| 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 | 20.2 | Very low | 29.8 | Very low | 220 Ų | 220 | 135 Ų | 135 | 100% | 1.084 | 74% | 0.735 | S | S | * | * | 0 | 146.6 | 0 | -54.7 | -168 | 84 | 0 | 0 | 108.8 | |||||
| 2 | Y | 25 | Very low | 30.1 | Very low | 196 Ų | 196 | 134.2 Ų | 134.2 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | cis | -173.3 | 175.1 | -27.2 | -105.2 | -65.7 | 0 | 0 | 0 | 105.2 | A4 | Y2-A4 PolarHBondContact O-N 3.39Š| ||
| 3 | S | 30.1 | Very low | 30.7 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 37.2 | 61.7 | 149.2 | 57.1 | 0 | 0 | 0 | 0 | 118.6 | N5 | S3-N5 PolarHBondContact O-N 2.89Š|
| 4 | A | 25.2 | Very low | 31.6 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 74% | 0.744 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 39.8 | 63.4 | 147.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | Y2 | Y2-A4 PolarHBondContact O-N 3.39Š|
| 5 | N | 26.8 | Very low | 32 | Very low | 149 Ų | 149 | 131.3 Ų | 131.3 | 80% | 0.797 | 69% | 0.69 | S | S | * | * | trans | -125.8 | 57.2 | 163.6 | -111.2 | -41 | 0 | 0 | 0 | 111.7 | S3 | S3-N5 PolarHBondContact O-N 2.89Š| ||
| 6 | T | 28.8 | Very low | 32.2 | Very low | 137 Ų | 137 | 128.4 Ų | 128.4 | 84% | 0.84 | 68% | 0.675 | S | S | * | * | trans | -103.2 | 49.9 | -168.1 | 45.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 7 | S | 28.8 | Very low | 32.8 | Very low | 72 Ų | 72 | 126.9 Ų | 126.9 | 50% | 0.503 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -116.2 | -10.2 | -170.2 | 54.7 | 0 | 0 | 0 | 0 | 117.1 | ||
| 8 | H | 31 | Very low | 33.2 | Very low | 152 Ų | 152 | 123.6 Ų | 123.6 | 70% | 0.704 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -133.1 | 3.9 | -173.7 | -81.2 | -18.2 | 0 | 0 | 0 | 118.3 | Q12 | H8-Q12 PolarHBondContact O-NE2 3.36Š|
| 9 | F | 34.3 | Very low | 33.3 | Very low | 194 Ų | 194 | 120.5 Ų | 120.5 | 85% | 0.851 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -90.3 | -38 | 176.5 | -121.8 | -85.6 | 0 | 0 | 0 | 114.3 | ||
| 10 | S | 33.7 | Very low | 33.5 | Very low | 86 Ų | 86 | 117.4 Ų | 117.4 | 60% | 0.601 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -83.5 | -35.3 | -173.2 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | Q12 L13 | S10-Q12 PolarHBondContact O-N 3Å; S10-L13 WeakPolarHBondContact O-CB 3.47Å; S10-L13 PolarHBondContact O-N 2.78Å |
| 11 | D | 44 | Very low | 33.7 | Very low | 81 Ų | 81 | 118.5 Ų | 118.5 | 43% | 0.433 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.5 | -14.1 | -178.7 | -81.5 | -50.4 | 0 | 0 | 0 | 113.9 | L13 R14 L15 | D11-L13 PolarHBondContact O-N 3.36Å; D11-R14 WeakPolarHBondContact O-CB 3.39Å; D11-R14 PolarHBondContact O-N 3.28Å; D11-R14 VanDerWaalsContact O-N 3.16Å; D11-R14 VanDerWaalsContact OD1-CD 3.27Å; D11-R14 WeakPolarHBondContact OD1-CD 3.45Å; D11-R14 IonicContact OD1-NH1 2.77Å; D11-L15 PolarHBondContact O-N 2.89Å |
| 12 | Q | 33 | Very low | 34.6 | Very low | 125 Ų | 125 | 112.1 Ų | 112.1 | 58% | 0.584 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.6 | -31.1 | 169.3 | -60.1 | -165.7 | 22.8 | 0 | 0 | 112.2 | H8 S10 L15 L16 | H8-Q12 PolarHBondContact O-NE2 3.36Å; S10-Q12 PolarHBondContact O-N 3Å; Q12-L15 WeakPolarHBondContact O-CB 3.36Å; Q12-L15 PolarHBondContact O-N 2.93Å; Q12-L16 PolarHBondContact O-N 2.96Å |
| 13 | L | 38.3 | Very low | 35.2 | Very low | 121 Ų | 121 | 103.9 Ų | 103.9 | 63% | 0.634 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70.3 | -38.5 | 176.1 | -157.7 | 76 | 0 | 0 | 0 | 111.5 | S10 D11 L16 I17 | S10-L13 WeakPolarHBondContact O-CB 3.47Å; S10-L13 PolarHBondContact O-N 2.78Å; D11-L13 PolarHBondContact O-N 3.36Å; L13-L16 WeakPolarHBondContact O-CB 3.36Å; L13-L16 PolarHBondContact O-N 3.46Å; L13-I17 PolarHBondContact O-N 2.79Å |
| 14 | R | 43.1 | Very low | 35.7 | Very low | 135 Ų | 135 | 104.9 Ų | 104.9 | 51% | 0.509 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 171.6 | -78.7 | 174.3 | 150.2 | -175.9 | -11.4 | 111.2 | D11 L16 I17 V18 D1918 | D11-R14 WeakPolarHBondContact O-CB 3.39Å; D11-R14 PolarHBondContact O-N 3.28Å; D11-R14 VanDerWaalsContact O-N 3.16Å; D11-R14 VanDerWaalsContact OD1-CD 3.27Å; D11-R14 WeakPolarHBondContact OD1-CD 3.45Å; D11-R14 IonicContact OD1-NH1 2.77Å; R14-L16 VanDerWaalsContact C-N 3.33Å; R14-L16 PolarHBondContact O-N 2.74Å; R14-I17 PolarHBondContact O-N 3.31Å; R14-V18 WeakPolarHBondContact O-CG2 3.44Å; R14-V18 PolarHBondContact O-N 3.23Å; R14-D1918 IonicContact CZ-OD1 3.97Å; R14-D1918 IonicContact NH2-OD1 2.76Å; R14-D1918 PolarHBondContact NH2-OD1 3.35Å; R14-D1918 IonicContact NH2-OD2 2.85Å; R14-D1918 PolarHBondContact NH2-OD2 3.46Å |
| 15 | L | 37.4 | Very low | 36.5 | Very low | 104 Ų | 104 | 100.9 Ų | 100.9 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 173.4 | -165.8 | 70.9 | 0 | 0 | 0 | 111.9 | D11 Q12 I17 V18 L19 | D11-L15 PolarHBondContact O-N 2.89Å; Q12-L15 WeakPolarHBondContact O-CB 3.36Å; Q12-L15 PolarHBondContact O-N 2.93Å; L15-I17 PolarHBondContact O-N 3.07Å; L15-V18 PolarHBondContact O-N 3.05Å; L15-L19 HydrophobicContact CD2-CD1 4.22Å; L15-L19 HydrophobicContact CG-CD1 3.88Å; L15-L19 HydrophobicContact CG-CG 4.26Å; L15-L19 WeakPolarHBondContact O-CB 3.39Å; L15-L19 VanDerWaalsContact O-CG 3.24Å; L15-L19 WeakPolarHBondContact O-CG 3.49Å; L15-L19 PolarHBondContact O-N 3.07Å |
| 16 | L | 36.3 | Very low | 37.4 | Very low | 84 Ų | 84 | 98.5 Ų | 98.5 | 44% | 0.44 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59 | -45.9 | 175 | -109.9 | 166.1 | 0 | 0 | 0 | 112.7 | Q12 L13 R14 L19 S20 L128 | Q12-L16 PolarHBondContact O-N 2.96Å; L13-L16 WeakPolarHBondContact O-CB 3.36Å; L13-L16 PolarHBondContact O-N 3.46Å; R14-L16 VanDerWaalsContact C-N 3.33Å; R14-L16 PolarHBondContact O-N 2.74Å; L16-L19 PolarHBondContact O-N 2.85Å; L16-S20 PolarHBondContact O-N 2.72Å; L16-S20 VanDerWaalsContact O-N 3.11Å; L16-L128 HydrophobicContact CD2-CD2 3.66Å |
| 17 | I | 41.3 | Very low | 38.3 | Very low | 104 Ų | 104 | 96.5 Ų | 96.5 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 178.2 | -65.7 | 171.7 | 0 | 0 | 0 | 110.6 | L13 R14 L15 S20 | L13-I17 PolarHBondContact O-N 2.79Å; R14-I17 PolarHBondContact O-N 3.31Å; L15-I17 PolarHBondContact O-N 3.07Å; I17-S20 WeakPolarHBondContact O-CB 3.29Å; I17-S20 PolarHBondContact O-N 2.9Å; I17-S20 PolarHBondContact O-OG 2.85Å |
| 18 | V | 40.6 | Very low | 39.3 | Very low | 66 Ų | 66 | 93.1 Ų | 93.1 | 40% | 0.4 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 175.1 | 169 | 0 | 0 | 0 | 0 | 111.5 | R14 L15 S20 K21 F22 N1988 | R14-V18 WeakPolarHBondContact O-CG2 3.44Å; R14-V18 PolarHBondContact O-N 3.23Å; L15-V18 PolarHBondContact O-N 3.05Å; V18-S20 PolarHBondContact O-N 2.88Å; V18-K21 PolarHBondContact O-N 3.01Å; V18-F22 HydrophobicContact CG1-CD2 4.34Å; V18-F22 PolarHBondContact O-N 2.96Å; V18-N1988 WeakPolarHBondContact CG1-ND2 3.2Å; V18-N1988 PolarHBondContact O-ND2 3.37Å |
