| 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 | I | 52.1 | Low | 62 | Low | 230 Ų | 230 | 130.9 Ų | 130.9 | 100% | 1.179 | 81% | 0.812 | S | S | * | * | 0 | 95.3 | 0 | -46.1 | 164.8 | 0 | 0 | 0 | 105.8 | |||||
| 2 | S | 43.8 | Very low | 62.8 | Low | 126 Ų | 126 | 134.8 Ų | 134.8 | 88% | 0.881 | 81% | 0.814 | S | S | * | * | trans | -97.6 | 109.2 | -177.8 | -148.4 | 0 | 0 | 0 | 0 | 107.9 | S4 | S2-S4 PolarHBondContact O-N 3.32Š| ||
| 3 | S | 62 | Low | 63.3 | Low | 107 Ų | 107 | 141.2 Ų | 141.2 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | -80.5 | 97.6 | 179.8 | 57.2 | 0 | 0 | 0 | 0 | 109.7 | V5 | S3-V5 PolarHBondContact O-N 2.81Š| ||
| 4 | S | 63.4 | Low | 63.9 | Low | 115 Ų | 115 | 147.4 Ų | 147.4 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -71 | 106.4 | 168.5 | 50.3 | 0 | 0 | 0 | 0 | 109.1 | S2 S6 | S2-S4 PolarHBondContact O-N 3.32Å; S4-S6 PolarHBondContact O-N 3.2Å | ||
| 5 | V | 61.4 | Low | 64 | Low | 127 Ų | 127 | 146.1 Ų | 146.1 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | trans | -72.8 | 107.3 | 169.9 | 168.9 | 0 | 0 | 0 | 0 | 107.9 | S3 V7 | S3-V5 PolarHBondContact O-N 2.81Å; V5-V7 PolarHBondContact O-N 2.9Å | ||
| 6 | S | 65.6 | Low | 64.7 | Low | 106 Ų | 106 | 143.4 Ų | 143.4 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | trans | -71.6 | 107.5 | 168.3 | 55 | 0 | 0 | 0 | 0 | 108.7 | S4 | S4-S6 PolarHBondContact O-N 3.2Š| ||
| 7 | V | 66.1 | Low | 65.4 | Low | 123 Ų | 123 | 141.2 Ų | 141.2 | 75% | 0.745 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 128.2 | 159.4 | -88.6 | 0 | 0 | 0 | 0 | 107.8 | V5 A9 | V5-V7 PolarHBondContact O-N 2.9Å; V7-A9 PolarHBondContact O-N 3.05Å; V7-A9 VanDerWaalsContact O-N 3.13Å |
| 8 | P | 64.8 | Low | 66.6 | Low | 118 Ų | 118 | 136.9 Ų | 136.9 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 126.3 | 171.8 | -23.9 | 32.6 | 0 | 0 | 0 | 108.3 | K10 | P8-K10 PolarHBondContact O-N 2.9Å; P8-K10 VanDerWaalsContact O-N 3.11Å |
| 9 | A | 67.1 | Low | 67.4 | Low | 93 Ų | 93 | 135.5 Ų | 135.5 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -50 | 125.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | V7 | V7-A9 PolarHBondContact O-N 3.05Å; V7-A9 VanDerWaalsContact O-N 3.13Å |
| 10 | K | 67.8 | Low | 68.2 | Low | 180 Ų | 180 | 134.3 Ų | 134.3 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | -42.4 | 121.2 | -177.7 | -169.1 | 148.1 | -170.9 | 160.1 | 0 | 107.7 | P8 E12 | P8-K10 PolarHBondContact O-N 2.9Å; P8-K10 VanDerWaalsContact O-N 3.11Å; K10-E12 PolarHBondContact O-N 3.35Å | ||
| 11 | P | 67.9 | Low | 69.1 | Low | 115 Ų | 115 | 135 Ų | 135 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | trans | -51.7 | 113.9 | -172.9 | 16 | -28.7 | 0 | 0 | 0 | 107 | R13 | P11-R13 PolarHBondContact O-N 3.2Š| ||
| 12 | E | 71.4 | Confident | 70.8 | Confident | 178 Ų | 178 | 129.3 Ų | 129.3 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | trans | -52.3 | 112.7 | -175.2 | -166.8 | 169.8 | -170.4 | 0 | 0 | 105.8 | K10 R14 | K10-E12 PolarHBondContact O-N 3.35Å; E12-R14 VanDerWaalsContact C-N 3.27Å; E12-R14 PolarHBondContact O-N 3.42Å | ||
| 13 | R | 69.9 | Low | 72.9 | Confident | 218 Ų | 218 | 126.8 Ų | 126.8 | 82% | 0.823 | 72% | 0.722 | S | S | * | * | trans | -62.1 | 102.8 | 176.8 | -87.2 | -169 | 169 | 100.3 | -2.2 | 104.4 | P11 | P11-R13 PolarHBondContact O-N 3.2Š| ||
| 14 | R | 71.9 | Confident | 74.4 | Confident | 227 Ų | 227 | 125.6 Ų | 125.6 | 86% | 0.857 | 71% | 0.707 | S | S | * | * | trans | -42.3 | 119.5 | 170.4 | -70.5 | -175.8 | 179 | 175.3 | -0.4 | 105.7 | E12 S16 | E12-R14 VanDerWaalsContact C-N 3.27Å; E12-R14 PolarHBondContact O-N 3.42Å; R14-S16 PolarHBondContact O-N 3.26Å | ||
| 15 | P | 64.4 | Low | 75.9 | Confident | 129 Ų | 129 | 127.1 Ų | 127.1 | 84% | 0.838 | 70% | 0.7 | S | S | * | * | trans | -57.3 | 106.7 | -175.6 | 20.2 | -30.6 | 0 | 0 | 0 | 107.1 | ||||
| 16 | S | 75.8 | Confident | 77.5 | Confident | 103 Ų | 103 | 125.8 Ų | 125.8 | 72% | 0.72 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 138.7 | 174.9 | 54 | 0 | 0 | 0 | 0 | 107.1 | R14 | R14-S16 PolarHBondContact O-N 3.26Š|
| 17 | L | 77.2 | Confident | 78.8 | Confident | 106 Ų | 106 | 126.2 Ų | 126.2 | 56% | 0.555 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 143.5 | 170.7 | -79.2 | 134.1 | 0 | 0 | 0 | 109.3 | K21 Q22 | L17-K21 HydrophobicContact CB-CB 4.37Å; L17-K21 HydrophobicContact CD2-CB 3.82Å; L17-K21 HydrophobicContact CD2-CD 4.4Å; L17-Q22 HydrophobicContact CB-CG 4.28Å; L17-Q22 PolarHBondContact O-NE2 3.32Å |
| 18 | P | 85.8 | Confident | 80.1 | Confident | 63 Ų | 63 | 124 Ų | 124 | 41% | 0.409 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -57.3 | 150.4 | 174.1 | 26 | -34.3 | 0 | 0 | 0 | 109.6 | S20 K21 Q22 | P18-S20 PolarHBondContact O-N 3.1Å; P18-K21 HydrophobicContact CG-CB 4.02Å; P18-K21 HydrophobicContact CG-CD 3.97Å; P18-K21 HydrophobicContact CG-CG 3.93Å; P18-K21 CarbonylContact O-C 3.6Å; P18-K21 PolarHBondContact O-N 2.93Å; P18-Q22 PolarHBondContact O-N 2.74Å |
| 19 | P | 81.5 | Confident | 81.6 | Confident | 110 Ų | 110 | 123.4 Ų | 123.4 | 71% | 0.714 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -51.3 | -32.9 | -176.6 | -28.3 | 34.9 | 0 | 0 | 0 | 114 | K21 Q22 | P19-K21 VanDerWaalsContact C-N 3.27Å; P19-K21 PolarHBondContact O-N 3.48Å; P19-Q22 PolarHBondContact O-N 3.16Å |
| 20 | S | 84.7 | Confident | 83 | Confident | 111 Ų | 111 | 125.7 Ų | 125.7 | 78% | 0.776 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -68.9 | -18.5 | 177.2 | 54.8 | 0 | 0 | 0 | 0 | 115.1 | P18 | P18-S20 PolarHBondContact O-N 3.1Š|
| 21 | K | 86.3 | Confident | 84.1 | Confident | 151 Ų | 151 | 119.9 Ų | 119.9 | 66% | 0.657 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -112.6 | 7.4 | 176.5 | -61.7 | -173.5 | 178.3 | -174.3 | 0 | 112.4 | L17 P18 P19 | L17-K21 HydrophobicContact CB-CB 4.37Å; L17-K21 HydrophobicContact CD2-CB 3.82Å; L17-K21 HydrophobicContact CD2-CD 4.4Å; P18-K21 HydrophobicContact CG-CB 4.02Å; P18-K21 HydrophobicContact CG-CD 3.97Å; P18-K21 HydrophobicContact CG-CG 3.93Å; P18-K21 CarbonylContact O-C 3.6Å; P18-K21 PolarHBondContact O-N 2.93Å; P19-K21 VanDerWaalsContact C-N 3.27Å; P19-K21 PolarHBondContact O-N 3.48Å |
| 22 | Q | 87.6 | Confident | 85.4 | Confident | 110 Ų | 110 | 118.2 Ų | 118.2 | 51% | 0.514 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -77.9 | 131.3 | 171.4 | -70 | 177.1 | 23.3 | 0 | 0 | 108.4 | L17 P18 P19 | L17-Q22 HydrophobicContact CB-CG 4.28Å; L17-Q22 PolarHBondContact O-NE2 3.32Å; P18-Q22 PolarHBondContact O-N 2.74Å; P19-Q22 PolarHBondContact O-N 3.16Å |
| 23 | A | 89.1 | Confident | 86.4 | Confident | 73 Ų | 73 | 112.9 Ų | 112.9 | 60% | 0.603 | 60% | 0.599 | S | S | * | * | trans | -61.4 | 142.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | K25 I28 | A23-K25 PolarHBondContact O-N 3.49Å; A23-I28 HydrophobicContact CB-CD1 3.37Å; A23-I28 HydrophobicContact CB-CG1 4.11Å | ||
