 3.12Å; Y3088-L3091 PolarHBondContact O-N 3.15Å; Y3088-K3092 HydrophobicContact CE1-CD 4.35Å; Y3088-K3092 VanDerWaalsContact CE1-CE 3.46Å; Y3088-K3092 VanDerWaalsContact CZ-CE 3.41Å; Y3088-K3092 WeakPolarHBondContact O-CB 3.31Å; Y3088-K3092 PolarHBondContact O-N 3.07Å; Y3088-K3092 VanDerWaalsContact OH-CE 3.26Å; Y3088-K3092 WeakPolarHBondContact OH-CE 3.14Å; Y3088-T3165 HydrophobicContact CD1-CG2 3.82Å; Y3088-T3165 HydrophobicContact CE1-CG2 3.5Å |
| 3089 | S | 85.5 | Confident | 86.6 | Confident | 55.3333 Ų | 55.3333 | 56.7 Ų | 56.7 | 39% | 0.387 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -50.2 | -60.3 | 170.6 | 43.1 | 0 | 0 | 0 | 0 | 112.7 | T3087 L3091 K3092 D3093 E3168 | T3087-S3089 VanDerWaalsContact C-N 3.27Å; T3087-S3089 WeakPolarHBondContact CB-OG 3.41Å; T3087-S3089 PolarHBondContact O-N 3.02Å; T3087-S3089 PolarHBondContact OG1-OG 3.07Å; S3089-L3091 VanDerWaalsContact C-N 3.28Å; S3089-L3091 PolarHBondContact O-N 3.01Å; S3089-L3091 VanDerWaalsContact O-N 3.09Å; S3089-K3092 WeakPolarHBondContact O-CA 3.46Å; S3089-K3092 WeakPolarHBondContact O-CB 3.32Å; S3089-K3092 PolarHBondContact O-N 2.95Å; S3089-K3092 VanDerWaalsContact O-N 3.17Å; S3089-D3093 VanDerWaalsContact O-CG 3.3Å; S3089-D3093 PolarHBondContact O-N 3.3Å; S3089-D3093 VanDerWaalsContact O-N 3.14Å; S3089-E3168 WeakPolarHBondContact CB-OE2 3.5Å; S3089-E3168 PolarHBondContact OG-OE2 3.29Å |
| 3090 | K | 87.9 | Confident | 85.7 | Confident | 95.3333 Ų | 95.3333 | 57.4 Ų | 57.4 | 41% | 0.414 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.2 | -25.3 | -179.8 | -64.5 | 172.2 | -167 | 157.5 | 0 | 113.5 | Y2942 T3087 Y3088 D3093 Y3094 | Y2942-K3090 HydrophobicContact CE1-CB 3.71Å; Y2942-K3090 WeakPolarHBondContact CE1-O 3.29Å; Y2942-K3090 VanDerWaalsContact OH-CB 3.26Å; Y2942-K3090 WeakPolarHBondContact OH-CB 3.38Å; Y2942-K3090 VanDerWaalsContact OH-CD 3.28Å; Y2942-K3090 WeakPolarHBondContact OH-CD 3.3Å; T3087-K3090 PolarHBondContact O-N 3.1Å; T3087-K3090 VanDerWaalsContact O-N 3.16Å; T3087-K3090 WeakPolarHBondContact OG1-CD 3.22Å; T3087-K3090 WeakPolarHBondContact OG1-CG 3.38Å; Y3088-K3090 PolarHBondContact O-N 3.12Å; K3090-D3093 WeakPolarHBondContact CA-OD2 3.21Å; K3090-D3093 PolarHBondContact O-N 3.19Å; K3090-Y3094 PolarHBondContact O-N 3.19Å |
| 3091 | L | 88.3 | Confident | 85.2 | Confident | 15.6667 Ų | 15.6667 | 65.7 Ų | 65.7 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -73.2 | -37.2 | 175.5 | -174.9 | 59.3 | 0 | 0 | 0 | 111.1 | Y2942 A2945 D2946 V3086 T3087 Y3088 S3089 D3093 Y3094 | Y2942-L3091 HydrophobicContact CD1-CD1 4.05Å; A2945-L3091 HydrophobicContact CB-CD1 3.7Å; A2945-L3091 HydrophobicContact CB-CD2 4.16Å; D2946-L3091 HydrophobicContact CB-CD1 4.29Å; V3086-L3091 HydrophobicContact CG1-CB 4.21Å; V3086-L3091 HydrophobicContact CG1-CD1 4.46Å; V3086-L3091 HydrophobicContact CG1-CD2 4.41Å; T3087-L3091 PolarHBondContact O-N 2.96Å; T3087-L3091 VanDerWaalsContact O-N 3.1Å; Y3088-L3091 PolarHBondContact O-N 3.15Å; S3089-L3091 VanDerWaalsContact C-N 3.28Å; S3089-L3091 PolarHBondContact O-N 3.01Å; S3089-L3091 VanDerWaalsContact O-N 3.09Å; L3091-D3093 VanDerWaalsContact C-N 3.31Å; L3091-Y3094 PolarHBondContact O-N 3.14Å |
| 3092 | K | 88.3 | Confident | 85 | Confident | 154 Ų | 154 | 66.7 Ų | 66.7 | 67% | 0.67 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -67.7 | -30.5 | 170.9 | -143.7 | 174.3 | 176.1 | 172.2 | 0 | 112.8 | Y3088 S3089 Y3094 | Y3088-K3092 HydrophobicContact CE1-CD 4.35Å; Y3088-K3092 VanDerWaalsContact CE1-CE 3.46Å; Y3088-K3092 VanDerWaalsContact CZ-CE 3.41Å; Y3088-K3092 WeakPolarHBondContact O-CB 3.31Å; Y3088-K3092 PolarHBondContact O-N 3.07Å; Y3088-K3092 VanDerWaalsContact OH-CE 3.26Å; Y3088-K3092 WeakPolarHBondContact OH-CE 3.14Å; S3089-K3092 WeakPolarHBondContact O-CA 3.46Å; S3089-K3092 WeakPolarHBondContact O-CB 3.32Å; S3089-K3092 PolarHBondContact O-N 2.95Å; S3089-K3092 VanDerWaalsContact O-N 3.17Å; K3092-Y3094 VanDerWaalsContact C-N 3.33Å; K3092-Y3094 PolarHBondContact O-N 3.11Å |
| 3093 | D | 88.4 | Confident | 84.9 | Confident | 114.667 Ų | 114.667 | 63.8 Ų | 63.8 | 61% | 0.613 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -10.4 | 175.6 | -59.8 | -31.3 | 0 | 0 | 0 | 113.8 | S3089 K3090 L3091 | S3089-D3093 VanDerWaalsContact O-CG 3.3Å; S3089-D3093 PolarHBondContact O-N 3.3Å; S3089-D3093 VanDerWaalsContact O-N 3.14Å; K3090-D3093 WeakPolarHBondContact CA-OD2 3.21Å; K3090-D3093 PolarHBondContact O-N 3.19Å; L3091-D3093 VanDerWaalsContact C-N 3.31Å |
| 3094 | Y | 91.7 | Very high | 84.8 | Confident | 12.3333 Ų | 12.3333 | 65.6 Ų | 65.6 | 5% | 0.048 | 35% | 0.347 | C | S | . | . | trans | -92.2 | 127.9 | -176.1 | 174 | -95.3 | 0 | 0 | 0 | 112.1 | R2891 D2939 Y2942 Y2943 D2946 K3090 L3091 K3092 P3096 W3103 | R2891-Y3094 PolarHBondContact NH2-OH 3.3Å; D2939-Y3094 PolarHBondContact O-OH 3.03Å; D2939-Y3094 PolarHBondContact OD1-OH 3.11Å; Y2942-Y3094 VanDerWaalsContact CB-CD2 3.47Å; Y2942-Y3094 HydrophobicContact CD1-CG 4.38Å; Y2942-Y3094 HydrophobicContact CG-CD2 4.24Å; Y2942-Y3094 HydrophobicContact CG-CG 4.36Å; Y2943-Y3094 WeakPolarHBondContact CB-OH 3.24Å; D2946-Y3094 HydrophobicContact CB-CD1 4.14Å; D2946-Y3094 HydrophobicContact CB-CE1 4.23Å; K3090-Y3094 PolarHBondContact O-N 3.19Å; L3091-Y3094 PolarHBondContact O-N 3.14Å; K3092-Y3094 VanDerWaalsContact C-N 3.33Å; K3092-Y3094 PolarHBondContact O-N 3.11Å; Y3094-P3096 HydrophobicContact CE1-CG 4.02Å; Y3094-W3103 AromaticContact CD2-CD1 3.94Å; Y3094-W3103 AromaticContact CD2-CD2 3.68Å; Y3094-W3103 HydrophobicContact CD2-CD2 3.68Å; Y3094-W3103 AromaticContact CD2-CE2 3.57Å; Y3094-W3103 HydrophobicContact CD2-CE3 4.15Å; Y3094-W3103 AromaticContact CD2-CG 3.95Å; Y3094-W3103 HydrophobicContact CD2-CG 3.95Å; Y3094-W3103 HydrophobicContact CD2-CH2 4.41Å; Y3094-W3103 AromaticContact CD2-CZ2 3.96Å; Y3094-W3103 HydrophobicContact CD2-CZ2 3.98Å; Y3094-W3103 HydrophobicContact CD2-CZ3 4.46Å; Y3094-W3103 AromaticContact CD2-NE1 3.71Å; Y3094-W3103 HydrophobicContact CE2-CB 4.42Å; Y3094-W3103 AromaticContact CE2-CD1 3.94Å; Y3094-W3103 HydrophobicContact CE2-CD2 4.19Å; Y3094-W3103 AromaticContact CE2-CG 3.95Å; Y3094-W3103 HydrophobicContact CE2-CG 3.99Å; Y3094-W3103 HydrophobicContact CG-CZ2 4.48Å | ||
| 3095 | S | 89.4 | Confident | 84.8 | Confident | 46 Ų | 46 | 69.7 Ų | 69.7 | 32% | 0.322 | 37% | 0.366 | S | S | . | . | trans | -115.7 | 133.2 | 166.1 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | S3097 D3098 | S3095-S3097 PolarHBondContact O-N 3.07Å; S3095-S3097 PolarHBondContact OG-N 3.11Å; S3095-D3098 PolarHBondContact N-OD2 3.28Å; S3095-D3098 VanDerWaalsContact O-CB 3.28Å; S3095-D3098 WeakPolarHBondContact O-CB 3.35Å; S3095-D3098 VanDerWaalsContact O-CG 3.3Å; S3095-D3098 PolarHBondContact O-N 3.22Å | ||
| 3096 | P | 86.4 | Confident | 85 | Confident | 38 Ų | 38 | 73.2 Ų | 73.2 | 25% | 0.247 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -25.4 | 169.4 | -29.4 | 36.6 | 0 | 0 | 0 | 114.4 | R2891 Y2943 D2946 Y3094 D3098 | R2891-P3096 PolarHBondContact NH1-O 3.25Å; R2891-P3096 PolarHBondContact NH2-O 3.13Å; R2891-P3096 VanDerWaalsContact NH2-O 3.15Å; Y2943-P3096 HydrophobicContact CD2-CB 4.16Å; Y2943-P3096 HydrophobicContact CD2-CG 4.27Å; Y2943-P3096 HydrophobicContact CE2-CB 4.03Å; Y2943-P3096 HydrophobicContact CE2-CG 4.34Å; D2946-P3096 WeakPolarHBondContact OD2-CG 3.35Å; Y3094-P3096 HydrophobicContact CE1-CG 4.02Å; P3096-D3098 VanDerWaalsContact C-N 3.34Å |
| 3097 | S | 85.3 | Confident | 84.9 | Confident | 112 Ų | 112 | 74.2 Ų | 74.2 | 78% | 0.783 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -6.1 | 178.9 | -60.1 | 0 | 0 | 0 | 0 | 114.1 | S3095 | S3095-S3097 PolarHBondContact O-N 3.07Å; S3095-S3097 PolarHBondContact OG-N 3.11Å |
| 3098 | D | 84.1 | Confident | 84.5 | Confident | 44.6667 Ų | 44.6667 | 79.4 Ų | 79.4 | 24% | 0.239 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -62.2 | 149.3 | -176.6 | -75.2 | -26.4 | 0 | 0 | 0 | 113.6 | R2887 S3095 P3096 S3100 W3103 | R2887-D3098 PolarHBondContact NH2-O 2.73Å; S3095-D3098 PolarHBondContact N-OD2 3.28Å; S3095-D3098 VanDerWaalsContact O-CB 3.28Å; S3095-D3098 WeakPolarHBondContact O-CB 3.35Å; S3095-D3098 VanDerWaalsContact O-CG 3.3Å; S3095-D3098 PolarHBondContact O-N 3.22Å; P3096-D3098 VanDerWaalsContact C-N 3.34Å; D3098-S3100 PolarHBondContact O-N 3.31Å; D3098-S3100 VanDerWaalsContact O-N 3.11Å; D3098-W3103 PolarHBondContact OD2-NE1 3.06Å |
| 3099 | V | 75.6 | Confident | 84 | Confident | 103.667 Ų | 103.667 | 79.5 Ų | 79.5 | 63% | 0.628 | 42% | 0.421 | S | S | * | . | trans | -59.1 | 114.3 | 172 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | K3101 I3102 | V3099-K3101 PolarHBondContact O-N 3Å; V3099-I3102 HydrophobicContact CB-CD1 4.45Å; V3099-I3102 WeakPolarHBondContact O-CG1 3.42Å; V3099-I3102 PolarHBondContact O-N 3.19Å; V3099-I3102 VanDerWaalsContact O-N 3.11Å | ||
| 3100 | S | 72.1 | Confident | 82.9 | Confident | 31.6667 Ų | 31.6667 | 80.4 Ų | 80.4 | 22% | 0.221 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -48.4 | -37.8 | -165.4 | -8.8 | 0 | 0 | 0 | 0 | 114.4 | R2887 D3098 I3102 W3103 E3104 | R2887-S3100 PolarHBondContact NH1-OG 3.17Å; D3098-S3100 PolarHBondContact O-N 3.31Å; D3098-S3100 VanDerWaalsContact O-N 3.11Å; S3100-I3102 PolarHBondContact O-N 2.88Å; S3100-W3103 CarbonylContact O-C 3.43Å; S3100-W3103 PolarHBondContact O-N 2.86Å; S3100-E3104 VanDerWaalsContact CB-CD 3.45Å; S3100-E3104 WeakPolarHBondContact CB-OE1 3.14Å; S3100-E3104 WeakPolarHBondContact CB-OE2 3.46Å; S3100-E3104 WeakPolarHBondContact O-CB 3.41Å; S3100-E3104 VanDerWaalsContact O-CG 3.31Å; S3100-E3104 WeakPolarHBondContact O-CG 3.35Å; S3100-E3104 PolarHBondContact O-N 3.09Å; S3100-E3104 PolarHBondContact OG-OE2 3.46Å |
| 3101 | K | 78.9 | Confident | 81.3 | Confident | 174.333 Ų | 174.333 | 85.1 Ų | 85.1 | 76% | 0.758 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -51.6 | -26.1 | 179.9 | -64.4 | -177.7 | 179.1 | 178.1 | 0 | 115.1 | V3099 E3104 | V3099-K3101 PolarHBondContact O-N 3Å; K3101-E3104 VanDerWaalsContact CA-OE2 3.31Å; K3101-E3104 WeakPolarHBondContact CA-OE2 3.25Å; K3101-E3104 PolarHBondContact N-OE2 3.32Å |
| 3102 | I | 83.2 | Confident | 79.3 | Confident | 84.3333 Ų | 84.3333 | 89.7 Ų | 89.7 | 43% | 0.432 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -69.7 | -39.7 | 178.2 | -61.3 | 172.6 | 0 | 0 | 0 | 110.7 | V3099 S3100 K3105 | V3099-I3102 HydrophobicContact CB-CD1 4.45Å; V3099-I3102 WeakPolarHBondContact O-CG1 3.42Å; V3099-I3102 PolarHBondContact O-N 3.19Å; V3099-I3102 VanDerWaalsContact O-N 3.11Å; S3100-I3102 PolarHBondContact O-N 2.88Å; I3102-K3105 WeakPolarHBondContact O-CD 3.33Å; I3102-K3105 VanDerWaalsContact O-CE 3.32Å; I3102-K3105 WeakPolarHBondContact O-CE 3.47Å; I3102-K3105 PolarHBondContact O-NZ 3.41Å |
| 3103 | W | 84.5 | Confident | 77.3 | Confident | 29 Ų | 29 | 88.2 Ų | 88.2 | 11% | 0.11 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -5.5 | -171 | -59 | 109.1 | 0 | 0 | 0 | 113.6 | V2937 L2938 D2939 Y2942 Y3094 D3098 S3100 K3105 | V2937-W3103 WeakPolarHBondContact CG1-O 3.36Å; L2938-W3103 HydrophobicContact CB-CE3 4.49Å; L2938-W3103 WeakPolarHBondContact CB-O 3.44Å; L2938-W3103 PolarHBondContact N-O 3.12Å; D2939-W3103 HydrophobicContact CB-CB 3.98Å; D2939-W3103 PolarHBondContact N-O 2.83Å; Y2942-W3103 HydrophobicContact CD1-CZ3 4.41Å; Y2942-W3103 HydrophobicContact CD2-CE3 4.29Å; Y2942-W3103 HydrophobicContact CD2-CZ3 4.2Å; Y2942-W3103 HydrophobicContact CE1-CZ3 4.39Å; Y2942-W3103 HydrophobicContact CE2-CZ3 4.19Å; Y2942-W3103 HydrophobicContact CG-CZ3 4.33Å; Y3094-W3103 AromaticContact CD2-CD1 3.94Å; Y3094-W3103 AromaticContact CD2-CD2 3.68Å; Y3094-W3103 HydrophobicContact CD2-CD2 3.68Å; Y3094-W3103 AromaticContact CD2-CE2 3.57Å; Y3094-W3103 HydrophobicContact CD2-CE3 4.15Å; Y3094-W3103 AromaticContact CD2-CG 3.95Å; Y3094-W3103 HydrophobicContact CD2-CG 3.95Å; Y3094-W3103 HydrophobicContact CD2-CH2 4.41Å; Y3094-W3103 AromaticContact CD2-CZ2 3.96Å; Y3094-W3103 HydrophobicContact CD2-CZ2 3.98Å; Y3094-W3103 HydrophobicContact CD2-CZ3 4.46Å; Y3094-W3103 AromaticContact CD2-NE1 3.71Å; Y3094-W3103 HydrophobicContact CE2-CB 4.42Å; Y3094-W3103 AromaticContact CE2-CD1 3.94Å; Y3094-W3103 HydrophobicContact CE2-CD2 4.19Å; Y3094-W3103 AromaticContact CE2-CG 3.95Å; Y3094-W3103 HydrophobicContact CE2-CG 3.99Å; Y3094-W3103 HydrophobicContact CG-CZ2 4.48Å; D3098-W3103 PolarHBondContact OD2-NE1 3.06Å; S3100-W3103 CarbonylContact O-C 3.43Å; S3100-W3103 PolarHBondContact O-N 2.86Å; W3103-K3105 PolarHBondContact O-N 3.05Å |
| 3104 | E | 83.6 | Confident | 75.4 | Confident | 94 Ų | 94 | 87.2 Ų | 87.2 | 44% | 0.439 | 47% | 0.473 | S | S | . | . | trans | -71.3 | 14.8 | 173.5 | -82.2 | 172.7 | 164.6 | 0 | 0 | 114.6 | R2890 D2939 S3100 K3101 | R2890-E3104 IonicContact NH2-OE1 3.93Å; R2890-E3104 PolarHBondContact NH2-OE1 2.98Å; D2939-E3104 HydrophobicContact CB-CG 4.36Å; S3100-E3104 VanDerWaalsContact CB-CD 3.45Å; S3100-E3104 WeakPolarHBondContact CB-OE1 3.14Å; S3100-E3104 WeakPolarHBondContact CB-OE2 3.46Å; S3100-E3104 WeakPolarHBondContact O-CB 3.41Å; S3100-E3104 VanDerWaalsContact O-CG 3.31Å; S3100-E3104 WeakPolarHBondContact O-CG 3.35Å; S3100-E3104 PolarHBondContact O-N 3.09Å; S3100-E3104 PolarHBondContact OG-OE2 3.46Å; K3101-E3104 VanDerWaalsContact CA-OE2 3.31Å; K3101-E3104 WeakPolarHBondContact CA-OE2 3.25Å; K3101-E3104 PolarHBondContact N-OE2 3.32Å | ||
| 3105 | K | 86.7 | Confident | 73.5 | Confident | 113.333 Ų | 113.333 | 89.2 Ų | 89.2 | 49% | 0.493 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -73 | 145.7 | 175.1 | -64.9 | 164.1 | -174.9 | 138.1 | 0 | 110.4 | V2937 L2938 I3102 W3103 | V2937-K3105 VanDerWaalsContact CA-O 3.24Å; V2937-K3105 WeakPolarHBondContact CA-O 3.25Å; V2937-K3105 WeakPolarHBondContact CB-O 3.33Å; L2938-K3105 HydrophobicContact CD1-CB 4.01Å; L2938-K3105 HydrophobicContact CD1-CD 4.5Å; L2938-K3105 HydrophobicContact CG-CB 4.35Å; L2938-K3105 PolarHBondContact N-O 3.11Å; I3102-K3105 WeakPolarHBondContact O-CD 3.33Å; I3102-K3105 VanDerWaalsContact O-CE 3.32Å; I3102-K3105 WeakPolarHBondContact O-CE 3.47Å; I3102-K3105 PolarHBondContact O-NZ 3.41Å; W3103-K3105 PolarHBondContact O-N 3.05Å |
| 3106 | P | 87.6 | Confident | 71.6 | Confident | 92.3333 Ų | 92.3333 | 89.9 Ų | 89.9 | 60% | 0.6 | 49% | 0.492 | S | S | * | . | B | Isolated β-bridge | trans | -67.3 | 146.7 | 176.1 | 28.8 | -35 | 0 | 0 | 0 | 111.8 | V2936 L3108 | V2936-P3106 CarbonylContact O-C 3.58Å; V2936-P3106 VanDerWaalsContact O-CA 3.29Å; V2936-P3106 WeakPolarHBondContact O-CA 3.4Å; P3106-L3108 PolarHBondContact O-N 2.93Å |
| 3107 | I | 85.1 | Confident | 70.4 | Confident | 27.3333 Ų | 27.3333 | 89 Ų | 89 | 14% | 0.14 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 130.4 | 174.7 | -63.4 | 164.2 | 0 | 0 | 0 | 109.8 | V2936 L2938 V2941 Y3084 L3109 | V2936-I3107 PolarHBondContact O-N 2.88Å; L2938-I3107 HydrophobicContact CD2-CG1 4.06Å; V2941-I3107 HydrophobicContact CG2-CD1 3.51Å; V2941-I3107 HydrophobicContact CG2-CG1 4.19Å; Y3084-I3107 HydrophobicContact CD1-CD1 4.39Å; Y3084-I3107 HydrophobicContact CD1-CG2 3.99Å; Y3084-I3107 HydrophobicContact CE1-CD1 4.39Å; I3107-L3109 HydrophobicContact CG2-CD2 3.93Å; I3107-L3109 HydrophobicContact CG2-CG 4.18Å |
| 3108 | L | 79.1 | Confident | 69.7 | Low | 150.333 Ų | 150.333 | 88.4 Ų | 88.4 | 79% | 0.787 | 47% | 0.474 | S | S | * | . | trans | -104.3 | 94.8 | 168 | -63.3 | 178.8 | 0 | 0 | 0 | 108.5 | P3106 I3110 | P3106-L3108 PolarHBondContact O-N 2.93Å; L3108-I3110 PolarHBondContact O-N 3.07Å | ||
| 3109 | L | 71.9 | Confident | 69.7 | Low | 81.3333 Ų | 81.3333 | 88.1 Ų | 88.1 | 43% | 0.426 | 47% | 0.472 | S | S | . | . | trans | -59.5 | 128.1 | 177.7 | -69 | 174.9 | 0 | 0 | 0 | 110.6 | Y3083 Y3084 I3107 K3111 | Y3083-L3109 HydrophobicContact CD1-CD2 4.07Å; Y3083-L3109 HydrophobicContact CE1-CD1 4.45Å; Y3083-L3109 HydrophobicContact CE1-CD2 3.6Å; Y3084-L3109 HydrophobicContact CD1-CD2 3.75Å; Y3084-L3109 HydrophobicContact CE1-CD2 3.85Å; I3107-L3109 HydrophobicContact CG2-CD2 3.93Å; I3107-L3109 HydrophobicContact CG2-CG 4.18Å; L3109-K3111 PolarHBondContact O-N 3.14Å | ||
| 3110 | I | 63.7 | Low | 70.3 | Confident | 74 Ų | 74 | 83.3 Ų | 83.3 | 38% | 0.379 | 44% | 0.442 | S | S | . | . | trans | -71.7 | 119.2 | 179.8 | -59.2 | -178.3 | 0 | 0 | 0 | 108.5 | G3085 L3108 Q3112 | G3085-I3110 VanDerWaalsContact CA-CD1 3.48Å; L3108-I3110 PolarHBondContact O-N 3.07Å; I3110-Q3112 HydrophobicContact CG2-CB 4.05Å; I3110-Q3112 HydrophobicContact CG2-CG 3.67Å; I3110-Q3112 PolarHBondContact O-N 3.12Å | ||
| 3111 | K | 53.1 | Low | 70.9 | Confident | 193.333 Ų | 193.333 | 84.9 Ų | 84.9 | 84% | 0.841 | 45% | 0.451 | S | S | * | . | trans | -76.5 | 53.4 | 172.6 | -69.8 | -170.9 | 174.2 | -174.8 | 0 | 111.9 | L3109 S3259 | L3109-K3111 PolarHBondContact O-N 3.14Å; K3111-S3259 PolarHBondContact NZ-OG 3.23Å | ||
| 3112 | Q | 47.4 | Very low | 71.2 | Confident | 113.667 Ų | 113.667 | 76.6 Ų | 76.6 | 53% | 0.531 | 42% | 0.415 | S | S | . | . | trans | -77.8 | 143 | 168.7 | -91.1 | 172 | -6.7 | 0 | 0 | 110 | I3110 S3114 | I3110-Q3112 HydrophobicContact CG2-CB 4.05Å; I3110-Q3112 HydrophobicContact CG2-CG 3.67Å; I3110-Q3112 PolarHBondContact O-N 3.12Å; Q3112-S3114 PolarHBondContact O-N 3Å | ||
| 3113 | S | 46 | Very low | 71.3 | Confident | 121.667 Ų | 121.667 | 72.8 Ų | 72.8 | 85% | 0.851 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | 49.7 | -160.7 | 46.4 | 0 | 0 | 0 | 0 | 115.4 | V3115 | S3113-V3115 PolarHBondContact O-N 3.06Š|
| 3114 | S | 49 | Very low | 71.2 | Confident | 94.6667 Ų | 94.6667 | 71.5 Ų | 71.5 | 66% | 0.662 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.3 | -43.1 | 175.1 | 51.7 | 0 | 0 | 0 | 0 | 115.9 | Q3112 Q3118 | Q3112-S3114 PolarHBondContact O-N 3Å; S3114-Q3118 PolarHBondContact O-NE2 2.69Å |
| 3115 | V | 50.7 | Low | 71.2 | Confident | 52.6667 Ų | 52.6667 | 67 Ų | 67 | 32% | 0.319 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -23.8 | -171.9 | -172.3 | 0 | 0 | 0 | 0 | 113.1 | S3113 G3117 Q3118 | S3113-V3115 PolarHBondContact O-N 3.06Å; V3115-G3117 PolarHBondContact O-N 3.27Å; V3115-Q3118 PolarHBondContact O-N 2.93Å; V3115-Q3118 VanDerWaalsContact O-N 3.16Å |
| 3116 | S | 50 | Low | 71.2 | Confident | 62.3333 Ų | 62.3333 | 61.7 Ų | 61.7 | 44% | 0.436 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 96 | -174.1 | -162.4 | 0 | 0 | 0 | 0 | 112.1 | ||
| 3117 | G | 60.2 | Low | 71 | Confident | 17.6667 Ų | 17.6667 | 58.4 Ų | 58.4 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 114.7 | 12.3 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | S2870 V2872 V3115 | S2870-G3117 VanDerWaalsContact O-CA 3.32Å; S2870-G3117 WeakPolarHBondContact O-CA 3.41Å; S2870-G3117 VanDerWaalsContact O-O 3.13Å; V2872-G3117 WeakPolarHBondContact CG2-O 3.42Å; V3115-G3117 PolarHBondContact O-N 3.27Å |
| 3118 | Q | 71.9 | Confident | 70.9 | Confident | 100.667 Ų | 100.667 | 57.2 Ų | 57.2 | 47% | 0.47 | 32% | 0.316 | S | S | . | . | trans | -98.9 | 145.2 | 174.4 | -147.8 | 179 | -6.1 | 0 | 0 | 112.2 | S3114 V3115 T3121 | S3114-Q3118 PolarHBondContact O-NE2 2.69Å; V3115-Q3118 PolarHBondContact O-N 2.93Å; V3115-Q3118 VanDerWaalsContact O-N 3.16Å; Q3118-T3121 PolarHBondContact NE2-OG1 3.36Å | ||
| 3119 | L | 83.5 | Confident | 71.2 | Confident | 37.6667 Ų | 37.6667 | 50.9 Ų | 50.9 | 20% | 0.197 | 28% | 0.282 | C | S | . | . | trans | -65 | 137.4 | 174.8 | -179.9 | 69.8 | 0 | 0 | 0 | 110.9 | R2848 A2850 V2872 T3121 | R2848-L3119 HydrophobicContact CG-CD2 4.47Å; A2850-L3119 HydrophobicContact CB-CD1 3.76Å; V2872-L3119 HydrophobicContact CG1-CB 4.35Å; V2872-L3119 HydrophobicContact CG1-CD1 3.92Å; V2872-L3119 HydrophobicContact CG2-CB 4.23Å; L3119-T3121 PolarHBondContact O-N 2.94Å; L3119-T3121 VanDerWaalsContact O-N 3.1Å; L3119-T3121 PolarHBondContact O-OG1 2.66Å | ||
| 3120 | M | 87.9 | Confident | 71.6 | Confident | 2.66667 Ų | 2.66667 | 47.2 Ų | 47.2 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | trans | -47.5 | 116.1 | 175.2 | -177 | -179.6 | 64.6 | 0 | 0 | 111.5 | R2848 A2927 A2931 H2932 L3072 T3075 I3076 F3079 L3122 | R2848-M3120 PolarHBondContact NH2-O 3.3Å; A2927-M3120 HydrophobicContact CB-CE 3.86Å; A2931-M3120 HydrophobicContact CB-CB 4.36Å; A2931-M3120 HydrophobicContact CB-CE 4.16Å; A2931-M3120 HydrophobicContact CB-SD 3.81Å; H2932-M3120 VanDerWaalsContact CE1-CB 3.48Å; H2932-M3120 WeakPolarHBondContact CE1-CB 3.35Å; H2932-M3120 PolarHBondContact CE1-N 2.86Å; H2932-M3120 PolarHBondContact NE2-N 3.11Å; H2932-M3120 VanDerWaalsContact NE2-N 3.14Å; L3072-M3120 HydrophobicContact CD1-CE 4.47Å; T3075-M3120 HydrophobicContact CG2-CE 4.46Å; T3075-M3120 HydrophobicContact CG2-CG 3.84Å; T3075-M3120 HydrophobicContact CG2-SD 3.92Å; I3076-M3120 HydrophobicContact CB-SD 4.42Å; I3076-M3120 HydrophobicContact CG1-CE 4.24Å; I3076-M3120 HydrophobicContact CG1-SD 3.96Å; F3079-M3120 HydrophobicContact CB-CG 4.11Å; F3079-M3120 HydrophobicContact CB-SD 4.18Å; F3079-M3120 HydrophobicContact CD2-CB 3.86Å; F3079-M3120 HydrophobicContact CD2-CG 4.1Å; F3079-M3120 HydrophobicContact CE2-CB 4.2Å; F3079-M3120 HydrophobicContact CG-CB 4.29Å; F3079-M3120 HydrophobicContact CG-CG 4.21Å; F3079-M3120 HydrophobicContact CG-SD 4.45Å; M3120-L3122 HydrophobicContact CE-CD2 3.93Å; M3120-L3122 PolarHBondContact O-N 3.14Å | ||
| 3121 | T | 85.2 | Confident | 72.4 | Confident | 64.6667 Ų | 64.6667 | 46.6 Ų | 46.6 | 40% | 0.397 | 26% | 0.258 | S | S | . | . | trans | -83.2 | 117.5 | -178.8 | -63.3 | 0 | 0 | 0 | 0 | 109.3 | S3020 T3075 Q3118 L3119 | S3020-T3121 WeakPolarHBondContact OG-CG2 3.44Å; T3075-T3121 VanDerWaalsContact CG2-O 3.31Å; T3075-T3121 WeakPolarHBondContact CG2-O 3.29Å; Q3118-T3121 PolarHBondContact NE2-OG1 3.36Å; L3119-T3121 PolarHBondContact O-N 2.94Å; L3119-T3121 VanDerWaalsContact O-N 3.1Å; L3119-T3121 PolarHBondContact O-OG1 2.66Å | ||