| 19 | L | 34.8 | Very low | 40.5 | Very low | 66 Ų | 66 | 86.6 Ų | 86.6 | 35% | 0.346 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.7 | -6.1 | 175.7 | -75.5 | 173 | 0 | 0 | 0 | 114.2 | L15 L16 I23 K132 | L15-L19 HydrophobicContact CD2-CD1 4.22Å; L15-L19 HydrophobicContact CG-CD1 3.88Å; L15-L19 HydrophobicContact CG-CG 4.26Å; L15-L19 WeakPolarHBondContact O-CB 3.39Å; L15-L19 VanDerWaalsContact O-CG 3.24Å; L15-L19 WeakPolarHBondContact O-CG 3.49Å; L15-L19 PolarHBondContact O-N 3.07Å; L16-L19 PolarHBondContact O-N 2.85Å; L19-I23 WeakPolarHBondContact O-CD1 3.5Å; L19-I23 WeakPolarHBondContact O-CG1 3.5Å; L19-K132 WeakPolarHBondContact O-CE 3.48Å; L19-K132 PolarHBondContact O-NZ 2.96Å |
| 20 | S | 37.6 | Very low | 41.7 | Very low | 57 Ų | 57 | 84.4 Ų | 84.4 | 40% | 0.399 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -81.5 | -55.7 | 171.2 | 76 | 0 | 0 | 0 | 0 | 111.1 | L16 I17 V18 | L16-S20 PolarHBondContact O-N 2.72Å; L16-S20 VanDerWaalsContact O-N 3.11Å; I17-S20 WeakPolarHBondContact O-CB 3.29Å; I17-S20 PolarHBondContact O-N 2.9Å; I17-S20 PolarHBondContact O-OG 2.85Å; V18-S20 PolarHBondContact O-N 2.88Å |
| 21 | K | 37 | Very low | 42.8 | Very low | 141 Ų | 141 | 82.7 Ų | 82.7 | 61% | 0.613 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -78 | -24.1 | -173.8 | -71.6 | 174.6 | -178.8 | 173.8 | 0 | 113.1 | V18 I23 N1988 | V18-K21 PolarHBondContact O-N 3.01Å; K21-I23 PolarHBondContact O-N 3.04Å; K21-N1988 VanDerWaalsContact CA-OD1 3.31Å; K21-N1988 WeakPolarHBondContact CA-OD1 3.25Å; K21-N1988 WeakPolarHBondContact CB-OD1 3.39Å; K21-N1988 PolarHBondContact O-OD1 2.94Å |
| 22 | F | 39.7 | Very low | 43.4 | Very low | 86 Ų | 86 | 79 Ų | 79 | 38% | 0.377 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -74.2 | -23.4 | -170 | -133.9 | -60.4 | 0 | 0 | 0 | 111 | V18 K24 P1987 N1988 P1990 | V18-F22 HydrophobicContact CG1-CD2 4.34Å; V18-F22 PolarHBondContact O-N 2.96Å; F22-K24 PolarHBondContact O-N 2.81Å; F22-K24 VanDerWaalsContact O-N 3.1Å; F22-P1987 HydrophobicContact CD1-CB 4.12Å; F22-P1987 HydrophobicContact CD1-CG 3.65Å; F22-P1987 HydrophobicContact CE1-CG 3.87Å; F22-P1987 VanDerWaalsContact O-CB 3.28Å; F22-P1987 WeakPolarHBondContact O-CB 3.18Å; F22-P1987 WeakPolarHBondContact O-CG 3.03Å; F22-N1988 WeakPolarHBondContact CA-OD1 3.3Å; F22-N1988 HydrophobicContact CD2-CB 3.58Å; F22-N1988 WeakPolarHBondContact CD2-ND2 3.49Å; F22-N1988 HydrophobicContact CE2-CB 3.73Å; F22-N1988 HydrophobicContact CG-CB 4.15Å; F22-N1988 HydrophobicContact CZ-CB 4.43Å; F22-N1988 PolarHBondContact N-OD1 2.78Å; F22-P1990 HydrophobicContact CE2-CG 4.46Å; F22-P1990 HydrophobicContact CZ-CG 4.04Å |
| 23 | I | 36.8 | Very low | 44.6 | Very low | 24 Ų | 24 | 78 Ų | 78 | 12% | 0.123 | 38% | 0.384 | C | S | . | . | trans | -92.4 | 71.6 | -171.5 | -39 | -170.5 | 0 | 0 | 0 | 110.4 | L19 K21 G25 N27 C28 F31 K132 | L19-I23 WeakPolarHBondContact O-CD1 3.5Å; L19-I23 WeakPolarHBondContact O-CG1 3.5Å; K21-I23 PolarHBondContact O-N 3.04Å; I23-G25 PolarHBondContact O-N 2.92Å; I23-N27 HydrophobicContact CG2-CB 3.88Å; I23-N27 WeakPolarHBondContact CG2-O 3.42Å; I23-C28 VanDerWaalsContact CG2-CA 3.46Å; I23-C28 HydrophobicContact CG2-CB 4.04Å; I23-C28 WeakPolarHBondContact CG2-SG 3.28Å; I23-C28 PolarHBondContact O-SG 3.33Å; I23-F31 HydrophobicContact CD1-CD1 4.47Å; I23-F31 HydrophobicContact CD1-CD2 3.96Å; I23-F31 HydrophobicContact CD1-CE2 4.24Å; I23-F31 HydrophobicContact CD1-CG 4.09Å; I23-K132 HydrophobicContact CD1-CD 4.17Å | ||
| 24 | K | 41.2 | Very low | 45.7 | Very low | 129 Ų | 129 | 82.9 Ų | 82.9 | 56% | 0.561 | 39% | 0.394 | S | S | * | . | trans | -66.9 | 90.5 | 169.4 | -90 | 177.7 | -170.2 | 169.3 | 0 | 110.7 | F22 T26 P1987 | F22-K24 PolarHBondContact O-N 2.81Å; F22-K24 VanDerWaalsContact O-N 3.1Å; K24-T26 PolarHBondContact O-N 3.21Å; K24-P1987 HydrophobicContact CB-CB 4.29Å; K24-P1987 HydrophobicContact CB-CG 4.46Å; K24-P1987 HydrophobicContact CD-CB 3.75Å; K24-P1987 HydrophobicContact CD-CG 4.27Å; K24-P1987 HydrophobicContact CG-CB 3.85Å; K24-P1987 HydrophobicContact CG-CG 4.49Å | ||
| 25 | G | 42.8 | Very low | 46.4 | Very low | 5 Ų | 5 | 86 Ų | 86 | 5% | 0.052 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | -88 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I23 N27 C28 F136 | I23-G25 PolarHBondContact O-N 2.92Å; G25-N27 VanDerWaalsContact C-N 3.29Å; G25-N27 PolarHBondContact O-N 2.82Å; G25-C28 WeakPolarHBondContact O-CA 3.3Å; G25-C28 WeakPolarHBondContact O-CB 3.43Å; G25-C28 PolarHBondContact O-N 3.13Å; G25-F136 WeakPolarHBondContact O-CB 3.31Å; G25-F136 WeakPolarHBondContact O-CD2 3.41Å |
| 26 | T | 45.4 | Very low | 47.4 | Very low | 100 Ų | 100 | 82.9 Ų | 82.9 | 61% | 0.613 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -58.5 | -37.9 | -170.4 | 47.7 | 0 | 0 | 0 | 0 | 113.1 | K24 C28 F29 K30 | K24-T26 PolarHBondContact O-N 3.21Å; T26-C28 VanDerWaalsContact C-N 3.29Å; T26-C28 PolarHBondContact O-N 3.35Å; T26-F29 PolarHBondContact O-N 2.96Å; T26-K30 PolarHBondContact O-N 2.61Å |
| 27 | N | 46.7 | Very low | 48.7 | Very low | 94 Ų | 94 | 82.9 Ų | 82.9 | 50% | 0.503 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -74.7 | -11.6 | 173.8 | -90.3 | -2.5 | 0 | 0 | 0 | 114.1 | I23 G25 F29 F31 | I23-N27 HydrophobicContact CG2-CB 3.88Å; I23-N27 WeakPolarHBondContact CG2-O 3.42Å; G25-N27 VanDerWaalsContact C-N 3.29Å; G25-N27 PolarHBondContact O-N 2.82Å; N27-F29 VanDerWaalsContact C-N 3.27Å; N27-F31 WeakPolarHBondContact O-CB 3.45Å; N27-F31 PolarHBondContact O-N 2.93Å |
| 28 | C | 50.5 | Low | 49.7 | Very low | 2 Ų | 2 | 82.4 Ų | 82.4 | 1% | 0.014 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 168.7 | -60.6 | 0 | 0 | 0 | 0 | 108.8 | I23 G25 T26 F31 L32 K132 F136 | I23-C28 VanDerWaalsContact CG2-CA 3.46Å; I23-C28 HydrophobicContact CG2-CB 4.04Å; I23-C28 WeakPolarHBondContact CG2-SG 3.28Å; I23-C28 PolarHBondContact O-SG 3.33Å; G25-C28 WeakPolarHBondContact O-CA 3.3Å; G25-C28 WeakPolarHBondContact O-CB 3.43Å; G25-C28 PolarHBondContact O-N 3.13Å; T26-C28 VanDerWaalsContact C-N 3.29Å; T26-C28 PolarHBondContact O-N 3.35Å; C28-F31 PolarHBondContact O-N 3.38Å; C28-L32 WeakPolarHBondContact O-CB 3.21Å; C28-L32 WeakPolarHBondContact O-CD1 3.48Å; C28-L32 WeakPolarHBondContact O-CG 3.32Å; C28-L32 PolarHBondContact O-N 2.92Å; C28-K132 HydrophobicContact CB-CB 4.16Å; C28-K132 WeakPolarHBondContact CB-O 3.45Å; C28-K132 PolarHBondContact SG-O 3.45Å; C28-K132 VanDerWaalsContact SG-O 3.34Å; C28-F136 HydrophobicContact CB-CB 4.02Å |