| 24 | N | 93.1 | Very high | 87.4 | Confident | 81 Ų | 81 | 108.4 Ų | 108.4 | 43% | 0.433 | 59% | 0.588 | S | S | . | * | trans | -71.9 | 113.6 | -179.8 | -176.9 | -21.6 | 0 | 0 | 0 | 109.5 | N26 L27 I28 | N24-N26 PolarHBondContact O-N 2.96Å; N24-N26 VanDerWaalsContact O-N 3.07Å; N24-N26 WeakPolarHBondContact OD1-CB 3.36Å; N24-N26 PolarHBondContact OD1-N 2.78Å; N24-N26 PolarHBondContact OD1-ND2 3.35Å; N24-N26 VanDerWaalsContact OD1-ND2 3.13Å; N24-L27 HydrophobicContact CB-CB 4.16Å; N24-L27 HydrophobicContact CB-CD1 3.89Å; N24-L27 HydrophobicContact CB-CG 3.89Å; N24-L27 PolarHBondContact O-N 2.99Å; N24-I28 WeakPolarHBondContact O-CG1 3.44Å; N24-I28 PolarHBondContact O-N 3.44Å | ||
| 25 | K | 94.1 | Very high | 88.2 | Confident | 148 Ų | 148 | 100.2 Ų | 100.2 | 64% | 0.643 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -50 | -37.1 | 179.3 | 68.8 | 177.3 | -174.7 | 174.3 | 0 | 113 | A23 I28 L29 | A23-K25 PolarHBondContact O-N 3.49Å; K25-I28 PolarHBondContact O-N 2.93Å; K25-L29 WeakPolarHBondContact O-CB 3.49Å; K25-L29 WeakPolarHBondContact O-CG 3.43Å; K25-L29 PolarHBondContact O-N 2.94Å |
| 26 | N | 94.9 | Very high | 89.2 | Confident | 99 Ų | 99 | 99.7 Ų | 99.7 | 53% | 0.529 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -72 | -37.3 | -177.1 | -57.3 | -70.3 | 0 | 0 | 0 | 111.6 | N24 K30 | N24-N26 PolarHBondContact O-N 2.96Å; N24-N26 VanDerWaalsContact O-N 3.07Å; N24-N26 WeakPolarHBondContact OD1-CB 3.36Å; N24-N26 PolarHBondContact OD1-N 2.78Å; N24-N26 PolarHBondContact OD1-ND2 3.35Å; N24-N26 VanDerWaalsContact OD1-ND2 3.13Å; N26-K30 VanDerWaalsContact O-CB 3.26Å; N26-K30 WeakPolarHBondContact O-CB 3.21Å; N26-K30 PolarHBondContact O-N 3.47Å |
| 27 | L | 93.8 | Very high | 89.4 | Confident | 114 Ų | 114 | 99.8 Ų | 99.8 | 60% | 0.597 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -70.3 | -40.1 | 176.7 | -61.5 | -178.3 | 0 | 0 | 0 | 110.8 | N24 K30 A31 | N24-L27 HydrophobicContact CB-CB 4.16Å; N24-L27 HydrophobicContact CB-CD1 3.89Å; N24-L27 HydrophobicContact CB-CG 3.89Å; N24-L27 PolarHBondContact O-N 2.99Å; L27-K30 PolarHBondContact O-N 3.3Å; L27-A31 WeakPolarHBondContact O-CB 3.42Å; L27-A31 PolarHBondContact O-N 2.82Å |
| 28 | I | 93.8 | Very high | 89.2 | Confident | 78 Ų | 78 | 98 Ų | 98 | 40% | 0.4 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61 | -52 | 174.5 | -64.3 | 164.4 | 0 | 0 | 0 | 110.3 | A23 N24 K25 K30 A31 I32 | A23-I28 HydrophobicContact CB-CD1 3.37Å; A23-I28 HydrophobicContact CB-CG1 4.11Å; N24-I28 WeakPolarHBondContact O-CG1 3.44Å; N24-I28 PolarHBondContact O-N 3.44Å; K25-I28 PolarHBondContact O-N 2.93Å; I28-K30 VanDerWaalsContact C-N 3.33Å; I28-K30 PolarHBondContact O-N 3.33Å; I28-A31 PolarHBondContact O-N 3.45Å; I28-I32 HydrophobicContact CG2-CD1 3.7Å; I28-I32 HydrophobicContact CG2-CG1 4.45Å; I28-I32 VanDerWaalsContact O-CG1 3.3Å; I28-I32 WeakPolarHBondContact O-CG1 3.22Å; I28-I32 PolarHBondContact O-N 2.71Å |
| 29 | L | 95.2 | Very high | 88.7 | Confident | 105 Ų | 105 | 99 Ų | 99 | 55% | 0.55 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.7 | -44.8 | -179.5 | -72.6 | 172.3 | 0 | 0 | 0 | 111.4 | K25 I32 S33 | K25-L29 WeakPolarHBondContact O-CB 3.49Å; K25-L29 WeakPolarHBondContact O-CG 3.43Å; K25-L29 PolarHBondContact O-N 2.94Å; L29-I32 PolarHBondContact O-N 2.75Å; L29-S33 PolarHBondContact O-N 3.46Å; L29-S33 PolarHBondContact O-OG 2.82Å; L29-S33 VanDerWaalsContact O-OG 3.14Å |
| 30 | K | 95.9 | Very high | 88 | Confident | 140 Ų | 140 | 98.6 Ų | 98.6 | 61% | 0.609 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.5 | -47.5 | 177.7 | -173.2 | -175.7 | 174.9 | -165.3 | 0 | 111.9 | N26 L27 I28 I32 S33 E34 | N26-K30 VanDerWaalsContact O-CB 3.26Å; N26-K30 WeakPolarHBondContact O-CB 3.21Å; N26-K30 PolarHBondContact O-N 3.47Å; L27-K30 PolarHBondContact O-N 3.3Å; I28-K30 VanDerWaalsContact C-N 3.33Å; I28-K30 PolarHBondContact O-N 3.33Å; K30-I32 VanDerWaalsContact C-N 3.33Å; K30-I32 PolarHBondContact O-N 2.84Å; K30-S33 PolarHBondContact O-N 2.91Å; K30-E34 WeakPolarHBondContact O-CB 3.49Å; K30-E34 PolarHBondContact O-N 3.22Å |
| 31 | A | 92.9 | Very high | 87 | Confident | 58 Ų | 58 | 100 Ų | 100 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L27 I28 A35 | L27-A31 WeakPolarHBondContact O-CB 3.42Å; L27-A31 PolarHBondContact O-N 2.82Å; I28-A31 PolarHBondContact O-N 3.45Å; A31-A35 VanDerWaalsContact O-CB 3.31Å; A31-A35 WeakPolarHBondContact O-CB 3.42Å; A31-A35 PolarHBondContact O-N 3.11Å |
| 32 | I | 93.3 | Very high | 85.8 | Confident | 81 Ų | 81 | 97.8 Ų | 97.8 | 42% | 0.415 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.8 | -49.2 | 174.8 | -66.4 | 166 | 0 | 0 | 0 | 110.3 | I28 L29 K30 E34 A35 Q36 | I28-I32 HydrophobicContact CG2-CD1 3.7Å; I28-I32 HydrophobicContact CG2-CG1 4.45Å; I28-I32 VanDerWaalsContact O-CG1 3.3Å; I28-I32 WeakPolarHBondContact O-CG1 3.22Å; I28-I32 PolarHBondContact O-N 2.71Å; L29-I32 PolarHBondContact O-N 2.75Å; K30-I32 VanDerWaalsContact C-N 3.33Å; K30-I32 PolarHBondContact O-N 2.84Å; I32-E34 VanDerWaalsContact C-N 3.32Å; I32-E34 PolarHBondContact O-N 2.79Å; I32-A35 PolarHBondContact O-N 2.8Å; I32-Q36 HydrophobicContact CG2-CG 4.27Å; I32-Q36 WeakPolarHBondContact O-CB 3.26Å; I32-Q36 VanDerWaalsContact O-CG 3.25Å; I32-Q36 WeakPolarHBondContact O-CG 3.49Å; I32-Q36 PolarHBondContact O-N 2.91Å |
| 33 | S | 93.7 | Very high | 84.5 | Confident | 66 Ų | 66 | 95.3 Ų | 95.3 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 179.3 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | L29 K30 Q36 E37 | L29-S33 PolarHBondContact O-N 3.46Å; L29-S33 PolarHBondContact O-OG 2.82Å; L29-S33 VanDerWaalsContact O-OG 3.14Å; K30-S33 PolarHBondContact O-N 2.91Å; S33-Q36 PolarHBondContact O-N 3.4Å; S33-E37 WeakPolarHBondContact O-CB 3.32Å; S33-E37 PolarHBondContact O-N 2.95Å |
| 34 | E | 90.1 | Very high | 82.9 | Confident | 124 Ų | 124 | 98.5 Ų | 98.5 | 58% | 0.579 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.5 | -42.3 | 177.3 | -173.6 | 176 | 155.8 | 0 | 0 | 112 | K30 I32 E37 S38 | K30-E34 WeakPolarHBondContact O-CB 3.49Å; K30-E34 PolarHBondContact O-N 3.22Å; I32-E34 VanDerWaalsContact C-N 3.32Å; I32-E34 PolarHBondContact O-N 2.79Å; E34-E37 PolarHBondContact O-N 3.29Å; E34-S38 PolarHBondContact O-N 2.8Å |
| 35 | A | 88.1 | Confident | 80.7 | Confident | 54 Ų | 54 | 104.2 Ų | 104.2 | 45% | 0.446 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A31 I32 E37 S38 V39 | A31-A35 VanDerWaalsContact O-CB 3.31Å; A31-A35 WeakPolarHBondContact O-CB 3.42Å; A31-A35 PolarHBondContact O-N 3.11Å; I32-A35 PolarHBondContact O-N 2.8Å; A35-E37 VanDerWaalsContact C-N 3.34Å; A35-S38 WeakPolarHBondContact O-CB 3.41Å; A35-S38 PolarHBondContact O-N 3.24Å; A35-V39 VanDerWaalsContact O-CG2 3.31Å; A35-V39 WeakPolarHBondContact O-CG2 3.2Å; A35-V39 PolarHBondContact O-N 3.25Å |