| 3122 | L | 85.6 | Confident | 73.6 | Confident | 0.666667 Ų | 0.666667 | 39.3 Ų | 39.3 | 0% | 0.003 | 23% | 0.228 | C | C | . | . | trans | -77.5 | 144.1 | 175.5 | -45.2 | 170.7 | 0 | 0 | 0 | 109.9 | I2924 L3072 T3075 M3120 V3126 Y3127 | I2924-L3122 HydrophobicContact CD1-CD1 4.09Å; I2924-L3122 HydrophobicContact CG1-CD1 4.16Å; I2924-L3122 HydrophobicContact CG2-CD1 3.75Å; I2924-L3122 HydrophobicContact CG2-CD2 4.48Å; L3072-L3122 HydrophobicContact CD1-CD2 3.68Å; T3075-L3122 HydrophobicContact CG2-CD2 4.45Å; M3120-L3122 HydrophobicContact CE-CD2 3.93Å; M3120-L3122 PolarHBondContact O-N 3.14Å; L3122-V3126 HydrophobicContact CB-CB 4.44Å; L3122-V3126 HydrophobicContact CD1-CG1 4.24Å; L3122-Y3127 HydrophobicContact CB-CD2 4Å; L3122-Y3127 HydrophobicContact CB-CE2 3.68Å; L3122-Y3127 HydrophobicContact CD1-CD2 4.35Å; L3122-Y3127 HydrophobicContact CD1-CE2 3.85Å; L3122-Y3127 HydrophobicContact CG-CE2 4.17Å | ||
| 3123 | S | 83.6 | Confident | 74.7 | Confident | 5 Ų | 5 | 38 Ų | 38 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -60 | 144.4 | 170.7 | 149.6 | 0 | 0 | 0 | 0 | 111.4 | F3017 I3125 V3126 Y3127 | F3017-S3123 VanDerWaalsContact O-CB 3.22Å; F3017-S3123 WeakPolarHBondContact O-CB 3.36Å; F3017-S3123 PolarHBondContact O-OG 2.91Å; S3123-I3125 PolarHBondContact O-N 2.96Å; S3123-I3125 VanDerWaalsContact O-N 3.12Å; S3123-I3125 PolarHBondContact OG-N 2.91Å; S3123-V3126 PolarHBondContact O-N 3.06Å; S3123-V3126 VanDerWaalsContact O-N 3.1Å; S3123-V3126 PolarHBondContact OG-N 2.89Å; S3123-Y3127 PolarHBondContact O-N 3.1Å |
| 3124 | C | 82.6 | Confident | 75.9 | Confident | 0.666667 Ų | 0.666667 | 34.1 Ų | 34.1 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.9 | -33.7 | 175.5 | 161.6 | 0 | 0 | 0 | 0 | 113 | T3019 M3024 M3027 V3126 Y3127 Q3128 | T3019-C3124 VanDerWaalsContact CB-SG 3.57Å; T3019-C3124 HydrophobicContact CG2-CB 4.23Å; T3019-C3124 VanDerWaalsContact CG2-SG 3.6Å; T3019-C3124 WeakPolarHBondContact O-CB 3.32Å; T3019-C3124 PolarHBondContact O-N 3.21Å; T3019-C3124 VanDerWaalsContact O-N 3.16Å; T3019-C3124 PolarHBondContact O-SG 2.99Å; M3024-C3124 WeakPolarHBondContact CA-SG 3.4Å; M3027-C3124 HydrophobicContact CE-CB 3.8Å; M3027-C3124 WeakPolarHBondContact CE-SG 3.17Å; M3027-C3124 HydrophobicContact SD-CB 4.01Å; M3027-C3124 PolarHBondContact SD-SG 3.45Å; C3124-V3126 VanDerWaalsContact C-N 3.33Å; C3124-V3126 PolarHBondContact O-N 3.04Å; C3124-Y3127 WeakPolarHBondContact O-CB 3.34Å; C3124-Y3127 PolarHBondContact O-N 3.38Å; C3124-Y3127 VanDerWaalsContact O-N 3.13Å; C3124-Q3128 PolarHBondContact O-N 3.06Å; C3124-Q3128 VanDerWaalsContact O-N 3.08Å |
| 3125 | I | 84.7 | Confident | 77.3 | Confident | 1.33333 Ų | 1.33333 | 31 Ų | 31 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.9 | -47.7 | 176.8 | -60.9 | 173.6 | 0 | 0 | 0 | 110.9 | M3027 L3071 S3123 Y3127 Q3128 Y3129 H3150 V3153 | M3027-I3125 HydrophobicContact CE-CG1 4.34Å; M3027-I3125 HydrophobicContact SD-CG1 4.4Å; L3071-I3125 HydrophobicContact CD1-CB 4.25Å; L3071-I3125 HydrophobicContact CD1-CD1 4.45Å; L3071-I3125 HydrophobicContact CD1-CG2 3.57Å; S3123-I3125 PolarHBondContact O-N 2.96Å; S3123-I3125 VanDerWaalsContact O-N 3.12Å; S3123-I3125 PolarHBondContact OG-N 2.91Å; I3125-Y3127 VanDerWaalsContact C-N 3.27Å; I3125-Y3127 PolarHBondContact O-N 3.19Å; I3125-Q3128 WeakPolarHBondContact O-CB 3.46Å; I3125-Q3128 PolarHBondContact O-N 3.2Å; I3125-Q3128 VanDerWaalsContact O-N 3.11Å; I3125-Y3129 HydrophobicContact CG2-CD2 4.08Å; I3125-Y3129 HydrophobicContact CG2-CE2 3.82Å; I3125-Y3129 VanDerWaalsContact O-CD2 3.32Å; I3125-Y3129 WeakPolarHBondContact O-CD2 3.44Å; I3125-Y3129 PolarHBondContact O-N 3.1Å; I3125-H3150 HydrophobicContact CG2-CB 4.37Å; I3125-V3153 HydrophobicContact CD1-CB 4.07Å; I3125-V3153 HydrophobicContact CD1-CG1 3.85Å; I3125-V3153 HydrophobicContact CD1-CG2 4.11Å |
| 3126 | V | 86.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.9 | -39.3 | 179.6 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | I2924 L3071 L3122 S3123 C3124 Y3129 V3130 | I2924-V3126 HydrophobicContact CD1-CG1 4.04Å; I2924-V3126 HydrophobicContact CG1-CG1 4.31Å; L3071-V3126 HydrophobicContact CB-CG2 4.01Å; L3122-V3126 HydrophobicContact CB-CB 4.44Å; L3122-V3126 HydrophobicContact CD1-CG1 4.24Å; S3123-V3126 PolarHBondContact O-N 3.06Å; S3123-V3126 VanDerWaalsContact O-N 3.1Å; S3123-V3126 PolarHBondContact OG-N 2.89Å; C3124-V3126 VanDerWaalsContact C-N 3.33Å; C3124-V3126 PolarHBondContact O-N 3.04Å; V3126-Y3129 PolarHBondContact O-N 3.02Å; V3126-V3130 WeakPolarHBondContact O-CG2 3.34Å; V3126-V3130 PolarHBondContact O-N 2.99Å |
| 3127 | Y | 82.7 | Confident | 79.2 | Confident | 24.3333 Ų | 24.3333 | 29.4 Ų | 29.4 | 10% | 0.095 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65 | -38.8 | 174.9 | -85.8 | -83.8 | 0 | 0 | 0 | 113 | I2846 Y3021 L3122 S3123 C3124 I3125 Y3129 V3130 F3131 | I2846-Y3127 HydrophobicContact CD1-CD1 3.42Å; I2846-Y3127 VanDerWaalsContact CD1-CD1 3.47Å; I2846-Y3127 HydrophobicContact CD1-CE1 3.49Å; I2846-Y3127 HydrophobicContact CD1-CG 4.44Å; I2846-Y3127 HydrophobicContact CG1-CE1 4.5Å; Y3021-Y3127 VanDerWaalsContact CB-CE2 3.45Å; Y3021-Y3127 HydrophobicContact CD1-CD2 4.35Å; Y3021-Y3127 AromaticContact CD1-CE2 3.53Å; Y3021-Y3127 HydrophobicContact CD1-CE2 3.53Å; Y3021-Y3127 AromaticContact CD1-CZ 3.9Å; Y3021-Y3127 AromaticContact CD2-CD1 3.74Å; Y3021-Y3127 HydrophobicContact CD2-CD1 3.74Å; Y3021-Y3127 HydrophobicContact CD2-CD2 4.11Å; Y3021-Y3127 HydrophobicContact CD2-CE1 4.3Å; Y3021-Y3127 AromaticContact CD2-CE2 4Å; Y3021-Y3127 HydrophobicContact CD2-CE2 4.18Å; Y3021-Y3127 AromaticContact CD2-CG 3.69Å; Y3021-Y3127 HydrophobicContact CD2-CG 3.69Å; Y3021-Y3127 AromaticContact CD2-CZ 3.93Å; Y3021-Y3127 HydrophobicContact CE1-CE2 4.39Å; Y3021-Y3127 HydrophobicContact CE2-CD1 4.26Å; Y3021-Y3127 HydrophobicContact CG-CD1 4.12Å; Y3021-Y3127 AromaticContact CG-CD2 3.83Å; Y3021-Y3127 HydrophobicContact CG-CD2 3.91Å; Y3021-Y3127 HydrophobicContact CG-CE1 4.32Å; Y3021-Y3127 AromaticContact CG-CE2 3.32Å; Y3021-Y3127 HydrophobicContact CG-CE2 3.55Å; Y3021-Y3127 HydrophobicContact CG-CG 4.29Å; Y3021-Y3127 AromaticContact CG-CZ 3.68Å; L3122-Y3127 HydrophobicContact CB-CD2 4Å; L3122-Y3127 HydrophobicContact CB-CE2 3.68Å; L3122-Y3127 HydrophobicContact CD1-CD2 4.35Å; L3122-Y3127 HydrophobicContact CD1-CE2 3.85Å; L3122-Y3127 HydrophobicContact CG-CE2 4.17Å; S3123-Y3127 PolarHBondContact O-N 3.1Å; C3124-Y3127 WeakPolarHBondContact O-CB 3.34Å; C3124-Y3127 PolarHBondContact O-N 3.38Å; C3124-Y3127 VanDerWaalsContact O-N 3.13Å; I3125-Y3127 VanDerWaalsContact C-N 3.27Å; I3125-Y3127 PolarHBondContact O-N 3.19Å; Y3127-Y3129 VanDerWaalsContact C-N 3.34Å; Y3127-Y3129 PolarHBondContact O-N 3.04Å; Y3127-V3130 PolarHBondContact O-N 3.1Å; Y3127-V3130 VanDerWaalsContact O-N 3.12Å; Y3127-F3131 HydrophobicContact CD1-CD2 4.22Å; Y3127-F3131 AromaticContact CD1-CE2 3.5Å; Y3127-F3131 HydrophobicContact CD1-CE2 3.5Å; Y3127-F3131 VanDerWaalsContact CD1-CE2 3.48Å; Y3127-F3131 HydrophobicContact CD1-CZ 4.19Å; Y3127-F3131 HydrophobicContact CE1-CE2 4.28Å; Y3127-F3131 HydrophobicContact CG-CE2 4.31Å; Y3127-F3131 VanDerWaalsContact O-CD2 3.28Å; Y3127-F3131 WeakPolarHBondContact O-CD2 3.42Å; Y3127-F3131 PolarHBondContact O-N 3.36Å |
| 3128 | Q | 83.5 | Confident | 79.7 | Confident | 1.33333 Ų | 1.33333 | 30.1 Ų | 30.1 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.5 | -44.5 | 176.1 | -67.8 | -166.5 | -23.1 | 0 | 0 | 111.9 | M3027 D3031 C3124 I3125 V3130 F3131 N3132 W3135 H3150 | M3027-Q3128 HydrophobicContact SD-CG 4.43Å; D3031-Q3128 PolarHBondContact OD2-NE2 2.88Å; C3124-Q3128 PolarHBondContact O-N 3.06Å; C3124-Q3128 VanDerWaalsContact O-N 3.08Å; I3125-Q3128 WeakPolarHBondContact O-CB 3.46Å; I3125-Q3128 PolarHBondContact O-N 3.2Å; I3125-Q3128 VanDerWaalsContact O-N 3.11Å; Q3128-V3130 VanDerWaalsContact C-N 3.31Å; Q3128-V3130 PolarHBondContact O-N 3.03Å; Q3128-F3131 PolarHBondContact O-N 3.11Å; Q3128-N3132 VanDerWaalsContact O-CB 3.25Å; Q3128-N3132 WeakPolarHBondContact O-CB 3.33Å; Q3128-N3132 VanDerWaalsContact O-CG 3.32Å; Q3128-N3132 PolarHBondContact O-N 3.24Å; Q3128-N3132 PolarHBondContact O-ND2 3.28Å; Q3128-W3135 HydrophobicContact CB-CE3 4.43Å; Q3128-W3135 HydrophobicContact CB-CH2 3.95Å; Q3128-W3135 HydrophobicContact CB-CZ3 3.6Å; Q3128-W3135 HydrophobicContact CG-CH2 4.46Å; Q3128-W3135 VanDerWaalsContact OE1-CH2 3.3Å; Q3128-H3150 PolarHBondContact OE1-CE1 3.23Å; Q3128-H3150 VanDerWaalsContact OE1-CE1 3.24Å; Q3128-H3150 PolarHBondContact OE1-NE2 2.9Å; Q3128-H3150 VanDerWaalsContact OE1-NE2 3.14Å |
| 3129 | Y | 84.9 | Confident | 79.6 | Confident | 19 Ų | 19 | 30 Ų | 30 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.8 | -24.8 | 176.6 | -77.9 | -83.4 | 0 | 0 | 0 | 113.9 | V3064 P3068 I3125 V3126 Y3127 W3135 P3142 H3150 | V3064-Y3129 HydrophobicContact CG2-CE1 4.5Å; P3068-Y3129 HydrophobicContact CB-CD2 4.49Å; P3068-Y3129 HydrophobicContact CB-CG 4.47Å; P3068-Y3129 HydrophobicContact CG-CD1 3.8Å; P3068-Y3129 HydrophobicContact CG-CD2 3.73Å; P3068-Y3129 HydrophobicContact CG-CE1 4.13Å; P3068-Y3129 HydrophobicContact CG-CE2 4.06Å; P3068-Y3129 HydrophobicContact CG-CG 3.59Å; I3125-Y3129 HydrophobicContact CG2-CD2 4.08Å; I3125-Y3129 HydrophobicContact CG2-CE2 3.82Å; I3125-Y3129 VanDerWaalsContact O-CD2 3.32Å; I3125-Y3129 WeakPolarHBondContact O-CD2 3.44Å; I3125-Y3129 PolarHBondContact O-N 3.1Å; V3126-Y3129 PolarHBondContact O-N 3.02Å; Y3127-Y3129 VanDerWaalsContact C-N 3.34Å; Y3127-Y3129 PolarHBondContact O-N 3.04Å; Y3129-W3135 HydrophobicContact CD1-CB 4.48Å; Y3129-W3135 AromaticContact CD1-CE3 3.91Å; Y3129-W3135 HydrophobicContact CD1-CE3 3.91Å; Y3129-W3135 HydrophobicContact CD2-CE3 4.44Å; Y3129-W3135 HydrophobicContact CD2-CZ3 4.46Å; Y3129-W3135 HydrophobicContact CE1-CE3 4.11Å; Y3129-W3135 HydrophobicContact CG-CE3 4.16Å; Y3129-W3135 HydrophobicContact CG-CZ3 4.48Å; Y3129-P3142 HydrophobicContact CE1-CG 4.22Å; Y3129-H3150 AromaticContact CE2-CE1 3.89Å; Y3129-H3150 AromaticContact CE2-ND1 3.42Å; Y3129-H3150 VanDerWaalsContact CE2-ND1 3.33Å; Y3129-H3150 WeakPolarHBondContact CE2-ND1 3.3Å; Y3129-H3150 AromaticContact CZ-ND1 3.7Å; Y3129-H3150 PolarHBondContact OH-ND1 3.07Å; Y3129-H3150 VanDerWaalsContact OH-ND1 3.12Å |
| 3130 | V | 81.3 | Confident | 78.9 | Confident | 2.33333 Ų | 2.33333 | 35.5 Ų | 35.5 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -83.7 | -38.3 | 175.4 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | I2846 Q2917 L2920 I2924 V3126 Y3127 Q3128 | I2846-V3130 HydrophobicContact CD1-CB 3.84Å; I2846-V3130 HydrophobicContact CD1-CG1 3.57Å; I2846-V3130 VanDerWaalsContact CD1-CG1 3.47Å; I2846-V3130 HydrophobicContact CD1-CG2 4.16Å; I2846-V3130 HydrophobicContact CG1-CB 4.46Å; I2846-V3130 HydrophobicContact CG1-CG1 3.7Å; Q2917-V3130 HydrophobicContact CG-CG1 3.95Å; Q2917-V3130 PolarHBondContact NE2-O 3Å; L2920-V3130 HydrophobicContact CB-CG2 4.36Å; L2920-V3130 HydrophobicContact CD2-CG2 3.51Å; L2920-V3130 VanDerWaalsContact CD2-CG2 3.48Å; L2920-V3130 HydrophobicContact CG-CG2 3.69Å; I2924-V3130 HydrophobicContact CD1-CG2 3.76Å; V3126-V3130 WeakPolarHBondContact O-CG2 3.34Å; V3126-V3130 PolarHBondContact O-N 2.99Å; Y3127-V3130 PolarHBondContact O-N 3.1Å; Y3127-V3130 VanDerWaalsContact O-N 3.12Å; Q3128-V3130 VanDerWaalsContact C-N 3.31Å; Q3128-V3130 PolarHBondContact O-N 3.03Å |
| 3131 | F | 79.3 | Confident | 78.3 | Confident | 62.6667 Ų | 62.6667 | 35.8 Ų | 35.8 | 28% | 0.275 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -81.2 | -32.8 | -177.8 | -73.9 | -61.4 | 0 | 0 | 0 | 113.8 | L2845 I2846 Y3021 M3024 Y3127 Q3128 T3133 | L2845-F3131 HydrophobicContact CB-CE1 3.97Å; L2845-F3131 HydrophobicContact CD1-CD1 3.94Å; L2845-F3131 HydrophobicContact CD1-CE1 4.07Å; L2845-F3131 HydrophobicContact CD2-CD1 4.23Å; L2845-F3131 HydrophobicContact CD2-CE1 3.98Å; L2845-F3131 HydrophobicContact CG-CE1 4.3Å; I2846-F3131 HydrophobicContact CD1-CE2 4.46Å; I2846-F3131 HydrophobicContact CD1-CZ 4.39Å; Y3021-F3131 HydrophobicContact CD2-CE2 4.08Å; Y3021-F3131 HydrophobicContact CE2-CD2 4.39Å; Y3021-F3131 AromaticContact CE2-CE2 3.45Å; Y3021-F3131 HydrophobicContact CE2-CE2 3.45Å; Y3021-F3131 VanDerWaalsContact CE2-CE2 3.45Å; Y3021-F3131 HydrophobicContact CE2-CZ 4.04Å; M3024-F3131 HydrophobicContact CE-CD2 3.78Å; M3024-F3131 HydrophobicContact CE-CE2 3.74Å; M3024-F3131 VanDerWaalsContact CE-CE2 3.49Å; M3024-F3131 HydrophobicContact CE-CG 4.47Å; M3024-F3131 HydrophobicContact CE-CZ 4.29Å; M3024-F3131 HydrophobicContact SD-CD2 3.48Å; M3024-F3131 VanDerWaalsContact SD-CD2 3.52Å; M3024-F3131 WeakPolarHBondContact SD-CD2 3.21Å; M3024-F3131 HydrophobicContact SD-CE2 3.84Å; M3024-F3131 HydrophobicContact SD-CG 4.47Å; Y3127-F3131 HydrophobicContact CD1-CD2 4.22Å; Y3127-F3131 AromaticContact CD1-CE2 3.5Å; Y3127-F3131 HydrophobicContact CD1-CE2 3.5Å; Y3127-F3131 VanDerWaalsContact CD1-CE2 3.48Å; Y3127-F3131 HydrophobicContact CD1-CZ 4.19Å; Y3127-F3131 HydrophobicContact CE1-CE2 4.28Å; Y3127-F3131 HydrophobicContact CG-CE2 4.31Å; Y3127-F3131 VanDerWaalsContact O-CD2 3.28Å; Y3127-F3131 WeakPolarHBondContact O-CD2 3.42Å; Y3127-F3131 PolarHBondContact O-N 3.36Å; Q3128-F3131 PolarHBondContact O-N 3.11Å; F3131-T3133 VanDerWaalsContact C-N 3.31Å; F3131-T3133 PolarHBondContact O-N 3.26Å; F3131-T3133 VanDerWaalsContact O-N 3.07Å |
| 3132 | N | 78.9 | Confident | 78.3 | Confident | 40 Ų | 40 | 32.7 Ų | 32.7 | 21% | 0.214 | 19% | 0.186 | C | C | . | . | trans | -88.1 | 75.5 | -178.3 | -62.1 | -31 | 0 | 0 | 0 | 110 | Q3128 G3134 W3135 | Q3128-N3132 VanDerWaalsContact O-CB 3.25Å; Q3128-N3132 WeakPolarHBondContact O-CB 3.33Å; Q3128-N3132 VanDerWaalsContact O-CG 3.32Å; Q3128-N3132 PolarHBondContact O-N 3.24Å; Q3128-N3132 PolarHBondContact O-ND2 3.28Å; N3132-G3134 PolarHBondContact O-N 3Å; N3132-G3134 VanDerWaalsContact O-N 3.1Å; N3132-W3135 HydrophobicContact CB-CB 4.36Å; N3132-W3135 HydrophobicContact CB-CD2 3.56Å; N3132-W3135 HydrophobicContact CB-CE3 4.07Å; N3132-W3135 HydrophobicContact CB-CG 3.68Å; N3132-W3135 HydrophobicContact CB-CZ2 4.38Å; N3132-W3135 VanDerWaalsContact ND2-CH2 3.26Å; N3132-W3135 WeakPolarHBondContact ND2-CH2 3.27Å; N3132-W3135 VanDerWaalsContact ND2-CZ2 3.31Å; N3132-W3135 WeakPolarHBondContact ND2-CZ2 3.44Å; N3132-W3135 VanDerWaalsContact O-CB 3.23Å; N3132-W3135 WeakPolarHBondContact O-CB 3.35Å; N3132-W3135 PolarHBondContact O-N 3.36Å | ||
| 3133 | T | 69.3 | Low | 78.2 | Confident | 86 Ų | 86 | 35.3 Ų | 35.3 | 53% | 0.528 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -53.4 | -33.1 | -172.9 | 55.6 | 0 | 0 | 0 | 0 | 114.6 | Q2917 F3131 W3135 S3136 | Q2917-T3133 VanDerWaalsContact OE1-CG2 3.26Å; F3131-T3133 VanDerWaalsContact C-N 3.31Å; F3131-T3133 PolarHBondContact O-N 3.26Å; F3131-T3133 VanDerWaalsContact O-N 3.07Å; T3133-W3135 PolarHBondContact O-N 3.22Å; T3133-S3136 PolarHBondContact O-N 2.85Å; T3133-S3136 PolarHBondContact O-OG 3.19Å; T3133-S3136 VanDerWaalsContact O-OG 3.07Å |
| 3134 | G | 71.1 | Confident | 78.3 | Confident | 39.3333 Ų | 39.3333 | 37 Ų | 37 | 41% | 0.405 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -64.8 | -16.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115 | N3132 S3136 D3137 K3140 | N3132-G3134 PolarHBondContact O-N 3Å; N3132-G3134 VanDerWaalsContact O-N 3.1Å; G3134-S3136 VanDerWaalsContact C-N 3.28Å; G3134-S3136 PolarHBondContact O-N 2.97Å; G3134-S3136 VanDerWaalsContact O-N 3.14Å; G3134-D3137 PolarHBondContact O-N 3.14Å; G3134-K3140 CarbonylContact O-C 3.24Å |
| 3135 | W | 79.8 | Confident | 78.4 | Confident | 30.3333 Ų | 30.3333 | 38.4 Ų | 38.4 | 12% | 0.115 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -70.1 | -11.7 | -179.1 | -75.3 | 8.8 | 0 | 0 | 0 | 114.4 | V3064 Q3128 Y3129 N3132 T3133 P3142 I3146 H3150 | V3064-W3135 WeakPolarHBondContact CG1-O 3.38Å; Q3128-W3135 HydrophobicContact CB-CE3 4.43Å; Q3128-W3135 HydrophobicContact CB-CH2 3.95Å; Q3128-W3135 HydrophobicContact CB-CZ3 3.6Å; Q3128-W3135 HydrophobicContact CG-CH2 4.46Å; Q3128-W3135 VanDerWaalsContact OE1-CH2 3.3Å; Y3129-W3135 HydrophobicContact CD1-CB 4.48Å; Y3129-W3135 AromaticContact CD1-CE3 3.91Å; Y3129-W3135 HydrophobicContact CD1-CE3 3.91Å; Y3129-W3135 HydrophobicContact CD2-CE3 4.44Å; Y3129-W3135 HydrophobicContact CD2-CZ3 4.46Å; Y3129-W3135 HydrophobicContact CE1-CE3 4.11Å; Y3129-W3135 HydrophobicContact CG-CE3 4.16Å; Y3129-W3135 HydrophobicContact CG-CZ3 4.48Å; N3132-W3135 HydrophobicContact CB-CB 4.36Å; N3132-W3135 HydrophobicContact CB-CD2 3.56Å; N3132-W3135 HydrophobicContact CB-CE3 4.07Å; N3132-W3135 HydrophobicContact CB-CG 3.68Å; N3132-W3135 HydrophobicContact CB-CZ2 4.38Å; N3132-W3135 VanDerWaalsContact ND2-CH2 3.26Å; N3132-W3135 WeakPolarHBondContact ND2-CH2 3.27Å; N3132-W3135 VanDerWaalsContact ND2-CZ2 3.31Å; N3132-W3135 WeakPolarHBondContact ND2-CZ2 3.44Å; N3132-W3135 VanDerWaalsContact O-CB 3.23Å; N3132-W3135 WeakPolarHBondContact O-CB 3.35Å; N3132-W3135 PolarHBondContact O-N 3.36Å; T3133-W3135 PolarHBondContact O-N 3.22Å; W3135-P3142 HydrophobicContact CD2-CB 3.79Å; W3135-P3142 HydrophobicContact CD2-CG 4.37Å; W3135-P3142 HydrophobicContact CE3-CB 4.03Å; W3135-P3142 HydrophobicContact CE3-CG 4.22Å; W3135-P3142 HydrophobicContact CG-CB 4.22Å; W3135-P3142 HydrophobicContact CG-CG 4.31Å; W3135-P3142 HydrophobicContact CH2-CB 4.36Å; W3135-P3142 HydrophobicContact CZ2-CB 4.15Å; W3135-P3142 HydrophobicContact CZ3-CB 4.3Å; W3135-I3146 HydrophobicContact CH2-CD1 4.37Å; W3135-I3146 HydrophobicContact CH2-CG2 3.8Å; W3135-I3146 HydrophobicContact CZ2-CD1 4.16Å; W3135-I3146 HydrophobicContact CZ2-CG2 4.33Å; W3135-I3146 HydrophobicContact CZ3-CG2 4.35Å; W3135-H3150 AromaticContact CZ3-CE1 3.87Å |
| 3136 | S | 69.1 | Low | 78.4 | Confident | 33.3333 Ų | 33.3333 | 38.8 Ų | 38.8 | 23% | 0.233 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -74.6 | -28.1 | 176.2 | 63.6 | 0 | 0 | 0 | 0 | 113.8 | Y3065 T3133 G3134 V3138 | Y3065-S3136 PolarHBondContact OH-O 3.25Å; T3133-S3136 PolarHBondContact O-N 2.85Å; T3133-S3136 PolarHBondContact O-OG 3.19Å; T3133-S3136 VanDerWaalsContact O-OG 3.07Å; G3134-S3136 VanDerWaalsContact C-N 3.28Å; G3134-S3136 PolarHBondContact O-N 2.97Å; G3134-S3136 VanDerWaalsContact O-N 3.14Å; S3136-V3138 PolarHBondContact O-N 2.77Å |
| 3137 | D | 70 | Confident | 78.5 | Confident | 48 Ų | 48 | 39 Ų | 39 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -77.2 | 114 | 173.8 | 173.4 | -12.6 | 0 | 0 | 0 | 108.1 | G3134 S3139 K3140 G3141 | G3134-D3137 PolarHBondContact O-N 3.14Å; D3137-S3139 VanDerWaalsContact CG-OG 3.28Å; D3137-S3139 PolarHBondContact O-N 2.96Å; D3137-S3139 VanDerWaalsContact O-N 3.1Å; D3137-S3139 WeakPolarHBondContact OD1-CA 3.45Å; D3137-S3139 WeakPolarHBondContact OD1-CB 3.3Å; D3137-S3139 PolarHBondContact OD1-N 3.09Å; D3137-S3139 PolarHBondContact OD1-OG 3.15Å; D3137-S3139 PolarHBondContact OD2-OG 2.97Å; D3137-K3140 HydrophobicContact CB-CB 4.19Å; D3137-K3140 CarbonylContact O-C 3.41Å; D3137-K3140 VanDerWaalsContact O-C 3.27Å; D3137-K3140 PolarHBondContact O-N 3.13Å; D3137-K3140 VanDerWaalsContact O-N 3.12Å; D3137-K3140 PolarHBondContact OD1-N 2.76Å; D3137-K3140 VanDerWaalsContact OD2-CD 3.32Å; D3137-K3140 WeakPolarHBondContact OD2-CD 3.43Å; D3137-K3140 WeakPolarHBondContact OD2-CE 2.93Å; D3137-K3140 WeakPolarHBondContact OD2-CG 3.28Å; D3137-K3140 IonicContact OD2-NZ 2.74Å; D3137-K3140 PolarHBondContact OD2-NZ 3.37Å; D3137-G3141 WeakPolarHBondContact O-CA 3.2Å; D3137-G3141 PolarHBondContact O-N 3.18Å |
| 3138 | V | 71.7 | Confident | 78.8 | Confident | 32 Ų | 32 | 38.1 Ų | 38.1 | 19% | 0.194 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -58.6 | -28.4 | -175.8 | -176.5 | 0 | 0 | 0 | 0 | 112.3 | R3060 S3061 Y3065 S3136 | R3060-V3138 HydrophobicContact CB-CG1 3.8Å; R3060-V3138 PolarHBondContact NE-O 3.2Å; R3060-V3138 VanDerWaalsContact NE-O 3.11Å; R3060-V3138 PolarHBondContact NH2-O 3.06Å; S3061-V3138 WeakPolarHBondContact OG-CG1 3.31Å; Y3065-V3138 HydrophobicContact CE2-CG2 3.9Å; S3136-V3138 PolarHBondContact O-N 2.77Å |
| 3139 | S | 69.5 | Low | 79.1 | Confident | 98.3333 Ų | 98.3333 | 38.3 Ų | 38.3 | 69% | 0.688 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -76.4 | -39.2 | 178 | 76.2 | 0 | 0 | 0 | 0 | 112.8 | D3137 | D3137-S3139 VanDerWaalsContact CG-OG 3.28Å; D3137-S3139 PolarHBondContact O-N 2.96Å; D3137-S3139 VanDerWaalsContact O-N 3.1Å; D3137-S3139 WeakPolarHBondContact OD1-CA 3.45Å; D3137-S3139 WeakPolarHBondContact OD1-CB 3.3Å; D3137-S3139 PolarHBondContact OD1-N 3.09Å; D3137-S3139 PolarHBondContact OD1-OG 3.15Å; D3137-S3139 PolarHBondContact OD2-OG 2.97Å |
| 3140 | K | 69.9 | Low | 79.3 | Confident | 154.333 Ų | 154.333 | 37.4 Ų | 37.4 | 67% | 0.671 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -98.3 | 12.6 | 175.8 | -59.7 | 175.4 | -167 | 145.4 | 0 | 113.3 | G3134 D3137 | G3134-K3140 CarbonylContact O-C 3.24Å; D3137-K3140 HydrophobicContact CB-CB 4.19Å; D3137-K3140 CarbonylContact O-C 3.41Å; D3137-K3140 VanDerWaalsContact O-C 3.27Å; D3137-K3140 PolarHBondContact O-N 3.13Å; D3137-K3140 VanDerWaalsContact O-N 3.12Å; D3137-K3140 PolarHBondContact OD1-N 2.76Å; D3137-K3140 VanDerWaalsContact OD2-CD 3.32Å; D3137-K3140 WeakPolarHBondContact OD2-CD 3.43Å; D3137-K3140 WeakPolarHBondContact OD2-CE 2.93Å; D3137-K3140 WeakPolarHBondContact OD2-CG 3.28Å; D3137-K3140 IonicContact OD2-NZ 2.74Å; D3137-K3140 PolarHBondContact OD2-NZ 3.37Å |