| 29 | F | 57 | Low | 50.9 | Low | 15 Ų | 15 | 82.5 Ų | 82.5 | 7% | 0.066 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -70.1 | -42.7 | 180 | -154.5 | -93.4 | 0 | 0 | 0 | 112.3 | T26 N27 F31 L32 K33 L44 D45 F133 F136 | T26-F29 PolarHBondContact O-N 2.96Å; N27-F29 VanDerWaalsContact C-N 3.27Å; F29-F31 VanDerWaalsContact C-N 3.33Å; F29-F31 PolarHBondContact O-N 3.16Å; F29-L32 PolarHBondContact O-N 3.15Å; F29-K33 HydrophobicContact CD1-CD 4.18Å; F29-K33 HydrophobicContact CE1-CD 3.74Å; F29-K33 HydrophobicContact CE1-CG 4.05Å; F29-K33 WeakPolarHBondContact O-CB 3.33Å; F29-K33 PolarHBondContact O-N 2.99Å; F29-L44 HydrophobicContact CE2-CB 3.75Å; F29-L44 HydrophobicContact CZ-CB 4.18Å; F29-D45 HydrophobicContact CE1-CB 4.06Å; F29-D45 VanDerWaalsContact CE1-CG 3.44Å; F29-D45 WeakPolarHBondContact CE1-OD2 3.16Å; F29-D45 HydrophobicContact CE2-CB 4.48Å; F29-D45 VanDerWaalsContact CZ-CA 3.49Å; F29-D45 HydrophobicContact CZ-CB 3.58Å; F29-D45 VanDerWaalsContact CZ-CG 3.47Å; F29-D45 VanDerWaalsContact CZ-N 3.34Å; F29-F133 HydrophobicContact CD2-CD2 4.11Å; F29-F133 AromaticContact CD2-CE2 3.9Å; F29-F133 HydrophobicContact CD2-CE2 3.9Å; F29-F133 HydrophobicContact CE2-CD2 4.28Å; F29-F133 AromaticContact CE2-CE2 3.78Å; F29-F133 HydrophobicContact CE2-CE2 3.78Å; F29-F136 HydrophobicContact CB-CD1 3.98Å; F29-F136 HydrophobicContact CB-CD2 4.27Å; F29-F136 HydrophobicContact CB-CE1 3.7Å; F29-F136 HydrophobicContact CB-CE2 4Å; F29-F136 HydrophobicContact CB-CG 4.25Å; F29-F136 HydrophobicContact CB-CZ 3.7Å; F29-F136 AromaticContact CD2-CD1 3.72Å; F29-F136 HydrophobicContact CD2-CD1 3.72Å; F29-F136 AromaticContact CD2-CE1 3.33Å; F29-F136 HydrophobicContact CD2-CE1 3.33Å; F29-F136 HydrophobicContact CD2-CZ 4.08Å; F29-F136 HydrophobicContact CE2-CE1 4.21Å; F29-F136 HydrophobicContact CG-CD1 4.2Å; F29-F136 AromaticContact CG-CE1 3.63Å; F29-F136 HydrophobicContact CG-CE1 3.63Å; F29-F136 AromaticContact CG-CZ 3.89Å; F29-F136 HydrophobicContact CG-CZ 3.89Å |
| 30 | K | 59 | Low | 52.4 | Low | 148 Ų | 148 | 81 Ų | 81 | 64% | 0.643 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62.1 | -36.3 | 170.6 | -76.5 | -169.9 | 172.9 | -175.1 | 0 | 113.1 | T26 K33 R34 | T26-K30 PolarHBondContact O-N 2.61Å; K30-K33 PolarHBondContact O-N 3.18Å; K30-R34 PolarHBondContact O-N 2.97Å |
| 31 | F | 56.5 | Low | 53.8 | Low | 50 Ų | 50 | 78.8 Ų | 78.8 | 22% | 0.219 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66 | -43.5 | 175.9 | 176.9 | -91.7 | 0 | 0 | 0 | 111.8 | I23 N27 C28 F29 R34 R35 K132 | I23-F31 HydrophobicContact CD1-CD1 4.47Å; I23-F31 HydrophobicContact CD1-CD2 3.96Å; I23-F31 HydrophobicContact CD1-CE2 4.24Å; I23-F31 HydrophobicContact CD1-CG 4.09Å; N27-F31 WeakPolarHBondContact O-CB 3.45Å; N27-F31 PolarHBondContact O-N 2.93Å; C28-F31 PolarHBondContact O-N 3.38Å; F29-F31 VanDerWaalsContact C-N 3.33Å; F29-F31 PolarHBondContact O-N 3.16Å; F31-R34 PolarHBondContact O-N 2.84Å; F31-R35 PolarHBondContact O-N 3.33Å; F31-K132 HydrophobicContact CE1-CD 4.29Å |
| 32 | L | 55.8 | Low | 55.4 | Low | 2 Ų | 2 | 79.1 Ų | 79.1 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 173.3 | -68.1 | 160.4 | 0 | 0 | 0 | 111.1 | C28 F29 R34 R35 L36 C129 F133 | C28-L32 WeakPolarHBondContact O-CB 3.21Å; C28-L32 WeakPolarHBondContact O-CD1 3.48Å; C28-L32 WeakPolarHBondContact O-CG 3.32Å; C28-L32 PolarHBondContact O-N 2.92Å; F29-L32 PolarHBondContact O-N 3.15Å; L32-R34 PolarHBondContact O-N 3.35Å; L32-R34 VanDerWaalsContact O-N 3.13Å; L32-R35 PolarHBondContact O-N 2.91Å; L32-R35 VanDerWaalsContact O-N 3.15Å; L32-L36 HydrophobicContact CB-CD1 4.07Å; L32-L36 HydrophobicContact CD2-CD1 3.81Å; L32-L36 PolarHBondContact O-N 3.19Å; L32-L36 VanDerWaalsContact O-N 3.11Å; L32-C129 HydrophobicContact CD2-CB 3.72Å; L32-F133 HydrophobicContact CD1-CB 3.74Å; L32-F133 HydrophobicContact CD1-CD2 3.91Å; L32-F133 HydrophobicContact CD1-CG 4.25Å |
| 33 | K | 58.8 | Low | 56.9 | Low | 105 Ų | 105 | 82.1 Ų | 82.1 | 46% | 0.457 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.7 | -16.3 | 175.6 | -105.8 | -179 | 170 | 161.3 | 0 | 115.1 | F29 K30 T41 D45 | F29-K33 HydrophobicContact CD1-CD 4.18Å; F29-K33 HydrophobicContact CE1-CD 3.74Å; F29-K33 HydrophobicContact CE1-CG 4.05Å; F29-K33 WeakPolarHBondContact O-CB 3.33Å; F29-K33 PolarHBondContact O-N 2.99Å; K30-K33 PolarHBondContact O-N 3.18Å; K33-T41 HydrophobicContact CB-CG2 4.43Å; K33-T41 HydrophobicContact CG-CG2 3.89Å; K33-D45 IonicContact NZ-OD2 3.88Å; K33-D45 PolarHBondContact NZ-OD2 3.22Å |
| 34 | R | 61.2 | Low | 58.8 | Low | 224 Ų | 224 | 81 Ų | 81 | 85% | 0.845 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -8.1 | 176.7 | -78.7 | -176.6 | 168.2 | -174.4 | -5 | 114.7 | K30 F31 L32 | K30-R34 PolarHBondContact O-N 2.97Å; F31-R34 PolarHBondContact O-N 2.84Å; L32-R34 PolarHBondContact O-N 3.35Å; L32-R34 VanDerWaalsContact O-N 3.13Å |
| 35 | R | 58.9 | Low | 60.4 | Low | 201 Ų | 201 | 77 Ų | 77 | 76% | 0.758 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.5 | -0.7 | -174.7 | -95.5 | -169.4 | 173 | -159.9 | -1.7 | 115.1 | F31 L32 | F31-R35 PolarHBondContact O-N 3.33Å; L32-R35 PolarHBondContact O-N 2.91Å; L32-R35 VanDerWaalsContact O-N 3.15Å |
| 36 | L | 57.7 | Low | 62.1 | Low | 38 Ų | 38 | 81.8 Ų | 81.8 | 20% | 0.199 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -121.3 | 147.5 | 176.6 | -64.1 | 168.8 | 0 | 0 | 0 | 109.4 | L32 C40 T41 L44 L125 | L32-L36 HydrophobicContact CB-CD1 4.07Å; L32-L36 HydrophobicContact CD2-CD1 3.81Å; L32-L36 PolarHBondContact O-N 3.19Å; L32-L36 VanDerWaalsContact O-N 3.11Å; L36-C40 HydrophobicContact CB-CB 4.06Å; L36-T41 HydrophobicContact CB-CG2 3.91Å; L36-T41 WeakPolarHBondContact O-CG2 3.48Å; L36-L44 HydrophobicContact CD1-CD1 3.55Å; L36-L125 HydrophobicContact CD1-CD2 3.5Å; L36-L125 HydrophobicContact CD2-CD2 3.86Å; L36-L125 HydrophobicContact CG-CD2 4.33Å |
| 37 | P | 63.5 | Low | 63.8 | Low | 83 Ų | 83 | 77 Ų | 77 | 54% | 0.539 | 36% | 0.363 | S | S | . | . | trans | -53.4 | 146.4 | 172.2 | -26.7 | 35.4 | 0 | 0 | 0 | 112.1 | S39 C40 T41 | P37-S39 PolarHBondContact O-N 3.42Å; P37-C40 WeakPolarHBondContact O-CB 3.22Å; P37-C40 PolarHBondContact O-N 3.03Å; P37-T41 WeakPolarHBondContact O-CG2 3.19Å; P37-T41 PolarHBondContact O-N 3.45Å; P37-T41 VanDerWaalsContact O-N 3.09Å | ||
| 38 | S | 62.6 | Low | 65.4 | Low | 95 Ų | 95 | 72.7 Ų | 72.7 | 66% | 0.664 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -51 | -38.1 | -174.7 | 59.4 | 0 | 0 | 0 | 0 | 113.1 | T41 K42 | S38-T41 PolarHBondContact O-N 3.22Å; S38-T41 VanDerWaalsContact O-N 3.17Å; S38-T41 PolarHBondContact O-OG1 3.15Å; S38-K42 PolarHBondContact O-N 3.31Å |