| 36 | Q | 85.8 | Confident | 78.5 | Confident | 119 Ų | 119 | 100.8 Ų | 100.8 | 56% | 0.556 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.7 | -40.9 | 175.1 | -74.5 | 173.3 | -20.3 | 0 | 0 | 111.8 | I32 S33 S38 V39 T40 | I32-Q36 HydrophobicContact CG2-CG 4.27Å; I32-Q36 WeakPolarHBondContact O-CB 3.26Å; I32-Q36 VanDerWaalsContact O-CG 3.25Å; I32-Q36 WeakPolarHBondContact O-CG 3.49Å; I32-Q36 PolarHBondContact O-N 2.91Å; S33-Q36 PolarHBondContact O-N 3.4Å; Q36-S38 VanDerWaalsContact C-N 3.34Å; Q36-V39 PolarHBondContact O-N 2.85Å; Q36-T40 WeakPolarHBondContact O-CG2 3.31Å; Q36-T40 PolarHBondContact O-N 3.08Å; Q36-T40 PolarHBondContact O-OG1 3.03Å |
| 37 | E | 80.8 | Confident | 76.8 | Confident | 104 Ų | 104 | 102.2 Ų | 102.2 | 49% | 0.486 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.6 | -37 | 174.9 | -164.9 | -176.6 | 162.8 | 0 | 0 | 111.8 | S33 E34 A35 T40 K41 | S33-E37 WeakPolarHBondContact O-CB 3.32Å; S33-E37 PolarHBondContact O-N 2.95Å; E34-E37 PolarHBondContact O-N 3.29Å; A35-E37 VanDerWaalsContact C-N 3.34Å; E37-T40 WeakPolarHBondContact CA-OG1 3.14Å; E37-T40 PolarHBondContact O-OG1 3.39Å; E37-K41 HydrophobicContact CG-CD 4.43Å; E37-K41 VanDerWaalsContact O-CG 3.28Å; E37-K41 WeakPolarHBondContact O-CG 3.39Å; E37-K41 PolarHBondContact O-N 3.32Å; E37-K41 VanDerWaalsContact OE1-CE 3.28Å; E37-K41 WeakPolarHBondContact OE1-CE 3.46Å; E37-K41 IonicContact OE1-NZ 2.64Å; E37-K41 PolarHBondContact OE1-NZ 3.41Å |
| 38 | S | 72.4 | Confident | 74.6 | Confident | 69 Ų | 69 | 101.6 Ų | 101.6 | 48% | 0.483 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.3 | -41 | 175 | -174.9 | 0 | 0 | 0 | 0 | 112.9 | E34 A35 Q36 K41 T42 | E34-S38 PolarHBondContact O-N 2.8Å; A35-S38 WeakPolarHBondContact O-CB 3.41Å; A35-S38 PolarHBondContact O-N 3.24Å; Q36-S38 VanDerWaalsContact C-N 3.34Å; S38-K41 PolarHBondContact O-N 2.87Å; S38-T42 PolarHBondContact O-N 2.86Å; S38-T42 PolarHBondContact O-OG1 3.31Å |
| 39 | V | 75.4 | Confident | 72.7 | Confident | 83 Ų | 83 | 103 Ų | 103 | 50% | 0.503 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.8 | -47.5 | 176.2 | 169.7 | 0 | 0 | 0 | 0 | 110.5 | A35 Q36 K41 T42 T43 | A35-V39 VanDerWaalsContact O-CG2 3.31Å; A35-V39 WeakPolarHBondContact O-CG2 3.2Å; A35-V39 PolarHBondContact O-N 3.25Å; Q36-V39 PolarHBondContact O-N 2.85Å; V39-K41 VanDerWaalsContact C-N 3.29Å; V39-K41 PolarHBondContact O-N 2.98Å; V39-T42 PolarHBondContact O-N 2.95Å; V39-T43 HydrophobicContact CG1-CG2 3.87Å; V39-T43 WeakPolarHBondContact O-CA 3.37Å; V39-T43 VanDerWaalsContact O-CB 3.26Å; V39-T43 WeakPolarHBondContact O-CB 3.28Å; V39-T43 WeakPolarHBondContact O-CG2 3.19Å; V39-T43 PolarHBondContact O-N 3.05Å |
| 40 | T | 66.7 | Low | 70.8 | Confident | 102 Ų | 102 | 106.6 Ų | 106.6 | 63% | 0.626 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.1 | -26.5 | -179 | 49.7 | 0 | 0 | 0 | 0 | 113.7 | Q36 E37 | Q36-T40 WeakPolarHBondContact O-CG2 3.31Å; Q36-T40 PolarHBondContact O-N 3.08Å; Q36-T40 PolarHBondContact O-OG1 3.03Å; E37-T40 WeakPolarHBondContact CA-OG1 3.14Å; E37-T40 PolarHBondContact O-OG1 3.39Å |
| 41 | K | 64.7 | Low | 68.9 | Low | 140 Ų | 140 | 109.1 Ų | 109.1 | 61% | 0.609 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -77.2 | -29.1 | 175.4 | -74.9 | 173.7 | -177.3 | 169.7 | 0 | 114.1 | E37 S38 V39 | E37-K41 HydrophobicContact CG-CD 4.43Å; E37-K41 VanDerWaalsContact O-CG 3.28Å; E37-K41 WeakPolarHBondContact O-CG 3.39Å; E37-K41 PolarHBondContact O-N 3.32Å; E37-K41 VanDerWaalsContact OE1-CE 3.28Å; E37-K41 WeakPolarHBondContact OE1-CE 3.46Å; E37-K41 IonicContact OE1-NZ 2.64Å; E37-K41 PolarHBondContact OE1-NZ 3.41Å; S38-K41 PolarHBondContact O-N 2.87Å; V39-K41 VanDerWaalsContact C-N 3.29Å; V39-K41 PolarHBondContact O-N 2.98Å |
| 42 | T | 60.3 | Low | 67.3 | Low | 106 Ų | 106 | 114.2 Ų | 114.2 | 65% | 0.65 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -107.6 | -27.3 | -174.1 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | S38 V39 N44 | S38-T42 PolarHBondContact O-N 2.86Å; S38-T42 PolarHBondContact O-OG1 3.31Å; V39-T42 PolarHBondContact O-N 2.95Å; T42-N44 PolarHBondContact O-N 3.4Å |
| 43 | T | 60.3 | Low | 65.7 | Low | 58 Ų | 58 | 116.1 Ų | 116.1 | 36% | 0.356 | 63% | 0.625 | S | S | . | * | trans | -85.2 | 92.2 | 171.4 | -145.9 | 0 | 0 | 0 | 0 | 108.7 | V39 Y45 | V39-T43 HydrophobicContact CG1-CG2 3.87Å; V39-T43 WeakPolarHBondContact O-CA 3.37Å; V39-T43 VanDerWaalsContact O-CB 3.26Å; V39-T43 WeakPolarHBondContact O-CB 3.28Å; V39-T43 WeakPolarHBondContact O-CG2 3.19Å; V39-T43 PolarHBondContact O-N 3.05Å; T43-Y45 HydrophobicContact CG2-CD2 4.12Å; T43-Y45 PolarHBondContact O-N 3.44Å; T43-Y45 WeakPolarHBondContact OG1-CD2 3.47Å | ||
| 44 | N | 54.9 | Low | 64.4 | Low | 139 Ų | 139 | 118.7 Ų | 118.7 | 74% | 0.743 | 63% | 0.632 | S | S | * | * | trans | -71.2 | 60.5 | 165.8 | -74.1 | -88.4 | 0 | 0 | 0 | 110.1 | T42 S46 | T42-N44 PolarHBondContact O-N 3.4Å; N44-S46 PolarHBondContact O-N 3.44Å; N44-S46 VanDerWaalsContact O-N 3.11Å | ||
| 45 | Y | 47.2 | Very low | 62.9 | Low | 202 Ų | 202 | 118.7 Ų | 118.7 | 79% | 0.792 | 64% | 0.643 | S | S | * | * | trans | -80.4 | 57.4 | 144 | -65.2 | -71 | 0 | 0 | 0 | 107.2 | T43 T47 | T43-Y45 HydrophobicContact CG2-CD2 4.12Å; T43-Y45 PolarHBondContact O-N 3.44Å; T43-Y45 WeakPolarHBondContact OG1-CD2 3.47Å; Y45-T47 VanDerWaalsContact C-N 3.29Å; Y45-T47 PolarHBondContact O-N 3.21Å | ||
| 46 | S | 49 | Very low | 61.5 | Low | 75 Ų | 75 | 122.5 Ų | 122.5 | 52% | 0.524 | 66% | 0.661 | S | S | . | * | trans | -60.6 | 108 | 148.9 | -179.1 | 0 | 0 | 0 | 0 | 103.3 | N44 V48 | N44-S46 PolarHBondContact O-N 3.44Å; N44-S46 VanDerWaalsContact O-N 3.11Å; S46-V48 PolarHBondContact O-N 2.93Å | ||
| 47 | T | 58 | Low | 60.9 | Low | 130 Ų | 130 | 119.3 Ų | 119.3 | 80% | 0.798 | 66% | 0.655 | S | S | * | * | trans | -53.2 | 94.5 | 152.4 | -64.2 | 0 | 0 | 0 | 0 | 104.2 | Y45 P49 | Y45-T47 VanDerWaalsContact C-N 3.29Å; Y45-T47 PolarHBondContact O-N 3.21Å; T47-P49 WeakPolarHBondContact O-CD 3.23Å | ||
| 48 | V | 48.7 | Very low | 59.7 | Low | 101 Ų | 101 | 120.7 Ų | 120.7 | 61% | 0.612 | 67% | 0.673 | S | S | * | * | trans | -47.7 | 115.8 | 168.9 | 164.6 | 0 | 0 | 0 | 0 | 103.7 | S46 Q50 | S46-V48 PolarHBondContact O-N 2.93Å; V48-Q50 PolarHBondContact O-N 3.26Å | ||
| 49 | P | 53.9 | Low | 59.1 | Low | 107 Ų | 107 | 127.5 Ų | 127.5 | 70% | 0.695 | 69% | 0.688 | S | S | * | * | trans | -59.5 | 107 | 159.8 | -7.7 | 23.2 | 0 | 0 | 0 | 102.2 | T47 K51 | T47-P49 WeakPolarHBondContact O-CD 3.23Å; P49-K51 VanDerWaalsContact C-N 3.3Å; P49-K51 PolarHBondContact O-N 3.07Å | ||
| 50 | Q | 55.3 | Low | 57.7 | Low | 181 Ų | 181 | 129.8 Ų | 129.8 | 85% | 0.846 | 70% | 0.702 | S | S | * | * | trans | -49.9 | 108.9 | 173.8 | -86 | -168.2 | -2.1 | 0 | 0 | 104.7 | V48 Q52 | V48-Q50 PolarHBondContact O-N 3.26Å; Q50-Q52 PolarHBondContact O-N 3.29Å | ||
| 51 | K | 55.8 | Low | 56.6 | Low | 193 Ų | 193 | 136.6 Ų | 136.6 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | trans | -55.3 | 105.5 | 166 | -84.2 | -178.2 | 173.5 | 176.9 | 0 | 103.5 | P49 T53 | P49-K51 VanDerWaalsContact C-N 3.3Å; P49-K51 PolarHBondContact O-N 3.07Å; K51-T53 PolarHBondContact O-N 3.27Å | ||