| 3141 | G | 74.5 | Confident | 79.7 | Confident | 8 Ų | 8 | 37.6 Ų | 37.6 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -63.8 | -178.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113 | R3060 D3137 | R3060-G3141 VanDerWaalsContact NH2-CA 3.31Å; R3060-G3141 PolarHBondContact NH2-O 3.2Å; D3137-G3141 WeakPolarHBondContact O-CA 3.2Å; D3137-G3141 PolarHBondContact O-N 3.18Å |
| 3142 | P | 84.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -49.4 | 136.5 | 177.5 | 22 | -33.1 | 0 | 0 | 0 | 110.8 | R3060 V3064 Y3129 W3135 I3146 L3147 | R3060-P3142 PolarHBondContact NH1-O 2.97Å; R3060-P3142 PolarHBondContact NH2-O 2.89Å; V3064-P3142 HydrophobicContact CG2-CG 3.98Å; Y3129-P3142 HydrophobicContact CE1-CG 4.22Å; W3135-P3142 HydrophobicContact CD2-CB 3.79Å; W3135-P3142 HydrophobicContact CD2-CG 4.37Å; W3135-P3142 HydrophobicContact CE3-CB 4.03Å; W3135-P3142 HydrophobicContact CE3-CG 4.22Å; W3135-P3142 HydrophobicContact CG-CB 4.22Å; W3135-P3142 HydrophobicContact CG-CG 4.31Å; W3135-P3142 HydrophobicContact CH2-CB 4.36Å; W3135-P3142 HydrophobicContact CZ2-CB 4.15Å; W3135-P3142 HydrophobicContact CZ3-CB 4.3Å; P3142-I3146 HydrophobicContact CB-CG2 3.99Å; P3142-L3147 HydrophobicContact CB-CB 4.42Å; P3142-L3147 HydrophobicContact CG-CB 4.34Å; P3142-L3147 HydrophobicContact CG-CD1 3.85Å |
| 3143 | P | 85.4 | Confident | 80.7 | Confident | 56 Ų | 56 | 33 Ų | 33 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | trans | -49.1 | 143.5 | 174.1 | -29 | 34.9 | 0 | 0 | 0 | 111.3 | H3145 I3146 L3147 | P3143-H3145 VanDerWaalsContact CB-CE1 3.49Å; P3143-H3145 WeakPolarHBondContact CB-CE1 3.38Å; P3143-H3145 WeakPolarHBondContact CB-ND1 3.5Å; P3143-H3145 PolarHBondContact O-N 3.28Å; P3143-H3145 VanDerWaalsContact O-N 3.09Å; P3143-I3146 HydrophobicContact CB-CG1 4.33Å; P3143-I3146 HydrophobicContact CG-CD1 4.19Å; P3143-I3146 HydrophobicContact CG-CG1 4.44Å; P3143-I3146 PolarHBondContact O-N 3.11Å; P3143-L3147 PolarHBondContact O-N 3.2Å | ||
| 3144 | D | 85.8 | Confident | 81.6 | Confident | 38.6667 Ų | 38.6667 | 28.9 Ų | 28.9 | 21% | 0.207 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54.4 | -32.8 | -174.6 | -77.3 | -16.9 | 0 | 0 | 0 | 112.2 | F3047 K3056 R3060 L3148 | F3047-D3144 HydrophobicContact CD1-CB 4.08Å; F3047-D3144 HydrophobicContact CE1-CB 4.41Å; F3047-D3144 WeakPolarHBondContact CE1-OD1 3.33Å; K3056-D3144 VanDerWaalsContact CE-OD2 3.24Å; K3056-D3144 WeakPolarHBondContact CE-OD2 3.27Å; K3056-D3144 IonicContact NZ-OD2 3.59Å; K3056-D3144 PolarHBondContact NZ-OD2 3.44Å; R3060-D3144 IonicContact CZ-OD1 2.88Å; R3060-D3144 IonicContact NH1-OD1 3.85Å; R3060-D3144 PolarHBondContact NH1-OD1 3.28Å; D3144-L3148 VanDerWaalsContact O-CB 3.3Å; D3144-L3148 WeakPolarHBondContact O-CB 3.35Å; D3144-L3148 WeakPolarHBondContact O-CD1 3.37Å; D3144-L3148 WeakPolarHBondContact O-CG 3.41Å; D3144-L3148 PolarHBondContact O-N 2.98Å |
| 3145 | H | 83.5 | Confident | 82.6 | Confident | 31 Ų | 31 | 27.8 Ų | 27.8 | 14% | 0.144 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.6 | -45.2 | 175.7 | 66.6 | -96 | 0 | 0 | 0 | 113.7 | D3031 Y3036 Q3044 P3143 L3147 L3148 R3149 | D3031-H3145 PolarHBondContact O-NE2 3.49Å; Y3036-H3145 HydrophobicContact CE1-CB 3.86Å; Y3036-H3145 AromaticContact CE1-CD2 3.83Å; Y3036-H3145 AromaticContact CE1-CG 3.83Å; Y3036-H3145 AromaticContact CZ-CD2 3.93Å; Y3036-H3145 AromaticContact CZ-CG 3.99Å; Y3036-H3145 PolarHBondContact OH-CD2 2.96Å; Y3036-H3145 PolarHBondContact OH-CE1 3.02Å; Y3036-H3145 PolarHBondContact OH-ND1 3.09Å; Y3036-H3145 PolarHBondContact OH-NE2 2.77Å; Q3044-H3145 VanDerWaalsContact CD-CB 3.46Å; Q3044-H3145 HydrophobicContact CG-CB 4.12Å; P3143-H3145 VanDerWaalsContact CB-CE1 3.49Å; P3143-H3145 WeakPolarHBondContact CB-CE1 3.38Å; P3143-H3145 WeakPolarHBondContact CB-ND1 3.5Å; P3143-H3145 PolarHBondContact O-N 3.28Å; P3143-H3145 VanDerWaalsContact O-N 3.09Å; H3145-L3147 VanDerWaalsContact C-N 3.34Å; H3145-L3148 PolarHBondContact O-N 2.97Å; H3145-R3149 WeakPolarHBondContact O-CG 3.23Å; H3145-R3149 PolarHBondContact O-N 3.06Å |
| 3146 | I | 85.8 | Confident | 83 | Confident | 10.3333 Ų | 10.3333 | 30.9 Ų | 30.9 | 5% | 0.053 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 176.1 | -63.5 | -180 | 0 | 0 | 0 | 109.7 | D3031 W3135 P3142 P3143 L3148 R3149 H3150 | D3031-I3146 HydrophobicContact CB-CD1 3.8Å; D3031-I3146 HydrophobicContact CB-CG1 4.41Å; W3135-I3146 HydrophobicContact CH2-CD1 4.37Å; W3135-I3146 HydrophobicContact CH2-CG2 3.8Å; W3135-I3146 HydrophobicContact CZ2-CD1 4.16Å; W3135-I3146 HydrophobicContact CZ2-CG2 4.33Å; W3135-I3146 HydrophobicContact CZ3-CG2 4.35Å; P3142-I3146 HydrophobicContact CB-CG2 3.99Å; P3143-I3146 HydrophobicContact CB-CG1 4.33Å; P3143-I3146 HydrophobicContact CG-CD1 4.19Å; P3143-I3146 HydrophobicContact CG-CG1 4.44Å; P3143-I3146 PolarHBondContact O-N 3.11Å; I3146-L3148 VanDerWaalsContact C-N 3.34Å; I3146-L3148 PolarHBondContact O-N 3.04Å; I3146-R3149 PolarHBondContact O-N 3.13Å; I3146-H3150 WeakPolarHBondContact CG2-CE1 3.22Å; I3146-H3150 VanDerWaalsContact O-CG 3.29Å; I3146-H3150 PolarHBondContact O-N 2.88Å |
| 3147 | L | 88.5 | Confident | 83.8 | Confident | 3.33333 Ų | 3.33333 | 30.4 Ų | 30.4 | 2% | 0.017 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.8 | -43.6 | 178.1 | -172.7 | 73.5 | 0 | 0 | 0 | 112.1 | F3047 R3060 M3063 V3064 P3142 P3143 H3145 H3150 F3151 | F3047-L3147 HydrophobicContact CE1-CD2 4.37Å; F3047-L3147 HydrophobicContact CZ-CD2 4.45Å; R3060-L3147 HydrophobicContact CB-CD2 4.29Å; R3060-L3147 HydrophobicContact CG-CD2 3.72Å; M3063-L3147 HydrophobicContact CB-CD1 3.82Å; M3063-L3147 HydrophobicContact CB-CG 4.35Å; M3063-L3147 HydrophobicContact CG-CD1 3.56Å; M3063-L3147 VanDerWaalsContact CG-CD1 3.45Å; M3063-L3147 HydrophobicContact CG-CG 4.25Å; V3064-L3147 HydrophobicContact CG2-CD1 4.2Å; P3142-L3147 HydrophobicContact CB-CB 4.42Å; P3142-L3147 HydrophobicContact CG-CB 4.34Å; P3142-L3147 HydrophobicContact CG-CD1 3.85Å; P3143-L3147 PolarHBondContact O-N 3.2Å; H3145-L3147 VanDerWaalsContact C-N 3.34Å; L3147-H3150 PolarHBondContact O-N 3.22Å; L3147-F3151 HydrophobicContact CD1-CE2 4.39Å; L3147-F3151 HydrophobicContact CD2-CE2 4.32Å; L3147-F3151 HydrophobicContact CG-CD2 4.12Å; L3147-F3151 HydrophobicContact CG-CE2 3.98Å; L3147-F3151 VanDerWaalsContact O-CD2 3.27Å; L3147-F3151 WeakPolarHBondContact O-CD2 3.48Å; L3147-F3151 PolarHBondContact O-N 2.83Å |
| 3148 | L | 89.1 | Confident | 84.5 | Confident | 6 Ų | 6 | 29.5 Ų | 29.5 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.5 | -39.4 | 177.2 | -72.4 | 164.9 | 0 | 0 | 0 | 111.9 | L2963 L3043 Q3044 F3047 D3144 H3145 I3146 H3150 F3151 L3152 | L2963-L3148 HydrophobicContact CD1-CD2 3.9Å; L2963-L3148 HydrophobicContact CD2-CD2 3.88Å; L3043-L3148 HydrophobicContact CD2-CB 4.31Å; L3043-L3148 HydrophobicContact CD2-CD2 4.29Å; L3043-L3148 HydrophobicContact CG-CD1 4.26Å; L3043-L3148 HydrophobicContact CG-CD2 4.24Å; Q3044-L3148 HydrophobicContact CB-CD1 4.48Å; Q3044-L3148 HydrophobicContact CG-CD1 3.97Å; F3047-L3148 HydrophobicContact CB-CD1 3.95Å; F3047-L3148 HydrophobicContact CB-CD2 4.32Å; F3047-L3148 HydrophobicContact CD1-CD1 4.25Å; F3047-L3148 HydrophobicContact CD1-CD2 4.46Å; F3047-L3148 HydrophobicContact CD1-CG 4.43Å; F3047-L3148 HydrophobicContact CG-CD1 4.32Å; F3047-L3148 HydrophobicContact CG-CD2 4.23Å; D3144-L3148 VanDerWaalsContact O-CB 3.3Å; D3144-L3148 WeakPolarHBondContact O-CB 3.35Å; D3144-L3148 WeakPolarHBondContact O-CD1 3.37Å; D3144-L3148 WeakPolarHBondContact O-CG 3.41Å; D3144-L3148 PolarHBondContact O-N 2.98Å; H3145-L3148 PolarHBondContact O-N 2.97Å; I3146-L3148 VanDerWaalsContact C-N 3.34Å; I3146-L3148 PolarHBondContact O-N 3.04Å; L3148-H3150 VanDerWaalsContact C-N 3.34Å; L3148-H3150 PolarHBondContact O-N 2.87Å; L3148-F3151 HydrophobicContact CD2-CD2 4.48Å; L3148-F3151 WeakPolarHBondContact O-CB 3.27Å; L3148-F3151 PolarHBondContact O-N 3.22Å; L3148-L3152 VanDerWaalsContact O-CG 3.29Å; L3148-L3152 WeakPolarHBondContact O-CG 3.45Å; L3148-L3152 PolarHBondContact O-N 3.24Å |
| 3149 | R | 88.3 | Confident | 85 | Confident | 4.66667 Ų | 4.66667 | 32.6 Ų | 32.6 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.5 | -46.5 | 171.2 | -74.4 | -179.2 | 175.8 | 163.3 | 0.9 | 111.6 | L3011 Y3015 D3031 E3040 H3145 I3146 F3151 L3152 V3153 | L3011-R3149 HydrophobicContact CD1-CG 4.39Å; Y3015-R3149 HydrophobicContact CD1-CB 3.81Å; Y3015-R3149 HydrophobicContact CD1-CG 4.43Å; Y3015-R3149 HydrophobicContact CE1-CB 3.44Å; Y3015-R3149 HydrophobicContact CE1-CG 4.21Å; Y3015-R3149 HydrophobicContact CG-CB 4.5Å; Y3015-R3149 VanDerWaalsContact CZ-CD 3.44Å; Y3015-R3149 WeakPolarHBondContact OH-CD 3.49Å; D3031-R3149 IonicContact OD1-NH1 2.72Å; E3040-R3149 WeakPolarHBondContact OE1-CG 3.5Å; E3040-R3149 IonicContact OE1-CZ 3.29Å; E3040-R3149 VanDerWaalsContact OE1-CZ 3.31Å; E3040-R3149 IonicContact OE1-NE 3.24Å; E3040-R3149 PolarHBondContact OE1-NE 3.1Å; E3040-R3149 IonicContact OE1-NH2 3.15Å; E3040-R3149 PolarHBondContact OE1-NH2 3.22Å; E3040-R3149 IonicContact OE2-CZ 3.7Å; E3040-R3149 IonicContact OE2-NE 3.15Å; E3040-R3149 IonicContact OE2-NH2 3.36Å; E3040-R3149 PolarHBondContact OE2-NH2 3.3Å; H3145-R3149 WeakPolarHBondContact O-CG 3.23Å; H3145-R3149 PolarHBondContact O-N 3.06Å; I3146-R3149 PolarHBondContact O-N 3.13Å; R3149-F3151 VanDerWaalsContact C-N 3.28Å; R3149-F3151 PolarHBondContact O-N 2.88Å; R3149-L3152 PolarHBondContact O-N 3.25Å; R3149-L3152 VanDerWaalsContact O-N 3.11Å; R3149-V3153 WeakPolarHBondContact O-CG2 3.23Å; R3149-V3153 PolarHBondContact O-N 3.05Å |
| 3150 | H | 89.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.6 | -35.1 | 175.6 | -64.9 | 165.2 | 0 | 0 | 0 | 112.9 | Y3015 M3063 I3125 Q3128 Y3129 W3135 I3146 L3147 L3148 L3154 | Y3015-H3150 AromaticContact CE1-CD2 3.77Å; Y3015-H3150 AromaticContact CE1-NE2 3.92Å; M3063-H3150 VanDerWaalsContact CE-C 3.46Å; M3063-H3150 HydrophobicContact CE-CB 3.53Å; M3063-H3150 WeakPolarHBondContact CE-O 3.39Å; I3125-H3150 HydrophobicContact CG2-CB 4.37Å; Q3128-H3150 PolarHBondContact OE1-CE1 3.23Å; Q3128-H3150 VanDerWaalsContact OE1-CE1 3.24Å; Q3128-H3150 PolarHBondContact OE1-NE2 2.9Å; Q3128-H3150 VanDerWaalsContact OE1-NE2 3.14Å; Y3129-H3150 AromaticContact CE2-CE1 3.89Å; Y3129-H3150 AromaticContact CE2-ND1 3.42Å; Y3129-H3150 VanDerWaalsContact CE2-ND1 3.33Å; Y3129-H3150 WeakPolarHBondContact CE2-ND1 3.3Å; Y3129-H3150 AromaticContact CZ-ND1 3.7Å; Y3129-H3150 PolarHBondContact OH-ND1 3.07Å; Y3129-H3150 VanDerWaalsContact OH-ND1 3.12Å; W3135-H3150 AromaticContact CZ3-CE1 3.87Å; I3146-H3150 WeakPolarHBondContact CG2-CE1 3.22Å; I3146-H3150 VanDerWaalsContact O-CG 3.29Å; I3146-H3150 PolarHBondContact O-N 2.88Å; L3147-H3150 PolarHBondContact O-N 3.22Å; L3148-H3150 VanDerWaalsContact C-N 3.34Å; L3148-H3150 PolarHBondContact O-N 2.87Å; H3150-L3154 WeakPolarHBondContact O-CB 3.4Å; H3150-L3154 PolarHBondContact O-N 3.22Å; H3150-L3154 VanDerWaalsContact O-N 3.09Å |
| 3151 | F | 90.2 | Very high | 84.5 | Confident | 6.33333 Ų | 6.33333 | 27.3 Ų | 27.3 | 3% | 0.028 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65 | -42.9 | 172.7 | -155.6 | -77 | 0 | 0 | 0 | 112 | I2959 L2960 L2963 T3059 M3063 L3147 L3148 R3149 V3153 L3154 R3155 | I2959-F3151 HydrophobicContact CG2-CD1 3.92Å; I2959-F3151 HydrophobicContact CG2-CD2 4.02Å; I2959-F3151 HydrophobicContact CG2-CE1 3.45Å; I2959-F3151 VanDerWaalsContact CG2-CE1 3.45Å; I2959-F3151 HydrophobicContact CG2-CE2 4.07Å; I2959-F3151 HydrophobicContact CG2-CZ 4.43Å; L2960-F3151 HydrophobicContact CB-CZ 4.44Å; L2960-F3151 HydrophobicContact CD2-CE1 3.99Å; L2960-F3151 HydrophobicContact CD2-CE2 3.9Å; L2960-F3151 HydrophobicContact CD2-CZ 3.4Å; L2960-F3151 VanDerWaalsContact CD2-CZ 3.46Å; L2960-F3151 HydrophobicContact CG-CZ 4.45Å; L2963-F3151 HydrophobicContact CB-CD1 4Å; L2963-F3151 HydrophobicContact CB-CD2 3.95Å; L2963-F3151 HydrophobicContact CB-CE1 4.17Å; L2963-F3151 HydrophobicContact CB-CE2 3.4Å; L2963-F3151 VanDerWaalsContact CB-CE2 3.43Å; L2963-F3151 HydrophobicContact CB-CZ 3.82Å; L2963-F3151 HydrophobicContact CD1-CD1 4.46Å; L2963-F3151 HydrophobicContact CD1-CD2 4.14Å; L2963-F3151 HydrophobicContact CD1-CE1 4.45Å; L2963-F3151 HydrophobicContact CD1-CE2 4.14Å; L2963-F3151 HydrophobicContact CD1-CG 4.3Å; L2963-F3151 HydrophobicContact CD1-CZ 4.28Å; L2963-F3151 HydrophobicContact CD2-CB 4.26Å; L2963-F3151 HydrophobicContact CD2-CD1 3.53Å; L2963-F3151 HydrophobicContact CD2-CD2 3.77Å; L2963-F3151 HydrophobicContact CD2-CE1 3.73Å; L2963-F3151 VanDerWaalsContact CD2-CE1 3.43Å; L2963-F3151 HydrophobicContact CD2-CE2 3.75Å; L2963-F3151 HydrophobicContact CD2-CG 3.69Å; L2963-F3151 HydrophobicContact CD2-CZ 3.57Å; L2963-F3151 HydrophobicContact CG-CD1 4.32Å; L2963-F3151 HydrophobicContact CG-CD2 4.47Å; L2963-F3151 HydrophobicContact CG-CE1 4.43Å; L2963-F3151 HydrophobicContact CG-CE2 4.19Å; L2963-F3151 HydrophobicContact CG-CZ 4.17Å; T3059-F3151 HydrophobicContact CG2-CE1 4.39Å; T3059-F3151 HydrophobicContact CG2-CE2 3.91Å; T3059-F3151 HydrophobicContact CG2-CZ 3.45Å; T3059-F3151 VanDerWaalsContact CG2-CZ 3.45Å; M3063-F3151 HydrophobicContact CB-CD1 4.44Å; M3063-F3151 HydrophobicContact CB-CD2 4.24Å; M3063-F3151 HydrophobicContact CB-CE1 3.83Å; M3063-F3151 HydrophobicContact CB-CE2 3.58Å; M3063-F3151 HydrophobicContact CB-CZ 3.35Å; M3063-F3151 HydrophobicContact CG-CD1 4.25Å; M3063-F3151 HydrophobicContact CG-CD2 3.99Å; M3063-F3151 HydrophobicContact CG-CE1 4.14Å; M3063-F3151 HydrophobicContact CG-CE2 3.85Å; M3063-F3151 HydrophobicContact CG-CG 4.19Å; M3063-F3151 HydrophobicContact CG-CZ 3.94Å; M3063-F3151 HydrophobicContact SD-CB 4.48Å; M3063-F3151 HydrophobicContact SD-CD1 4.18Å; M3063-F3151 HydrophobicContact SD-CE1 4.31Å; M3063-F3151 HydrophobicContact SD-CG 4.45Å; L3147-F3151 HydrophobicContact CD1-CE2 4.39Å; L3147-F3151 HydrophobicContact CD2-CE2 4.32Å; L3147-F3151 HydrophobicContact CG-CD2 4.12Å; L3147-F3151 HydrophobicContact CG-CE2 3.98Å; L3147-F3151 VanDerWaalsContact O-CD2 3.27Å; L3147-F3151 WeakPolarHBondContact O-CD2 3.48Å; L3147-F3151 PolarHBondContact O-N 2.83Å; L3148-F3151 HydrophobicContact CD2-CD2 4.48Å; L3148-F3151 WeakPolarHBondContact O-CB 3.27Å; L3148-F3151 PolarHBondContact O-N 3.22Å; R3149-F3151 VanDerWaalsContact C-N 3.28Å; R3149-F3151 PolarHBondContact O-N 2.88Å; F3151-V3153 VanDerWaalsContact C-N 3.34Å; F3151-V3153 PolarHBondContact O-N 3.45Å; F3151-L3154 CarbonylContact O-C 3.45Å; F3151-L3154 WeakPolarHBondContact O-CB 3.4Å; F3151-L3154 PolarHBondContact O-N 3.32Å; F3151-L3154 VanDerWaalsContact O-N 3.15Å; F3151-R3155 HydrophobicContact CE1-CB 4.22Å; F3151-R3155 WeakPolarHBondContact O-CB 3.41Å; F3151-R3155 PolarHBondContact O-N 3.3Å |
| 3152 | L | 89.9 | Confident | 83.4 | Confident | 2.33333 Ų | 2.33333 | 33.1 Ų | 33.1 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.2 | -39 | 179.5 | -68 | 165.6 | 0 | 0 | 0 | 111.3 | L3004 C3007 E3008 L3011 L3043 L3148 R3149 L3154 R3155 R3156 | L3004-L3152 HydrophobicContact CD2-CD2 4.13Å; C3007-L3152 HydrophobicContact CB-CD1 3.83Å; C3007-L3152 HydrophobicContact CB-CD2 3.91Å; E3008-L3152 HydrophobicContact CB-CD2 4.3Å; E3008-L3152 HydrophobicContact CG-CB 3.97Å; E3008-L3152 HydrophobicContact CG-CD2 3.72Å; E3008-L3152 HydrophobicContact CG-CG 4.43Å; L3011-L3152 HydrophobicContact CD1-CB 3.76Å; L3011-L3152 HydrophobicContact CD1-CD1 3.55Å; L3011-L3152 HydrophobicContact CD1-CG 4.29Å; L3011-L3152 HydrophobicContact CD2-CB 4.04Å; L3043-L3152 HydrophobicContact CD2-CD1 3.8Å; L3043-L3152 HydrophobicContact CD2-CD2 4.3Å; L3043-L3152 HydrophobicContact CD2-CG 4.38Å; L3148-L3152 VanDerWaalsContact O-CG 3.29Å; L3148-L3152 WeakPolarHBondContact O-CG 3.45Å; L3148-L3152 PolarHBondContact O-N 3.24Å; R3149-L3152 PolarHBondContact O-N 3.25Å; R3149-L3152 VanDerWaalsContact O-N 3.11Å; L3152-L3154 PolarHBondContact O-N 3.13Å; L3152-R3155 PolarHBondContact O-N 3.07Å; L3152-R3156 WeakPolarHBondContact O-CB 3.37Å; L3152-R3156 PolarHBondContact O-N 3Å |
| 3153 | V | 88.8 | Confident | 81.3 | Confident | 4.66667 Ų | 4.66667 | 39 Ų | 39 | 3% | 0.028 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.3 | -45.3 | 169.7 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | L3011 Y3015 F3017 I3125 R3149 F3151 R3155 R3156 E3157 | L3011-V3153 HydrophobicContact CD2-CG2 3.51Å; L3011-V3153 VanDerWaalsContact CD2-CG2 3.43Å; Y3015-V3153 HydrophobicContact CD1-CG2 4.29Å; Y3015-V3153 VanDerWaalsContact O-CG2 3.27Å; Y3015-V3153 WeakPolarHBondContact O-CG2 3.47Å; F3017-V3153 HydrophobicContact CB-CG1 3.95Å; I3125-V3153 HydrophobicContact CD1-CB 4.07Å; I3125-V3153 HydrophobicContact CD1-CG1 3.85Å; I3125-V3153 HydrophobicContact CD1-CG2 4.11Å; R3149-V3153 WeakPolarHBondContact O-CG2 3.23Å; R3149-V3153 PolarHBondContact O-N 3.05Å; F3151-V3153 VanDerWaalsContact C-N 3.34Å; F3151-V3153 PolarHBondContact O-N 3.45Å; V3153-R3155 VanDerWaalsContact C-N 3.34Å; V3153-R3155 PolarHBondContact O-N 3.11Å; V3153-R3156 PolarHBondContact O-N 3.13Å; V3153-E3157 WeakPolarHBondContact O-CB 3.45Å; V3153-E3157 WeakPolarHBondContact O-CG 3.33Å; V3153-E3157 PolarHBondContact O-N 3.03Å; V3153-E3157 VanDerWaalsContact O-N 3.08Å |
| 3154 | L | 89.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.2 | -39.7 | 178 | -178.7 | 70.1 | 0 | 0 | 0 | 112.2 | I2959 M3063 C3070 L3071 M3074 H3150 F3151 L3152 E3157 L3158 | I2959-L3154 HydrophobicContact CB-CD2 4.09Å; I2959-L3154 HydrophobicContact CD1-CD2 3.73Å; I2959-L3154 HydrophobicContact CG1-CD2 4.46Å; I2959-L3154 HydrophobicContact CG2-CD2 3.65Å; M3063-L3154 HydrophobicContact CE-CB 4.38Å; M3063-L3154 HydrophobicContact CE-CD2 4.32Å; M3063-L3154 HydrophobicContact SD-CD2 3.97Å; C3070-L3154 HydrophobicContact CB-CD1 4.04Å; L3071-L3154 HydrophobicContact CD2-CB 4.38Å; L3071-L3154 HydrophobicContact CD2-CD1 3.91Å; L3071-L3154 HydrophobicContact CG-CD1 4.23Å; M3074-L3154 HydrophobicContact CE-CD1 3.78Å; M3074-L3154 HydrophobicContact CE-CG 4.34Å; M3074-L3154 HydrophobicContact SD-CD1 3.72Å; M3074-L3154 VanDerWaalsContact SD-CD1 3.52Å; H3150-L3154 WeakPolarHBondContact O-CB 3.4Å; H3150-L3154 PolarHBondContact O-N 3.22Å; H3150-L3154 VanDerWaalsContact O-N 3.09Å; F3151-L3154 CarbonylContact O-C 3.45Å; F3151-L3154 WeakPolarHBondContact O-CB 3.4Å; F3151-L3154 PolarHBondContact O-N 3.32Å; F3151-L3154 VanDerWaalsContact O-N 3.15Å; L3152-L3154 PolarHBondContact O-N 3.13Å; L3154-E3157 PolarHBondContact O-N 3.24Å; L3154-L3158 HydrophobicContact CD1-CD1 4.32Å; L3154-L3158 HydrophobicContact CD1-CG 4.49Å; L3154-L3158 HydrophobicContact CG-CD1 4.14Å; L3154-L3158 WeakPolarHBondContact O-CD1 3.41Å; L3154-L3158 VanDerWaalsContact O-CG 3.26Å; L3154-L3158 WeakPolarHBondContact O-CG 3.42Å; L3154-L3158 PolarHBondContact O-N 3.1Å; L3154-L3158 VanDerWaalsContact O-N 3.13Å |
| 3155 | R | 90.4 | Very high | 76.8 | Confident | 16.6667 Ų | 16.6667 | 42.9 Ų | 42.9 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.8 | -49.9 | 176.9 | -175.8 | 177.2 | 155.4 | 123.6 | 2.5 | 110.7 | L2960 M3001 D3005 E3008 F3151 L3152 V3153 E3157 L3158 M3159 | L2960-R3155 HydrophobicContact CD1-CG 4.22Å; L2960-R3155 HydrophobicContact CD2-CB 3.81Å; L2960-R3155 HydrophobicContact CD2-CG 3.99Å; M3001-R3155 PolarHBondContact SD-NH1 3.23Å; D3005-R3155 IonicContact OD1-CZ 3.41Å; D3005-R3155 IonicContact OD1-NE 3.16Å; D3005-R3155 IonicContact OD1-NH1 2.82Å; D3005-R3155 PolarHBondContact OD1-NH1 3.5Å; D3005-R3155 IonicContact OD1-NH2 3.33Å; D3005-R3155 PolarHBondContact OD1-NH2 3.39Å; D3005-R3155 IonicContact OD2-CZ 2.71Å; D3005-R3155 IonicContact OD2-NH2 2.75Å; D3005-R3155 PolarHBondContact OD2-NH2 3.41Å; E3008-R3155 WeakPolarHBondContact OE1-CB 3.44Å; E3008-R3155 WeakPolarHBondContact OE1-CD 3.44Å; E3008-R3155 WeakPolarHBondContact OE1-CG 3.25Å; E3008-R3155 IonicContact OE1-CZ 3.61Å; E3008-R3155 IonicContact OE1-NE 2.74Å; E3008-R3155 PolarHBondContact OE1-NE 3.4Å; E3008-R3155 IonicContact OE1-NH1 2.85Å; E3008-R3155 WeakPolarHBondContact OE2-CD 3.27Å; E3008-R3155 WeakPolarHBondContact OE2-CG 3.47Å; E3008-R3155 IonicContact OE2-CZ 3.83Å; E3008-R3155 IonicContact OE2-NE 2.94Å; E3008-R3155 IonicContact OE2-NH1 2.71Å; E3008-R3155 PolarHBondContact OE2-NH1 3.1Å; F3151-R3155 HydrophobicContact CE1-CB 4.22Å; F3151-R3155 WeakPolarHBondContact O-CB 3.41Å; F3151-R3155 PolarHBondContact O-N 3.3Å; L3152-R3155 PolarHBondContact O-N 3.07Å; V3153-R3155 VanDerWaalsContact C-N 3.34Å; V3153-R3155 PolarHBondContact O-N 3.11Å; R3155-E3157 VanDerWaalsContact C-N 3.34Å; R3155-E3157 PolarHBondContact O-N 3.01Å; R3155-L3158 WeakPolarHBondContact O-CB 3.42Å; R3155-L3158 PolarHBondContact O-N 3.15Å; R3155-M3159 HydrophobicContact CG-CG 4.29Å; R3155-M3159 WeakPolarHBondContact O-CB 3.49Å; R3155-M3159 VanDerWaalsContact O-CG 3.3Å; R3155-M3159 WeakPolarHBondContact O-CG 3.27Å; R3155-M3159 PolarHBondContact O-N 3.07Å |
| 3156 | R | 88.2 | Confident | 74.5 | Confident | 94.3333 Ų | 94.3333 | 47.7 Ų | 47.7 | 36% | 0.356 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -52.4 | -50 | 175.1 | -173.8 | 170 | 162.2 | -160.2 | -11.4 | 112.5 | E3008 L3152 V3153 L3158 M3159 L3160 | E3008-R3156 HydrophobicContact CG-CB 4.1Å; E3008-R3156 VanDerWaalsContact OE1-CA 3.27Å; E3008-R3156 WeakPolarHBondContact OE1-CA 3.39Å; E3008-R3156 WeakPolarHBondContact OE1-CB 3.2Å; E3008-R3156 WeakPolarHBondContact OE1-CG 3.5Å; E3008-R3156 VanDerWaalsContact OE2-CA 3.28Å; E3008-R3156 WeakPolarHBondContact OE2-CA 3.33Å; E3008-R3156 VanDerWaalsContact OE2-CB 3.29Å; E3008-R3156 WeakPolarHBondContact OE2-CB 3.26Å; E3008-R3156 PolarHBondContact OE2-N 3.29Å; L3152-R3156 WeakPolarHBondContact O-CB 3.37Å; L3152-R3156 PolarHBondContact O-N 3Å; V3153-R3156 PolarHBondContact O-N 3.13Å; R3156-L3158 VanDerWaalsContact C-N 3.25Å; R3156-L3158 PolarHBondContact O-N 3.04Å; R3156-M3159 PolarHBondContact O-N 3.26Å; R3156-L3160 HydrophobicContact CG-CD1 3.94Å; R3156-L3160 HydrophobicContact CG-CG 4.39Å; R3156-L3160 WeakPolarHBondContact O-CB 3.34Å; R3156-L3160 VanDerWaalsContact O-CG 3.28Å; R3156-L3160 WeakPolarHBondContact O-CG 3.46Å; R3156-L3160 PolarHBondContact O-N 3.35Å |