| 39 | S | 66.3 | Low | 66.9 | Low | 68 Ų | 68 | 76.6 Ų | 76.6 | 48% | 0.476 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -56.3 | -50.2 | 173 | 54.6 | 0 | 0 | 0 | 0 | 113.7 | P37 T41 K42 R43 | P37-S39 PolarHBondContact O-N 3.42Å; S39-T41 VanDerWaalsContact C-N 3.28Å; S39-T41 PolarHBondContact O-N 3.28Å; S39-K42 PolarHBondContact O-N 2.93Å; S39-R43 PolarHBondContact O-N 3.12Å |
| 40 | C | 66.1 | Low | 68.1 | Low | 33 Ų | 33 | 76.9 Ų | 76.9 | 22% | 0.223 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63 | -36.6 | 174.6 | -69.7 | 0 | 0 | 0 | 0 | 111.2 | L36 P37 R43 L44 | L36-C40 HydrophobicContact CB-CB 4.06Å; P37-C40 WeakPolarHBondContact O-CB 3.22Å; P37-C40 PolarHBondContact O-N 3.03Å; C40-R43 PolarHBondContact O-N 3.07Å; C40-L44 WeakPolarHBondContact O-CG 3.25Å; C40-L44 PolarHBondContact O-N 3.32Å |
| 41 | T | 66.3 | Low | 69.3 | Low | 12 Ų | 12 | 71.2 Ų | 71.2 | 7% | 0.074 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.6 | -37.4 | -179.7 | 76.7 | 0 | 0 | 0 | 0 | 113.2 | K33 L36 P37 S38 S39 L44 D45 | K33-T41 HydrophobicContact CB-CG2 4.43Å; K33-T41 HydrophobicContact CG-CG2 3.89Å; L36-T41 HydrophobicContact CB-CG2 3.91Å; L36-T41 WeakPolarHBondContact O-CG2 3.48Å; P37-T41 WeakPolarHBondContact O-CG2 3.19Å; P37-T41 PolarHBondContact O-N 3.45Å; P37-T41 VanDerWaalsContact O-N 3.09Å; S38-T41 PolarHBondContact O-N 3.22Å; S38-T41 VanDerWaalsContact O-N 3.17Å; S38-T41 PolarHBondContact O-OG1 3.15Å; S39-T41 VanDerWaalsContact C-N 3.28Å; S39-T41 PolarHBondContact O-N 3.28Å; T41-L44 PolarHBondContact O-N 3.26Å; T41-D45 PolarHBondContact O-N 2.88Å |
| 42 | K | 70.4 | Confident | 70.6 | Confident | 147 Ų | 147 | 69.4 Ų | 69.4 | 64% | 0.639 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -58.9 | -51.1 | 171.8 | -80.7 | -173.1 | 174.6 | -177.9 | 0 | 110.5 | S38 S39 L44 D45 E46 | S38-K42 PolarHBondContact O-N 3.31Å; S39-K42 PolarHBondContact O-N 2.93Å; K42-L44 VanDerWaalsContact C-N 3.31Å; K42-L44 PolarHBondContact O-N 2.98Å; K42-D45 WeakPolarHBondContact O-CA 3.33Å; K42-D45 WeakPolarHBondContact O-CB 3.41Å; K42-D45 PolarHBondContact O-N 3.33Å; K42-E46 WeakPolarHBondContact O-CG 3.41Å; K42-E46 PolarHBondContact O-N 2.85Å |
| 43 | R | 72.2 | Confident | 72.1 | Confident | 149 Ų | 149 | 75 Ų | 75 | 56% | 0.562 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.2 | -35.1 | 179.8 | -79.6 | 170.4 | 161.7 | 174.6 | -4.5 | 114 | S39 C40 E46 L47 V121 | S39-R43 PolarHBondContact O-N 3.12Å; C40-R43 PolarHBondContact O-N 3.07Å; R43-E46 WeakPolarHBondContact CA-OE2 3.48Å; R43-L47 WeakPolarHBondContact O-CB 3.49Å; R43-L47 PolarHBondContact O-N 3Å; R43-V121 HydrophobicContact CB-CG1 4.11Å; R43-V121 HydrophobicContact CB-CG2 4Å; R43-V121 HydrophobicContact CG-CG2 4.36Å |
| 44 | L | 75.5 | Confident | 73.4 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -73.5 | -30.7 | 172.8 | -66.6 | 172.7 | 0 | 0 | 0 | 112.9 | F29 L36 C40 T41 K42 A48 V121 L122 L125 F133 | F29-L44 HydrophobicContact CE2-CB 3.75Å; F29-L44 HydrophobicContact CZ-CB 4.18Å; L36-L44 HydrophobicContact CD1-CD1 3.55Å; C40-L44 WeakPolarHBondContact O-CG 3.25Å; C40-L44 PolarHBondContact O-N 3.32Å; T41-L44 PolarHBondContact O-N 3.26Å; K42-L44 VanDerWaalsContact C-N 3.31Å; K42-L44 PolarHBondContact O-N 2.98Å; L44-A48 WeakPolarHBondContact O-CB 3.2Å; L44-A48 PolarHBondContact O-N 3.4Å; L44-V121 HydrophobicContact CD2-CG1 4.15Å; L44-V121 HydrophobicContact CG-CG1 4.31Å; L44-L122 HydrophobicContact CD2-CD2 4.02Å; L44-L125 HydrophobicContact CD1-CD1 4.08Å; L44-L125 HydrophobicContact CD1-CD2 4.19Å; L44-L125 HydrophobicContact CD2-CD1 3.95Å; L44-F133 HydrophobicContact CB-CD2 4.42Å; L44-F133 HydrophobicContact CB-CE2 3.93Å; L44-F133 HydrophobicContact CB-CZ 4.18Å; L44-F133 HydrophobicContact CD2-CD1 4.09Å; L44-F133 HydrophobicContact CD2-CD2 4.42Å; L44-F133 HydrophobicContact CD2-CE1 3.96Å; L44-F133 HydrophobicContact CD2-CE2 4.31Å; L44-F133 HydrophobicContact CD2-CG 4.31Å; L44-F133 HydrophobicContact CD2-CZ 4.07Å; L44-F133 WeakPolarHBondContact O-CE2 3.16Å; L44-F133 WeakPolarHBondContact O-CZ 3.41Å |
| 45 | D | 75.6 | Confident | 74.5 | Confident | 46 Ų | 46 | 60.3 Ų | 60.3 | 25% | 0.246 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.9 | -43.2 | 173.1 | -129.6 | -36.9 | 0 | 0 | 0 | 109.4 | F29 K33 T41 K42 A48 N49 | F29-D45 HydrophobicContact CE1-CB 4.06Å; F29-D45 VanDerWaalsContact CE1-CG 3.44Å; F29-D45 WeakPolarHBondContact CE1-OD2 3.16Å; F29-D45 HydrophobicContact CE2-CB 4.48Å; F29-D45 VanDerWaalsContact CZ-CA 3.49Å; F29-D45 HydrophobicContact CZ-CB 3.58Å; F29-D45 VanDerWaalsContact CZ-CG 3.47Å; F29-D45 VanDerWaalsContact CZ-N 3.34Å; K33-D45 IonicContact NZ-OD2 3.88Å; K33-D45 PolarHBondContact NZ-OD2 3.22Å; T41-D45 PolarHBondContact O-N 2.88Å; K42-D45 WeakPolarHBondContact O-CA 3.33Å; K42-D45 WeakPolarHBondContact O-CB 3.41Å; K42-D45 PolarHBondContact O-N 3.33Å; D45-A48 PolarHBondContact O-N 3.47Å; D45-N49 VanDerWaalsContact O-CB 3.32Å; D45-N49 WeakPolarHBondContact O-CB 3.22Å; D45-N49 PolarHBondContact O-N 3Å; D45-N49 PolarHBondContact O-ND2 3.13Å; D45-N49 PolarHBondContact OD1-ND2 3.48Å |
| 46 | E | 78.6 | Confident | 75.7 | Confident | 104 Ų | 104 | 51.7 Ų | 51.7 | 49% | 0.486 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.3 | -49.9 | 172.6 | -71.6 | 160.3 | -177.6 | 0 | 0 | 111.5 | K42 R43 A48 N49 L50 | K42-E46 WeakPolarHBondContact O-CG 3.41Å; K42-E46 PolarHBondContact O-N 2.85Å; R43-E46 WeakPolarHBondContact CA-OE2 3.48Å; E46-A48 PolarHBondContact O-N 3.17Å; E46-N49 CarbonylContact O-C 3.33Å; E46-N49 PolarHBondContact O-N 2.81Å; E46-L50 WeakPolarHBondContact O-CB 3.35Å; E46-L50 VanDerWaalsContact O-CG 3.27Å; E46-L50 WeakPolarHBondContact O-CG 3.46Å; E46-L50 PolarHBondContact O-N 3.02Å |
| 47 | L | 80.8 | Confident | 77.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 178.5 | -155.6 | 178.3 | 0 | 0 | 0 | 111.9 | R43 L50 K51 A118 L122 F133 | R43-L47 WeakPolarHBondContact O-CB 3.49Å; R43-L47 PolarHBondContact O-N 3Å; L47-L50 PolarHBondContact O-N 2.85Å; L47-K51 HydrophobicContact CD2-CD 4Å; L47-K51 HydrophobicContact CD2-CG 4.17Å; L47-K51 PolarHBondContact O-N 2.99Å; L47-A118 HydrophobicContact CB-CB 4.36Å; L47-A118 HydrophobicContact CG-CB 4.19Å; L47-L122 HydrophobicContact CD1-CD1 4.18Å; L47-L122 HydrophobicContact CD1-CD2 3.91Å; L47-L122 HydrophobicContact CD1-CG 3.87Å; L47-F133 HydrophobicContact CB-CE1 4.36Å; L47-F133 HydrophobicContact CB-CZ 4.14Å; L47-F133 HydrophobicContact CD1-CE1 4.02Å; L47-F133 HydrophobicContact CD2-CE1 4.06Å; L47-F133 HydrophobicContact CD2-CZ 4.43Å; L47-F133 HydrophobicContact CG-CE1 4.37Å |