| 52 | Q | 59 | Low | 55.8 | Low | 164 Ų | 164 | 136 Ų | 136 | 77% | 0.766 | 72% | 0.724 | S | S | * | * | trans | -62.2 | 84.8 | 169.3 | -179.1 | -178.3 | -0.9 | 0 | 0 | 106 | Q50 L54 | Q50-Q52 PolarHBondContact O-N 3.29Å; Q52-L54 HydrophobicContact CG-CD2 4.48Å; Q52-L54 PolarHBondContact O-N 2.87Å; Q52-L54 VanDerWaalsContact O-N 3.16Å | ||
| 53 | T | 58.9 | Low | 55 | Low | 122 Ų | 122 | 136.5 Ų | 136.5 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | trans | -76.6 | 100.2 | 164 | -63.3 | 0 | 0 | 0 | 0 | 105 | K51 | K51-T53 PolarHBondContact O-N 3.27Š| ||
| 54 | L | 66.3 | Low | 54.3 | Low | 119 Ų | 119 | 142.8 Ų | 142.8 | 62% | 0.623 | 76% | 0.758 | S | S | * | * | trans | -50.1 | 130 | 167.8 | -68.3 | 166.5 | 0 | 0 | 0 | 107.9 | Q52 V56 | Q52-L54 HydrophobicContact CG-CD2 4.48Å; Q52-L54 PolarHBondContact O-N 2.87Å; Q52-L54 VanDerWaalsContact O-N 3.16Å; L54-V56 PolarHBondContact O-N 3.23Å | ||
| 55 | P | 60.3 | Low | 53.8 | Low | 124 Ų | 124 | 145 Ų | 145 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | trans | -62.5 | 108.4 | 175.1 | 24.4 | -31.3 | 0 | 0 | 0 | 108.2 | A57 | P55-A57 PolarHBondContact O-N 3.38Å; P55-A57 VanDerWaalsContact O-N 3.1Å | ||
| 56 | V | 58.4 | Low | 53.8 | Low | 135 Ų | 135 | 143.8 Ų | 143.8 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -70.8 | 106.6 | 170.8 | 174.5 | 0 | 0 | 0 | 0 | 106.6 | L54 | L54-V56 PolarHBondContact O-N 3.23Š| ||
| 57 | A | 71.8 | Confident | 53.7 | Low | 52 Ų | 52 | 147 Ų | 147 | 43% | 0.43 | 78% | 0.776 | S | S | . | * | trans | -62.6 | 139.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | P55 R59 | P55-A57 PolarHBondContact O-N 3.38Å; P55-A57 VanDerWaalsContact O-N 3.1Å; A57-R59 PolarHBondContact O-N 2.85Å | ||
| 58 | P | 56.6 | Low | 53 | Low | 132 Ų | 132 | 148.3 Ų | 148.3 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | trans | -64.5 | 119.9 | 174 | -10.4 | 24.2 | 0 | 0 | 0 | 108.9 | ||||
| 59 | R | 59.2 | Low | 52.8 | Low | 213 Ų | 213 | 148.5 Ų | 148.5 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -128 | 105.4 | 171.6 | -81.6 | -170.2 | 168.3 | 90.6 | -1 | 112.1 | A57 | A57-R59 PolarHBondContact O-N 2.85Š| ||
| 60 | T | 46.2 | Very low | 52.3 | Low | 131 Ų | 131 | 152 Ų | 152 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 17.6 | 124 | 141.5 | 33.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 61 | R | 44.3 | Very low | 51.7 | Low | 245 Ų | 245 | 149.6 Ų | 149.6 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | trans | -40.7 | 124.6 | 162 | 175.6 | -173.8 | 175.3 | -172.5 | -1.1 | 115.3 | ||||
| 62 | T | 48.5 | Very low | 50.8 | Low | 126 Ų | 126 | 145.6 Ų | 145.6 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -148.7 | 95.1 | 156 | 56.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 63 | S | 41.5 | Very low | 49.7 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | 70.7 | 129.5 | 104.9 | 81.8 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 64 | Q | 46.8 | Very low | 48.6 | Very low | 190 Ų | 190 | 144 Ų | 144 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -66.3 | 140.1 | 179.8 | -68.9 | 164.2 | -48.3 | 0 | 0 | 113.7 | ||||
| 65 | E | 44.6 | Very low | 47.1 | Very low | 186 Ų | 186 | 146.9 Ų | 146.9 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | 157.4 | 132 | 149.9 | -104.2 | 177.4 | 124 | 0 | 0 | 104.4 | ||||
| 66 | E | 46.7 | Very low | 45.8 | Very low | 176 Ų | 176 | 145.1 Ų | 145.1 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | cis | -158.7 | 133.7 | 40.7 | -149 | 178.8 | 159.2 | 0 | 0 | 109 | ||||
| 67 | L | 46.3 | Very low | 44.8 | Very low | 143 Ų | 143 | 149.9 Ų | 149.9 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | -65.8 | 143.8 | 164.4 | -105.4 | 155.7 | 0 | 0 | 0 | 108.8 | ||||
| 68 | L | 43.9 | Very low | 43.2 | Very low | 157 Ų | 157 | 153.9 Ų | 153.9 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | 76.8 | 101.7 | 153.5 | -50.3 | 164.2 | 0 | 0 | 0 | 117.9 | ||||
| 69 | A | 43.9 | Very low | 42.3 | Very low | 105 Ų | 105 | 153.6 Ų | 153.6 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | -164.1 | 119.5 | 128.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 70 | E | 44.8 | Very low | 41.3 | Very low | 181 Ų | 181 | 154.7 Ų | 154.7 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -58.2 | 175.4 | 169.3 | -171.9 | 178.3 | 144.6 | 0 | 0 | 112.8 | ||||
| 71 | V | 41.2 | Very low | 40.8 | Very low | 130 Ų | 130 | 156.5 Ų | 156.5 | 79% | 0.788 | 81% | 0.814 | S | S | * | * | trans | 100.6 | 128.5 | 170.5 | -176.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 72 | V | 37.5 | Very low | 40.4 | Very low | 110 Ų | 110 | 149.4 Ų | 149.4 | 67% | 0.667 | 80% | 0.803 | S | S | * | * | cis | 175.5 | 142 | -15.5 | 125.9 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 73 | Q | 35.7 | Very low | 40 | Very low | 189 Ų | 189 | 149.1 Ų | 149.1 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | 72.1 | 128.4 | 146.7 | -164.3 | 169.2 | 21 | 0 | 0 | 122.3 | ||||
| 74 | G | 36.3 | Very low | 39.7 | Very low | 62 Ų | 62 | 149.7 Ų | 149.7 | 64% | 0.639 | 80% | 0.804 | S | S | * | * | 125.9 | 101.2 | 125.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 75 | Q | 34.8 | Very low | 39.4 | Very low | 181 Ų | 181 | 148 Ų | 148 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | 55.8 | 112.8 | 128.9 | -99.5 | 175.1 | -74.8 | 0 | 0 | 122.9 | |||||
| 76 | S | 32.1 | Very low | 39 | Very low | 86 Ų | 86 | 148.1 Ų | 148.1 | 60% | 0.601 | 80% | 0.797 | S | S | * | * | 57.4 | 119.8 | 120.4 | 76.8 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 77 | R | 38.8 | Very low | 38.6 | Very low | 235 Ų | 235 | 147.8 Ų | 147.8 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | 145.4 | 124.8 | 118.6 | -80.5 | -179.6 | 174.5 | 162.9 | -0.8 | 112 | |||||
| 78 | T | 37.8 | Very low | 37.9 | Very low | 136 Ų | 136 | 148.4 Ų | 148.4 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -62.7 | 151.8 | 158.2 | 42.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 79 | P | 36.6 | Very low | 37.3 | Very low | 127 Ų | 127 | 148.4 Ų | 148.4 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | -141.4 | 153.4 | 118.2 | 14.8 | 8.2 | 0 | 0 | 0 | 116.3 | |||||
| 80 | R | 38.2 | Very low | 36.8 | Very low | 236 Ų | 236 | 148.8 Ų | 148.8 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | trans | -55.9 | 158.3 | 173.9 | -63.5 | 179.1 | 172.8 | 170.3 | -2.7 | 113.9 | ||||
| 81 | I | 37 | Very low | 36.8 | Very low | 168 Ų | 168 | 150.2 Ų | 150.2 | 86% | 0.862 | 79% | 0.785 | S | S | * | * | -179.2 | 143.4 | 127.5 | -82.9 | 145.4 | 0 | 0 | 0 | 109.7 | |||||
| 82 | S | 35.7 | Very low | 36.4 | Very low | 97 Ų | 97 | 147.6 Ų | 147.6 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 164.3 | -174.8 | 47.5 | 0 | 0 | 0 | 0 | 117.7 | ||
| 83 | P | 39.8 | Very low | 36.5 | Very low | 120 Ų | 120 | 149.6 Ų | 149.6 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 142.1 | 168.9 | 34.9 | -29 | 0 | 0 | 0 | 112.8 | ||