| 3157 | E | 86 | Confident | 72.1 | Confident | 23.3333 Ų | 23.3333 | 52.4 Ų | 52.4 | 11% | 0.109 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.8 | -10 | 179.6 | -71.4 | -64.6 | 137.7 | 0 | 0 | 114.8 | F3017 M3074 R3077 V3153 L3154 R3155 H3161 | F3017-E3157 HydrophobicContact CB-CG 3.64Å; F3017-E3157 WeakPolarHBondContact CB-OE1 3.18Å; F3017-E3157 HydrophobicContact CD1-CG 4.14Å; F3017-E3157 HydrophobicContact CD2-CG 4.25Å; F3017-E3157 HydrophobicContact CG-CG 3.76Å; M3074-E3157 VanDerWaalsContact CE-C 3.41Å; M3074-E3157 HydrophobicContact CE-CB 3.66Å; M3074-E3157 VanDerWaalsContact CE-CB 3.47Å; M3074-E3157 VanDerWaalsContact CE-O 3.25Å; M3074-E3157 WeakPolarHBondContact CE-O 3.34Å; M3074-E3157 HydrophobicContact SD-CB 3.73Å; M3074-E3157 HydrophobicContact SD-CG 4.49Å; R3077-E3157 PolarHBondContact NH2-O 3.16Å; R3077-E3157 IonicContact NH2-OE2 3.75Å; V3153-E3157 WeakPolarHBondContact O-CB 3.45Å; V3153-E3157 WeakPolarHBondContact O-CG 3.33Å; V3153-E3157 PolarHBondContact O-N 3.03Å; V3153-E3157 VanDerWaalsContact O-N 3.08Å; L3154-E3157 PolarHBondContact O-N 3.24Å; R3155-E3157 VanDerWaalsContact C-N 3.34Å; R3155-E3157 PolarHBondContact O-N 3.01Å; E3157-H3161 PolarHBondContact O-CD2 3.29Å; E3157-H3161 PolarHBondContact O-NE2 3.3Å; E3157-H3161 VanDerWaalsContact O-NE2 3.16Å |
| 3158 | L | 86.5 | Confident | 69.5 | Low | 29 Ų | 29 | 57.8 Ų | 57.8 | 15% | 0.152 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -89.8 | -40.7 | 167.5 | -71.2 | 165.4 | 0 | 0 | 0 | 111.5 | I2952 L2960 M3074 L3154 R3155 R3156 H3161 | I2952-L3158 HydrophobicContact CG2-CD2 3.54Å; L2960-L3158 HydrophobicContact CD1-CB 4.46Å; L2960-L3158 HydrophobicContact CD1-CD1 3.66Å; L2960-L3158 HydrophobicContact CD2-CD1 4.28Å; L2960-L3158 HydrophobicContact CG-CD1 3.89Å; M3074-L3158 HydrophobicContact CE-CD1 4.41Å; M3074-L3158 HydrophobicContact CE-CD2 3.67Å; M3074-L3158 HydrophobicContact CE-CG 3.63Å; L3154-L3158 HydrophobicContact CD1-CD1 4.32Å; L3154-L3158 HydrophobicContact CD1-CG 4.49Å; L3154-L3158 HydrophobicContact CG-CD1 4.14Å; L3154-L3158 WeakPolarHBondContact O-CD1 3.41Å; L3154-L3158 VanDerWaalsContact O-CG 3.26Å; L3154-L3158 WeakPolarHBondContact O-CG 3.42Å; L3154-L3158 PolarHBondContact O-N 3.1Å; L3154-L3158 VanDerWaalsContact O-N 3.13Å; R3155-L3158 WeakPolarHBondContact O-CB 3.42Å; R3155-L3158 PolarHBondContact O-N 3.15Å; R3156-L3158 VanDerWaalsContact C-N 3.25Å; R3156-L3158 PolarHBondContact O-N 3.04Å; L3158-H3161 PolarHBondContact O-CD2 3.11Å |
| 3159 | M | 81.2 | Confident | 66.9 | Low | 97.3333 Ų | 97.3333 | 65.1 Ų | 65.1 | 48% | 0.479 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -76.4 | -27.5 | -176.6 | -62.2 | -59.8 | -40.6 | 0 | 0 | 113.6 | R3155 R3156 H3161 E3162 | R3155-M3159 HydrophobicContact CG-CG 4.29Å; R3155-M3159 WeakPolarHBondContact O-CB 3.49Å; R3155-M3159 VanDerWaalsContact O-CG 3.3Å; R3155-M3159 WeakPolarHBondContact O-CG 3.27Å; R3155-M3159 PolarHBondContact O-N 3.07Å; R3156-M3159 PolarHBondContact O-N 3.26Å; M3159-H3161 VanDerWaalsContact C-N 3.31Å; M3159-H3161 PolarHBondContact O-N 3.05Å; M3159-E3162 PolarHBondContact O-N 3.43Å |
| 3160 | L | 73.1 | Confident | 64.2 | Low | 68.3333 Ų | 68.3333 | 68.8 Ų | 68.8 | 36% | 0.358 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.7 | 29.1 | 179.1 | -78.4 | 170.4 | 0 | 0 | 0 | 114.9 | R3156 E3162 N3164 | R3156-L3160 HydrophobicContact CG-CD1 3.94Å; R3156-L3160 HydrophobicContact CG-CG 4.39Å; R3156-L3160 WeakPolarHBondContact O-CB 3.34Å; R3156-L3160 VanDerWaalsContact O-CG 3.28Å; R3156-L3160 WeakPolarHBondContact O-CG 3.46Å; R3156-L3160 PolarHBondContact O-N 3.35Å; L3160-E3162 HydrophobicContact CB-CG 4.3Å; L3160-E3162 HydrophobicContact CD2-CG 4.45Å; L3160-E3162 PolarHBondContact O-N 2.85Å; L3160-N3164 PolarHBondContact O-ND2 3.23Å |
| 3161 | H | 56.4 | Low | 61.5 | Low | 73.3333 Ų | 73.3333 | 73 Ų | 73 | 34% | 0.34 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -87.3 | 16.4 | 175.7 | -76.6 | -51.8 | 0 | 0 | 0 | 113.5 | R3077 R3081 E3157 L3158 M3159 D3163 | R3077-H3161 VanDerWaalsContact CZ-CE1 3.47Å; R3077-H3161 PolarHBondContact NH1-CD2 3.37Å; R3077-H3161 VanDerWaalsContact NH1-CD2 3.34Å; R3077-H3161 PolarHBondContact NH1-CE1 3.16Å; R3077-H3161 VanDerWaalsContact NH1-CE1 3.28Å; R3077-H3161 PolarHBondContact NH1-NE2 2.94Å; R3077-H3161 VanDerWaalsContact NH1-NE2 3.13Å; R3077-H3161 PolarHBondContact NH2-CD2 3.26Å; R3077-H3161 PolarHBondContact NH2-NE2 2.89Å; R3081-H3161 PolarHBondContact NH1-CE1 3.05Å; R3081-H3161 VanDerWaalsContact NH1-CE1 3.3Å; R3081-H3161 PolarHBondContact NH1-ND1 3.14Å; R3081-H3161 PolarHBondContact NH2-CE1 3.01Å; R3081-H3161 PolarHBondContact NH2-ND1 3.15Å; R3081-H3161 VanDerWaalsContact NH2-ND1 3.11Å; E3157-H3161 PolarHBondContact O-CD2 3.29Å; E3157-H3161 PolarHBondContact O-NE2 3.3Å; E3157-H3161 VanDerWaalsContact O-NE2 3.16Å; L3158-H3161 PolarHBondContact O-CD2 3.11Å; M3159-H3161 VanDerWaalsContact C-N 3.31Å; M3159-H3161 PolarHBondContact O-N 3.05Å; H3161-D3163 PolarHBondContact O-N 3.21Å |
| 3162 | E | 51.6 | Low | 58.7 | Low | 129.667 Ų | 129.667 | 81.6 Ų | 81.6 | 61% | 0.606 | 42% | 0.421 | S | S | * | . | trans | -88.3 | -14.9 | -177.9 | -58.8 | -158.4 | 126.6 | 0 | 0 | 112.9 | M3159 L3160 N3164 T3165 | M3159-E3162 PolarHBondContact O-N 3.43Å; L3160-E3162 HydrophobicContact CB-CG 4.3Å; L3160-E3162 HydrophobicContact CD2-CG 4.45Å; L3160-E3162 PolarHBondContact O-N 2.85Å; E3162-N3164 HydrophobicContact CB-CB 4.23Å; E3162-N3164 PolarHBondContact O-N 3.09Å; E3162-N3164 VanDerWaalsContact O-N 3.17Å; E3162-N3164 PolarHBondContact OE1-ND2 3.44Å; E3162-T3165 WeakPolarHBondContact O-CB 3.29Å; E3162-T3165 VanDerWaalsContact O-CG2 3.29Å; E3162-T3165 WeakPolarHBondContact O-CG2 3.49Å; E3162-T3165 PolarHBondContact O-N 2.65Å; E3162-T3165 PolarHBondContact O-OG1 3.13Å | ||
| 3163 | D | 40.5 | Very low | 55.7 | Low | 122.667 Ų | 122.667 | 87 Ų | 87 | 66% | 0.656 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -75.2 | -7.3 | 179.3 | -69 | -43.4 | 0 | 0 | 0 | 114.7 | H3161 T3165 L3166 | H3161-D3163 PolarHBondContact O-N 3.21Å; D3163-T3165 PolarHBondContact O-N 3.19Å; D3163-T3165 PolarHBondContact O-OG1 3.42Å; D3163-L3166 PolarHBondContact O-N 3.32Å |
| 3164 | N | 40.9 | Very low | 52.8 | Low | 94.3333 Ų | 94.3333 | 96.5 Ų | 96.5 | 50% | 0.504 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -67.4 | 4.9 | -174.4 | -87.3 | -55.5 | 0 | 0 | 0 | 114.6 | L3160 E3162 L3166 N3167 | L3160-N3164 PolarHBondContact O-ND2 3.23Å; E3162-N3164 HydrophobicContact CB-CB 4.23Å; E3162-N3164 PolarHBondContact O-N 3.09Å; E3162-N3164 VanDerWaalsContact O-N 3.17Å; E3162-N3164 PolarHBondContact OE1-ND2 3.44Å; N3164-L3166 VanDerWaalsContact C-N 3.28Å; N3164-L3166 PolarHBondContact O-N 3.27Å; N3164-N3167 PolarHBondContact O-N 2.69Å |
| 3165 | T | 35.8 | Very low | 49.9 | Very low | 83.3333 Ų | 83.3333 | 101.7 Ų | 101.7 | 51% | 0.511 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -63.6 | -22 | 174.9 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | Y3088 E3162 D3163 N3167 Q3169 | Y3088-T3165 HydrophobicContact CD1-CG2 3.82Å; Y3088-T3165 HydrophobicContact CE1-CG2 3.5Å; E3162-T3165 WeakPolarHBondContact O-CB 3.29Å; E3162-T3165 VanDerWaalsContact O-CG2 3.29Å; E3162-T3165 WeakPolarHBondContact O-CG2 3.49Å; E3162-T3165 PolarHBondContact O-N 2.65Å; E3162-T3165 PolarHBondContact O-OG1 3.13Å; D3163-T3165 PolarHBondContact O-N 3.19Å; D3163-T3165 PolarHBondContact O-OG1 3.42Å; T3165-N3167 PolarHBondContact O-N 2.99Å; T3165-Q3169 PolarHBondContact O-NE2 3.37Å; T3165-Q3169 VanDerWaalsContact O-NE2 3.12Å |
| 3166 | L | 34.7 | Very low | 46.8 | Very low | 132.667 Ų | 132.667 | 110.1 Ų | 110.1 | 70% | 0.695 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -27.6 | -178.4 | -65.7 | 174.3 | 0 | 0 | 0 | 113.7 | D3163 N3164 E3168 Q3169 | D3163-L3166 PolarHBondContact O-N 3.32Å; N3164-L3166 VanDerWaalsContact C-N 3.28Å; N3164-L3166 PolarHBondContact O-N 3.27Å; L3166-E3168 VanDerWaalsContact C-N 3.32Å; L3166-E3168 PolarHBondContact O-N 3.02Å; L3166-Q3169 PolarHBondContact O-N 3.37Å |
| 3167 | N | 34.7 | Very low | 43.9 | Very low | 109 Ų | 109 | 114.5 Ų | 114.5 | 58% | 0.583 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -79.5 | -16.6 | -174.7 | -79.9 | -33.4 | 0 | 0 | 0 | 114.8 | N3164 T3165 Q3169 S3170 | N3164-N3167 PolarHBondContact O-N 2.69Å; T3165-N3167 PolarHBondContact O-N 2.99Å; N3167-Q3169 VanDerWaalsContact C-N 3.29Å; N3167-Q3169 PolarHBondContact O-N 3.06Å; N3167-S3170 PolarHBondContact O-OG 3.28Å; N3167-S3170 PolarHBondContact OD1-OG 2.84Å |
| 3168 | E | 34.6 | Very low | 41 | Very low | 116.333 Ų | 116.333 | 118.1 Ų | 118.1 | 54% | 0.544 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -70.3 | -18.8 | 174 | -74.8 | -160.1 | 149.4 | 0 | 0 | 113.6 | T3087 S3089 L3166 | T3087-E3168 VanDerWaalsContact CB-OE1 3.3Å; T3087-E3168 WeakPolarHBondContact CB-OE1 3.37Å; S3089-E3168 WeakPolarHBondContact CB-OE2 3.5Å; S3089-E3168 PolarHBondContact OG-OE2 3.29Å; L3166-E3168 VanDerWaalsContact C-N 3.32Å; L3166-E3168 PolarHBondContact O-N 3.02Å |
| 3169 | Q | 34 | Very low | 38.2 | Very low | 159.667 Ų | 159.667 | 123.5 Ų | 123.5 | 75% | 0.746 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -90.5 | -29.9 | -176.6 | -61.6 | -167.3 | 26.7 | 0 | 0 | 113.7 | T3165 L3166 N3167 A3171 K3172 | T3165-Q3169 PolarHBondContact O-NE2 3.37Å; T3165-Q3169 VanDerWaalsContact O-NE2 3.12Å; L3166-Q3169 PolarHBondContact O-N 3.37Å; N3167-Q3169 VanDerWaalsContact C-N 3.29Å; N3167-Q3169 PolarHBondContact O-N 3.06Å; Q3169-A3171 VanDerWaalsContact C-N 3.29Å; Q3169-A3171 PolarHBondContact O-N 3.02Å; Q3169-K3172 PolarHBondContact O-N 2.95Å |
| 3170 | S | 32.8 | Very low | 35.6 | Very low | 81.6667 Ų | 81.6667 | 127.3 Ų | 127.3 | 57% | 0.571 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -70.3 | -27.4 | -178.7 | 62.4 | 0 | 0 | 0 | 0 | 113.4 | N3167 K3172 C3173 | N3167-S3170 PolarHBondContact O-OG 3.28Å; N3167-S3170 PolarHBondContact OD1-OG 2.84Å; S3170-K3172 PolarHBondContact O-N 3.03Å; S3170-C3173 PolarHBondContact O-N 2.82Å |
| 3171 | A | 32.5 | Very low | 33.4 | Very low | 88.6667 Ų | 88.6667 | 130.1 Ų | 130.1 | 73% | 0.733 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 3.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q3169 | Q3169-A3171 VanDerWaalsContact C-N 3.29Å; Q3169-A3171 PolarHBondContact O-N 3.02Å |
| 3172 | K | 29.6 | Very low | 32 | Very low | 185.333 Ų | 185.333 | 130.9 Ų | 130.9 | 81% | 0.806 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | 11.3 | -176 | -109 | 176.2 | -178 | 169.4 | 0 | 115.7 | Q3169 S3170 K3174 | Q3169-K3172 PolarHBondContact O-N 2.95Å; S3170-K3172 PolarHBondContact O-N 3.03Å; K3172-K3174 PolarHBondContact O-N 3.15Å |
| 3173 | C | 27.7 | Very low | 30.9 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | -113.1 | 96.2 | 173.2 | -108.3 | 0 | 0 | 0 | 0 | 114.3 | S3170 | S3170-C3173 PolarHBondContact O-N 2.82Š| ||
| 3174 | K | 27.6 | Very low | 30.4 | Very low | 203 Ų | 203 | 133.8 Ų | 133.8 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | trans | -83.1 | 94.1 | 163.6 | -64.6 | 178.5 | -178.5 | 171.6 | 0 | 114.2 | K3172 | K3172-K3174 PolarHBondContact O-N 3.15Š| ||
| 3175 | S | 29 | Very low | 29.8 | Very low | 109.333 Ų | 109.333 | 137.6 Ų | 137.6 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | trans | -178.6 | 123 | 139.5 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 3176 | K | 25.3 | Very low | 29.4 | Very low | 194.333 Ų | 194.333 | 140.8 Ų | 140.8 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | -107.8 | 126.1 | 164 | -64.6 | 177.2 | -179.2 | -179.7 | 0 | 111.9 | ||||
| 3177 | H | 28.2 | Very low | 29.2 | Very low | 185.667 Ų | 185.667 | 141.8 Ų | 141.8 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | -152.6 | 157 | 98.1 | -123.3 | -86.8 | 0 | 0 | 0 | 108.7 | |||||
| 3178 | S | 24.5 | Very low | 29 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | -105.8 | 129.7 | -175.9 | 52.5 | 0 | 0 | 0 | 0 | 112.1 | Q3180 | S3178-Q3180 PolarHBondContact O-N 3.37Š| ||
| 3179 | V | 27.8 | Very low | 28.7 | Very low | 141.333 Ų | 141.333 | 147.1 Ų | 147.1 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | -116.8 | 126.2 | 164.5 | 179.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 3180 | Q | 25.4 | Very low | 28.4 | Very low | 178.667 Ų | 178.667 | 147.7 Ų | 147.7 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | -142.6 | 142 | 136.1 | -83 | 178.2 | -35.8 | 0 | 0 | 111.3 | S3178 | S3178-Q3180 PolarHBondContact O-N 3.37Š| ||
| 3181 | V | 28.9 | Very low | 28.3 | Very low | 127 Ų | 127 | 153.3 Ų | 153.3 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | -124.9 | 122.3 | 174.9 | -172.5 | 0 | 0 | 0 | 0 | 108.6 | D3183 | V3181-D3183 PolarHBondContact O-N 2.93Š| ||
| 3182 | S | 25.9 | Very low | 27.8 | Very low | 88.3333 Ų | 88.3333 | 154.5 Ų | 154.5 | 62% | 0.618 | 81% | 0.805 | S | S | * | * | 32.6 | 117 | 86.8 | 33.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 3183 | D | 28.5 | Very low | 27.7 | Very low | 155 Ų | 155 | 154.3 Ų | 154.3 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | trans | -174.3 | 140.9 | 137.3 | -65.2 | -31.6 | 0 | 0 | 0 | 112.8 | V3181 | V3181-D3183 PolarHBondContact O-N 2.93Š| ||
| 3184 | I | 29.7 | Very low | 27.8 | Very low | 159.667 Ų | 159.667 | 154.8 Ų | 154.8 | 82% | 0.819 | 81% | 0.806 | S | S | * | * | trans | -134.3 | 118.3 | 164.6 | -63.8 | 157.1 | 0 | 0 | 0 | 111.3 | ||||
| 3185 | E | 28 | Very low | 27.8 | Very low | 173.333 Ų | 173.333 | 152.3 Ų | 152.3 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -165.5 | 107.8 | 162.1 | -130.4 | 175.4 | -154.1 | 0 | 0 | 111.4 | ||||
| 3186 | N | 28.8 | Very low | 27.8 | Very low | 150 Ų | 150 | 153.8 Ų | 153.8 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | 166.4 | 124.5 | 147.7 | -82.3 | -57.3 | 0 | 0 | 0 | 111.7 | ||||
| 3187 | D | 28.8 | Very low | 28 | Very low | 155.333 Ų | 155.333 | 153.2 Ų | 153.2 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -173.6 | 155.7 | 177.3 | -115.5 | -24.2 | 0 | 0 | 0 | 112.1 | ||||
| 3188 | I | 31.4 | Very low | 28.1 | Very low | 152.667 Ų | 152.667 | 150 Ų | 150 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | 66.3 | 97 | 151.7 | -42.3 | 170.5 | 0 | 0 | 0 | 114.7 | ||||
| 3189 | K | 29.3 | Very low | 28.3 | Very low | 183 Ų | 183 | 148.7 Ų | 148.7 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | -169 | 107.3 | 133.6 | -106.9 | -176.9 | -179.6 | -172 | 0 | 112.3 | ||||
| 3190 | E | 27.7 | Very low | 28.4 | Very low | 173.333 Ų | 173.333 | 151.1 Ų | 151.1 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | 97.1 | 114.7 | 132.3 | -78.7 | 178.3 | 155.9 | 0 | 0 | 113.9 | ||||
| 3191 | E | 29.1 | Very low | 28.7 | Very low | 197.333 Ų | 197.333 | 148.1 Ų | 148.1 | 92% | 0.922 | 79% | 0.791 | S | S | * | * | trans | 172.5 | 119.5 | 149.4 | -99.2 | -175.9 | -179.2 | 0 | 0 | 112.8 | ||||
| 3192 | C | 23.1 | Very low | 29 | Very low | 114.333 Ų | 114.333 | 146.5 Ų | 146.5 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 173.8 | 116.6 | 147 | -166.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 3193 | Q | 27.6 | Very low | 29.5 | Very low | 180.667 Ų | 180.667 | 148.3 Ų | 148.3 | 84% | 0.844 | 79% | 0.793 | S | S | * | * | trans | 106.9 | 128.9 | 175.6 | -66.3 | 174.5 | 43.3 | 0 | 0 | 113 | ||||
| 3194 | V | 30.1 | Very low | 29.8 | Very low | 128.333 Ų | 128.333 | 146.6 Ų | 146.6 | 78% | 0.778 | 79% | 0.789 | S | S | * | * | 165.1 | 139.3 | 77.9 | 139.4 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 3195 | E | 27.4 | Very low | 30.1 | Very low | 151.333 Ų | 151.333 | 144.1 Ų | 144.1 | 71% | 0.707 | 79% | 0.785 | S | S | * | * | trans | -139.2 | 148.5 | 152.2 | -88.4 | -177.3 | 153.4 | 0 | 0 | 119.1 | K3197 | E3195-K3197 IonicContact OE2-NZ 3.67Å; E3195-K3197 PolarHBondContact OE2-NZ 3.19Å | ||
| 3196 | M | 28.2 | Very low | 30.2 | Very low | 139.333 Ų | 139.333 | 141.4 Ų | 141.4 | 69% | 0.686 | 79% | 0.785 | S | S | * | * | trans | 50.6 | 117.3 | 140.8 | -65.7 | -77.5 | 174.1 | 0 | 0 | 119.9 | ||||
| 3197 | K | 29.4 | Very low | 30.4 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | trans | 97.4 | 138.6 | 141 | -78.5 | 154.7 | -175.1 | 155.2 | 0 | 115.8 | E3195 | E3195-K3197 IonicContact OE2-NZ 3.67Å; E3195-K3197 PolarHBondContact OE2-NZ 3.19Å | ||
| 3198 | S | 29.6 | Very low | 30.8 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | cis | -146.5 | 146 | -13.2 | 45.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 3199 | G | 29.5 | Very low | 30.9 | Very low | 72 Ų | 72 | 137.6 Ų | 137.6 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | 165.7 | 161.7 | 146.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 3200 | E | 30.1 | Very low | 31.2 | Very low | 190.667 Ų | 190.667 | 134.9 Ų | 134.9 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | trans | -143.7 | 161 | -160 | -59.7 | -174.8 | 136.8 | 0 | 0 | 112.9 | ||||
| 3201 | C | 31.9 | Very low | 31.4 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | 123.6 | 142.8 | 76.6 | -121.4 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 3202 | S | 35.6 | Very low | 31.6 | Very low | 93.5 Ų | 93.5 | 128.8 Ų | 128.8 | 65% | 0.654 | 77% | 0.773 | S | S | * | * | 125.8 | 133 | 86.6 | -52 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 3203 | T | 35.4 | Very low | 32.1 | Very low | 125.5 Ų | 125.5 | 131.6 Ų | 131.6 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | 54 | 140.7 | 110.8 | 62.1 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 3204 | T | 36.2 | Very low | 32.5 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | cis | -159.3 | 145.8 | 26.2 | 24.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 3205 | S | 34.4 | Very low | 32.6 | Very low | 106.5 Ų | 106.5 | 130.8 Ų | 130.8 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | 55 | 146.1 | 118 | 88.9 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 3206 | C | 31.2 | Very low | 32.8 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | cis | -151.9 | 160.2 | 13.1 | -119.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 3207 | N | 31.8 | Very low | 33 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | -96.9 | 173.8 | 161.5 | -70.1 | -45.4 | 0 | 0 | 0 | 110.5 | ||||
| 3208 | P | 38.8 | Very low | 32.9 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | -142.9 | 161.1 | 96.4 | 38.4 | -24.3 | 0 | 0 | 0 | 115.1 | |||||
| 3209 | S | 32.3 | Very low | 33 | Very low | 98 Ų | 98 | 131.3 Ų | 131.3 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | 168 | 138.7 | 94.7 | 71.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 3210 | T | 35.2 | Very low | 32.9 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -173.9 | 118.7 | 138.7 | 30.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 3211 | T | 32.7 | Very low | 33 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | 50.4 | 134.7 | 115.1 | 59.8 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 3212 | S | 34.2 | Very low | 32.9 | Very low | 114.5 Ų | 114.5 | 132.2 Ų | 132.2 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | -144.5 | 161.3 | 84.7 | 50.9 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 3213 | K | 32.3 | Very low | 32.5 | Very low | 173.5 Ų | 173.5 | 135.4 Ų | 135.4 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | 153.7 | 143.1 | 124.7 | -82.6 | -177.4 | 178.2 | 177.9 | 0 | 114.2 | |||||
| 3214 | H | 36.1 | Very low | 32.3 | Very low | 174.5 Ų | 174.5 | 134.4 Ų | 134.4 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | 70.9 | 154.7 | 166.5 | -52.2 | -66.7 | 0 | 0 | 0 | 116.6 | ||||
| 3215 | S | 32.6 | Very low | 32.1 | Very low | 116.5 Ų | 116.5 | 133.9 Ų | 133.9 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | cis | -146.4 | 174.7 | 7.1 | 39 | 0 | 0 | 0 | 0 | 114 | ||||
| 3216 | K | 30.4 | Very low | 31.8 | Very low | 204.5 Ų | 204.5 | 135.2 Ų | 135.2 | 89% | 0.889 | 80% | 0.803 | S | S | * | * | trans | -62.1 | 154 | 173.9 | -58.5 | 173.4 | -179.9 | 176.9 | 0 | 114 | ||||
| 3217 | S | 33.2 | Very low | 31.6 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | -154 | 158.1 | 94.2 | 51 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 3218 | N | 28 | Very low | 31.7 | Very low | 168.5 Ų | 168.5 | 140.4 Ų | 140.4 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | trans | -103.6 | 140.2 | 179.4 | -65.8 | -18 | 0 | 0 | 0 | 112.6 | ||||
| 3219 | S | 30.7 | Very low | 31.2 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -152.1 | 129.5 | 154.2 | 52.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 3220 | A | 28.8 | Very low | 31.1 | Very low | 92.5 Ų | 92.5 | 141.8 Ų | 141.8 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | 143.3 | 133.3 | 122.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 3221 | E | 31.4 | Very low | 30.6 | Very low | 190.5 Ų | 190.5 | 143.3 Ų | 143.3 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | trans | 127.7 | 153.9 | 172.6 | -84.4 | 173.6 | -169.1 | 0 | 0 | 111.7 | ||||
| 3222 | C | 28.7 | Very low | 30.5 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | cis | -147.7 | 164.3 | -20.9 | -142.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 3223 | L | 28.1 | Very low | 30.3 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -74.9 | 146.1 | 168.4 | -72.3 | 165.6 | 0 | 0 | 0 | 113.9 | ||||