| 48 | A | 80.2 | Confident | 78.2 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 3% | 0.033 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L44 D45 E46 K51 C52 F133 F136 | L44-A48 WeakPolarHBondContact O-CB 3.2Å; L44-A48 PolarHBondContact O-N 3.4Å; D45-A48 PolarHBondContact O-N 3.47Å; E46-A48 PolarHBondContact O-N 3.17Å; A48-K51 PolarHBondContact O-N 3.09Å; A48-C52 PolarHBondContact O-N 2.7Å; A48-C52 PolarHBondContact O-SG 2.6Å; A48-F133 HydrophobicContact CB-CE2 4.03Å; A48-F133 HydrophobicContact CB-CZ 4Å; A48-F136 HydrophobicContact CB-CD1 4.31Å; A48-F136 HydrophobicContact CB-CE1 3.67Å |
| 49 | N | 81.4 | Confident | 79.4 | Confident | 84 Ų | 84 | 48 Ų | 48 | 45% | 0.449 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.4 | -38.6 | 176.1 | -79.2 | -65.5 | 0 | 0 | 0 | 111.9 | D45 E46 C52 K53 | D45-N49 VanDerWaalsContact O-CB 3.32Å; D45-N49 WeakPolarHBondContact O-CB 3.22Å; D45-N49 PolarHBondContact O-N 3Å; D45-N49 PolarHBondContact O-ND2 3.13Å; D45-N49 PolarHBondContact OD1-ND2 3.48Å; E46-N49 CarbonylContact O-C 3.33Å; E46-N49 PolarHBondContact O-N 2.81Å; N49-C52 CarbonylContact O-C 3.59Å; N49-C52 PolarHBondContact O-N 2.93Å; N49-K53 WeakPolarHBondContact O-CG 3.39Å; N49-K53 PolarHBondContact O-N 2.88Å |
| 50 | L | 83.6 | Confident | 80.5 | Confident | 21 Ų | 21 | 47.4 Ų | 47.4 | 11% | 0.11 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.2 | -48.9 | 171.6 | -76.8 | 165.5 | 0 | 0 | 0 | 110.5 | E46 L47 C52 K53 I54 L111 L114 H115 A118 | E46-L50 WeakPolarHBondContact O-CB 3.35Å; E46-L50 VanDerWaalsContact O-CG 3.27Å; E46-L50 WeakPolarHBondContact O-CG 3.46Å; E46-L50 PolarHBondContact O-N 3.02Å; L47-L50 PolarHBondContact O-N 2.85Å; L50-C52 VanDerWaalsContact C-N 3.27Å; L50-C52 PolarHBondContact O-N 2.95Å; L50-K53 PolarHBondContact O-N 2.83Å; L50-K53 VanDerWaalsContact O-N 3.16Å; L50-I54 WeakPolarHBondContact O-CB 3.31Å; L50-I54 VanDerWaalsContact O-CG1 3.27Å; L50-I54 WeakPolarHBondContact O-CG1 3.41Å; L50-I54 PolarHBondContact O-N 2.88Å; L50-L111 HydrophobicContact CD2-CD2 3.7Å; L50-L114 HydrophobicContact CD1-CB 4.2Å; L50-L114 HydrophobicContact CD2-CB 3.81Å; L50-L114 HydrophobicContact CD2-CD1 4.35Å; L50-H115 HydrophobicContact CB-CB 4.41Å; L50-A118 HydrophobicContact CD1-CB 4.05Å |
| 51 | K | 84.2 | Confident | 81.5 | Confident | 29 Ų | 29 | 46.5 Ų | 46.5 | 13% | 0.126 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.6 | -38.8 | 172.8 | -78.6 | -177.4 | 177.8 | 176.9 | 0 | 112.9 | L47 A48 A55 H115 M134 C137 V141 | L47-K51 HydrophobicContact CD2-CD 4Å; L47-K51 HydrophobicContact CD2-CG 4.17Å; L47-K51 PolarHBondContact O-N 2.99Å; A48-K51 PolarHBondContact O-N 3.09Å; K51-A55 VanDerWaalsContact O-CB 3.23Å; K51-A55 WeakPolarHBondContact O-CB 3.38Å; K51-A55 PolarHBondContact O-N 2.89Å; K51-H115 WeakPolarHBondContact CE-NE2 3.4Å; K51-H115 VanDerWaalsContact CG-CD2 3.46Å; K51-H115 WeakPolarHBondContact CG-CD2 3.35Å; K51-H115 WeakPolarHBondContact CG-NE2 3.37Å; K51-M134 PolarHBondContact NZ-SD 2.62Å; K51-C137 HydrophobicContact CD-CB 3.58Å; K51-V141 HydrophobicContact CB-CG2 3.96Å |
| 52 | C | 83.3 | Confident | 82.5 | Confident | 12 Ų | 12 | 51 Ų | 51 | 8% | 0.081 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.7 | -35.9 | 177.3 | -64.4 | 0 | 0 | 0 | 0 | 113 | A48 N49 L50 A55 S56 V140 T144 | A48-C52 PolarHBondContact O-N 2.7Å; A48-C52 PolarHBondContact O-SG 2.6Å; N49-C52 CarbonylContact O-C 3.59Å; N49-C52 PolarHBondContact O-N 2.93Å; L50-C52 VanDerWaalsContact C-N 3.27Å; L50-C52 PolarHBondContact O-N 2.95Å; C52-A55 PolarHBondContact O-N 3.22Å; C52-S56 WeakPolarHBondContact O-CB 3.5Å; C52-S56 PolarHBondContact O-N 2.87Å; C52-V140 WeakPolarHBondContact SG-CG1 3.35Å; C52-T144 WeakPolarHBondContact O-CG2 3.44Å |
| 53 | K | 86 | Confident | 83.4 | Confident | 118 Ų | 118 | 44.8 Ų | 44.8 | 51% | 0.513 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64 | -50.3 | 171.2 | -70.5 | 175.5 | -178.8 | 179.2 | 0 | 110.5 | N49 L50 A55 S56 E57 L111 | N49-K53 WeakPolarHBondContact O-CG 3.39Å; N49-K53 PolarHBondContact O-N 2.88Å; L50-K53 PolarHBondContact O-N 2.83Å; L50-K53 VanDerWaalsContact O-N 3.16Å; K53-A55 VanDerWaalsContact C-N 3.27Å; K53-A55 PolarHBondContact O-N 3.4Å; K53-S56 WeakPolarHBondContact O-CB 3.26Å; K53-S56 PolarHBondContact O-N 3.35Å; K53-S56 VanDerWaalsContact O-N 3.13Å; K53-E57 WeakPolarHBondContact O-CG 3.48Å; K53-E57 PolarHBondContact O-N 3.12Å; K53-L111 HydrophobicContact CB-CD1 3.69Å; K53-L111 HydrophobicContact CB-CD2 3.79Å; K53-L111 HydrophobicContact CB-CG 4.38Å; K53-L111 HydrophobicContact CD-CD2 3.73Å; K53-L111 HydrophobicContact CG-CD2 4.41Å |
| 54 | I | 86 | Confident | 84.1 | Confident | 17 Ų | 17 | 38.3 Ų | 38.3 | 9% | 0.087 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -50.6 | -46.6 | 172.2 | -72.5 | 169.1 | 0 | 0 | 0 | 111 | L50 E57 K58 L108 L111 I112 H115 | L50-I54 WeakPolarHBondContact O-CB 3.31Å; L50-I54 VanDerWaalsContact O-CG1 3.27Å; L50-I54 WeakPolarHBondContact O-CG1 3.41Å; L50-I54 PolarHBondContact O-N 2.88Å; I54-E57 PolarHBondContact O-N 3.35Å; I54-K58 HydrophobicContact CG2-CD 4.22Å; I54-K58 WeakPolarHBondContact O-CB 3.43Å; I54-K58 WeakPolarHBondContact O-CG 3.34Å; I54-K58 PolarHBondContact O-N 3.32Å; I54-L108 HydrophobicContact CB-CD1 4.18Å; I54-L108 HydrophobicContact CG1-CD1 4.3Å; I54-L108 HydrophobicContact CG2-CD1 3.77Å; I54-L111 HydrophobicContact CD1-CB 4.49Å; I54-L111 HydrophobicContact CG1-CB 3.69Å; I54-I112 HydrophobicContact CD1-CG1 4.05Å; I54-I112 HydrophobicContact CG1-CG1 4.27Å; I54-H115 HydrophobicContact CD1-CB 3.78Å |
| 55 | A | 84.8 | Confident | 84.7 | Confident | 5 Ų | 5 | 43.2 Ų | 43.2 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.3 | -46.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | K51 C52 K53 K58 V59 V141 N145 | K51-A55 VanDerWaalsContact O-CB 3.23Å; K51-A55 WeakPolarHBondContact O-CB 3.38Å; K51-A55 PolarHBondContact O-N 2.89Å; C52-A55 PolarHBondContact O-N 3.22Å; K53-A55 VanDerWaalsContact C-N 3.27Å; K53-A55 PolarHBondContact O-N 3.4Å; A55-K58 PolarHBondContact O-N 2.73Å; A55-V59 PolarHBondContact O-N 3.46Å; A55-V141 HydrophobicContact CB-CB 4.16Å; A55-V141 HydrophobicContact CB-CG1 3.74Å; A55-V141 HydrophobicContact CB-CG2 4.01Å; A55-N145 VanDerWaalsContact CB-OD1 3.26Å; A55-N145 WeakPolarHBondContact CB-OD1 3.38Å; A55-N145 PolarHBondContact O-OD1 3.21Å |
| 56 | S | 85 | Confident | 85 | Confident | 20 Ų | 20 | 44.1 Ų | 44.1 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.4 | -43.6 | 175.9 | -162.3 | 0 | 0 | 0 | 0 | 112.4 | C52 K53 V59 K60 T148 | C52-S56 WeakPolarHBondContact O-CB 3.5Å; C52-S56 PolarHBondContact O-N 2.87Å; K53-S56 WeakPolarHBondContact O-CB 3.26Å; K53-S56 PolarHBondContact O-N 3.35Å; K53-S56 VanDerWaalsContact O-N 3.13Å; S56-V59 PolarHBondContact O-N 2.91Å; S56-K60 WeakPolarHBondContact O-CG 3.38Å; S56-K60 PolarHBondContact O-N 2.98Å; S56-T148 PolarHBondContact OG-OG1 3.37Å |