| 84 | P | 35 | Very low | 36.7 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 150.3 | 163.2 | 34.8 | -27.2 | 0 | 0 | 0 | 112.9 | ||
| 85 | I | 39.9 | Very low | 37.4 | Very low | 155 Ų | 155 | 147.9 Ų | 147.9 | 80% | 0.795 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 143.9 | -176.6 | -59.5 | 147.9 | 0 | 0 | 0 | 111.3 | ||
| 86 | K | 37.7 | Very low | 37.8 | Very low | 189 Ų | 189 | 147.8 Ų | 147.8 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -155.6 | 114.2 | 149.7 | -66.1 | -160.8 | 177 | -174.6 | 0 | 107.7 | ||||
| 87 | E | 37.8 | Very low | 38.5 | Very low | 169 Ų | 169 | 152.2 Ų | 152.2 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | 58.5 | 127.3 | 91.2 | -66.3 | 174 | 173.1 | 0 | 0 | 110.6 | |||||
| 88 | E | 31.5 | Very low | 39.2 | Very low | 155 Ų | 155 | 146.5 Ų | 146.5 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | 172.5 | 150.9 | 55.7 | -168.4 | -172.6 | 116.1 | 0 | 0 | 107.9 | |||||
| 89 | E | 30.4 | Very low | 39.7 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | 55.7 | 138.8 | 152.1 | -86.4 | -167.3 | 169.3 | 0 | 0 | 121.1 | ||||
| 90 | T | 33.5 | Very low | 40.3 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 69% | 0.693 | 77% | 0.765 | S | S | * | * | cis | -165.8 | 138.2 | 43.8 | 21 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 91 | K | 45.4 | Very low | 41.1 | Very low | 210 Ų | 210 | 138.6 Ų | 138.6 | 91% | 0.913 | 75% | 0.749 | S | S | * | * | trans | 18.1 | 117.7 | 137.2 | -168.5 | 173.5 | -176.4 | 176.8 | 0 | 117.9 | ||||
| 92 | G | 32.2 | Very low | 42.1 | Very low | 76 Ų | 76 | 136.4 Ų | 136.4 | 78% | 0.784 | 74% | 0.739 | S | S | * | * | trans | -171.5 | 84.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 93 | D | 41.1 | Very low | 43.1 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 81% | 0.807 | 73% | 0.733 | S | S | * | * | trans | -58.4 | 130.9 | 164.7 | 178.4 | 32.3 | 0 | 0 | 0 | 110 | ||||
| 94 | S | 40.5 | Very low | 43.9 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | trans | -153.7 | 112.7 | 160.2 | -171.9 | 0 | 0 | 0 | 0 | 110.8 | E96 | S94-E96 PolarHBondContact O-N 3.1Š| ||
| 95 | V | 49.5 | Very low | 45.2 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 66% | 0.661 | 71% | 0.712 | S | S | * | * | trans | -71.5 | 96.7 | 177 | 171.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 96 | E | 44.6 | Very low | 46.7 | Very low | 180 Ų | 180 | 131.5 Ų | 131.5 | 84% | 0.841 | 70% | 0.697 | S | S | * | * | trans | -152.8 | 70 | 163.3 | -78.7 | -160.3 | 149 | 0 | 0 | 111.9 | S94 | S94-E96 PolarHBondContact O-N 3.1Š| ||
| 97 | K | 45.3 | Very low | 48.2 | Very low | 178 Ų | 178 | 124 Ų | 124 | 77% | 0.774 | 67% | 0.674 | S | S | * | * | trans | -131.8 | 11.6 | 174 | -69.2 | -170.5 | -179.8 | 175.4 | 0 | 116.1 | ||||
| 98 | N | 54.2 | Low | 49.8 | Very low | 116 Ų | 116 | 118.9 Ų | 118.9 | 62% | 0.62 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -92.8 | -8.8 | -170.9 | -66 | -63.4 | 0 | 0 | 0 | 115.4 | L102 | N98-L102 WeakPolarHBondContact O-CD1 3.32Å; N98-L102 WeakPolarHBondContact O-CG 3.36Å |
| 99 | Q | 48.2 | Very low | 51.7 | Low | 179 Ų | 179 | 117.6 Ų | 117.6 | 84% | 0.836 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -90.2 | -27.9 | -172.8 | -156.4 | 155.8 | 38 | 0 | 0 | 113.9 | ||
| 100 | G | 49.2 | Very low | 53.8 | Low | 46 Ų | 46 | 116 Ų | 116 | 47% | 0.474 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -75.1 | -41.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L102 S103 F104 | G100-L102 PolarHBondContact O-N 3.37Å; G100-S103 PolarHBondContact O-N 3.34Å; G100-S103 PolarHBondContact O-OG 2.85Å; G100-F104 PolarHBondContact O-N 3.39Å |
| 101 | D | 55.3 | Low | 56 | Low | 107 Ų | 107 | 115.9 Ų | 115.9 | 57% | 0.572 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.8 | -35 | -175.2 | -70.6 | -9.4 | 0 | 0 | 0 | 112.8 | L105 | D101-L105 WeakPolarHBondContact O-CB 3.34Å; D101-L105 PolarHBondContact O-N 2.9Å |
| 102 | L | 56.8 | Low | 57.6 | Low | 123 Ų | 123 | 111.4 Ų | 111.4 | 64% | 0.644 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.1 | -35.1 | 178.3 | -71.3 | 171.1 | 0 | 0 | 0 | 112.6 | N98 G100 S106 | N98-L102 WeakPolarHBondContact O-CD1 3.32Å; N98-L102 WeakPolarHBondContact O-CG 3.36Å; G100-L102 PolarHBondContact O-N 3.37Å; L102-S106 WeakPolarHBondContact O-CB 3.18Å; L102-S106 PolarHBondContact O-N 3.45Å |
| 103 | S | 57.1 | Low | 59.9 | Low | 79 Ų | 79 | 112.3 Ų | 112.3 | 55% | 0.552 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.3 | -38.5 | 178.7 | 70.1 | 0 | 0 | 0 | 0 | 112.1 | G100 S106 G107 | G100-S103 PolarHBondContact O-N 3.34Å; G100-S103 PolarHBondContact O-OG 2.85Å; S103-S106 PolarHBondContact O-N 3.39Å; S103-G107 PolarHBondContact O-N 3.31Å |
| 104 | F | 56.7 | Low | 61.8 | Low | 152 Ų | 152 | 111.8 Ų | 111.8 | 67% | 0.667 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.6 | -44.9 | 176 | -167.6 | -96.5 | 0 | 0 | 0 | 111.1 | G100 S106 G107 C108 | G100-F104 PolarHBondContact O-N 3.39Å; F104-S106 VanDerWaalsContact C-N 3.33Å; F104-S106 PolarHBondContact O-N 2.97Å; F104-G107 PolarHBondContact O-N 3.05Å; F104-C108 PolarHBondContact O-N 2.79Å; F104-C108 PolarHBondContact O-SG 3.34Å |
| 105 | L | 62.3 | Low | 63.8 | Low | 95 Ų | 95 | 110.9 Ų | 110.9 | 50% | 0.497 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -58.9 | -44.9 | 172.4 | -107.8 | 72.4 | 0 | 0 | 0 | 111.2 | D101 G107 C108 F109 | D101-L105 WeakPolarHBondContact O-CB 3.34Å; D101-L105 PolarHBondContact O-N 2.9Å; L105-G107 VanDerWaalsContact C-N 3.32Å; L105-G107 PolarHBondContact O-N 2.79Å; L105-C108 PolarHBondContact O-N 2.94Å; L105-F109 HydrophobicContact CB-CD2 4.41Å; L105-F109 HydrophobicContact CB-CE2 4.49Å; L105-F109 HydrophobicContact CD2-CE2 4.22Å; L105-F109 HydrophobicContact CG-CE2 4.36Å; L105-F109 WeakPolarHBondContact O-CD2 3.18Å; L105-F109 PolarHBondContact O-N 3.06Å |
| 106 | S | 71.2 | Confident | 65.2 | Low | 70 Ų | 70 | 111.2 Ų | 111.2 | 49% | 0.49 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60 | -40.8 | 179.7 | -173.4 | 0 | 0 | 0 | 0 | 112.3 | L102 S103 F104 F109 Q110 | L102-S106 WeakPolarHBondContact O-CB 3.18Å; L102-S106 PolarHBondContact O-N 3.45Å; S103-S106 PolarHBondContact O-N 3.39Å; F104-S106 VanDerWaalsContact C-N 3.33Å; F104-S106 PolarHBondContact O-N 2.97Å; S106-F109 PolarHBondContact O-N 2.92Å; S106-Q110 PolarHBondContact O-N 3.02Å |
| 107 | G | 69 | Low | 66.9 | Low | 33 Ų | 33 | 106.1 Ų | 106.1 | 34% | 0.34 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.3 | -48.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S103 F104 L105 F109 Q110 D111 | S103-G107 PolarHBondContact O-N 3.31Å; F104-G107 PolarHBondContact O-N 3.05Å; L105-G107 VanDerWaalsContact C-N 3.32Å; L105-G107 PolarHBondContact O-N 2.79Å; G107-F109 VanDerWaalsContact C-N 3.29Å; G107-F109 PolarHBondContact O-N 3.42Å; G107-Q110 WeakPolarHBondContact O-CB 3.31Å; G107-Q110 PolarHBondContact O-N 3.01Å; G107-Q110 VanDerWaalsContact O-N 3.08Å; G107-D111 PolarHBondContact O-N 2.98Å |