| 3224 | S | 32.2 | Very low | 30.2 | Very low | 104 Ų | 104 | 142.9 Ų | 142.9 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | -168.3 | 157 | 68.7 | 59.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 3225 | S | 30.6 | Very low | 29.7 | Very low | 110 Ų | 110 | 141.6 Ų | 141.6 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | 131.1 | 168.4 | 68.2 | -97.5 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 3226 | V | 29.2 | Very low | 29.7 | Very low | 134 Ų | 134 | 144 Ų | 144 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | cis | -131.2 | 148 | 31.4 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 3227 | K | 26.4 | Very low | 29.5 | Very low | 189.5 Ų | 189.5 | 139.9 Ų | 139.9 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -135.9 | 144.5 | 166.7 | -91.8 | -175.6 | 176.3 | -179.7 | 0 | 109.8 | ||||
| 3228 | H | 32.8 | Very low | 29.4 | Very low | 186.5 Ų | 186.5 | 141.5 Ų | 141.5 | 86% | 0.863 | 80% | 0.799 | S | S | * | * | trans | -178.6 | 149.4 | 154.3 | -84.4 | -60.7 | 0 | 0 | 0 | 107 | ||||
| 3229 | S | 28.8 | Very low | 29.4 | Very low | 97 Ų | 97 | 143.9 Ų | 143.9 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | cis | -177.5 | 153.3 | -14.1 | 49.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 3230 | L | 30.7 | Very low | 29.3 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | cis | -160.3 | 156.4 | 4.1 | -130.2 | 171.9 | 0 | 0 | 0 | 108.7 | ||||
| 3231 | D | 24.8 | Very low | 29.3 | Very low | 158 Ų | 158 | 148.2 Ų | 148.2 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -89.2 | 149.3 | 167.9 | -81.5 | -61.5 | 0 | 0 | 0 | 112 | ||||
| 3232 | S | 31.2 | Very low | 29.1 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -161.7 | 118.3 | 154.8 | 64.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 3233 | S | 28.9 | Very low | 29.2 | Very low | 116 Ų | 116 | 150.1 Ų | 150.1 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -12.6 | 152 | 156.3 | -51.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 3234 | F | 29.8 | Very low | 29.3 | Very low | 182 Ų | 182 | 150.6 Ų | 150.6 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | -150.1 | 146 | 94.2 | -154.8 | -92 | 0 | 0 | 0 | 111.5 | Q3236 | F3234-Q3236 HydrophobicContact CE1-CB 4.48Š| |||
| 3235 | N | 26.4 | Very low | 29.1 | Very low | 148 Ų | 148 | 153.1 Ų | 153.1 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -127.3 | 123.8 | -175.7 | -115.8 | -22.7 | 0 | 0 | 0 | 111.4 | ||||
| 3236 | Q | 33.2 | Very low | 29.2 | Very low | 167 Ų | 167 | 151.6 Ų | 151.6 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | trans | -174.8 | 127.2 | 160 | -104.9 | 165.9 | 14.2 | 0 | 0 | 107.2 | F3234 | F3234-Q3236 HydrophobicContact CE1-CB 4.48Š| ||
| 3237 | T | 26.5 | Very low | 29.2 | Very low | 117 Ų | 117 | 154.8 Ų | 154.8 | 72% | 0.718 | 80% | 0.802 | S | S | * | * | cis | 117.2 | 145.8 | 28.3 | -64.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 3238 | I | 30.7 | Very low | 29.5 | Very low | 148.5 Ų | 148.5 | 157.8 Ų | 157.8 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | 123.7 | 116.1 | 157.9 | -68.3 | 162.8 | 0 | 0 | 0 | 112 | ||||
| 3239 | R | 28.2 | Very low | 29.2 | Very low | 220 Ų | 220 | 158.1 Ų | 158.1 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | 63.4 | 118.3 | 86 | -102.7 | 179.9 | -171.9 | 175.6 | 3.2 | 117.5 | |||||
| 3240 | K | 28.3 | Very low | 29.2 | Very low | 197.5 Ų | 197.5 | 161 Ų | 161 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | 70.4 | 122.2 | 113.1 | -63.8 | -173.8 | 177.6 | -177.7 | 0 | 116 | |||||
| 3241 | S | 28.8 | Very low | 29.2 | Very low | 102.5 Ų | 102.5 | 159.7 Ų | 159.7 | 72% | 0.717 | 81% | 0.811 | S | S | * | * | -173.6 | 131.2 | 59.2 | 52.4 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 3242 | N | 27.9 | Very low | 29.3 | Very low | 154 Ų | 154 | 161.4 Ų | 161.4 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | 125 | 144.4 | 82.2 | -120 | -3.9 | 0 | 0 | 0 | 114.4 | |||||
| 3243 | K | 29.4 | Very low | 29.2 | Very low | 189.5 Ų | 189.5 | 167.6 Ų | 167.6 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | trans | -19 | 149.5 | 174.7 | -60.3 | 175.5 | -179 | 176.6 | 0 | 113.3 | ||||
| 3244 | Q | 30.6 | Very low | 29.3 | Very low | 172.5 Ų | 172.5 | 170.2 Ų | 170.2 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | cis | -175.9 | 145.7 | 49.2 | -123.4 | 169.6 | 3.5 | 0 | 0 | 108 | ||||
| 3245 | L | 28.3 | Very low | 29.2 | Very low | 156.5 Ų | 156.5 | 166.8 Ų | 166.8 | 82% | 0.819 | 82% | 0.816 | S | S | * | * | 73.1 | 115 | 114.1 | -129.7 | 74.1 | 0 | 0 | 0 | 115.3 | |||||
| 3246 | G | 32.1 | Very low | 29.5 | Very low | 78.5 Ų | 78.5 | 165.6 Ų | 165.6 | 81% | 0.809 | 82% | 0.819 | S | S | * | * | trans | -165.1 | 68.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R3248 | G3246-R3248 PolarHBondContact O-N 3.49Š| ||
| 3247 | K | 29.6 | Very low | 29.4 | Very low | 200.5 Ų | 200.5 | 168 Ų | 168 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | trans | -79.3 | 123.1 | -179.5 | -67.1 | 176.5 | -178.7 | 172.6 | 0 | 111.4 | ||||
| 3248 | R | 31.6 | Very low | 29.5 | Very low | 251.5 Ų | 251.5 | 167.8 Ų | 167.8 | 95% | 0.949 | 83% | 0.831 | S | S | * | * | trans | -147.4 | 139.6 | 151.9 | -106.6 | 169 | -172.1 | 177.9 | 2.1 | 110.7 | G3246 | G3246-R3248 PolarHBondContact O-N 3.49Š| ||
| 3249 | K | 26.7 | Very low | 29.6 | Very low | 194.5 Ų | 194.5 | 165.2 Ų | 165.2 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | -110.3 | 151.7 | -173.5 | -117.2 | -176.5 | 178.1 | -179.5 | 0 | 109.3 | ||||
| 3250 | I | 30.7 | Very low | 29.6 | Very low | 157.5 Ų | 157.5 | 162 Ų | 162 | 81% | 0.808 | 82% | 0.824 | S | S | * | * | trans | 135 | 135.6 | 155.4 | -73.7 | 153.6 | 0 | 0 | 0 | 111.4 | ||||
| 3251 | V | 30.6 | Very low | 29.7 | Very low | 132 Ų | 132 | 157.7 Ų | 157.7 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | -55 | 132.9 | 88.8 | -167.5 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 3252 | K | 25.9 | Very low | 29.7 | Very low | 194.5 Ų | 194.5 | 157.4 Ų | 157.4 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -27.1 | 125.7 | 148.1 | -114.7 | 176.4 | -179.7 | 178 | 0 | 115.9 | ||||
| 3253 | R | 29.8 | Very low | 29.7 | Very low | 240 Ų | 240 | 157.1 Ų | 157.1 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | trans | -153.9 | 144.4 | 138.3 | -115 | 178.8 | 172.2 | 162.6 | -0.5 | 113.1 | ||||
| 3254 | Q | 30.5 | Very low | 29.7 | Very low | 169.5 Ų | 169.5 | 153.5 Ų | 153.5 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | trans | -32.8 | 129.7 | 170.6 | -69.7 | 168.3 | -63 | 0 | 0 | 117.8 | ||||
| 3255 | S | 28.6 | Very low | 29.6 | Very low | 111 Ų | 111 | 152.5 Ų | 152.5 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | 51.1 | 113.3 | 138.1 | 62.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 3256 | S | 31.6 | Very low | 29.6 | Very low | 123.5 Ų | 123.5 | 150.7 Ų | 150.7 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -164 | 138.3 | 137.9 | -30.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 3257 | K | 30.3 | Very low | 29.7 | Very low | 216.5 Ų | 216.5 | 151.9 Ų | 151.9 | 94% | 0.941 | 81% | 0.808 | S | S | * | * | -4.1 | 120.4 | 127.4 | -75.6 | -170.4 | 176.2 | -179.1 | 0 | 115 | |||||
| 3258 | S | 29.8 | Very low | 29.8 | Very low | 113.5 Ų | 113.5 | 149.9 Ų | 149.9 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -139.4 | 137.2 | 166.3 | 51.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 3259 | S | 32.4 | Very low | 29.8 | Very low | 93 Ų | 93 | 146.9 Ų | 146.9 | 65% | 0.65 | 80% | 0.804 | S | S | * | * | -160.1 | 130.2 | 69.1 | 1.3 | 0 | 0 | 0 | 0 | 107.8 | K3111 | K3111-S3259 PolarHBondContact NZ-OG 3.23Š| |||
| 3260 | L | 29 | Very low | 30 | Very low | 154.5 Ų | 154.5 | 142.3 Ų | 142.3 | 81% | 0.809 | 80% | 0.802 | S | S | * | * | trans | -21.1 | 140 | 143.7 | -60.9 | 127.5 | 0 | 0 | 0 | 113.7 | ||||
| 3261 | S | 29.1 | Very low | 30.1 | Very low | 105.5 Ų | 105.5 | 142.8 Ų | 142.8 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | -159.9 | 141.8 | 74 | 57.5 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 3262 | S | 29.9 | Very low | 30.2 | Very low | 96.5 Ų | 96.5 | 140 Ų | 140 | 68% | 0.675 | 80% | 0.802 | S | S | * | * | 105.8 | 134.7 | 79.1 | 36.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 3263 | L | 28.3 | Very low | 30.3 | Very low | 148.5 Ų | 148.5 | 138.2 Ų | 138.2 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | 131.1 | 107.2 | 65.5 | -91 | 167.2 | 0 | 0 | 0 | 113.4 | D3265 | L3263-D3265 VanDerWaalsContact CD2-OD2 3.27Å; L3263-D3265 WeakPolarHBondContact CD2-OD2 3.39Å | |||
| 3264 | S | 28 | Very low | 30.5 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -155.4 | 80.9 | 160.4 | 65 | 0 | 0 | 0 | 0 | 110.6 | C3266 | S3264-C3266 PolarHBondContact O-N 3.29Š| ||
| 3265 | D | 29.8 | Very low | 30.4 | Very low | 151 Ų | 151 | 129 Ų | 129 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | -84 | 123.5 | -174 | -65.1 | -33.8 | 0 | 0 | 0 | 112.4 | L3263 | L3263-D3265 VanDerWaalsContact CD2-OD2 3.27Å; L3263-D3265 WeakPolarHBondContact CD2-OD2 3.39Å | ||
| 3266 | C | 28.5 | Very low | 30.7 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -119.4 | 139.4 | 158.6 | -114.9 | 0 | 0 | 0 | 0 | 107.9 | S3264 | S3264-C3266 PolarHBondContact O-N 3.29Š| ||
| 3267 | S | 33.5 | Very low | 30.6 | Very low | 102.5 Ų | 102.5 | 135.5 Ų | 135.5 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | trans | -121.1 | 110 | -176.5 | 59 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3268 | D | 30.4 | Very low | 30.8 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -87.5 | 137.3 | 167.2 | -67.7 | -54.4 | 0 | 0 | 0 | 110.6 | ||||
| 3269 | E | 33 | Very low | 30.7 | Very low | 188 Ų | 188 | 137.5 Ų | 137.5 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -112.2 | 142.2 | 155.6 | -80.1 | -154.6 | 143.1 | 0 | 0 | 110.1 | ||||
| 3270 | A | 30.4 | Very low | 30.6 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -118.2 | 155.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 3271 | I | 33.4 | Very low | 30.8 | Very low | 169 Ų | 169 | 140 Ų | 140 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | 179.2 | 129.4 | 171.4 | -57.5 | 170.6 | 0 | 0 | 0 | 112.3 | ||||
| 3272 | G | 31.5 | Very low | 30.8 | Very low | 72.5 Ų | 72.5 | 143.5 Ų | 143.5 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | trans | -156.1 | 131.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 3273 | D | 29.1 | Very low | 31.1 | Very low | 156.5 Ų | 156.5 | 144 Ų | 144 | 84% | 0.837 | 80% | 0.798 | S | S | * | * | trans | -78 | 139 | 179.7 | -124.7 | -26.6 | 0 | 0 | 0 | 114.4 | ||||
| 3274 | T | 34.4 | Very low | 31.3 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -166.3 | 119.9 | 140.8 | 37.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 3275 | G | 28.1 | Very low | 31.3 | Very low | 73 Ų | 73 | 144 Ų | 144 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -108.3 | 154.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 3276 | I | 35.2 | Very low | 31.4 | Very low | 176 Ų | 176 | 145.2 Ų | 145.2 | 90% | 0.903 | 80% | 0.8 | S | S | * | * | trans | -133.9 | 145.8 | 166.7 | -91 | 168.5 | 0 | 0 | 0 | 109.8 | ||||
| 3277 | K | 29.3 | Very low | 31.5 | Very low | 194 Ų | 194 | 147 Ų | 147 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -94.4 | 141.2 | -169.5 | -56.8 | 169.6 | -177.6 | 173 | 0 | 112.9 | ||||
| 3278 | K | 32.8 | Very low | 31.5 | Very low | 203 Ų | 203 | 148 Ų | 148 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | 170.1 | 141.3 | 140.5 | -93.1 | 157.4 | -175.8 | -178.8 | 0 | 108.9 | ||||
| 3279 | K | 28.5 | Very low | 31.5 | Very low | 169 Ų | 169 | 147.9 Ų | 147.9 | 74% | 0.735 | 80% | 0.798 | S | S | * | * | cis | 120.2 | 130.2 | 10.1 | -120 | -164.9 | 167 | -137.2 | 0 | 108.8 | ||||
| 3280 | E | 29.9 | Very low | 31.3 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 57% | 0.565 | 80% | 0.795 | S | S | * | * | 145.4 | 172.8 | 84.2 | -61.2 | 178.3 | -170.2 | 0 | 0 | 112.6 | |||||
| 3281 | K | 32.7 | Very low | 31.2 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | cis | -155.4 | -176.9 | 6.1 | -133.3 | 157.5 | -174 | 141.6 | 0 | 111.8 | ||||
| 3282 | H | 29.8 | Very low | 31 | Very low | 177.5 Ų | 177.5 | 144 Ų | 144 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -117.1 | -176.7 | 176.5 | -99.2 | -73.8 | 0 | 0 | 0 | 109.3 | ||||
| 3283 | P | 37.4 | Very low | 30.8 | Very low | 107.5 Ų | 107.5 | 145.1 Ų | 145.1 | 70% | 0.698 | 78% | 0.781 | S | S | * | * | cis | -136.4 | -148.1 | -34.2 | 36.5 | -15.6 | 0 | 0 | 0 | 112.5 | ||||
| 3284 | V | 30.8 | Very low | 30.9 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | trans | 106.1 | 116 | 156.4 | -170.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 3285 | D | 27.7 | Very low | 31.1 | Very low | 140.5 Ų | 140.5 | 145.7 Ų | 145.7 | 75% | 0.751 | 78% | 0.776 | S | S | * | * | trans | -24.4 | 154.4 | 153.8 | -49.4 | -69.3 | 0 | 0 | 0 | 119.2 | ||||
| 3286 | L | 33.8 | Very low | 31.2 | Very low | 175.5 Ų | 175.5 | 150.4 Ų | 150.4 | 92% | 0.919 | 78% | 0.782 | S | S | * | * | trans | -150.8 | 128.8 | 132.7 | -122 | 153.9 | 0 | 0 | 0 | 111.5 | ||||
| 3287 | Q | 29.2 | Very low | 30.8 | Very low | 156.5 Ų | 156.5 | 150.8 Ų | 150.8 | 73% | 0.731 | 78% | 0.777 | S | S | * | * | trans | -108.8 | 149.3 | 179.1 | -124.4 | -176.8 | 6.7 | 0 | 0 | 109.8 | ||||
| 3288 | S | 34 | Very low | 31 | Very low | 122.5 Ų | 122.5 | 150.9 Ų | 150.9 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | trans | -134 | 142 | 158.4 | 54.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 3289 | Q | 29.8 | Very low | 30.8 | Very low | 159.5 Ų | 159.5 | 149.4 Ų | 149.4 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | trans | -120.3 | 159.5 | -178 | -61.1 | -178.3 | 2.9 | 0 | 0 | 110.8 | ||||
| 3290 | C | 30.3 | Very low | 30.9 | Very low | 121 Ų | 121 | 151.8 Ų | 151.8 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 178.2 | 141.5 | 136 | -85 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3291 | S | 27.2 | Very low | 30.7 | Very low | 84.5 Ų | 84.5 | 155.8 Ų | 155.8 | 59% | 0.591 | 79% | 0.788 | S | S | * | * | cis | 118.6 | 139 | 3.2 | 69.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3292 | L | 28.8 | Very low | 30.5 | Very low | 166 Ų | 166 | 154.2 Ų | 154.2 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | 146.2 | 154.6 | 90.7 | -74.5 | 119.5 | 0 | 0 | 0 | 115.2 | |||||
| 3293 | S | 28.9 | Very low | 30.3 | Very low | 95 Ų | 95 | 150.5 Ų | 150.5 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | -128.9 | -176.3 | -92.1 | 56.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 3294 | K | 30.4 | Very low | 29.8 | Very low | 194 Ų | 194 | 153.1 Ų | 153.1 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | -165.9 | 136.7 | 64.6 | -121.7 | 161.2 | -172.2 | 176.2 | 0 | 110 | |||||
| 3295 | P | 37.7 | Very low | 29.7 | Very low | 121 Ų | 121 | 155.2 Ų | 155.2 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -100.7 | 145.1 | -175.9 | 36.4 | -33 | 0 | 0 | 0 | 114.2 | ||||
| 3296 | I | 31 | Very low | 29.7 | Very low | 171.5 Ų | 171.5 | 153.4 Ų | 153.4 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | -135 | 144.9 | 167.5 | -65 | -174.8 | 0 | 0 | 0 | 110.6 | ||||
| 3297 | K | 27.6 | Very low | 29.4 | Very low | 183.5 Ų | 183.5 | 150.8 Ų | 150.8 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | -95.7 | 146.7 | -172.4 | -52.5 | 168 | -177.6 | 174.8 | 0 | 112.3 | ||||
| 3298 | K | 32.2 | Very low | 29.3 | Very low | 196 Ų | 196 | 153.2 Ų | 153.2 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | 178.9 | 122.3 | 129.4 | -96.1 | 161.6 | -176.5 | -178.4 | 0 | 110.8 | |||||
| 3299 | H | 29.6 | Very low | 29 | Very low | 171.5 Ų | 171.5 | 153.1 Ų | 153.1 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | 55.6 | 141 | 94.4 | -83.6 | -72.4 | 0 | 0 | 0 | 117.5 | |||||
| 3300 | R | 29.2 | Very low | 28.9 | Very low | 219.5 Ų | 219.5 | 151.8 Ų | 151.8 | 83% | 0.828 | 79% | 0.786 | S | S | * | * | 124.7 | 146.3 | -90.8 | -136.1 | -176.5 | 177.9 | 176.3 | -0.5 | 114.2 | |||||
| 3301 | R | 26.5 | Very low | 28.9 | Very low | 206.5 Ų | 206.5 | 149.9 Ų | 149.9 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | 106.2 | 134.8 | -126.4 | -90.7 | -170.9 | -180 | -170 | 0.7 | 114.8 | |||||
| 3302 | L | 27.8 | Very low | 28.9 | Very low | 146 Ų | 146 | 151.3 Ų | 151.3 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | 44.8 | 147.9 | 135.6 | -50 | 169.2 | 0 | 0 | 0 | 118.2 | ||||
| 3303 | S | 26.5 | Very low | 29 | Very low | 99 Ų | 99 | 150.8 Ų | 150.8 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | 122.7 | 156.1 | 99.3 | 51.2 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 3304 | E | 27.5 | Very low | 29 | Very low | 162.5 Ų | 162.5 | 151.5 Ų | 151.5 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | -89.1 | 165 | 71.3 | -90.3 | 155.7 | -171.1 | 0 | 0 | 113.8 | |||||
| 3305 | H | 28 | Very low | 28.9 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | 124.1 | 129 | 131.1 | -85 | -59.8 | 0 | 0 | 0 | 117.4 | ||||
| 3306 | S | 27.2 | Very low | 28.6 | Very low | 102 Ų | 102 | 148.3 Ų | 148.3 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | trans | -26.6 | 138.9 | 148.5 | 55.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 3307 | S | 28 | Very low | 28.5 | Very low | 121 Ų | 121 | 146.5 Ų | 146.5 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -145.7 | 143.8 | 141.9 | 41.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 3308 | Y | 26.2 | Very low | 28.4 | Very low | 208 Ų | 208 | 144.2 Ų | 144.2 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | trans | -80.3 | 153.1 | 168.3 | -82 | -118.8 | 0 | 0 | 0 | 109.6 | ||||
| 3309 | S | 28.4 | Very low | 28.3 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -145.3 | 145.3 | 137.1 | 130.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 3310 | T | 27 | Very low | 28.4 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -94.3 | 147 | 178.6 | 45 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 3311 | G | 31.1 | Very low | 28.3 | Very low | 81.5 Ų | 81.5 | 140.3 Ų | 140.3 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | -153.8 | 99.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 3312 | S | 27.6 | Very low | 28.4 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -103.1 | 133.7 | 178.8 | 1.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 3313 | D | 30.6 | Very low | 28.4 | Very low | 156.5 Ų | 156.5 | 137.2 Ų | 137.2 | 84% | 0.837 | 77% | 0.773 | S | S | * | * | trans | -157.8 | 153.3 | 145.4 | -115.1 | -32.7 | 0 | 0 | 0 | 108.4 | ||||
| 3314 | S | 27.7 | Very low | 28.4 | Very low | 108.5 Ų | 108.5 | 141.3 Ų | 141.3 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | 157 | 139.3 | 116.3 | 82.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 3315 | G | 29.9 | Very low | 28.4 | Very low | 72 Ų | 72 | 140.8 Ų | 140.8 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | 100.9 | 145.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 3316 | E | 30.1 | Very low | 28.4 | Very low | 176.5 Ų | 176.5 | 136.5 Ų | 136.5 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | cis | -144.4 | 143.2 | -6.8 | -78 | -165.9 | 112.6 | 0 | 0 | 109.6 | ||||
| 3317 | L | 28.9 | Very low | 28.3 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 71% | 0.707 | 79% | 0.786 | S | S | * | * | 43.7 | 114.4 | 121.7 | -69.2 | 172.1 | 0 | 0 | 0 | 117.6 | |||||
| 3318 | N | 26.7 | Very low | 28.5 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | 80.4 | 148.6 | 115.8 | -69.9 | -30.6 | 0 | 0 | 0 | 115.9 | |||||
| 3319 | N | 29.8 | Very low | 28.5 | Very low | 137 Ų | 137 | 139.3 Ų | 139.3 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | 139.8 | 153.7 | 89.9 | -96.8 | -29.6 | 0 | 0 | 0 | 114.6 | |||||
| 3320 | L | 32.3 | Very low | 28.5 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | 141.2 | 136.6 | 81 | -71.9 | 134.2 | 0 | 0 | 0 | 116 | L3322 | L3320-L3322 HydrophobicContact CD2-CD1 3.93Š| |||
| 3321 | R | 25.3 | Very low | 28.9 | Very low | 221 Ų | 221 | 138.5 Ų | 138.5 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | 150.1 | 98.9 | 99.7 | -174.1 | -173.5 | 179.5 | 172.1 | 1.5 | 112.9 | |||||
| 3322 | L | 30.4 | Very low | 28.8 | Very low | 149.5 Ų | 149.5 | 142.5 Ų | 142.5 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -160.4 | 122.8 | 159.8 | -87.2 | 161.6 | 0 | 0 | 0 | 106.7 | L3320 | L3320-L3322 HydrophobicContact CD2-CD1 3.93Š| ||
| 3323 | Q | 26.6 | Very low | 28.9 | Very low | 137.5 Ų | 137.5 | 142.3 Ų | 142.3 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | cis | 82 | 103.2 | 26.8 | -152.2 | -169.5 | 42.3 | 0 | 0 | 115.5 | I3325 | Q3323-I3325 HydrophobicContact CG-CD1 3.96Å; Q3323-I3325 HydrophobicContact CG-CG1 4.15Å | ||
| 3324 | K | 27.9 | Very low | 28.8 | Very low | 185.5 Ų | 185.5 | 141.8 Ų | 141.8 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | 141 | 114.5 | 159.2 | -88.8 | 178.9 | 178.2 | 177.9 | 0 | 112.6 | ||||
| 3325 | I | 26 | Very low | 28.8 | Very low | 151.5 Ų | 151.5 | 143 Ų | 143 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | 45.9 | 114.9 | 90.7 | -50.4 | 172.4 | 0 | 0 | 0 | 113.4 | Q3323 | Q3323-I3325 HydrophobicContact CG-CD1 3.96Å; Q3323-I3325 HydrophobicContact CG-CG1 4.15Å | |||
| 3326 | G | 28.4 | Very low | 28.9 | Very low | 77.5 Ų | 77.5 | 147.8 Ų | 147.8 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | 173.4 | 86.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3327 | S | 25.5 | Very low | 29 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -69.4 | 136.2 | 171 | -173.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 3328 | S | 31 | Very low | 29.1 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -117.2 | 150.8 | 157.4 | 56.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 3329 | R | 26.9 | Very low | 29.5 | Very low | 250 Ų | 250 | 142.5 Ų | 142.5 | 94% | 0.943 | 77% | 0.774 | S | S | * | * | trans | -150 | 145 | -161.7 | -177.1 | -175.3 | -177.2 | -168.9 | 2.6 | 110.2 | ||||