| 57 | E | 86.7 | Confident | 85 | Confident | 12 Ų | 12 | 39.2 Ų | 39.2 | 6% | 0.056 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.5 | -37.9 | 175.7 | -62.3 | -37 | 117.3 | 0 | 0 | 112.1 | K53 I54 V59 K60 L61 C104 M107 L108 L111 | K53-E57 WeakPolarHBondContact O-CG 3.48Å; K53-E57 PolarHBondContact O-N 3.12Å; I54-E57 PolarHBondContact O-N 3.35Å; E57-V59 VanDerWaalsContact C-N 3.3Å; E57-V59 PolarHBondContact O-N 3.18Å; E57-K60 VanDerWaalsContact CD-CD 3.49Å; E57-K60 PolarHBondContact O-N 3.12Å; E57-K60 WeakPolarHBondContact OE1-CD 3.13Å; E57-K60 WeakPolarHBondContact OE1-CE 3.2Å; E57-K60 IonicContact OE1-NZ 3.24Å; E57-K60 PolarHBondContact OE1-NZ 2.89Å; E57-K60 WeakPolarHBondContact OE2-CD 3.09Å; E57-K60 IonicContact OE2-NZ 3.41Å; E57-K60 PolarHBondContact OE2-NZ 3.19Å; E57-L61 VanDerWaalsContact O-CB 3.23Å; E57-L61 WeakPolarHBondContact O-CB 3.36Å; E57-L61 PolarHBondContact O-N 2.63Å; E57-C104 PolarHBondContact OE2-SG 3.33Å; E57-M107 HydrophobicContact CG-CE 3.81Å; E57-M107 WeakPolarHBondContact OE2-CE 3.43Å; E57-L108 HydrophobicContact CB-CB 4.21Å; E57-L111 HydrophobicContact CG-CD1 3.84Å |
| 58 | K | 87.3 | Confident | 85 | Confident | 108 Ų | 108 | 40.9 Ų | 40.9 | 47% | 0.47 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.1 | -41.6 | 169.8 | -78.9 | -176.3 | 179.1 | -169 | 0 | 111.5 | I54 A55 L61 E62 L108 | I54-K58 HydrophobicContact CG2-CD 4.22Å; I54-K58 WeakPolarHBondContact O-CB 3.43Å; I54-K58 WeakPolarHBondContact O-CG 3.34Å; I54-K58 PolarHBondContact O-N 3.32Å; A55-K58 PolarHBondContact O-N 2.73Å; K58-L61 PolarHBondContact O-N 3.17Å; K58-E62 VanDerWaalsContact O-CB 3.25Å; K58-E62 WeakPolarHBondContact O-CB 3.45Å; K58-E62 PolarHBondContact O-N 3.06Å; K58-L108 HydrophobicContact CD-CD1 4.46Å; K58-L108 HydrophobicContact CG-CD1 3.8Å; K58-L108 HydrophobicContact CG-CD2 3.69Å; K58-L108 HydrophobicContact CG-CG 4.43Å |
| 59 | V | 87.1 | Confident | 85.1 | Confident | 17 Ų | 17 | 45 Ų | 45 | 10% | 0.103 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72 | -31.4 | 176.3 | 168 | 0 | 0 | 0 | 0 | 113.3 | A55 S56 E57 F63 N145 T148 K149 | A55-V59 PolarHBondContact O-N 3.46Å; S56-V59 PolarHBondContact O-N 2.91Å; E57-V59 VanDerWaalsContact C-N 3.3Å; E57-V59 PolarHBondContact O-N 3.18Å; V59-F63 WeakPolarHBondContact O-CB 3.45Å; V59-F63 PolarHBondContact O-N 2.83Å; V59-N145 HydrophobicContact CG2-CB 3.74Å; V59-N145 VanDerWaalsContact CG2-CG 3.46Å; V59-N145 VanDerWaalsContact CG2-OD1 3.32Å; V59-N145 WeakPolarHBondContact CG2-OD1 3.46Å; V59-T148 HydrophobicContact CB-CG2 4.34Å; V59-T148 HydrophobicContact CG1-CG2 3.91Å; V59-K149 HydrophobicContact CG1-CB 3.84Å; V59-K149 HydrophobicContact CG1-CG 4.44Å |
| 60 | K | 89.1 | Confident | 84.8 | Confident | 57 Ų | 57 | 44.4 Ų | 44.4 | 25% | 0.248 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.8 | -43.6 | 170.6 | -73.6 | 160.9 | 164.9 | -175.3 | 0 | 111.8 | S56 E57 E62 F63 Y64 T148 L152 | S56-K60 WeakPolarHBondContact O-CG 3.38Å; S56-K60 PolarHBondContact O-N 2.98Å; E57-K60 VanDerWaalsContact CD-CD 3.49Å; E57-K60 PolarHBondContact O-N 3.12Å; E57-K60 WeakPolarHBondContact OE1-CD 3.13Å; E57-K60 WeakPolarHBondContact OE1-CE 3.2Å; E57-K60 IonicContact OE1-NZ 3.24Å; E57-K60 PolarHBondContact OE1-NZ 2.89Å; E57-K60 WeakPolarHBondContact OE2-CD 3.09Å; E57-K60 IonicContact OE2-NZ 3.41Å; E57-K60 PolarHBondContact OE2-NZ 3.19Å; K60-E62 VanDerWaalsContact C-N 3.35Å; K60-F63 CarbonylContact O-C 3.36Å; K60-F63 PolarHBondContact O-N 3.21Å; K60-Y64 HydrophobicContact CB-CD2 4.44Å; K60-Y64 HydrophobicContact CB-CE2 4.25Å; K60-Y64 WeakPolarHBondContact O-CD2 3.42Å; K60-Y64 PolarHBondContact O-N 3.43Å; K60-T148 HydrophobicContact CG-CG2 4.03Å; K60-L152 HydrophobicContact CB-CD1 4.46Å; K60-L152 HydrophobicContact CG-CD1 3.89Å |
| 61 | L | 87.7 | Confident | 84.1 | Confident | 14 Ų | 14 | 48.1 Ų | 48.1 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.4 | -49.3 | 174 | -170.8 | 86.6 | 0 | 0 | 0 | 110 | E57 K58 F63 Y64 K65 K101 C104 N105 L108 | E57-L61 VanDerWaalsContact O-CB 3.23Å; E57-L61 WeakPolarHBondContact O-CB 3.36Å; E57-L61 PolarHBondContact O-N 2.63Å; K58-L61 PolarHBondContact O-N 3.17Å; L61-F63 VanDerWaalsContact C-N 3.33Å; L61-F63 PolarHBondContact O-N 3.13Å; L61-Y64 PolarHBondContact O-N 3.04Å; L61-K65 WeakPolarHBondContact O-CB 3.39Å; L61-K65 VanDerWaalsContact O-CG 3.28Å; L61-K65 WeakPolarHBondContact O-CG 3.39Å; L61-K65 PolarHBondContact O-N 2.98Å; L61-K101 HydrophobicContact CD1-CG 3.93Å; L61-K101 VanDerWaalsContact CD1-O 3.26Å; L61-K101 WeakPolarHBondContact CD1-O 3.38Å; L61-C104 HydrophobicContact CB-CB 4.48Å; L61-C104 HydrophobicContact CD1-CB 4.29Å; L61-N105 HydrophobicContact CD1-CB 3.79Å; L61-L108 HydrophobicContact CD2-CD2 4.21Å |
| 62 | E | 86.1 | Confident | 83.8 | Confident | 105 Ų | 105 | 49 Ų | 49 | 49% | 0.491 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.5 | -42.5 | 174.9 | -160.8 | 79.7 | 157.8 | 0 | 0 | 111.8 | K58 K60 T66 | K58-E62 VanDerWaalsContact O-CB 3.25Å; K58-E62 WeakPolarHBondContact O-CB 3.45Å; K58-E62 PolarHBondContact O-N 3.06Å; K60-E62 VanDerWaalsContact C-N 3.35Å; E62-T66 WeakPolarHBondContact O-CB 3.28Å; E62-T66 PolarHBondContact O-N 3.12Å; E62-T66 PolarHBondContact O-OG1 3.47Å |
| 63 | F | 89.6 | Confident | 83.6 | Confident | 17 Ų | 17 | 48.5 Ų | 48.5 | 8% | 0.075 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.1 | -43.1 | 177.8 | 174.8 | -100.8 | 0 | 0 | 0 | 112.4 | V59 K60 L61 T66 C67 P74 L152 L156 | V59-F63 WeakPolarHBondContact O-CB 3.45Å; V59-F63 PolarHBondContact O-N 2.83Å; K60-F63 CarbonylContact O-C 3.36Å; K60-F63 PolarHBondContact O-N 3.21Å; L61-F63 VanDerWaalsContact C-N 3.33Å; L61-F63 PolarHBondContact O-N 3.13Å; F63-T66 CarbonylContact O-C 3.55Å; F63-T66 WeakPolarHBondContact O-CB 3.46Å; F63-T66 PolarHBondContact O-N 3.42Å; F63-C67 VanDerWaalsContact CE1-SG 3.6Å; F63-C67 PolarHBondContact O-N 3.47Å; F63-C67 PolarHBondContact O-SG 3.43Å; F63-P74 HydrophobicContact CE1-CB 4.22Å; F63-P74 HydrophobicContact CE1-CG 3.98Å; F63-P74 HydrophobicContact CZ-CB 4.18Å; F63-P74 HydrophobicContact CZ-CG 4.35Å; F63-L152 HydrophobicContact CB-CD1 3.74Å; F63-L152 HydrophobicContact CD1-CB 3.86Å; F63-L152 HydrophobicContact CD1-CD1 3.8Å; F63-L152 HydrophobicContact CD1-CD2 3.9Å; F63-L152 HydrophobicContact CD1-CG 4.06Å; F63-L152 HydrophobicContact CD2-CB 3.73Å; F63-L152 HydrophobicContact CD2-CD1 4.41Å; F63-L152 HydrophobicContact CE1-CB 3.82Å; F63-L152 HydrophobicContact CE1-CD1 4.5Å; F63-L152 HydrophobicContact CE1-CD2 3.9Å; F63-L152 HydrophobicContact CE1-CG 4.27Å; F63-L152 HydrophobicContact CE2-CB 3.69Å; F63-L152 HydrophobicContact CG-CB 3.8Å; F63-L152 HydrophobicContact CG-CD1 3.73Å; F63-L152 HydrophobicContact CG-CG 4.24Å; F63-L152 HydrophobicContact CZ-CB 3.74Å; F63-L152 WeakPolarHBondContact CZ-O 3.28Å; F63-L156 HydrophobicContact CE2-CD1 4.22Å; F63-L156 HydrophobicContact CE2-CD2 3.67Å; F63-L156 HydrophobicContact CE2-CG 3.95Å; F63-L156 HydrophobicContact CZ-CD2 3.54Å; F63-L156 HydrophobicContact CZ-CG 4.02Å |