| 108 | C | 71.3 | Confident | 68.7 | Low | 61 Ų | 61 | 101.2 Ų | 101.2 | 41% | 0.412 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.7 | -34.9 | 177.2 | -62.8 | 0 | 0 | 0 | 0 | 113.2 | F104 L105 L112 | F104-C108 PolarHBondContact O-N 2.79Å; F104-C108 PolarHBondContact O-SG 3.34Å; L105-C108 PolarHBondContact O-N 2.94Å; C108-L112 WeakPolarHBondContact O-CB 3.47Å; C108-L112 PolarHBondContact O-N 2.94Å |
| 109 | F | 71.6 | Confident | 70 | Confident | 127 Ų | 127 | 101.2 Ų | 101.2 | 56% | 0.557 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.9 | -40.7 | 173.5 | -88.1 | -72.7 | 0 | 0 | 0 | 111.7 | L105 S106 G107 L112 L113 | L105-F109 HydrophobicContact CB-CD2 4.41Å; L105-F109 HydrophobicContact CB-CE2 4.49Å; L105-F109 HydrophobicContact CD2-CE2 4.22Å; L105-F109 HydrophobicContact CG-CE2 4.36Å; L105-F109 WeakPolarHBondContact O-CD2 3.18Å; L105-F109 PolarHBondContact O-N 3.06Å; S106-F109 PolarHBondContact O-N 2.92Å; G107-F109 VanDerWaalsContact C-N 3.29Å; G107-F109 PolarHBondContact O-N 3.42Å; F109-L112 PolarHBondContact O-N 3.24Å; F109-L113 VanDerWaalsContact O-CG 3.31Å; F109-L113 WeakPolarHBondContact O-CG 3.45Å; F109-L113 PolarHBondContact O-N 3.33Å |
| 110 | Q | 75.3 | Confident | 71.4 | Confident | 126 Ų | 126 | 97.9 Ų | 97.9 | 59% | 0.589 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.9 | -43.3 | 177.8 | -157.9 | 72.3 | 60.7 | 0 | 0 | 111.5 | S106 G107 L112 L113 F114 | S106-Q110 PolarHBondContact O-N 3.02Å; G107-Q110 WeakPolarHBondContact O-CB 3.31Å; G107-Q110 PolarHBondContact O-N 3.01Å; G107-Q110 VanDerWaalsContact O-N 3.08Å; Q110-L112 VanDerWaalsContact C-N 3.34Å; Q110-L112 PolarHBondContact O-N 3.07Å; Q110-L113 PolarHBondContact O-N 3.33Å; Q110-F114 PolarHBondContact O-N 3.38Å |
| 111 | D | 78.3 | Confident | 72.6 | Confident | 110 Ų | 110 | 100.3 Ų | 100.3 | 59% | 0.588 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.3 | -40.8 | 176.6 | -68 | -27.9 | 0 | 0 | 0 | 111.4 | G107 F114 V115 | G107-D111 PolarHBondContact O-N 2.98Å; D111-F114 WeakPolarHBondContact O-CB 3.28Å; D111-F114 PolarHBondContact O-N 3.33Å; D111-V115 WeakPolarHBondContact O-CG2 3.49Å; D111-V115 PolarHBondContact O-N 3Å |
| 112 | L | 79.6 | Confident | 73.6 | Confident | 116 Ų | 116 | 101 Ų | 101 | 61% | 0.607 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.2 | -39.6 | 178.1 | -173.4 | 62.8 | 0 | 0 | 0 | 112.2 | C108 F109 Q110 F114 V115 F116 | C108-L112 WeakPolarHBondContact O-CB 3.47Å; C108-L112 PolarHBondContact O-N 2.94Å; F109-L112 PolarHBondContact O-N 3.24Å; Q110-L112 VanDerWaalsContact C-N 3.34Å; Q110-L112 PolarHBondContact O-N 3.07Å; L112-F114 VanDerWaalsContact C-N 3.33Å; L112-V115 PolarHBondContact O-N 3.44Å; L112-F116 WeakPolarHBondContact O-CB 3.4Å; L112-F116 PolarHBondContact O-N 3.37Å |
| 113 | L | 80.4 | Confident | 74.4 | Confident | 95 Ų | 95 | 101.3 Ų | 101.3 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 173.8 | -71.6 | 173.4 | 0 | 0 | 0 | 111.3 | F109 Q110 F116 D117 | F109-L113 VanDerWaalsContact O-CG 3.31Å; F109-L113 WeakPolarHBondContact O-CG 3.45Å; F109-L113 PolarHBondContact O-N 3.33Å; Q110-L113 PolarHBondContact O-N 3.33Å; L113-F116 PolarHBondContact O-N 3.2Å; L113-D117 WeakPolarHBondContact O-CB 3.46Å; L113-D117 PolarHBondContact O-N 2.64Å |
| 114 | F | 82.1 | Confident | 74.7 | Confident | 139 Ų | 139 | 99.7 Ų | 99.7 | 61% | 0.61 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.4 | -44 | 174.8 | -177.7 | -99.8 | 0 | 0 | 0 | 112.1 | Q110 D111 L112 F116 D117 V118 | Q110-F114 PolarHBondContact O-N 3.38Å; D111-F114 WeakPolarHBondContact O-CB 3.28Å; D111-F114 PolarHBondContact O-N 3.33Å; L112-F114 VanDerWaalsContact C-N 3.33Å; F114-F116 VanDerWaalsContact C-N 3.32Å; F114-F116 PolarHBondContact O-N 3.12Å; F114-D117 PolarHBondContact O-N 2.92Å; F114-V118 HydrophobicContact CD1-CG2 4.24Å; F114-V118 HydrophobicContact CE1-CG2 3.85Å; F114-V118 HydrophobicContact CE2-CG2 4.37Å; F114-V118 HydrophobicContact CZ-CG2 3.93Å; F114-V118 WeakPolarHBondContact O-CG2 3.43Å; F114-V118 PolarHBondContact O-N 3.27Å |
| 115 | V | 81.7 | Confident | 75.1 | Confident | 87 Ų | 87 | 95.1 Ų | 95.1 | 53% | 0.527 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 175.4 | 172.9 | 0 | 0 | 0 | 0 | 111 | D111 L112 V118 L119 | D111-V115 WeakPolarHBondContact O-CG2 3.49Å; D111-V115 PolarHBondContact O-N 3Å; L112-V115 PolarHBondContact O-N 3.44Å; V115-V118 PolarHBondContact O-N 3.4Å; V115-L119 VanDerWaalsContact O-CB 3.23Å; V115-L119 WeakPolarHBondContact O-CB 3.28Å; V115-L119 PolarHBondContact O-N 2.92Å |
| 116 | F | 79.8 | Confident | 75.4 | Confident | 116 Ų | 116 | 94.7 Ų | 94.7 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 175.6 | -172.9 | -97.3 | 0 | 0 | 0 | 111.7 | L112 L113 F114 L119 Q120 | L112-F116 WeakPolarHBondContact O-CB 3.4Å; L112-F116 PolarHBondContact O-N 3.37Å; L113-F116 PolarHBondContact O-N 3.2Å; F114-F116 VanDerWaalsContact C-N 3.32Å; F114-F116 PolarHBondContact O-N 3.12Å; F116-L119 PolarHBondContact O-N 2.94Å; F116-Q120 WeakPolarHBondContact O-CB 3.31Å; F116-Q120 PolarHBondContact O-N 3.02Å |
| 117 | D | 78.6 | Confident | 75.2 | Confident | 74 Ų | 74 | 100 Ų | 100 | 40% | 0.396 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 176.7 | -77.5 | -19.6 | 0 | 0 | 0 | 112 | L113 F114 Q120 F121 | L113-D117 WeakPolarHBondContact O-CB 3.46Å; L113-D117 PolarHBondContact O-N 2.64Å; F114-D117 PolarHBondContact O-N 2.92Å; D117-Q120 PolarHBondContact O-N 2.86Å; D117-F121 WeakPolarHBondContact O-CB 3.36Å; D117-F121 PolarHBondContact O-N 3.36Å |
| 118 | V | 83.1 | Confident | 74.7 | Confident | 74 Ų | 74 | 106.5 Ų | 106.5 | 45% | 0.448 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 176.3 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | F114 V115 F121 H122 | F114-V118 HydrophobicContact CD1-CG2 4.24Å; F114-V118 HydrophobicContact CE1-CG2 3.85Å; F114-V118 HydrophobicContact CE2-CG2 4.37Å; F114-V118 HydrophobicContact CZ-CG2 3.93Å; F114-V118 WeakPolarHBondContact O-CG2 3.43Å; F114-V118 PolarHBondContact O-N 3.27Å; V115-V118 PolarHBondContact O-N 3.4Å; V118-F121 PolarHBondContact O-N 2.98Å; V118-H122 WeakPolarHBondContact O-CB 3.25Å; V118-H122 PolarHBondContact O-N 2.96Å |
| 119 | L | 83.2 | Confident | 74.2 | Confident | 117 Ų | 117 | 107.1 Ų | 107.1 | 61% | 0.613 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.2 | -38.5 | 179.3 | -159.6 | 73.7 | 0 | 0 | 0 | 111.3 | V115 F116 H122 Y123 | V115-L119 VanDerWaalsContact O-CB 3.23Å; V115-L119 WeakPolarHBondContact O-CB 3.28Å; V115-L119 PolarHBondContact O-N 2.92Å; F116-L119 PolarHBondContact O-N 2.94Å; L119-H122 PolarHBondContact O-N 3.29Å; L119-Y123 VanDerWaalsContact O-CB 3.28Å; L119-Y123 WeakPolarHBondContact O-CB 3.49Å; L119-Y123 PolarHBondContact O-N 3.41Å |