| 3330 | G | 29.7 | Very low | 29.6 | Very low | 58.5 Ų | 58.5 | 142.7 Ų | 142.7 | 60% | 0.603 | 78% | 0.775 | S | S | * | * | trans | 127.7 | 143.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 3331 | H | 33.6 | Very low | 29.6 | Very low | 176.5 Ų | 176.5 | 141.5 Ų | 141.5 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | cis | -132.4 | 156 | 2.6 | -64.9 | -114 | 0 | 0 | 0 | 107 | ||||
| 3332 | Q | 29.7 | Very low | 29.9 | Very low | 167.5 Ų | 167.5 | 135.6 Ų | 135.6 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | cis | 132.4 | 157.9 | 6.4 | -125.9 | 176.2 | 5.3 | 0 | 0 | 111.3 | ||||
| 3333 | S | 30.3 | Very low | 30 | Very low | 107.5 Ų | 107.5 | 136.1 Ų | 136.1 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | 72 | 147 | 168.7 | 78.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 3334 | L | 27.9 | Very low | 30.1 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | cis | -166 | 158.7 | -30.3 | -142.4 | 69.3 | 0 | 0 | 0 | 109.6 | ||||
| 3335 | L | 28.7 | Very low | 30.1 | Very low | 134.5 Ų | 134.5 | 137.8 Ų | 137.8 | 70% | 0.704 | 79% | 0.788 | S | S | * | * | trans | 63 | 144.2 | 161.9 | -54.7 | 177.3 | 0 | 0 | 0 | 117 | ||||
| 3336 | Q | 30.5 | Very low | 30 | Very low | 173 Ų | 173 | 137.6 Ų | 137.6 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | cis | 146.2 | 137.2 | 35.9 | -111.7 | 162.7 | -45.3 | 0 | 0 | 114.8 | ||||
| 3337 | S | 32.4 | Very low | 30 | Very low | 105.5 Ų | 105.5 | 143.1 Ų | 143.1 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | -136.7 | 156 | 162.8 | 42.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 3338 | S | 30.9 | Very low | 30 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 132.1 | -176.1 | 160 | -46.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 3339 | P | 36.4 | Very low | 29.9 | Very low | 112.5 Ų | 112.5 | 146.8 Ų | 146.8 | 73% | 0.731 | 79% | 0.786 | S | S | * | * | cis | -127.4 | -168.1 | -15.5 | 38 | -19.7 | 0 | 0 | 0 | 112.9 | ||||
| 3340 | D | 30.8 | Very low | 29.8 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | -26.1 | -175.8 | 71.2 | -121.2 | 8.6 | 0 | 0 | 0 | 117.1 | S3342 | D3340-S3342 VanDerWaalsContact OD2-CB 3.29Å; D3340-S3342 WeakPolarHBondContact OD2-CB 3.35Å; D3340-S3342 PolarHBondContact OD2-N 3.45Å; D3340-S3342 PolarHBondContact OD2-OG 3.44Å | |||
| 3341 | S | 33.5 | Very low | 29.7 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | cis | -149.2 | 157.3 | 48 | 48.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 3342 | S | 30.9 | Very low | 29.3 | Very low | 97.5 Ų | 97.5 | 147.9 Ų | 147.9 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | trans | -119.1 | 139.1 | -160.9 | 45.2 | 0 | 0 | 0 | 0 | 115.1 | D3340 | D3340-S3342 VanDerWaalsContact OD2-CB 3.29Å; D3340-S3342 WeakPolarHBondContact OD2-CB 3.35Å; D3340-S3342 PolarHBondContact OD2-N 3.45Å; D3340-S3342 PolarHBondContact OD2-OG 3.44Å | ||
| 3343 | N | 32.3 | Very low | 29.1 | Very low | 158.5 Ų | 158.5 | 151.2 Ų | 151.2 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | 170.8 | 122.2 | 144.5 | -93 | -39 | 0 | 0 | 0 | 111.8 | ||||
| 3344 | K | 28 | Very low | 29 | Very low | 194 Ų | 194 | 152.2 Ų | 152.2 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -24.6 | 123.4 | 136.3 | -69.7 | 177.8 | 178.1 | 172 | 0 | 113.7 | ||||
| 3345 | L | 29.3 | Very low | 28.9 | Very low | 164.5 Ų | 164.5 | 151.9 Ų | 151.9 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -154.3 | 124.6 | 131 | -116.9 | 158.2 | 0 | 0 | 0 | 110.3 | ||||
| 3346 | N | 23.9 | Very low | 28.8 | Very low | 149 Ų | 149 | 154.5 Ų | 154.5 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -83.3 | 133.4 | 178.9 | -74.8 | -24.2 | 0 | 0 | 0 | 110.3 | ||||
| 3347 | F | 28.4 | Very low | 28.6 | Very low | 191.5 Ų | 191.5 | 151.8 Ų | 151.8 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | -137.6 | 115.5 | 149.9 | -109.1 | -81 | 0 | 0 | 0 | 110.9 | N3349 | F3347-N3349 PolarHBondContact O-N 3.29Š| ||
| 3348 | Q | 25.8 | Very low | 28.4 | Very low | 174.5 Ų | 174.5 | 153.4 Ų | 153.4 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | trans | -85.4 | 100.7 | 179.5 | -115.1 | 168.6 | -37.2 | 0 | 0 | 110 | Q3350 | Q3348-Q3350 PolarHBondContact O-N 3.5Š| ||
| 3349 | N | 27 | Very low | 28.2 | Very low | 143 Ų | 143 | 155 Ų | 155 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | trans | -112.4 | 119.6 | 160.4 | -97.7 | -25.5 | 0 | 0 | 0 | 113 | F3347 T3351 | F3347-N3349 PolarHBondContact O-N 3.29Å; N3349-T3351 PolarHBondContact O-N 3.22Å | ||
| 3350 | Q | 26 | Very low | 27.8 | Very low | 164.5 Ų | 164.5 | 156 Ų | 156 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -74.3 | 115 | -178.3 | -66.8 | -178.5 | -5.6 | 0 | 0 | 111.8 | Q3348 R3352 | Q3348-Q3350 PolarHBondContact O-N 3.5Å; Q3350-R3352 PolarHBondContact O-N 2.99Å | ||
| 3351 | T | 27.5 | Very low | 27.7 | Very low | 118 Ų | 118 | 154.4 Ų | 154.4 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | trans | -111.4 | 112.5 | 160 | -35 | 0 | 0 | 0 | 0 | 109.7 | K2537 N3349 R3353 | K2537-T3351 PolarHBondContact NZ-OG1 3.02Å; N3349-T3351 PolarHBondContact O-N 3.22Å; T3351-R3353 PolarHBondContact O-N 2.77Å; T3351-R3353 VanDerWaalsContact O-N 3.15Å | ||
| 3352 | R | 25.1 | Very low | 27.5 | Very low | 226 Ų | 226 | 155.9 Ų | 155.9 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -68.4 | 121.1 | -177.3 | -66.6 | 177.2 | 177.1 | -178 | -2.1 | 110.1 | Q3350 T3354 | Q3350-R3352 PolarHBondContact O-N 2.99Å; R3352-T3354 PolarHBondContact O-N 2.71Å | ||
| 3353 | R | 25.2 | Very low | 27.5 | Very low | 237 Ų | 237 | 154.8 Ų | 154.8 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | -11.3 | 100.9 | 119.6 | -80.6 | -173.2 | 175.6 | -179.5 | -1.2 | 111.7 | T3351 H3355 | T3351-R3353 PolarHBondContact O-N 2.77Å; T3351-R3353 VanDerWaalsContact O-N 3.15Å; R3353-H3355 PolarHBondContact O-N 2.97Å | |||
| 3354 | T | 27.9 | Very low | 27.3 | Very low | 128 Ų | 128 | 154.4 Ų | 154.4 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -102.3 | 100.7 | 152.8 | 49.5 | 0 | 0 | 0 | 0 | 108.1 | R3352 F3356 | R3352-T3354 PolarHBondContact O-N 2.71Å; T3354-F3356 PolarHBondContact O-N 2.58Å | ||
| 3355 | H | 26.8 | Very low | 27.5 | Very low | 140 Ų | 140 | 150.9 Ų | 150.9 | 65% | 0.648 | 77% | 0.77 | S | S | * | * | trans | -100.8 | 115.2 | -178.8 | -161.1 | -77.4 | 0 | 0 | 0 | 108.4 | R3353 E3357 | R3353-H3355 PolarHBondContact O-N 2.97Å; H3355-E3357 IonicContact CE1-OE2 3.24Å | ||
| 3356 | F | 27.2 | Very low | 27.3 | Very low | 187.5 Ų | 187.5 | 150.6 Ų | 150.6 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | -133.1 | 68 | 174.2 | -126.8 | -75 | 0 | 0 | 0 | 110 | T3354 | T3354-F3356 PolarHBondContact O-N 2.58Š| ||
| 3357 | E | 26.4 | Very low | 27.8 | Very low | 117 Ų | 117 | 150.2 Ų | 150.2 | 55% | 0.547 | 77% | 0.768 | S | S | . | * | trans | -110 | 147 | 166.5 | -62.9 | -171.9 | 109.3 | 0 | 0 | 109.4 | K2753 H3355 | K2753-E3357 IonicContact NZ-OE1 3.52Å; K2753-E3357 PolarHBondContact NZ-OE1 2.9Å; H3355-E3357 IonicContact CE1-OE2 3.24Å | ||
| 3358 | L | 27.5 | Very low | 27.8 | Very low | 139.5 Ų | 139.5 | 148.5 Ų | 148.5 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | trans | 117.7 | 79.1 | 160.9 | -80.1 | 145.8 | 0 | 0 | 0 | 113.3 | ||||
| 3359 | L | 27.5 | Very low | 28 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | trans | -128.5 | 75.2 | 147.6 | -79.3 | -179.7 | 0 | 0 | 0 | 109.4 | K2753 | K2753-L3359 PolarHBondContact NZ-O 2.93Š| ||
| 3360 | D | 27.5 | Very low | 28.2 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | trans | -147.3 | 104.3 | 164.1 | -101.8 | -35.2 | 0 | 0 | 0 | 108.3 | K2753 | K2753-D3360 IonicContact NZ-OD1 3.78Å; K2753-D3360 PolarHBondContact NZ-OD1 3.3Å; K2753-D3360 IonicContact NZ-OD2 2.77Å; K2753-D3360 PolarHBondContact NZ-OD2 2.7Å | ||
| 3361 | S | 28.7 | Very low | 28.3 | Very low | 107 Ų | 107 | 144.9 Ų | 144.9 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 126.5 | 92.7 | 170.8 | -80 | 0 | 0 | 0 | 0 | 115.9 | ||
| 3362 | D | 28.8 | Very low | 28.3 | Very low | 155 Ų | 155 | 144 Ų | 144 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 135.5 | 121 | 142.2 | -84.3 | -40.1 | 0 | 0 | 0 | 116.2 | ||
| 3363 | A | 30 | Very low | 28.4 | Very low | 75 Ų | 75 | 138.4 Ų | 138.4 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | trans | 67.6 | 103.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 3364 | N | 28.6 | Very low | 28.7 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | trans | 128.1 | 63.9 | 141.2 | -82.8 | -13.1 | 0 | 0 | 0 | 118.5 | ||||
| 3365 | S | 32.1 | Very low | 28.8 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -168.8 | 123.9 | 136.3 | 43.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 3366 | E | 26.1 | Very low | 29.1 | Very low | 160 Ų | 160 | 139 Ų | 139 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -93 | 124.6 | 170.1 | -64.5 | -180 | 152.4 | 0 | 0 | 110.9 | T2911 | T2911-E3366 WeakPolarHBondContact CB-OE1 3.42Å; T2911-E3366 PolarHBondContact OG1-OE1 2.73Å | ||
| 3367 | T | 32.7 | Very low | 29.4 | Very low | 139.5 Ų | 139.5 | 136.3 Ų | 136.3 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | trans | -155.1 | 141.2 | 148.8 | 22.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 3368 | N | 28.4 | Very low | 29.8 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | trans | -97.6 | 159.7 | -171.9 | -68.7 | -67.5 | 0 | 0 | 0 | 112.6 | ||||
| 3369 | S | 31.4 | Very low | 30 | Very low | 113.5 Ų | 113.5 | 139.2 Ų | 139.2 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | 140.1 | 119.1 | 166.2 | 69.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 3370 | V | 30.6 | Very low | 30.3 | Very low | 134.5 Ų | 134.5 | 139.8 Ų | 139.8 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | -13 | 126.9 | 104.3 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 3371 | D | 28 | Very low | 30.5 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | trans | -89.1 | 149 | 151.1 | -96.3 | -50.2 | 0 | 0 | 0 | 115.8 | ||||
| 3372 | S | 28.7 | Very low | 30.7 | Very low | 98.5 Ų | 98.5 | 139.4 Ų | 139.4 | 69% | 0.689 | 78% | 0.776 | S | S | * | * | trans | -148.2 | 144 | 145.5 | 65.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3373 | S | 27.4 | Very low | 30.8 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | 87.4 | 150.4 | 153.4 | 8.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 3374 | V | 30.7 | Very low | 30.9 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | 137.5 | 116 | -98.8 | 151.7 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 3375 | R | 30 | Very low | 30.9 | Very low | 223.5 Ų | 223.5 | 140.5 Ų | 140.5 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | 18 | 142.6 | 139.3 | -59.7 | 169.8 | 177.9 | 169.7 | -1.4 | 120.4 | ||||
| 3376 | K | 33.5 | Very low | 30.8 | Very low | 180 Ų | 180 | 141.2 Ų | 141.2 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | 120.6 | 124.1 | 132.3 | -79.4 | 176.7 | 179 | -176.5 | 0 | 114.9 | ||||
| 3377 | N | 33.7 | Very low | 31.1 | Very low | 131 Ų | 131 | 143 Ų | 143 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | 149.3 | 166.1 | 66.3 | -80.3 | 1.6 | 0 | 0 | 0 | 114.2 | |||||
| 3378 | N | 33.8 | Very low | 30.9 | Very low | 143 Ų | 143 | 144.8 Ų | 144.8 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | 131.5 | 145.3 | 83.1 | -83.9 | -8.3 | 0 | 0 | 0 | 110.2 | |||||
| 3379 | K | 32.7 | Very low | 31 | Very low | 173.5 Ų | 173.5 | 143.1 Ų | 143.1 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | cis | 132.4 | 137.9 | 1.5 | -170.7 | -157.5 | 175.7 | -172.8 | 0 | 109.4 | ||||
| 3380 | I | 32.7 | Very low | 30.8 | Very low | 160 Ų | 160 | 142.5 Ų | 142.5 | 82% | 0.821 | 77% | 0.773 | S | S | * | * | trans | 74.9 | 131.6 | -178.4 | -42.7 | 169.4 | 0 | 0 | 0 | 112 | ||||
| 3381 | G | 32.5 | Very low | 30.8 | Very low | 65 Ų | 65 | 142.3 Ų | 142.3 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | cis | 171.8 | 179.5 | -4.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 3382 | M | 31.9 | Very low | 30.9 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 83% | 0.833 | 76% | 0.762 | S | S | * | * | 127.3 | 138.7 | -99.6 | -89.7 | -63.1 | -179.3 | 0 | 0 | 111.5 | |||||
| 3383 | I | 31.6 | Very low | 30.9 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | 72.6 | 120.6 | 105.6 | -61.5 | 167.8 | 0 | 0 | 0 | 115 | |||||
| 3384 | S | 32.6 | Very low | 30.9 | Very low | 100.5 Ų | 100.5 | 147.1 Ų | 147.1 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | -166.5 | 139.3 | 56.6 | 61.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 3385 | N | 27.9 | Very low | 30.8 | Very low | 153 Ų | 153 | 145 Ų | 145 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -11.8 | 138.4 | 166.2 | -53.7 | -39.3 | 0 | 0 | 0 | 118.5 | ||||
| 3386 | V | 30.9 | Very low | 30.7 | Very low | 133.5 Ų | 133.5 | 141.3 Ų | 141.3 | 81% | 0.809 | 77% | 0.765 | S | S | * | * | -155 | 113.2 | 127.2 | 166.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 3387 | K | 31 | Very low | 30.6 | Very low | 196 Ų | 196 | 140.4 Ų | 140.4 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | trans | 29.9 | 121.5 | 154 | -61.8 | 174.4 | -178.5 | 175.3 | 0 | 121.4 | ||||
| 3388 | Q | 29.3 | Very low | 30.5 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -86.1 | 161.5 | 146.9 | -71.7 | -176.7 | -24.1 | 0 | 0 | 111.2 | ||||
| 3389 | P | 31.3 | Very low | 30.4 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | trans | -109.7 | 130.8 | 141.4 | 34.7 | -27.2 | 0 | 0 | 0 | 111.5 | ||||
| 3390 | S | 26.3 | Very low | 30.5 | Very low | 99.5 Ų | 99.5 | 142.1 Ų | 142.1 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | -177.9 | 121.6 | 94.6 | 68.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 3391 | V | 30.7 | Very low | 30.7 | Very low | 131 Ų | 131 | 141 Ų | 141 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | 148.1 | 116.8 | 171.8 | -176.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 3392 | S | 29.9 | Very low | 30.8 | Very low | 90.5 Ų | 90.5 | 141.8 Ų | 141.8 | 63% | 0.633 | 75% | 0.754 | S | S | * | * | cis | 134 | 137.3 | 17.9 | 73.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 3393 | N | 27.6 | Very low | 30.9 | Very low | 144.5 Ų | 144.5 | 139.1 Ų | 139.1 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | 34.5 | 147.3 | 143.3 | -61.3 | -9.1 | 0 | 0 | 0 | 123.6 | ||||
| 3394 | Y | 28.8 | Very low | 31.1 | Very low | 231 Ų | 231 | 136.3 Ų | 136.3 | 91% | 0.906 | 74% | 0.741 | S | S | * | * | trans | 146.5 | 148.5 | 138.2 | -90.1 | -82.5 | 0 | 0 | 0 | 115.5 | ||||
| 3395 | A | 28.4 | Very low | 31.3 | Very low | 70.5 Ų | 70.5 | 139.5 Ų | 139.5 | 58% | 0.583 | 75% | 0.745 | S | S | * | * | -146.2 | 152.5 | -109.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 3396 | N | 27.9 | Very low | 31.4 | Very low | 145.5 Ų | 145.5 | 136.5 Ų | 136.5 | 78% | 0.778 | 74% | 0.736 | S | S | * | * | trans | 65.4 | 132.3 | 162 | -61.6 | -33.1 | 0 | 0 | 0 | 118.6 | ||||
| 3397 | Q | 31.3 | Very low | 31.4 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | -174.8 | 172.1 | 58.4 | -104.5 | 176.2 | 98.4 | 0 | 0 | 108.4 | |||||
| 3398 | T | 32.2 | Very low | 31.5 | Very low | 114.5 Ų | 114.5 | 136.1 Ų | 136.1 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | cis | -155.5 | 160.8 | 14.1 | -19.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3399 | K | 30.8 | Very low | 31.7 | Very low | 186 Ų | 186 | 134 Ų | 134 | 81% | 0.809 | 71% | 0.713 | S | S | * | * | trans | -22.5 | 153.1 | 156.8 | -60.5 | 160.7 | -178.8 | 170 | 0 | 118.5 | ||||
| 3400 | K | 34.3 | Very low | 31.5 | Very low | 181.5 Ų | 181.5 | 136 Ų | 136 | 79% | 0.789 | 71% | 0.709 | S | S | * | * | -162 | 152.2 | 74.6 | -121.2 | -178.7 | -174.5 | -167 | 0 | 110.3 | |||||
| 3401 | Q | 36.9 | Very low | 31.6 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 65% | 0.645 | 71% | 0.712 | S | S | * | * | cis | -156.4 | -168.7 | -11.5 | -146.8 | -177.8 | -75.5 | 0 | 0 | 104.5 | ||||
| 3402 | S | 35.8 | Very low | 31.6 | Very low | 81 Ų | 81 | 136.7 Ų | 136.7 | 57% | 0.566 | 71% | 0.707 | S | S | * | * | cis | -158.8 | 138.3 | 0.1 | -177.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 3403 | T | 34.1 | Very low | 31.5 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 69% | 0.693 | 72% | 0.715 | S | S | * | * | 43.4 | 130.7 | 85.9 | 20.6 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 3404 | S | 35.1 | Very low | 31.5 | Very low | 90 Ų | 90 | 140.1 Ų | 140.1 | 63% | 0.629 | 71% | 0.714 | S | S | * | * | cis | -149 | -168.5 | 10.7 | -50.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 3405 | Q | 37 | Very low | 31.5 | Very low | 168 Ų | 168 | 138 Ų | 138 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | cis | -155.9 | 151.5 | -3.4 | -133.5 | 134.9 | -24.2 | 0 | 0 | 106.7 | ||||
| 3406 | S | 30.6 | Very low | 31.4 | Very low | 91 Ų | 91 | 143.6 Ų | 143.6 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | 50.4 | 138.5 | 82.6 | -120.6 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 3407 | Y | 30.2 | Very low | 31.3 | Very low | 199 Ų | 199 | 141 Ų | 141 | 78% | 0.78 | 71% | 0.714 | S | S | * | * | cis | -160.2 | -177.5 | 8.9 | -139.5 | -176.8 | 0 | 0 | 0 | 108.8 | ||||
| 3408 | M | 33.3 | Very low | 31.2 | Very low | 121 Ų | 121 | 141 Ų | 141 | 60% | 0.596 | 72% | 0.719 | S | S | * | * | cis | -150.9 | -123 | 7.8 | -150.7 | -78.9 | 167.7 | 0 | 0 | 111.7 | ||||
| 3409 | Q | 32.5 | Very low | 31 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 63% | 0.631 | 72% | 0.72 | S | S | * | * | trans | -144.8 | -170.3 | 179.6 | -54.8 | 177.3 | -21.2 | 0 | 0 | 107.8 | ||||
| 3410 | K | 28.8 | Very low | 30.9 | Very low | 164 Ų | 164 | 144.1 Ų | 144.1 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | cis | -172 | 169.4 | 13.1 | -145.7 | 173.7 | -166.2 | 144.5 | 0 | 111.8 | ||||
| 3411 | I | 28.5 | Very low | 30.6 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | trans | 68 | 139 | 158.6 | -6.2 | -176.3 | 0 | 0 | 0 | 123 | ||||
| 3412 | S | 29.5 | Very low | 30.2 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | trans | 87.2 | 102.1 | 138.4 | 37.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 3413 | K | 28 | Very low | 29.7 | Very low | 185 Ų | 185 | 140.2 Ų | 140.2 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | 62.3 | 109.3 | 116.5 | -69.5 | -175.8 | 177.2 | -179.6 | 0 | 121.3 | |||||
| 3414 | T | 28.3 | Very low | 29.7 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | 79.8 | 146.5 | 128.4 | 65.6 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 3415 | K | 27.4 | Very low | 29.4 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | 78 | 118.5 | 157.2 | -75 | 174 | 179.3 | 173.9 | 0 | 120 | ||||
| 3416 | K | 27.2 | Very low | 29.1 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | 68.2 | 109 | 133.1 | -71.9 | -166.4 | 171.2 | -167.1 | 0 | 120 | ||||
| 3417 | S | 25.8 | Very low | 29.1 | Very low | 91 Ų | 91 | 144.2 Ų | 144.2 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | 33.3 | 120.8 | 124.1 | 62.8 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 3418 | N | 29.1 | Very low | 29.3 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | -167.2 | 170 | 102.4 | -99.3 | -18.6 | 0 | 0 | 0 | 114.4 | |||||
| 3419 | Y | 27.1 | Very low | 29.1 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 73% | 0.725 | 77% | 0.767 | S | S | * | * | trans | -75.6 | -178.6 | 174.8 | -105.6 | -106.5 | 0 | 0 | 0 | 113.1 | ||||
| 3420 | Q | 30.6 | Very low | 29 | Very low | 179 Ų | 179 | 138.9 Ų | 138.9 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | 86.1 | 149.6 | 166.3 | -63.3 | -176.1 | -28.8 | 0 | 0 | 117.6 | ||||
| 3421 | D | 26.9 | Very low | 29.1 | Very low | 134 Ų | 134 | 139 Ų | 139 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | cis | -166.4 | 156.8 | -36 | -149.8 | -27.1 | 0 | 0 | 0 | 109.2 | ||||
| 3422 | S | 27.8 | Very low | 29.2 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | 60.5 | 155.5 | 155.3 | 76.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 3423 | G | 26.8 | Very low | 29.5 | Very low | 72 Ų | 72 | 140.5 Ų | 140.5 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | 132.7 | 128.5 | 149.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 3424 | A | 32.9 | Very low | 29.6 | Very low | 92 Ų | 92 | 140.2 Ų | 140.2 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | 38.9 | 122.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 3425 | I | 28.8 | Very low | 29.7 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | 66.6 | 105.7 | 53.4 | -54 | 166.8 | 0 | 0 | 0 | 114.1 | |||||
| 3426 | S | 31.4 | Very low | 29.8 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | -179.2 | 165.9 | 123.3 | 42.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 3427 | H | 29.7 | Very low | 30 | Very low | 176 Ų | 176 | 138.6 Ų | 138.6 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | trans | -90.9 | 158.8 | -173.4 | -63.8 | -113.8 | 0 | 0 | 0 | 113.3 | ||||
| 3428 | A | 34.3 | Very low | 30.5 | Very low | 97 Ų | 97 | 141 Ų | 141 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | -155.6 | 140.9 | 129.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 3429 | N | 28.9 | Very low | 30.5 | Very low | 151 Ų | 151 | 140.2 Ų | 140.2 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | trans | -89.6 | -175.9 | 161.9 | -38.4 | -66 | 0 | 0 | 0 | 107.8 | ||||