| 64 | Y | 87.1 | Confident | 83.3 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 6% | 0.055 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.6 | -35.6 | 175.8 | -67.4 | -57.9 | 0 | 0 | 0 | 112.1 | K60 L61 T66 C67 I68 P74 H76 H100 | K60-Y64 HydrophobicContact CB-CD2 4.44Å; K60-Y64 HydrophobicContact CB-CE2 4.25Å; K60-Y64 WeakPolarHBondContact O-CD2 3.42Å; K60-Y64 PolarHBondContact O-N 3.43Å; L61-Y64 PolarHBondContact O-N 3.04Å; Y64-T66 VanDerWaalsContact C-N 3.28Å; Y64-T66 PolarHBondContact O-N 3.26Å; Y64-C67 PolarHBondContact O-N 3.35Å; Y64-I68 WeakPolarHBondContact O-CB 3.34Å; Y64-I68 WeakPolarHBondContact O-CD1 3.24Å; Y64-I68 WeakPolarHBondContact O-CG1 3.08Å; Y64-I68 PolarHBondContact O-N 3.07Å; Y64-P74 HydrophobicContact CE1-CG 4.23Å; Y64-H76 AromaticContact CE1-NE2 3.97Å; Y64-H76 AromaticContact CZ-NE2 3.95Å; Y64-H76 PolarHBondContact OH-CE1 3.16Å; Y64-H76 PolarHBondContact OH-NE2 3.29Å; Y64-H76 VanDerWaalsContact OH-NE2 3.09Å; Y64-H100 HydrophobicContact CD1-CB 4.37Å; Y64-H100 HydrophobicContact CD2-CB 4.08Å; Y64-H100 HydrophobicContact CE1-CB 4.24Å; Y64-H100 HydrophobicContact CE2-CB 3.93Å; Y64-H100 HydrophobicContact CG-CB 4.32Å |
| 65 | K | 89 | Confident | 82.7 | Confident | 104 Ų | 104 | 50.3 Ų | 50.3 | 45% | 0.452 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -54.5 | -46.4 | 165.6 | -76.7 | 176.8 | 178.6 | -175.8 | 0 | 110.8 | L61 I68 S69 K101 | L61-K65 WeakPolarHBondContact O-CB 3.39Å; L61-K65 VanDerWaalsContact O-CG 3.28Å; L61-K65 WeakPolarHBondContact O-CG 3.39Å; L61-K65 PolarHBondContact O-N 2.98Å; K65-I68 PolarHBondContact O-N 3.32Å; K65-S69 PolarHBondContact O-N 3.43Å; K65-S69 PolarHBondContact O-OG 3.01Å; K65-K101 HydrophobicContact CG-CG 4.47Å |
| 66 | T | 80.4 | Confident | 82.5 | Confident | 64 Ų | 64 | 53.2 Ų | 53.2 | 39% | 0.393 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 175.8 | -50.1 | 0 | 0 | 0 | 0 | 111.5 | E62 F63 Y64 I68 S69 T70 | E62-T66 WeakPolarHBondContact O-CB 3.28Å; E62-T66 PolarHBondContact O-N 3.12Å; E62-T66 PolarHBondContact O-OG1 3.47Å; F63-T66 CarbonylContact O-C 3.55Å; F63-T66 WeakPolarHBondContact O-CB 3.46Å; F63-T66 PolarHBondContact O-N 3.42Å; Y64-T66 VanDerWaalsContact C-N 3.28Å; Y64-T66 PolarHBondContact O-N 3.26Å; T66-I68 VanDerWaalsContact C-N 3.28Å; T66-I68 PolarHBondContact O-N 3.25Å; T66-S69 PolarHBondContact O-N 3.34Å; T66-S69 PolarHBondContact O-OG 2.87Å; T66-T70 HydrophobicContact CG2-CG2 3.97Å; T66-T70 WeakPolarHBondContact O-CG2 3.41Å; T66-T70 PolarHBondContact O-N 3.4Å; T66-T70 PolarHBondContact O-OG1 2.98Å |
| 67 | C | 80.1 | Confident | 82.3 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.2 | -34.6 | 177.8 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | F63 Y64 H71 I72 F73 | F63-C67 VanDerWaalsContact CE1-SG 3.6Å; F63-C67 PolarHBondContact O-N 3.47Å; F63-C67 PolarHBondContact O-SG 3.43Å; Y64-C67 PolarHBondContact O-N 3.35Å; C67-H71 CarbonylContact O-C 3.6Å; C67-H71 WeakPolarHBondContact O-CA 3.5Å; C67-H71 PolarHBondContact O-N 3.41Å; C67-I72 WeakPolarHBondContact CB-O 3.43Å; C67-I72 PolarHBondContact SG-O 3.25Å; C67-I72 VanDerWaalsContact SG-O 3.38Å; C67-F73 HydrophobicContact CB-CD1 4.15Å; C67-F73 HydrophobicContact CB-CE1 4.34Å; C67-F73 WeakPolarHBondContact O-CE1 3.43Å |
| 68 | I | 81.1 | Confident | 81.6 | Confident | 35 Ų | 35 | 53 Ų | 53 | 18% | 0.179 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71 | -38.6 | 176.1 | -68.8 | 162.1 | 0 | 0 | 0 | 110.9 | Y64 K65 T66 L94 A97 K98 K101 | Y64-I68 WeakPolarHBondContact O-CB 3.34Å; Y64-I68 WeakPolarHBondContact O-CD1 3.24Å; Y64-I68 WeakPolarHBondContact O-CG1 3.08Å; Y64-I68 PolarHBondContact O-N 3.07Å; K65-I68 PolarHBondContact O-N 3.32Å; T66-I68 VanDerWaalsContact C-N 3.28Å; T66-I68 PolarHBondContact O-N 3.25Å; I68-L94 HydrophobicContact CG2-CD2 4.19Å; I68-A97 HydrophobicContact CD1-CB 4.22Å; I68-A97 HydrophobicContact CG1-CB 3.73Å; I68-K98 HydrophobicContact CD1-CG 4.08Å; I68-K101 HydrophobicContact CD1-CB 4.21Å; I68-K101 HydrophobicContact CD1-CD 4.32Å |
| 69 | S | 80.8 | Confident | 80.7 | Confident | 91 Ų | 91 | 55 Ų | 55 | 64% | 0.636 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -85.5 | -28.4 | -178.3 | 62.6 | 0 | 0 | 0 | 0 | 114.7 | K65 T66 | K65-S69 PolarHBondContact O-N 3.43Å; K65-S69 PolarHBondContact O-OG 3.01Å; T66-S69 PolarHBondContact O-N 3.34Å; T66-S69 PolarHBondContact O-OG 2.87Å |
| 70 | T | 76 | Confident | 80.2 | Confident | 72 Ų | 72 | 58.7 Ų | 58.7 | 44% | 0.442 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -94.3 | -7.1 | 174.2 | 71 | 0 | 0 | 0 | 0 | 113.4 | T66 I72 | T66-T70 HydrophobicContact CG2-CG2 3.97Å; T66-T70 WeakPolarHBondContact O-CG2 3.41Å; T66-T70 PolarHBondContact O-N 3.4Å; T66-T70 PolarHBondContact O-OG1 2.98Å; T70-I72 WeakPolarHBondContact O-CG1 3.21Å; T70-I72 PolarHBondContact O-N 2.9Å; T70-I72 VanDerWaalsContact O-N 3.1Å; T70-I72 PolarHBondContact OG1-N 3.06Å |
| 71 | H | 69.5 | Low | 79.2 | Confident | 98 Ų | 98 | 56 Ų | 56 | 45% | 0.454 | 27% | 0.269 | S | S | . | . | trans | 57.4 | 14.6 | -172.2 | -64.2 | -108.1 | 0 | 0 | 0 | 115.1 | C67 F73 | C67-H71 CarbonylContact O-C 3.6Å; C67-H71 WeakPolarHBondContact O-CA 3.5Å; C67-H71 PolarHBondContact O-N 3.41Å; H71-F73 HydrophobicContact CB-CE2 4.26Å; H71-F73 WeakPolarHBondContact O-CD2 3.44Å; H71-F73 WeakPolarHBondContact O-CE2 3.15Å | ||
| 72 | I | 76.4 | Confident | 78 | Confident | 49 Ų | 49 | 63.9 Ų | 63.9 | 25% | 0.251 | 30% | 0.298 | S | S | . | . | trans | -93.7 | 108.5 | 178.3 | -55.1 | 178.8 | 0 | 0 | 0 | 109.5 | C67 T70 L156 V157 Y158 | C67-I72 WeakPolarHBondContact CB-O 3.43Å; C67-I72 PolarHBondContact SG-O 3.25Å; C67-I72 VanDerWaalsContact SG-O 3.38Å; T70-I72 WeakPolarHBondContact O-CG1 3.21Å; T70-I72 PolarHBondContact O-N 2.9Å; T70-I72 VanDerWaalsContact O-N 3.1Å; T70-I72 PolarHBondContact OG1-N 3.06Å; I72-L156 HydrophobicContact CG2-CB 4.14Å; I72-L156 HydrophobicContact CG2-CD2 3.99Å; I72-L156 HydrophobicContact CG2-CG 4.45Å; I72-L156 WeakPolarHBondContact O-CD2 3.31Å; I72-V157 WeakPolarHBondContact CG2-O 3.29Å; I72-Y158 HydrophobicContact CD1-CD1 4.33Å; I72-Y158 HydrophobicContact CG2-CD1 4.37Å | ||