| 120 | Q | 77.4 | Confident | 73.6 | Confident | 109 Ų | 109 | 105 Ų | 105 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.2 | -39.9 | 174.9 | -174.4 | 149.1 | -68.6 | 0 | 0 | 111.3 | F116 D117 Y123 D124 | F116-Q120 WeakPolarHBondContact O-CB 3.31Å; F116-Q120 PolarHBondContact O-N 3.02Å; D117-Q120 PolarHBondContact O-N 2.86Å; Q120-Y123 PolarHBondContact O-N 3.47Å; Q120-D124 WeakPolarHBondContact O-CB 3.47Å; Q120-D124 PolarHBondContact O-N 2.82Å |
| 121 | F | 73.5 | Confident | 72.7 | Confident | 97 Ų | 97 | 103.3 Ų | 103.3 | 43% | 0.425 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.3 | -48.8 | 171 | 173.4 | -97 | 0 | 0 | 0 | 111.1 | D117 V118 Y123 D124 V125 F134 | D117-F121 WeakPolarHBondContact O-CB 3.36Å; D117-F121 PolarHBondContact O-N 3.36Å; V118-F121 PolarHBondContact O-N 2.98Å; F121-Y123 VanDerWaalsContact C-N 3.34Å; F121-Y123 PolarHBondContact O-N 3.28Å; F121-D124 PolarHBondContact O-N 3.5Å; F121-V125 HydrophobicContact CD1-CG2 4.37Å; F121-V125 HydrophobicContact CD2-CG2 4.37Å; F121-V125 HydrophobicContact CE1-CG2 3.93Å; F121-V125 HydrophobicContact CE2-CG2 3.93Å; F121-V125 HydrophobicContact CZ-CG2 3.66Å; F121-V125 WeakPolarHBondContact O-CB 3.38Å; F121-V125 WeakPolarHBondContact O-CG2 3.3Å; F121-V125 PolarHBondContact O-N 2.97Å; F121-F134 HydrophobicContact CE2-CE1 4.01Å; F121-F134 HydrophobicContact CE2-CE2 4.29Å; F121-F134 AromaticContact CE2-CZ 3.61Å; F121-F134 HydrophobicContact CE2-CZ 3.61Å; F121-F134 HydrophobicContact CZ-CE1 4.16Å; F121-F134 HydrophobicContact CZ-CE2 4.26Å; F121-F134 AromaticContact CZ-CZ 3.47Å; F121-F134 HydrophobicContact CZ-CZ 3.47Å; F121-F134 VanDerWaalsContact CZ-CZ 3.47Å |
| 122 | H | 75.8 | Confident | 71.4 | Confident | 120 Ų | 120 | 106.1 Ų | 106.1 | 56% | 0.556 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.3 | -38.7 | 178.2 | -172.8 | -87.1 | 0 | 0 | 0 | 112.5 | V118 L119 S126 | V118-H122 WeakPolarHBondContact O-CB 3.25Å; V118-H122 PolarHBondContact O-N 2.96Å; L119-H122 PolarHBondContact O-N 3.29Å; H122-S126 VanDerWaalsContact O-CB 3.32Å; H122-S126 WeakPolarHBondContact O-CB 3.26Å; H122-S126 PolarHBondContact O-N 3.31Å; H122-S126 PolarHBondContact O-OG 3.17Å |
| 123 | Y | 73.6 | Confident | 70.2 | Confident | 131 Ų | 131 | 106.1 Ų | 106.1 | 51% | 0.514 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 176.2 | -179.6 | -98 | 0 | 0 | 0 | 112 | L119 Q120 F121 S126 R127 | L119-Y123 VanDerWaalsContact O-CB 3.28Å; L119-Y123 WeakPolarHBondContact O-CB 3.49Å; L119-Y123 PolarHBondContact O-N 3.41Å; Q120-Y123 PolarHBondContact O-N 3.47Å; F121-Y123 VanDerWaalsContact C-N 3.34Å; F121-Y123 PolarHBondContact O-N 3.28Å; Y123-S126 PolarHBondContact O-N 3.14Å; Y123-R127 HydrophobicContact CE1-CG 4.24Å; Y123-R127 HydrophobicContact CE2-CG 4.41Å; Y123-R127 WeakPolarHBondContact O-CB 3.43Å; Y123-R127 PolarHBondContact O-N 2.96Å; Y123-R127 VanDerWaalsContact O-N 3.1Å; Y123-R127 VanDerWaalsContact OH-CZ 3.27Å; Y123-R127 PolarHBondContact OH-NE 3.01Å; Y123-R127 VanDerWaalsContact OH-NE 3.12Å; Y123-R127 PolarHBondContact OH-NH2 2.9Å |
| 124 | D | 64.4 | Low | 68.9 | Low | 45 Ų | 45 | 107.3 Ų | 107.3 | 24% | 0.241 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -69.2 | -42.1 | 178.7 | -159.6 | 63.3 | 0 | 0 | 0 | 111.3 | Q120 F121 S126 R127 R128 | Q120-D124 WeakPolarHBondContact O-CB 3.47Å; Q120-D124 PolarHBondContact O-N 2.82Å; F121-D124 PolarHBondContact O-N 3.5Å; D124-S126 VanDerWaalsContact C-N 3.3Å; D124-S126 PolarHBondContact O-N 3.36Å; D124-R127 PolarHBondContact O-N 3.22Å; D124-R128 PolarHBondContact O-N 2.95Å; D124-R128 IonicContact OD1-CZ 3.26Å; D124-R128 VanDerWaalsContact OD1-CZ 3.26Å; D124-R128 IonicContact OD1-NE 2.87Å; D124-R128 PolarHBondContact OD1-NE 3.07Å; D124-R128 IonicContact OD1-NH2 2.8Å; D124-R128 PolarHBondContact OD1-NH2 3.13Å |
| 125 | V | 65.9 | Low | 67.5 | Low | 56 Ų | 56 | 104.5 Ų | 104.5 | 34% | 0.339 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.9 | -39.8 | 172.1 | 169.9 | 0 | 0 | 0 | 0 | 112 | F121 F130 | F121-V125 HydrophobicContact CD1-CG2 4.37Å; F121-V125 HydrophobicContact CD2-CG2 4.37Å; F121-V125 HydrophobicContact CE1-CG2 3.93Å; F121-V125 HydrophobicContact CE2-CG2 3.93Å; F121-V125 HydrophobicContact CZ-CG2 3.66Å; F121-V125 WeakPolarHBondContact O-CB 3.38Å; F121-V125 WeakPolarHBondContact O-CG2 3.3Å; F121-V125 PolarHBondContact O-N 2.97Å; V125-F130 HydrophobicContact CG2-CD2 4.19Å; V125-F130 HydrophobicContact CG2-CE2 4.44Å |
| 126 | S | 68.1 | Low | 66.1 | Low | 85 Ų | 85 | 105.7 Ų | 105.7 | 59% | 0.594 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -73.1 | -26.5 | -179.6 | -63 | 0 | 0 | 0 | 0 | 113.4 | H122 Y123 D124 | H122-S126 VanDerWaalsContact O-CB 3.32Å; H122-S126 WeakPolarHBondContact O-CB 3.26Å; H122-S126 PolarHBondContact O-N 3.31Å; H122-S126 PolarHBondContact O-OG 3.17Å; Y123-S126 PolarHBondContact O-N 3.14Å; D124-S126 VanDerWaalsContact C-N 3.3Å; D124-S126 PolarHBondContact O-N 3.36Å |
| 127 | R | 65.6 | Low | 64.9 | Low | 181 Ų | 181 | 108.5 Ų | 108.5 | 68% | 0.683 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -94 | -34.2 | -178.1 | -85.8 | -102.8 | -164.5 | 164.9 | 2 | 113.2 | Y123 D124 | Y123-R127 HydrophobicContact CE1-CG 4.24Å; Y123-R127 HydrophobicContact CE2-CG 4.41Å; Y123-R127 WeakPolarHBondContact O-CB 3.43Å; Y123-R127 PolarHBondContact O-N 2.96Å; Y123-R127 VanDerWaalsContact O-N 3.1Å; Y123-R127 VanDerWaalsContact OH-CZ 3.27Å; Y123-R127 PolarHBondContact OH-NE 3.01Å; Y123-R127 VanDerWaalsContact OH-NE 3.12Å; Y123-R127 PolarHBondContact OH-NH2 2.9Å; D124-R127 PolarHBondContact O-N 3.22Å |
| 128 | R | 60.5 | Low | 63.7 | Low | 171 Ų | 171 | 111.1 Ų | 111.1 | 65% | 0.645 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -126.6 | 92.1 | -173.7 | -66.8 | -172 | -105.3 | -136.6 | 0 | 107.4 | D124 F130 | D124-R128 PolarHBondContact O-N 2.95Å; D124-R128 IonicContact OD1-CZ 3.26Å; D124-R128 VanDerWaalsContact OD1-CZ 3.26Å; D124-R128 IonicContact OD1-NE 2.87Å; D124-R128 PolarHBondContact OD1-NE 3.07Å; D124-R128 IonicContact OD1-NH2 2.8Å; D124-R128 PolarHBondContact OD1-NH2 3.13Å; R128-F130 PolarHBondContact O-N 2.99Å |
| 129 | G | 59.8 | Low | 62.2 | Low | 73 Ų | 73 | 112.6 Ų | 112.6 | 75% | 0.753 | 55% | 0.553 | S | S | * | * | trans | -43.6 | 116.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 130 | F | 59.6 | Low | 61 | Low | 84 Ų | 84 | 112 Ų | 112 | 37% | 0.368 | 55% | 0.554 | S | S | . | * | trans | -53.6 | 130.8 | -167.2 | -142.8 | -98.4 | 0 | 0 | 0 | 110.8 | V125 R128 I133 F134 | V125-F130 HydrophobicContact CG2-CD2 4.19Å; V125-F130 HydrophobicContact CG2-CE2 4.44Å; R128-F130 PolarHBondContact O-N 2.99Å; F130-I133 HydrophobicContact CE2-CB 4.43Å; F130-I133 HydrophobicContact CZ-CB 4.13Å; F130-F134 AromaticContact CD1-CD2 3.95Å; F130-F134 HydrophobicContact CD1-CD2 3.95Å; F130-F134 HydrophobicContact CD1-CE2 4.16Å; F130-F134 HydrophobicContact CD2-CE2 4.42Å; F130-F134 HydrophobicContact CE1-CB 4.32Å; F130-F134 AromaticContact CE1-CD2 3.06Å; F130-F134 HydrophobicContact CE1-CD2 3.06Å; F130-F134 AromaticContact CE1-CE2 3.59Å; F130-F134 HydrophobicContact CE1-CE2 3.59Å; F130-F134 HydrophobicContact CE1-CG 4.03Å; F130-F134 AromaticContact CE2-CD2 3.96Å; F130-F134 HydrophobicContact CE2-CD2 3.96Å; F130-F134 AromaticContact CE2-CE2 3.77Å; F130-F134 HydrophobicContact CE2-CE2 3.77Å; F130-F134 HydrophobicContact CZ-CB 4.31Å; F130-F134 AromaticContact CZ-CD2 3.03Å; F130-F134 HydrophobicContact CZ-CD2 3.03Å; F130-F134 AromaticContact CZ-CE2 3.33Å; F130-F134 HydrophobicContact CZ-CE2 3.33Å; F130-F134 AromaticContact CZ-CG 3.82Å; F130-F134 HydrophobicContact CZ-CG 3.82Å; F130-F134 HydrophobicContact CZ-CZ 4.37Å | ||