| 3430 | S | 30.1 | Very low | 30.8 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | cis | -161.4 | 167.8 | -5.3 | 81 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 3431 | L | 32.9 | Very low | 31 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | -171.9 | 147.5 | 127.5 | -105.1 | 161.9 | 0 | 0 | 0 | 111.1 | |||||
| 3432 | S | 29.8 | Very low | 31.2 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | trans | -153.4 | 139.4 | -177.9 | 60.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 3433 | H | 36.5 | Very low | 31.4 | Very low | 182 Ų | 182 | 140.8 Ų | 140.8 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -146.5 | 163.9 | 155.9 | -99.1 | -71 | 0 | 0 | 0 | 111.5 | ||||
| 3434 | Q | 29.8 | Very low | 31.6 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -104.8 | 162.1 | -160.9 | -55.5 | 153.7 | -48.7 | 0 | 0 | 111.9 | ||||
| 3435 | C | 29.9 | Very low | 31.6 | Very low | 132 Ų | 132 | 141 Ų | 141 | 89% | 0.892 | 81% | 0.808 | S | S | * | * | -146.9 | 167 | 129.3 | -141.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 3436 | R | 30.4 | Very low | 32 | Very low | 242 Ų | 242 | 139 Ų | 139 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | trans | -85.1 | 151.6 | -149.1 | -76.5 | 173.7 | 164.6 | 157.5 | -6.6 | 117.3 | ||||
| 3437 | S | 31.1 | Very low | 31.9 | Very low | 88 Ų | 88 | 140.1 Ų | 140.1 | 62% | 0.615 | 81% | 0.808 | S | S | * | * | trans | -69.9 | 153.2 | 161.9 | 160.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3438 | T | 35.9 | Very low | 32.2 | Very low | 142 Ų | 142 | 142.5 Ų | 142.5 | 87% | 0.871 | 81% | 0.809 | S | S | * | * | trans | -137 | 160.5 | 131.4 | 48.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 3439 | N | 28.6 | Very low | 32.2 | Very low | 146 Ų | 146 | 144.3 Ų | 144.3 | 78% | 0.781 | 81% | 0.811 | S | S | * | * | trans | -107.7 | 150.1 | -170.6 | -65.5 | -59.2 | 0 | 0 | 0 | 113.3 | ||||
| 3440 | S | 34.5 | Very low | 32.5 | Very low | 116 Ų | 116 | 145.2 Ų | 145.2 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | -170.3 | 121.8 | 123.2 | 33.2 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 3441 | K | 33.9 | Very low | 32.7 | Very low | 191 Ų | 191 | 144.8 Ų | 144.8 | 83% | 0.83 | 82% | 0.817 | S | S | * | * | trans | 41.1 | 96.1 | 141 | -62.1 | -175.2 | 177.1 | -177.8 | 0 | 120.9 | ||||
| 3442 | Q | 31 | Very low | 32.9 | Very low | 188 Ų | 188 | 142.8 Ų | 142.8 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | 42.4 | 121.4 | 112.3 | -66.6 | 173.3 | -34.8 | 0 | 0 | 120.4 | |||||
| 3443 | S | 32.3 | Very low | 33.2 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -136.6 | 153.4 | 130.2 | -173.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3444 | A | 31.9 | Very low | 33.1 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -130.6 | 141.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3445 | G | 31.6 | Very low | 33.2 | Very low | 67 Ų | 67 | 140.5 Ų | 140.5 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | trans | -126.3 | 147.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 3446 | P | 37.9 | Very low | 33.2 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -90 | 129.1 | -150 | 32.1 | -36.2 | 0 | 0 | 0 | 115.8 | R3448 | P3446-R3448 PolarHBondContact O-N 3.35Å; P3446-R3448 VanDerWaalsContact O-N 3.12Å | ||
| 3447 | T | 29.1 | Very low | 33.2 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | trans | -65.9 | 102.5 | 161.9 | -48.5 | 0 | 0 | 0 | 0 | 109.8 | T3449 | T3447-T3449 PolarHBondContact O-N 3.06Š| ||
| 3448 | R | 36.4 | Very low | 33.2 | Very low | 226 Ų | 226 | 139.6 Ų | 139.6 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -73.2 | 113.7 | 176.7 | -83.1 | -171.9 | 168 | -168.8 | -4.6 | 111.4 | P3446 | P3446-R3448 PolarHBondContact O-N 3.35Å; P3446-R3448 VanDerWaalsContact O-N 3.12Å | ||
| 3449 | T | 33.2 | Very low | 32.8 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 83% | 0.828 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 140.4 | 169.8 | -50.9 | 0 | 0 | 0 | 0 | 111.2 | T3447 A3451 | T3447-T3449 PolarHBondContact O-N 3.06Å; T3449-A3451 PolarHBondContact O-N 3.48Å |
| 3450 | L | 35.1 | Very low | 32.9 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 118.6 | 173.5 | -72.2 | 167.3 | 0 | 0 | 0 | 110.4 | ||
| 3451 | A | 35.4 | Very low | 32.7 | Very low | 87 Ų | 87 | 139.6 Ų | 139.6 | 72% | 0.719 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 147 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | T3449 | T3449-A3451 PolarHBondContact O-N 3.48Š|
| 3452 | P | 36.4 | Very low | 32.4 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 137.7 | 173.8 | 29.3 | -34.2 | 0 | 0 | 0 | 111 | ||
| 3453 | L | 36.4 | Very low | 32.5 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 141.7 | 173.9 | -83.5 | 160.7 | 0 | 0 | 0 | 110.8 | S3455 | L3453-S3455 PolarHBondContact O-N 3.46Š|
| 3454 | P | 35.5 | Very low | 32.3 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 125.2 | -173.9 | -24.4 | 34.8 | 0 | 0 | 0 | 114.5 | A3456 | P3454-A3456 HydrophobicContact CB-CB 4.4Å; P3454-A3456 PolarHBondContact O-N 3.14Å |
| 3455 | S | 31.3 | Very low | 32.3 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 94% | 0.937 | 81% | 0.814 | S | S | * | * | trans | -76.2 | 69.6 | 171.2 | -63.2 | 0 | 0 | 0 | 0 | 111.6 | L3453 | L3453-S3455 PolarHBondContact O-N 3.46Š| ||
| 3456 | A | 30.3 | Very low | 32.3 | Very low | 82 Ų | 82 | 142.9 Ų | 142.9 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | trans | -139 | 39.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | P3454 | P3454-A3456 HydrophobicContact CB-CB 4.4Å; P3454-A3456 PolarHBondContact O-N 3.14Å | ||
| 3457 | M | 30.4 | Very low | 31.8 | Very low | 191 Ų | 191 | 141.3 Ų | 141.3 | 94% | 0.941 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -143.6 | 13.6 | 166 | -102.5 | -174 | 85.5 | 0 | 0 | 115.1 | ||
| 3458 | M | 29.5 | Very low | 32 | Very low | 170 Ų | 170 | 142.9 Ų | 142.9 | 84% | 0.837 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -98.7 | 71.4 | 171.7 | -75.5 | -82.9 | -140.7 | 0 | 0 | 110.3 | ||
| 3459 | N | 29.3 | Very low | 31.7 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | trans | 176.1 | 91.1 | 160.5 | -94.8 | -22.6 | 0 | 0 | 0 | 110.7 | ||||
| 3460 | S | 30.4 | Very low | 31.7 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -164.6 | 61.5 | 165 | -80.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 3461 | T | 28.9 | Very low | 31.7 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | trans | -72 | 153.9 | 153.5 | 32.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 3462 | N | 28.8 | Very low | 31.6 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | trans | 71.7 | 93.2 | 176.5 | -51 | -37 | 0 | 0 | 0 | 117.7 | ||||
| 3463 | T | 32.4 | Very low | 31.5 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 95% | 0.951 | 81% | 0.805 | S | S | * | * | trans | -153.3 | 64.7 | 137.7 | 19.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 3464 | S | 29 | Very low | 31.3 | Very low | 98 Ų | 98 | 143 Ų | 143 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | -98 | 90.1 | 162 | 44.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 3465 | R | 30.6 | Very low | 31.1 | Very low | 229 Ų | 229 | 147.2 Ų | 147.2 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -133.9 | 109.1 | 171.3 | -89.3 | -159.9 | 169.3 | -159.9 | -1.5 | 114.1 | ||||
| 3466 | L | 32.6 | Very low | 31.2 | Very low | 123 Ų | 123 | 148 Ų | 148 | 64% | 0.644 | 81% | 0.809 | S | S | * | * | trans | 34.6 | 108 | 146.8 | -68.1 | 80 | 0 | 0 | 0 | 117.3 | K3468 | L3466-K3468 HydrophobicContact CB-CG 4.36Å; L3466-K3468 HydrophobicContact CD2-CD 4.36Å; L3466-K3468 HydrophobicContact CD2-CG 4.01Å | ||
| 3467 | G | 26.6 | Very low | 31.2 | Very low | 85 Ų | 85 | 153.6 Ų | 153.6 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | trans | -60.7 | 133.3 | 133.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 3468 | K | 33.5 | Very low | 31.4 | Very low | 172 Ų | 172 | 153.5 Ų | 153.5 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | -123.3 | 120.9 | 166.4 | -87.7 | -166.8 | 172.1 | -171.5 | 0 | 108.8 | L3466 | L3466-K3468 HydrophobicContact CB-CG 4.36Å; L3466-K3468 HydrophobicContact CD2-CD 4.36Å; L3466-K3468 HydrophobicContact CD2-CG 4.01Å | ||
| 3469 | H | 31.1 | Very low | 31.4 | Very low | 196 Ų | 196 | 152.4 Ų | 152.4 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | trans | -63.9 | 134.9 | 153.9 | -67.2 | -98 | 0 | 0 | 0 | 108.2 | ||||
| 3470 | S | 32.9 | Very low | 31.6 | Very low | 117 Ų | 117 | 156.1 Ų | 156.1 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -146.8 | 121.8 | 164.8 | -169.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 3471 | V | 33.9 | Very low | 31.6 | Very low | 120 Ų | 120 | 159.5 Ų | 159.5 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -93.3 | 159.5 | -178.9 | 173.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 3472 | T | 34.7 | Very low | 31.5 | Very low | 117 Ų | 117 | 164.7 Ų | 164.7 | 72% | 0.718 | 82% | 0.821 | S | S | * | * | trans | 65.6 | 102 | 164.1 | 35.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 3473 | N | 33 | Very low | 31.6 | Very low | 142 Ų | 142 | 162.5 Ų | 162.5 | 76% | 0.759 | 82% | 0.817 | S | S | * | * | 83.1 | 147.2 | 110.8 | -113.9 | -31.6 | 0 | 0 | 0 | 123.7 | |||||
| 3474 | R | 32.3 | Very low | 31.3 | Very low | 213 Ų | 213 | 162.7 Ų | 162.7 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 64.7 | 89 | 156.3 | -65.4 | -176.3 | -179.8 | -174.1 | -0.5 | 121 | ||||
| 3475 | K | 31 | Very low | 31.5 | Very low | 200 Ų | 200 | 168 Ų | 168 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | 32 | 116.2 | 117.8 | -60.3 | 178.3 | -179.7 | 178.9 | 0 | 118.9 | |||||
| 3476 | T | 34.1 | Very low | 31.4 | Very low | 151 Ų | 151 | 161.7 Ų | 161.7 | 93% | 0.926 | 81% | 0.814 | S | S | * | * | -151.3 | 151.2 | 117.1 | 11 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 3477 | K | 30.5 | Very low | 31.6 | Very low | 200 Ų | 200 | 161.5 Ų | 161.5 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | trans | -95.5 | 144.9 | 176 | -62.9 | 176.1 | 179.5 | 176.8 | 0 | 109.7 | ||||
| 3478 | H | 35.2 | Very low | 31.9 | Very low | 188 Ų | 188 | 164.9 Ų | 164.9 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | trans | -157 | 140.6 | 133.1 | -117.1 | -83.2 | 0 | 0 | 0 | 110.8 | ||||
| 3479 | N | 28 | Very low | 31.9 | Very low | 148 Ų | 148 | 168.4 Ų | 168.4 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | trans | -84.9 | 152.3 | 169.8 | -62.7 | -43.8 | 0 | 0 | 0 | 109.4 | ||||
| 3480 | Y | 34 | Very low | 31.9 | Very low | 233 Ų | 233 | 163.4 Ų | 163.4 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | -160.5 | 168.4 | 128.9 | -112.3 | -76.4 | 0 | 0 | 0 | 111.1 | |||||
| 3481 | K | 29.6 | Very low | 32 | Very low | 195 Ų | 195 | 165 Ų | 165 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -109.9 | 152 | -173.4 | -69.6 | 176.5 | 174.7 | 174.5 | 0 | 112 | ||||
| 3482 | R | 27.1 | Very low | 31.9 | Very low | 233 Ų | 233 | 166 Ų | 166 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | 54.6 | 115.6 | 138.2 | -177.9 | -163.5 | -172.6 | -176 | 5 | 118.9 | ||||
| 3483 | S | 31.2 | Very low | 31.9 | Very low | 98 Ų | 98 | 169.2 Ų | 169.2 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | -167.2 | 164.1 | 118.1 | 65.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 3484 | E | 26.6 | Very low | 31.9 | Very low | 159 Ų | 159 | 167.5 Ų | 167.5 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | trans | -65.7 | 160 | 166.8 | -57.1 | 107.7 | 125.6 | 0 | 0 | 112.6 | ||||
| 3485 | F | 32.2 | Very low | 32 | Very low | 210 Ų | 210 | 162.9 Ų | 162.9 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -146.4 | 147 | 137.2 | -109.2 | -77.5 | 0 | 0 | 0 | 109.3 | ||||
| 3486 | A | 30.3 | Very low | 32.2 | Very low | 95 Ų | 95 | 161.5 Ų | 161.5 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -129.5 | 152.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 3487 | S | 35.1 | Very low | 32 | Very low | 120 Ų | 120 | 162.8 Ų | 162.8 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | -137.3 | 109.8 | 169.1 | 58.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 3488 | K | 33.1 | Very low | 32 | Very low | 156 Ų | 156 | 162.8 Ų | 162.8 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | trans | -76.5 | 151.3 | 170.8 | -68.3 | 177.8 | 167.5 | -169.1 | 0 | 110.5 | E3490 | K3488-E3490 WeakPolarHBondContact CD-OE2 3.47Å; K3488-E3490 WeakPolarHBondContact CE-OE2 3.29Å; K3488-E3490 IonicContact NZ-OE2 2.69Å; K3488-E3490 PolarHBondContact NZ-OE2 3.36Å | ||
| 3489 | Y | 35.1 | Very low | 31.6 | Very low | 245 Ų | 245 | 158 Ų | 158 | 96% | 0.961 | 79% | 0.785 | S | S | * | * | trans | -126.7 | 145.7 | 130.4 | -95.9 | -86.6 | 0 | 0 | 0 | 108.3 | ||||
| 3490 | E | 29.5 | Very low | 31.9 | Very low | 91 Ų | 91 | 157.3 Ų | 157.3 | 43% | 0.425 | 79% | 0.791 | S | S | . | * | trans | -143.7 | 124.7 | -159.1 | -179.7 | -179.9 | 146.6 | 0 | 0 | 110.9 | K3488 K3492 | K3488-E3490 WeakPolarHBondContact CD-OE2 3.47Å; K3488-E3490 WeakPolarHBondContact CE-OE2 3.29Å; K3488-E3490 IonicContact NZ-OE2 2.69Å; K3488-E3490 PolarHBondContact NZ-OE2 3.36Å; E3490-K3492 WeakPolarHBondContact OE1-CE 3.44Å; E3490-K3492 IonicContact OE1-NZ 3.5Å; E3490-K3492 PolarHBondContact OE1-NZ 3.22Å | ||
| 3491 | T | 36.3 | Very low | 31.7 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 93% | 0.926 | 78% | 0.779 | S | S | * | * | trans | -141.4 | 137 | 160.9 | -39.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 3492 | K | 30.7 | Very low | 31.9 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 62% | 0.617 | 77% | 0.773 | S | S | * | * | trans | -113.8 | 152.8 | -169.6 | -72.3 | 158.1 | 163.2 | 147.8 | 0 | 111.6 | E3490 | E3490-K3492 WeakPolarHBondContact OE1-CE 3.44Å; E3490-K3492 IonicContact OE1-NZ 3.5Å; E3490-K3492 PolarHBondContact OE1-NZ 3.22Å | ||
| 3493 | H | 35 | Very low | 32 | Very low | 183 Ų | 183 | 140 Ų | 140 | 85% | 0.847 | 77% | 0.765 | S | S | * | * | trans | -178.9 | 97.7 | 130.3 | -96.8 | -70.7 | 0 | 0 | 0 | 106.9 | ||||
| 3494 | V | 33.5 | Very low | 32.3 | Very low | 106 Ų | 106 | 144.6 Ų | 144.6 | 64% | 0.642 | 78% | 0.775 | S | S | * | * | 69 | 109.3 | 76.8 | 178 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 3495 | P | 33.4 | Very low | 32.4 | Very low | 117 Ų | 117 | 145 Ų | 145 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | trans | -96.4 | 161.7 | 177.3 | 38.3 | -34.2 | 0 | 0 | 0 | 112.7 | ||||
| 3496 | H | 35.1 | Very low | 32.6 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 79% | 0.787 | 77% | 0.772 | S | S | * | * | trans | -146.9 | 130.9 | 162.6 | -101.7 | -83 | 0 | 0 | 0 | 112.4 | ||||
| 3497 | H | 30.2 | Very low | 32.8 | Very low | 179 Ų | 179 | 143 Ų | 143 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | -81.1 | 146.2 | 153.9 | -90.9 | -104.5 | 0 | 0 | 0 | 109.1 | ||||
| 3498 | F | 31.2 | Very low | 32.5 | Very low | 199 Ų | 199 | 148.2 Ų | 148.2 | 87% | 0.873 | 77% | 0.77 | S | S | * | * | trans | -159 | 161.4 | 139.4 | -103.5 | -67.2 | 0 | 0 | 0 | 110.5 | ||||
| 3499 | A | 27.4 | Very low | 32.5 | Very low | 89 Ų | 89 | 147.3 Ų | 147.3 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | -135.6 | 169.6 | 177 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3500 | S | 34 | Very low | 32.3 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 92% | 0.923 | 77% | 0.765 | S | S | * | * | trans | 92.1 | 143.2 | -160.8 | -164.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 3501 | G | 28.9 | Very low | 32.3 | Very low | 63 Ų | 63 | 146.2 Ų | 146.2 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | cis | 161.9 | 166.8 | -6.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 3502 | S | 33.4 | Very low | 32 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | 73.2 | 104.7 | 174.5 | -160 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 3503 | N | 30.6 | Very low | 32 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | 43.2 | 125.4 | 126.4 | -50.5 | -49.7 | 0 | 0 | 0 | 121.5 | |||||
| 3504 | H | 36.7 | Very low | 31.7 | Very low | 194 Ų | 194 | 141.9 Ų | 141.9 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | -150.2 | 141.8 | 106.9 | -114.1 | -80.9 | 0 | 0 | 0 | 112.2 | |||||
| 3505 | H | 29.6 | Very low | 31.8 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 78% | 0.778 | 78% | 0.784 | S | S | * | * | trans | -91.4 | 154.8 | 174.7 | -103.9 | -100.3 | 0 | 0 | 0 | 111.2 | ||||
| 3506 | I | 35.7 | Very low | 31.5 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | -170.7 | 171 | 131.8 | -99.4 | 155.3 | 0 | 0 | 0 | 111.5 | ||||
| 3507 | S | 34.5 | Very low | 31.5 | Very low | 101 Ų | 101 | 146.1 Ų | 146.1 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -50.7 | 156.7 | -170.1 | 44.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 3508 | R | 27.9 | Very low | 31.3 | Very low | 231 Ų | 231 | 142.2 Ų | 142.2 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | cis | 77.3 | 91.1 | 13.9 | -160.9 | -163.9 | -165.6 | -167.3 | 7.3 | 118.2 | ||||
| 3509 | V | 34.1 | Very low | 31.2 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -170.8 | 127.2 | 145.4 | 140.3 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 3510 | K | 30 | Very low | 31.5 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | 84.3 | 121.7 | 51.5 | -92.6 | -164.8 | 172.2 | -172.1 | 0 | 115 | |||||
| 3511 | N | 29.5 | Very low | 31.2 | Very low | 148 Ų | 148 | 142.2 Ų | 142.2 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | 69.8 | 151.9 | 156 | -71.1 | 12.9 | 0 | 0 | 0 | 117.4 | ||||
| 3512 | S | 31 | Very low | 31.4 | Very low | 93 Ų | 93 | 144.9 Ų | 144.9 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | cis | -168.8 | 172 | -10.3 | 49.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 3513 | K | 31 | Very low | 31.2 | Very low | 188 Ų | 188 | 148.4 Ų | 148.4 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | trans | 77.6 | 120.7 | 152.1 | -78.6 | 177.7 | 175.4 | 179.4 | 0 | 120.6 | ||||
| 3514 | S | 29 | Very low | 31.4 | Very low | 104 Ų | 104 | 147.3 Ų | 147.3 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | 52.4 | 130.7 | 138.7 | 63.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 3515 | K | 34.1 | Very low | 31 | Very low | 203 Ų | 203 | 144 Ų | 144 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | -149.7 | 155.2 | 64.4 | -88.2 | 173.9 | 176.1 | 175.2 | 0 | 114.2 | |||||
| 3516 | S | 27.9 | Very low | 31.2 | Very low | 109 Ų | 109 | 144.3 Ų | 144.3 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | -79.3 | 154.3 | 162.2 | 47 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 3517 | L | 34.3 | Very low | 31.2 | Very low | 171 Ų | 171 | 142 Ų | 142 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | -160.4 | 155.7 | 139.8 | -110.4 | 156.8 | 0 | 0 | 0 | 110.1 | ||||
| 3518 | S | 27.7 | Very low | 31 | Very low | 97 Ų | 97 | 148.2 Ų | 148.2 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | -138.2 | -180 | -173.1 | 59.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 3519 | S | 28.8 | Very low | 31.4 | Very low | 107 Ų | 107 | 143 Ų | 143 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 72.4 | 157.7 | 176.6 | 84.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 3520 | K | 32.1 | Very low | 31.5 | Very low | 187 Ų | 187 | 145.1 Ų | 145.1 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | cis | -129.4 | 159.2 | 10 | -73.4 | -178.2 | 176.3 | 175.2 | 0 | 113.7 | ||||
| 3521 | T | 27.8 | Very low | 31.6 | Very low | 125 Ų | 125 | 146 Ų | 146 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | trans | -71.2 | 153.1 | 157.7 | 40 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 3522 | S | 32.9 | Very low | 31.9 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | -151.4 | 147.1 | 160.1 | -68.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 3523 | H | 30.2 | Very low | 32.2 | Very low | 177 Ų | 177 | 145.9 Ų | 145.9 | 82% | 0.819 | 78% | 0.777 | S | S | * | * | trans | -111.9 | -177.5 | -178.1 | -85.2 | -99.4 | 0 | 0 | 0 | 111.1 | ||||
| 3524 | S | 34 | Very low | 32.4 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | 81.8 | 147 | 160.7 | 83.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 3525 | N | 29.7 | Very low | 32.4 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | cis | -162.7 | 157.5 | -22.1 | -120.8 | 20.8 | 0 | 0 | 0 | 110.3 | ||||
| 3526 | E | 32.3 | Very low | 32.3 | Very low | 173 Ų | 173 | 143.2 Ų | 143.2 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | trans | 64.1 | 153 | 150.7 | -72.8 | 160.1 | 145.6 | 0 | 0 | 118.6 | ||||
| 3527 | S | 35.5 | Very low | 32.4 | Very low | 113 Ų | 113 | 145.3 Ų | 145.3 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | cis | -143 | 159.5 | 5.6 | 45.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 3528 | R | 31.1 | Very low | 31.9 | Very low | 231 Ų | 231 | 148.9 Ų | 148.9 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | -26.5 | 149.2 | 171.9 | -63.9 | 165.4 | 173.2 | 166.3 | -3.2 | 117.3 | ||||
| 3529 | T | 35.8 | Very low | 31.9 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | -167.3 | 150.4 | 79.6 | 23.7 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 3530 | H | 36.5 | Very low | 31.9 | Very low | 180 Ų | 180 | 149.6 Ų | 149.6 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | trans | 56.5 | 94.4 | 156.1 | -64.4 | -67.1 | 0 | 0 | 0 | 124.8 | ||||
| 3531 | K | 32.1 | Very low | 31.6 | Very low | 184 Ų | 184 | 150.1 Ų | 150.1 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | trans | -30.9 | 174.1 | 137.6 | -110.9 | -173.3 | 174.8 | -164.6 | 0 | 117.7 | ||||
| 3532 | P | 37.1 | Very low | 31.6 | Very low | 97 Ų | 97 | 153.8 Ų | 153.8 | 63% | 0.63 | 78% | 0.778 | S | S | * | * | cis | -147.9 | 172.4 | 0.6 | 39.5 | -18.6 | 0 | 0 | 0 | 121.6 | ||||
| 3533 | H | 36.1 | Very low | 31.4 | Very low | 142 Ų | 142 | 155.7 Ų | 155.7 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | trans | 104.2 | 143.3 | 133.5 | -93.5 | -53.4 | 0 | 0 | 0 | 125.1 | E3535 | H3533-E3535 IonicContact CE1-OE2 2.79Å; H3533-E3535 IonicContact ND1-OE2 3.66Å; H3533-E3535 PolarHBondContact ND1-OE2 3.11Å | ||
| 3534 | S | 34.7 | Very low | 31.2 | Very low | 108 Ų | 108 | 151.2 Ų | 151.2 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | 56.4 | 102.7 | 173.9 | 50.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 3535 | E | 30.5 | Very low | 30.7 | Very low | 155 Ų | 155 | 149.7 Ų | 149.7 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | cis | 103.6 | 143.5 | 18.8 | -61.2 | -175.8 | 100.2 | 0 | 0 | 117.2 | H3533 | H3533-E3535 IonicContact CE1-OE2 2.79Å; H3533-E3535 IonicContact ND1-OE2 3.66Å; H3533-E3535 PolarHBondContact ND1-OE2 3.11Å | ||
| 3536 | E | 31 | Very low | 30.6 | Very low | 176 Ų | 176 | 152.8 Ų | 152.8 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | 73.6 | 140.6 | 176.2 | -58.6 | -149.1 | 118.6 | 0 | 0 | 120.9 | ||||
| 3537 | Q | 29.3 | Very low | 30.3 | Very low | 152 Ų | 152 | 150.5 Ų | 150.5 | 71% | 0.71 | 76% | 0.757 | S | S | * | * | -163.5 | 146.1 | -61.9 | -112.1 | -170.3 | 52.1 | 0 | 0 | 108.9 | |||||
| 3538 | R | 23.9 | Very low | 29.8 | Very low | 247 Ų | 247 | 153.9 Ų | 153.9 | 93% | 0.932 | 76% | 0.76 | S | S | * | * | trans | -84.7 | 123.4 | 165.2 | -77.4 | 173.5 | 165.5 | 169.7 | -5.4 | 109.8 | ||||
| 3539 | T | 28.8 | Very low | 29.5 | Very low | 110 Ų | 110 | 148 Ų | 148 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | trans | -142.2 | 168.8 | 157 | 71.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 3540 | S | 28.7 | Very low | 29.1 | Very low | 108 Ų | 108 | 152.4 Ų | 152.4 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | 71.8 | 87.9 | 150.2 | -52.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 3541 | K | 26.4 | Very low | 28.6 | Very low | 199 Ų | 199 | 152.7 Ų | 152.7 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | trans | -66.3 | 160.1 | 142.5 | -65.5 | 174.3 | 178.7 | 174.7 | 0 | 109.6 | ||||
| 3542 | K | 26.2 | Very low | 28.3 | Very low | 202 Ų | 202 | 150.6 Ų | 150.6 | 88% | 0.878 | 76% | 0.757 | S | S | * | * | trans | 88.4 | 96.4 | 177.3 | -53.5 | 173.5 | 178.3 | -179.6 | 0 | 115.6 | ||||
| 3543 | H | 29.6 | Very low | 27.8 | Very low | 159 Ų | 159 | 153.6 Ų | 153.6 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | -142.3 | 160.6 | 100.4 | -135.1 | -91.9 | 0 | 0 | 0 | 110.7 | |||||
| 3544 | L | 25.5 | Very low | 27.5 | Very low | 83 Ų | 83 | 155.6 Ų | 155.6 | 44% | 0.435 | 77% | 0.772 | S | S | . | * | trans | -127.5 | 156.5 | 172.8 | -146.3 | 81.2 | 0 | 0 | 0 | 107.3 | K2730 | K2730-L3544 HydrophobicContact CD-CD2 3.61Å; K2730-L3544 VanDerWaalsContact CE-CD2 3.5Å; K2730-L3544 HydrophobicContact CG-CD2 4.23Å | ||
| 3545 | S | 25 | Very low | 27.3 | Very low | 77 Ų | 77 | 157.3 Ų | 157.3 | 54% | 0.538 | 77% | 0.771 | S | S | . | * | trans | 50.4 | 108.4 | 165.9 | 56.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 3546 | E | 25.6 | Very low | 27 | Very low | 191 Ų | 191 | 156.7 Ų | 156.7 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | trans | -157.9 | 172.3 | 130.1 | -121 | 169.4 | -169.1 | 0 | 0 | 111.3 | ||||
| 3547 | C | 27.7 | Very low | 26.9 | Very low | 124 Ų | 124 | 154.1 Ų | 154.1 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | 68.1 | 44.1 | 171.8 | -63.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 3548 | Q | 24.2 | Very low | 27 | Very low | 184 Ų | 184 | 151.8 Ų | 151.8 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | -89.1 | 158.6 | 123.7 | -83.3 | -168.5 | -6.1 | 0 | 0 | 108.9 | |||||
| 3549 | S | 25.8 | Very low | 27.3 | Very low | 109 Ų | 109 | 146.2 Ų | 146.2 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | 72.5 | 101.1 | -179 | -167.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 3550 | F | 27.4 | Very low | 27.3 | Very low | 213 Ų | 213 | 150 Ų | 150 | 93% | 0.934 | 78% | 0.782 | S | S | * | * | trans | -142.1 | 119.2 | 132.7 | -114.7 | -77.6 | 0 | 0 | 0 | 109.5 | ||||
| 3551 | K | 25.6 | Very low | 27.4 | Very low | 186 Ų | 186 | 153.3 Ų | 153.3 | 81% | 0.809 | 79% | 0.786 | S | S | * | * | trans | -147.2 | 133.2 | 179.6 | -169 | 177.9 | -175.6 | 179.5 | 0 | 108.3 | ||||
| 3552 | M | 26 | Very low | 27.9 | Very low | 141 Ų | 141 | 149.1 Ų | 149.1 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 73.1 | 135 | 177.6 | -62.2 | -109.6 | 63.5 | 0 | 0 | 118.5 | ||
| 3553 | H | 26 | Very low | 28.1 | Very low | 160 Ų | 160 | 144.6 Ų | 144.6 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | 50.3 | 101.5 | 154.8 | -66.5 | -61.1 | 0 | 0 | 0 | 121.4 | ||||
| 3554 | Q | 29 | Very low | 28.3 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | 174.2 | 147 | 129.6 | -94.2 | 176.4 | 51.1 | 0 | 0 | 107.1 | |||||
| 3555 | I | 30.4 | Very low | 28.7 | Very low | 144 Ų | 144 | 150.1 Ų | 150.1 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | cis | -155.5 | 158.6 | -13.5 | -122.8 | 166.1 | 0 | 0 | 0 | 106.8 | ||||
| 3556 | D | 25.6 | Very low | 29.2 | Very low | 142 Ų | 142 | 153.6 Ų | 153.6 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | trans | -66.9 | 171 | 177.3 | -60.8 | -85.1 | 0 | 0 | 0 | 114.7 | ||||
| 3557 | S | 27.2 | Very low | 29.5 | Very low | 122 Ų | 122 | 152 Ų | 152 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | 93.2 | 86.8 | 168.9 | -41.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 3558 | A | 33.3 | Very low | 29.8 | Very low | 104 Ų | 104 | 154.2 Ų | 154.2 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -153.9 | 52.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 3559 | T | 28.7 | Very low | 30.3 | Very low | 130 Ų | 130 | 154 Ų | 154 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | trans | -102.8 | 146.9 | 170.5 | 44.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 3560 | K | 29.7 | Very low | 30.6 | Very low | 189 Ų | 189 | 156 Ų | 156 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | 70.8 | 136 | -165.6 | -47.8 | 173.1 | -177 | 178.6 | 0 | 111 | ||||
| 3561 | E | 31.1 | Very low | 30.7 | Very low | 178 Ų | 178 | 153.9 Ų | 153.9 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | cis | -155.3 | 126 | 29.4 | -139.3 | 152.3 | -118.2 | 0 | 0 | 111.9 | ||||
| 3562 | A | 35.7 | Very low | 31 | Very low | 111 Ų | 111 | 151 Ų | 151 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | -158.6 | 109.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 3563 | S | 30.2 | Very low | 31.4 | Very low | 107 Ų | 107 | 151.9 Ų | 151.9 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -130.5 | 174.5 | -164.3 | -169.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 3564 | I | 34.3 | Very low | 31.6 | Very low | 141 Ų | 141 | 149.3 Ų | 149.3 | 72% | 0.723 | 80% | 0.803 | S | S | * | * | trans | 73.6 | 92.7 | 166.2 | -45.6 | 170.4 | 0 | 0 | 0 | 116.3 | ||||
| 3565 | R | 35.1 | Very low | 31.5 | Very low | 217 Ų | 217 | 148 Ų | 148 | 82% | 0.819 | 80% | 0.802 | S | S | * | * | -166.5 | 143.6 | 102.4 | -126 | 162.9 | -81.4 | -153.5 | -5.3 | 115.7 | |||||
| 3566 | N | 35.1 | Very low | 31.5 | Very low | 150 Ų | 150 | 146.6 Ų | 146.6 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | 64.9 | 97.2 | 157.4 | -64.6 | -5.7 | 0 | 0 | 0 | 121.3 | ||||
| 3567 | N | 30.6 | Very low | 31.8 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -78.3 | 161.3 | 146.8 | -63.7 | -52.8 | 0 | 0 | 0 | 110.8 | ||||
| 3568 | Q | 35.1 | Very low | 31.9 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | 168.7 | 147.5 | 111.4 | -93.5 | -168.1 | 17 | 0 | 0 | 114.4 | |||||
| 3569 | K | 33.6 | Very low | 31.8 | Very low | 180 Ų | 180 | 149 Ų | 149 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | 66.7 | 146.7 | 163.1 | -68.7 | -175.2 | 175.6 | -176.6 | 0 | 117.2 | ||||
| 3570 | L | 32.6 | Very low | 32 | Very low | 151 Ų | 151 | 151.2 Ų | 151.2 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | cis | -144 | 156.7 | -6.1 | -157.7 | 71.5 | 0 | 0 | 0 | 110.3 | ||||
| 3571 | E | 29.7 | Very low | 32.1 | Very low | 169 Ų | 169 | 149.1 Ų | 149.1 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -83.2 | 161.2 | 170.2 | -56.4 | 164.7 | 115.4 | 0 | 0 | 111.7 | ||||
| 3572 | T | 32.8 | Very low | 32.1 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | 174.1 | 135.3 | 121.9 | 26.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 3573 | L | 33.1 | Very low | 31.9 | Very low | 160 Ų | 160 | 149 Ų | 149 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | trans | 59 | 149.6 | 144 | -57.7 | 169.2 | 0 | 0 | 0 | 120.2 | ||||
| 3574 | S | 30.7 | Very low | 32 | Very low | 106 Ų | 106 | 148.8 Ų | 148.8 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | cis | -161.3 | 172.6 | -17.5 | 51.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 3575 | N | 28 | Very low | 31.9 | Very low | 155 Ų | 155 | 145.7 Ų | 145.7 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | -76.5 | 175.9 | -177.6 | -59.6 | -43.8 | 0 | 0 | 0 | 114.9 | ||||
| 3576 | C | 30.4 | Very low | 31.7 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | trans | 124.4 | 145.8 | 155.3 | -73.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 3577 | D | 30.6 | Very low | 31.6 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | cis | -157.9 | -166.4 | -31.3 | -141.1 | -51.5 | 0 | 0 | 0 | 110 | ||||
| 3578 | K | 30.4 | Very low | 31.5 | Very low | 185 Ų | 185 | 140 Ų | 140 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -93.6 | 146.8 | -176 | -49.6 | 150.3 | -169.8 | 151.4 | 0 | 114.4 | ||||
| 3579 | S | 31.2 | Very low | 31.3 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | -155.6 | 136.2 | 150.3 | -29.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 3580 | E | 31.7 | Very low | 31.3 | Very low | 177 Ų | 177 | 134.5 Ų | 134.5 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | 70 | 141.9 | 89.4 | -63.1 | 171.8 | 165.7 | 0 | 0 | 113.2 | |||||
| 3581 | E | 32.7 | Very low | 31.1 | Very low | 144 Ų | 144 | 135.6 Ų | 135.6 | 67% | 0.673 | 78% | 0.776 | S | S | * | * | cis | -156.2 | 136.5 | 0.7 | -125 | -166.1 | 158.9 | 0 | 0 | 110.4 | ||||
| 3582 | Q | 30.9 | Very low | 31.2 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 65% | 0.654 | 77% | 0.773 | S | S | * | * | 89.7 | 153.9 | 105.8 | -111 | -153.9 | 83.1 | 0 | 0 | 117.9 | |||||
| 3583 | L | 32.1 | Very low | 31.1 | Very low | 146 Ų | 146 | 131.4 Ų | 131.4 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | 66.2 | 145.6 | 167.1 | -57.7 | 169.6 | 0 | 0 | 0 | 119.2 | ||||
| 3584 | S | 32.2 | Very low | 30.9 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | cis | -167.6 | 143.1 | -20 | 50.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 3585 | G | 31.7 | Very low | 30.8 | Very low | 75 Ų | 75 | 129.3 Ų | 129.3 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | 70.7 | 153.9 | 156 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 3586 | C | 31.4 | Very low | 31 | Very low | 124 Ų | 124 | 129 Ų | 129 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | cis | -154.3 | 153.2 | -15.4 | -134.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 3587 | S | 31.5 | Very low | 30.9 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | -3.7 | 133.9 | 160.7 | -54 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 3588 | E | 29.1 | Very low | 31.1 | Very low | 182 Ų | 182 | 130.2 Ų | 130.2 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | cis | 90.8 | 156.2 | 47.7 | -80.9 | -155 | 132.6 | 0 | 0 | 115.7 | ||||
| 3589 | S | 31.1 | Very low | 31 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | 74.6 | 149.3 | -179 | 83.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 3590 | S | 33.2 | Very low | 31 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | cis | -137.5 | 157.7 | 4.3 | 58.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 3591 | L | 28.9 | Very low | 30.9 | Very low | 173 Ų | 173 | 124.8 Ų | 124.8 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | trans | -105.7 | 140.6 | -179.4 | -74.5 | 163.2 | 0 | 0 | 0 | 111.6 | ||||
| 3592 | S | 31.4 | Very low | 31 | Very low | 103 Ų | 103 | 123 Ų | 123 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | -170.9 | 128.7 | 150.8 | 16.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 3593 | S | 29.8 | Very low | 30.9 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | 70.1 | 127.8 | 50 | 82.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 3594 | T | 29.1 | Very low | 31 | Very low | 124 Ų | 124 | 120.4 Ų | 120.4 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | cis | -157.9 | 162.8 | 10.5 | -16.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 3595 | S | 28.7 | Very low | 31.1 | Very low | 99 Ų | 99 | 121.5 Ų | 121.5 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | -13.6 | 145.2 | 159.5 | 57.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 3596 | T | 32.9 | Very low | 31.3 | Very low | 148 Ų | 148 | 123.5 Ų | 123.5 | 91% | 0.908 | 80% | 0.797 | S | S | * | * | -147.4 | 142.1 | 122 | 9.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 3597 | S | 29.2 | Very low | 31.4 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -100.2 | 164.4 | 174.6 | 54.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 3598 | L | 32.9 | Very low | 31.5 | Very low | 170 Ų | 170 | 129.4 Ų | 129.4 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | -170.7 | 162 | 123.7 | -101.6 | 165.9 | 0 | 0 | 0 | 111.4 | |||||
| 3599 | S | 28.6 | Very low | 31.5 | Very low | 111 Ų | 111 | 125.4 Ų | 125.4 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -133.4 | 152.6 | -166.6 | 55.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 3600 | S | 32.9 | Very low | 31.7 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -149.8 | 150.1 | 159.7 | 57.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 3601 | S | 29.5 | Very low | 31.5 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -155.8 | 139.8 | -168.1 | 57 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3602 | S | 33 | Very low | 31.5 | Very low | 105 Ų | 105 | 123.7 Ų | 123.7 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -161.9 | 127.9 | 163.9 | 51.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 3603 | T | 29.2 | Very low | 31.4 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | cis | 69.5 | 138.2 | 42.9 | 74.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 3604 | S | 33.9 | Very low | 31.2 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | cis | 175.8 | 136.6 | -21.4 | 48.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 3605 | S | 34.9 | Very low | 31.1 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 88% | 0.881 | 79% | 0.794 | S | S | * | * | trans | 175.2 | 158.3 | 152.3 | 51.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 3606 | S | 36.3 | Very low | 31 | Very low | 117 Ų | 117 | 126 Ų | 126 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | cis | -133.8 | 172.9 | 17.5 | 52.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 3607 | E | 32.5 | Very low | 30.7 | Very low | 180 Ų | 180 | 124.2 Ų | 124.2 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -91.9 | 157.9 | -170.7 | -57.1 | 163.5 | 126.7 | 0 | 0 | 112.6 | ||||
| 3608 | D | 34.4 | Very low | 30.6 | Very low | 168 Ų | 168 | 124.9 Ų | 124.9 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | -153.9 | 151.8 | 121.9 | -131.1 | -28.3 | 0 | 0 | 0 | 110.5 | |||||
| 3609 | S | 29.2 | Very low | 30.4 | Very low | 97 Ų | 97 | 120.2 Ų | 120.2 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | -123.1 | 150.1 | -169.1 | -69.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 3610 | I | 34.8 | Very low | 30.4 | Very low | 169 Ų | 169 | 118.8 Ų | 118.8 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | trans | -161.4 | 138.7 | 138.4 | -104.6 | 150.4 | 0 | 0 | 0 | 112.5 | ||||
| 3611 | S | 30.3 | Very low | 30.2 | Very low | 97 Ų | 97 | 121.8 Ų | 121.8 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | trans | -47.3 | 133 | -173.5 | 53.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 3612 | S | 27.6 | Very low | 30.2 | Very low | 106 Ų | 106 | 124.2 Ų | 124.2 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | trans | 14 | 135.6 | 130.4 | 62.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 3613 | L | 29.3 | Very low | 30 | Very low | 169 Ų | 169 | 124.1 Ų | 124.1 | 89% | 0.885 | 76% | 0.764 | S | S | * | * | -159.1 | 133.4 | 127.2 | -113.7 | 165.1 | 0 | 0 | 0 | 111.7 | |||||
| 3614 | S | 26 | Very low | 29.9 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -93.2 | 136.8 | 170.3 | 50.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 3615 | S | 27.7 | Very low | 29.6 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | 173 | 145.9 | 142.1 | 42.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 3616 | S | 25.5 | Very low | 29.5 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | trans | 24.6 | 108 | 146.8 | 61.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 3617 | S | 27.3 | Very low | 29.3 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | 48.3 | 154.9 | 117.7 | 65.2 | 0 | 0 | 0 | 0 | 123 | |||||
| 3618 | S | 27 | Very low | 29.3 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | 101.1 | 130.9 | 164.7 | 78.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 3619 | S | 28.4 | Very low | 29.2 | Very low | 71 Ų | 71 | 142.6 Ų | 142.6 | 50% | 0.497 | 78% | 0.781 | S | S | . | * | trans | -65.6 | 146.7 | 172.4 | 52.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 3620 | T | 28.8 | Very low | 29.4 | Very low | 82 Ų | 82 | 147.4 Ų | 147.4 | 50% | 0.503 | 79% | 0.79 | S | S | . | * | -165.4 | 110.9 | 129.8 | -63.5 | 0 | 0 | 0 | 0 | 110.3 | Q3622 | T3620-Q3622 VanDerWaalsContact C-N 3.33Å; T3620-Q3622 HydrophobicContact CG2-CB 3.58Å; T3620-Q3622 HydrophobicContact CG2-CG 3.59Å; T3620-Q3622 PolarHBondContact O-N 3.49Å; T3620-Q3622 VanDerWaalsContact O-N 3.09Å | |||
| 3621 | L | 28.4 | Very low | 29.4 | Very low | 187 Ų | 187 | 145.8 Ų | 145.8 | 98% | 0.979 | 79% | 0.788 | S | S | * | * | trans | -78.6 | 81.5 | 162.8 | -94 | 169.7 | 0 | 0 | 0 | 109.4 | S3623 | L3621-S3623 PolarHBondContact O-N 3.28Š| ||
| 3622 | Q | 29.2 | Very low | 29.5 | Very low | 164 Ų | 164 | 150 Ų | 150 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | -85.3 | 121.5 | -171.6 | -131.8 | 177.7 | 49.6 | 0 | 0 | 113.7 | T3620 R3624 | T3620-Q3622 VanDerWaalsContact C-N 3.33Å; T3620-Q3622 HydrophobicContact CG2-CB 3.58Å; T3620-Q3622 HydrophobicContact CG2-CG 3.59Å; T3620-Q3622 PolarHBondContact O-N 3.49Å; T3620-Q3622 VanDerWaalsContact O-N 3.09Å; Q3622-R3624 PolarHBondContact O-N 3.18Å | ||
| 3623 | S | 28.3 | Very low | 29.8 | Very low | 103 Ų | 103 | 152.2 Ų | 152.2 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | -44.1 | 122.4 | 173.7 | 55.4 | 0 | 0 | 0 | 0 | 115.3 | L3621 L3625 | L3621-S3623 PolarHBondContact O-N 3.28Å; S3623-L3625 PolarHBondContact O-N 3.13Å | ||
| 3624 | R | 27.7 | Very low | 29.9 | Very low | 254 Ų | 254 | 154.3 Ų | 154.3 | 96% | 0.958 | 82% | 0.817 | S | S | * | * | trans | -94.2 | 72.1 | 158.9 | -82.8 | -167.4 | 170.2 | -165.4 | -0.9 | 111.4 | Q3622 | Q3622-R3624 PolarHBondContact O-N 3.18Š| ||
| 3625 | L | 28.3 | Very low | 30.1 | Very low | 152 Ų | 152 | 156.8 Ų | 156.8 | 80% | 0.796 | 82% | 0.821 | S | S | * | * | trans | -153.2 | 67.8 | 175.6 | -127.2 | 171.9 | 0 | 0 | 0 | 113.7 | S3623 | S3623-L3625 PolarHBondContact O-N 3.13Š| ||
| 3626 | K | 31.6 | Very low | 30.3 | Very low | 207 Ų | 207 | 159.4 Ų | 159.4 | 90% | 0.9 | 82% | 0.824 | S | S | * | * | trans | -172.1 | 101.8 | 159.4 | -104.1 | 150.3 | -171.7 | 174 | 0 | 112.6 | ||||
| 3627 | Q | 33.4 | Very low | 30.5 | Very low | 203 Ų | 203 | 162.9 Ų | 162.9 | 95% | 0.949 | 83% | 0.833 | S | S | * | * | trans | -153.7 | 95.6 | 139.7 | -114.1 | -176.6 | 15.4 | 0 | 0 | 110.2 | ||||
| 3628 | K | 31.5 | Very low | 30.7 | Very low | 202 Ų | 202 | 166 Ų | 166 | 88% | 0.878 | 84% | 0.837 | S | S | * | * | trans | -83.2 | 122.5 | 163.8 | -81.7 | -177 | 173.2 | 179.9 | 0 | 108.5 | ||||
| 3629 | K | 32.9 | Very low | 31 | Very low | 193 Ų | 193 | 168.9 Ų | 168.9 | 84% | 0.839 | 84% | 0.837 | S | S | * | * | 170.4 | 129.4 | 127.8 | -97 | 163.9 | -178.2 | 177 | 0 | 113 | |||||
| 3630 | K | 33.3 | Very low | 31.1 | Very low | 198 Ų | 198 | 175.4 Ų | 175.4 | 86% | 0.861 | 86% | 0.859 | S | S | * | * | trans | 67.1 | 151.7 | 168 | -53 | 176.3 | 179.8 | -180 | 0 | 113.5 | ||||
| 3631 | T | 35.9 | Very low | 31.3 | Very low | 135 Ų | 135 | 182.1 Ų | 182.1 | 83% | 0.828 | 89% | 0.885 | S | S | * | * | cis | -132.5 | 157.2 | 12.4 | -47.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 3632 | K | 30.7 | Very low | 31.5 | Very low | 186 Ų | 186 | 181.7 Ų | 181.7 | 81% | 0.809 | 88% | 0.877 | S | S | * | * | trans | -70.9 | 143.6 | 170.2 | -57.9 | 176.9 | 174.4 | -173.3 | 0 | 110.9 | ||||
| 3633 | L | 35.2 | Very low | 31.7 | Very low | 153 Ų | 153 | 183.2 Ų | 183.2 | 80% | 0.801 | 89% | 0.887 | S | S | * | * | -167.5 | 163.4 | 107.2 | -128.6 | 70.8 | 0 | 0 | 0 | 110.3 | |||||
| 3634 | T | 32 | Very low | 32 | Very low | 212 Ų | 212 | 190.5 Ų | 190.5 | 100% | 1.301 | 90% | 0.902 | S | S | * | * | trans | 47.1 | 0 | -176.1 | 58.6 | 0 | 0 | 0 | 0 | 114.3 |
Retrieved 3,634 of 3,634 residues in 6957.3 ms
(Link to these results)