| 131 | P | 55 | Low | 59.7 | Low | 89 Ų | 89 | 116.8 Ų | 116.8 | 58% | 0.578 | 57% | 0.567 | S | S | * | * | -141.8 | 159.6 | 88.2 | 23.5 | -0.6 | 0 | 0 | 0 | 114.4 | |||||
| 132 | F | 51.5 | Low | 58.6 | Low | 169 Ų | 169 | 118.3 Ų | 118.3 | 74% | 0.741 | 57% | 0.574 | S | S | * | * | S | Bend | trans | 115.1 | 2.8 | 157.6 | -60.6 | -75.2 | 0 | 0 | 0 | 121.1 | ||
| 133 | I | 55.2 | Low | 57.3 | Low | 116 Ų | 116 | 119 Ų | 119 | 60% | 0.595 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -96.5 | -4.8 | 174.8 | -56.4 | -74.5 | 0 | 0 | 0 | 114 | F130 | F130-I133 HydrophobicContact CE2-CB 4.43Å; F130-I133 HydrophobicContact CZ-CB 4.13Å |
| 134 | F | 53.4 | Low | 56.1 | Low | 121 Ų | 121 | 116.7 Ų | 116.7 | 53% | 0.531 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -73 | -34.1 | -177.1 | -87.2 | -63.9 | 0 | 0 | 0 | 117.1 | F121 F130 V136 | F121-F134 HydrophobicContact CE2-CE1 4.01Å; F121-F134 HydrophobicContact CE2-CE2 4.29Å; F121-F134 AromaticContact CE2-CZ 3.61Å; F121-F134 HydrophobicContact CE2-CZ 3.61Å; F121-F134 HydrophobicContact CZ-CE1 4.16Å; F121-F134 HydrophobicContact CZ-CE2 4.26Å; F121-F134 AromaticContact CZ-CZ 3.47Å; F121-F134 HydrophobicContact CZ-CZ 3.47Å; F121-F134 VanDerWaalsContact CZ-CZ 3.47Å; F130-F134 AromaticContact CD1-CD2 3.95Å; F130-F134 HydrophobicContact CD1-CD2 3.95Å; F130-F134 HydrophobicContact CD1-CE2 4.16Å; F130-F134 HydrophobicContact CD2-CE2 4.42Å; F130-F134 HydrophobicContact CE1-CB 4.32Å; F130-F134 AromaticContact CE1-CD2 3.06Å; F130-F134 HydrophobicContact CE1-CD2 3.06Å; F130-F134 AromaticContact CE1-CE2 3.59Å; F130-F134 HydrophobicContact CE1-CE2 3.59Å; F130-F134 HydrophobicContact CE1-CG 4.03Å; F130-F134 AromaticContact CE2-CD2 3.96Å; F130-F134 HydrophobicContact CE2-CD2 3.96Å; F130-F134 AromaticContact CE2-CE2 3.77Å; F130-F134 HydrophobicContact CE2-CE2 3.77Å; F130-F134 HydrophobicContact CZ-CB 4.31Å; F130-F134 AromaticContact CZ-CD2 3.03Å; F130-F134 HydrophobicContact CZ-CD2 3.03Å; F130-F134 AromaticContact CZ-CE2 3.33Å; F130-F134 HydrophobicContact CZ-CE2 3.33Å; F130-F134 AromaticContact CZ-CG 3.82Å; F130-F134 HydrophobicContact CZ-CG 3.82Å; F130-F134 HydrophobicContact CZ-CZ 4.37Å; F134-V136 PolarHBondContact O-N 2.9Å |
| 135 | P | 51.5 | Low | 55.6 | Low | 79 Ų | 79 | 121.6 Ų | 121.6 | 51% | 0.513 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -76.7 | -27.3 | -169 | -16.5 | 30.1 | 0 | 0 | 0 | 114.9 | N139 | P135-N139 PolarHBondContact O-ND2 2.77Å |
| 136 | V | 52.4 | Low | 54.9 | Low | 113 Ų | 113 | 129 Ų | 129 | 69% | 0.685 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -80.8 | -41 | -173.2 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | F134 | F134-V136 PolarHBondContact O-N 2.9Å |
| 137 | W | 54.4 | Low | 53.9 | Low | 174 Ų | 174 | 132.4 Ų | 132.4 | 66% | 0.659 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.1 | -38.6 | 180 | -167.4 | -99.2 | 0 | 0 | 0 | 112.7 | N139 V140 W141 | W137-N139 VanDerWaalsContact C-N 3.3Å; W137-N139 PolarHBondContact O-N 2.92Å; W137-V140 PolarHBondContact O-N 2.84Å; W137-W141 PolarHBondContact O-N 2.79Å |
| 138 | Y | 54.8 | Low | 52.7 | Low | 129 Ų | 129 | 136.9 Ų | 136.9 | 51% | 0.506 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -63.4 | -34.9 | 179.9 | -171 | -97.4 | 0 | 0 | 0 | 112.7 | K142 | Y138-K142 HydrophobicContact CE1-CD 3.94Å; Y138-K142 WeakPolarHBondContact O-CB 3.18Å; Y138-K142 PolarHBondContact O-N 3.11Å |
| 139 | N | 50.4 | Low | 52.3 | Low | 105 Ų | 105 | 135.2 Ų | 135.2 | 56% | 0.561 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -73.5 | -33.1 | 179 | -83.9 | -75.5 | 0 | 0 | 0 | 113.3 | P135 W137 H143 | P135-N139 PolarHBondContact O-ND2 2.77Å; W137-N139 VanDerWaalsContact C-N 3.3Å; W137-N139 PolarHBondContact O-N 2.92Å; N139-H143 PolarHBondContact O-N 3.28Å |
| 140 | V | 57.9 | Low | 51.9 | Low | 104 Ų | 104 | 138.4 Ų | 138.4 | 63% | 0.63 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -71.1 | -34.5 | 177.4 | 168.6 | 0 | 0 | 0 | 0 | 112 | W137 | W137-V140 PolarHBondContact O-N 2.84Å |
| 141 | W | 51.5 | Low | 51.5 | Low | 211 Ų | 211 | 141.4 Ų | 141.4 | 80% | 0.799 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -82.3 | -30.1 | -179.2 | -167.7 | 58.2 | 0 | 0 | 0 | 113.4 | W137 | W137-W141 PolarHBondContact O-N 2.79Å |
| 142 | K | 48.8 | Very low | 51.3 | Low | 129 Ų | 129 | 144.5 Ų | 144.5 | 56% | 0.561 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -85 | -23.4 | -177.1 | -142 | -162 | -172.6 | -173.6 | 0 | 114.6 | Y138 | Y138-K142 HydrophobicContact CE1-CD 3.94Å; Y138-K142 WeakPolarHBondContact O-CB 3.18Å; Y138-K142 PolarHBondContact O-N 3.11Å |
| 143 | H | 48.2 | Very low | 51.3 | Low | 133 Ų | 133 | 143 Ų | 143 | 62% | 0.616 | 68% | 0.675 | S | S | * | * | trans | -132.7 | 89.7 | 175.3 | -74 | -78.2 | 0 | 0 | 0 | 109.5 | N139 I145 | N139-H143 PolarHBondContact O-N 3.28Å; H143-I145 PolarHBondContact O-N 3.13Å | ||
| 144 | P | 48.8 | Very low | 51 | Low | 84 Ų | 84 | 144.8 Ų | 144.8 | 55% | 0.545 | 68% | 0.68 | S | S | . | * | trans | -60.8 | 117.4 | 163.6 | 27.8 | -30.6 | 0 | 0 | 0 | 105.4 | Y146 | P144-Y146 HydrophobicContact CG-CE2 4.3Å; P144-Y146 WeakPolarHBondContact O-CD2 3.35Å; P144-Y146 PolarHBondContact O-N 3.2Å | ||
| 145 | I | 55.4 | Low | 50.8 | Low | 147 Ų | 147 | 146.5 Ų | 146.5 | 75% | 0.754 | 69% | 0.691 | S | S | * | * | trans | -57.1 | 103.4 | -179.6 | -61.1 | 172.9 | 0 | 0 | 0 | 106.7 | H143 L147 | H143-I145 PolarHBondContact O-N 3.13Å; I145-L147 HydrophobicContact CG2-CD1 3.7Å; I145-L147 PolarHBondContact O-N 3.26Å | ||
| 146 | Y | 49.9 | Very low | 50.8 | Low | 211 Ų | 211 | 151.7 Ų | 151.7 | 83% | 0.827 | 71% | 0.705 | S | S | * | * | trans | -68 | 89.9 | 167.4 | -78.5 | -89.4 | 0 | 0 | 0 | 106.5 | P144 K148 | P144-Y146 HydrophobicContact CG-CE2 4.3Å; P144-Y146 WeakPolarHBondContact O-CD2 3.35Å; P144-Y146 PolarHBondContact O-N 3.2Å; Y146-K148 PolarHBondContact O-N 3.18Å | ||
| 147 | L | 46.7 | Very low | 50.6 | Low | 158 Ų | 158 | 154.9 Ų | 154.9 | 83% | 0.827 | 71% | 0.706 | S | S | * | * | trans | -70 | 115.1 | 164.3 | -127.3 | 72.3 | 0 | 0 | 0 | 106.7 | I145 | I145-L147 HydrophobicContact CG2-CD1 3.7Å; I145-L147 PolarHBondContact O-N 3.26Å | ||
| 148 | K | 40.7 | Very low | 50.3 | Low | 274 Ų | 274 | 153.2 Ų | 153.2 | 100% | 1.191 | 71% | 0.711 | S | S | * | * | trans | -87.2 | 0 | 175.6 | -173.2 | 161 | -176.9 | 155.2 | 0 | 110.3 | Y146 | Y146-K148 PolarHBondContact O-N 3.18Š|
Retrieved 148 of 148 residues in 59.4 ms
(Link to these results)