| 73 | F | 79.8 | Confident | 76.9 | Confident | 1 Ų | 1 | 63 Ų | 63 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | trans | -100.1 | 148.7 | -171.8 | -62.7 | -74.6 | 0 | 0 | 0 | 114.5 | C67 H71 L77 Y78 V90 L93 L94 A97 V157 | C67-F73 HydrophobicContact CB-CD1 4.15Å; C67-F73 HydrophobicContact CB-CE1 4.34Å; C67-F73 WeakPolarHBondContact O-CE1 3.43Å; H71-F73 HydrophobicContact CB-CE2 4.26Å; H71-F73 WeakPolarHBondContact O-CD2 3.44Å; H71-F73 WeakPolarHBondContact O-CE2 3.15Å; F73-L77 HydrophobicContact CD1-CD1 4.08Å; F73-Y78 HydrophobicContact CB-CE2 3.85Å; F73-V90 HydrophobicContact CE2-CG1 4.48Å; F73-L93 HydrophobicContact CB-CD2 4.04Å; F73-L93 HydrophobicContact CD1-CB 4.14Å; F73-L93 HydrophobicContact CD2-CB 3.74Å; F73-L93 HydrophobicContact CD2-CD1 3.98Å; F73-L93 HydrophobicContact CD2-CG 4.31Å; F73-L93 HydrophobicContact CE1-CB 4.31Å; F73-L93 HydrophobicContact CE2-CB 3.92Å; F73-L93 HydrophobicContact CG-CB 3.86Å; F73-L93 HydrophobicContact CG-CD1 4.44Å; F73-L93 HydrophobicContact CG-CD2 4.24Å; F73-L93 HydrophobicContact CG-CG 4.41Å; F73-L93 HydrophobicContact CZ-CB 4.22Å; F73-L94 HydrophobicContact CE2-CD1 4.39Å; F73-L94 HydrophobicContact CZ-CD1 3.72Å; F73-L94 HydrophobicContact CZ-CG 4.13Å; F73-A97 HydrophobicContact CD1-CB 4.05Å; F73-A97 HydrophobicContact CE1-CB 3.71Å; F73-V157 PolarHBondContact O-N 2.94Å | ||
| 74 | P | 79.8 | Confident | 75.7 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -82 | 143.7 | 177.8 | 32.7 | -36.7 | 0 | 0 | 0 | 113.8 | F63 Y64 H76 L77 T155 | F63-P74 HydrophobicContact CE1-CB 4.22Å; F63-P74 HydrophobicContact CE1-CG 3.98Å; F63-P74 HydrophobicContact CZ-CB 4.18Å; F63-P74 HydrophobicContact CZ-CG 4.35Å; Y64-P74 HydrophobicContact CE1-CG 4.23Å; P74-H76 WeakPolarHBondContact CG-CE1 3.39Å; P74-H76 PolarHBondContact O-N 2.99Å; P74-L77 HydrophobicContact CG-CD1 4.12Å; P74-L77 HydrophobicContact CG-CG 4.04Å; P74-L77 PolarHBondContact O-N 3.16Å; P74-T155 CarbonylContact C-O 3.41Å; P74-T155 VanDerWaalsContact CA-O 3.22Å; P74-T155 WeakPolarHBondContact CA-O 3.35Å; P74-T155 VanDerWaalsContact CB-OG1 3.27Å; P74-T155 WeakPolarHBondContact CB-OG1 3.49Å |
| 75 | R | 73.8 | Confident | 74.2 | Confident | 172 Ų | 172 | 74 Ų | 74 | 65% | 0.649 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -44.4 | -29.9 | -179.9 | -74.8 | 178.9 | -177.3 | -162.6 | -2.5 | 115.6 | K79 T155 V157 | R75-K79 PolarHBondContact O-N 2.88Å; R75-T155 WeakPolarHBondContact CG-O 3.37Å; R75-T155 PolarHBondContact N-O 3.06Å; R75-V157 HydrophobicContact CB-CG2 4.32Å; R75-V157 HydrophobicContact CG-CG2 3.37Å |
| 76 | H | 79.5 | Confident | 72.9 | Confident | 67 Ų | 67 | 72.5 Ų | 72.5 | 31% | 0.31 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -73.3 | -28.2 | -178.9 | 70.7 | -100.4 | 0 | 0 | 0 | 112.7 | Y64 P74 K79 F80 | Y64-H76 AromaticContact CE1-NE2 3.97Å; Y64-H76 AromaticContact CZ-NE2 3.95Å; Y64-H76 PolarHBondContact OH-CE1 3.16Å; Y64-H76 PolarHBondContact OH-NE2 3.29Å; Y64-H76 VanDerWaalsContact OH-NE2 3.09Å; P74-H76 WeakPolarHBondContact CG-CE1 3.39Å; P74-H76 PolarHBondContact O-N 2.99Å; H76-K79 PolarHBondContact O-N 3.47Å; H76-F80 WeakPolarHBondContact O-CB 3.5Å; H76-F80 PolarHBondContact O-N 3.39Å |
| 77 | L | 81.1 | Confident | 71.8 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.4 | -47.9 | 172.5 | -58.8 | -176 | 0 | 0 | 0 | 110.2 | F73 P74 K79 F80 L81 L93 L96 A97 H100 | F73-L77 HydrophobicContact CD1-CD1 4.08Å; P74-L77 HydrophobicContact CG-CD1 4.12Å; P74-L77 HydrophobicContact CG-CG 4.04Å; P74-L77 PolarHBondContact O-N 3.16Å; L77-K79 PolarHBondContact O-N 3.17Å; L77-F80 PolarHBondContact O-N 3.05Å; L77-F80 VanDerWaalsContact O-N 3.08Å; L77-L81 WeakPolarHBondContact O-CD1 3.41Å; L77-L81 WeakPolarHBondContact O-CG 3.3Å; L77-L81 PolarHBondContact O-N 3.32Å; L77-L93 HydrophobicContact CB-CD2 3.9Å; L77-L96 HydrophobicContact CD2-CB 4.18Å; L77-A97 HydrophobicContact CD1-CB 4.09Å; L77-H100 VanDerWaalsContact CD2-CD2 3.47Å; L77-H100 WeakPolarHBondContact CD2-CD2 3.24Å |
| 78 | Y | 71.9 | Confident | 71.1 | Confident | 26 Ų | 26 | 78.9 Ų | 78.9 | 10% | 0.102 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -54.4 | -38.9 | 171.1 | -64.7 | -88 | 0 | 0 | 0 | 112.4 | F73 R82 P88 L93 V157 | F73-Y78 HydrophobicContact CB-CE2 3.85Å; Y78-R82 WeakPolarHBondContact O-CB 3.47Å; Y78-R82 WeakPolarHBondContact O-CD 3.38Å; Y78-R82 WeakPolarHBondContact O-CG 3.33Å; Y78-R82 PolarHBondContact O-N 3Å; Y78-R82 VanDerWaalsContact O-N 3.13Å; Y78-P88 HydrophobicContact CD1-CB 3.92Å; Y78-P88 HydrophobicContact CE1-CB 4.41Å; Y78-L93 HydrophobicContact CD1-CD1 4.37Å; Y78-L93 HydrophobicContact CD1-CD2 4.17Å; Y78-L93 HydrophobicContact CD2-CD2 4.23Å; Y78-L93 HydrophobicContact CE1-CD1 3.65Å; Y78-L93 HydrophobicContact CE1-CD2 4.11Å; Y78-L93 HydrophobicContact CE2-CD2 4.19Å; Y78-L93 HydrophobicContact CG-CD2 4.24Å; Y78-V157 HydrophobicContact CD2-CG2 3.93Å; Y78-V157 HydrophobicContact CE2-CB 3.86Å; Y78-V157 HydrophobicContact CE2-CG2 3.69Å |
| 79 | K | 69.9 | Low | 70.5 | Confident | 152 Ų | 152 | 80.8 Ų | 80.8 | 66% | 0.661 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -67.5 | -45.1 | 175.2 | -163.8 | -177.9 | -179.6 | -170.7 | 0 | 111.5 | R75 H76 L77 L81 R82 S83 | R75-K79 PolarHBondContact O-N 2.88Å; H76-K79 PolarHBondContact O-N 3.47Å; L77-K79 PolarHBondContact O-N 3.17Å; K79-L81 PolarHBondContact O-N 2.89Å; K79-R82 PolarHBondContact O-N 2.85Å; K79-S83 WeakPolarHBondContact O-CB 3.36Å; K79-S83 PolarHBondContact O-N 3.09Å; K79-S83 PolarHBondContact O-OG 3.49Å |
| 80 | F | 75.3 | Confident | 69.9 | Low | 93 Ų | 93 | 79.9 Ų | 79.9 | 41% | 0.408 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 177.1 | -173.3 | -86.6 | 0 | 0 | 0 | 112 | H76 L77 S83 N84 L96 | H76-F80 WeakPolarHBondContact O-CB 3.5Å; H76-F80 PolarHBondContact O-N 3.39Å; L77-F80 PolarHBondContact O-N 3.05Å; L77-F80 VanDerWaalsContact O-N 3.08Å; F80-S83 PolarHBondContact O-N 3.49Å; F80-N84 WeakPolarHBondContact CD1-ND2 3.39Å; F80-N84 WeakPolarHBondContact CE1-ND2 3.36Å; F80-N84 VanDerWaalsContact CZ-ND2 3.32Å; F80-N84 WeakPolarHBondContact CZ-ND2 3.29Å; F80-N84 PolarHBondContact O-N 3.15Å; F80-N84 PolarHBondContact O-ND2 2.94Å; F80-L96 HydrophobicContact CD1-CD1 3.69Å; F80-L96 HydrophobicContact CD1-CD2 3.73Å; F80-L96 HydrophobicContact CD1-CG 4.4Å; F80-L96 HydrophobicContact CE1-CD1 4.34Å; F80-L96 HydrophobicContact CE1-CD2 3.66Å |
| 81 | L | 68.7 | Low | 69.7 | Low | 1 Ų | 1 | 80.6 Ų | 80.6 | 1% | 0.005 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.9 | -50.4 | 176 | -73 | 155.2 | 0 | 0 | 0 | 111.2 | L77 K79 S83 N84 K85 L86 P88 N92 L93 L96 | L77-L81 WeakPolarHBondContact O-CD1 3.41Å; L77-L81 WeakPolarHBondContact O-CG 3.3Å; L77-L81 PolarHBondContact O-N 3.32Å; K79-L81 PolarHBondContact O-N 2.89Å; L81-S83 VanDerWaalsContact C-N 3.34Å; L81-S83 PolarHBondContact O-N 3.42Å; L81-N84 CarbonylContact O-C 3.6Å; L81-N84 PolarHBondContact O-N 2.81Å; L81-K85 PolarHBondContact O-N 3.36Å; L81-K85 VanDerWaalsContact O-N 3.12Å; L81-L86 CarbonylContact C-O 3.59Å; L81-L86 HydrophobicContact CD2-CB 3.7Å; L81-L86 HydrophobicContact CD2-CD1 4.2Å; L81-L86 PolarHBondContact O-N 3.3Å; L81-P88 HydrophobicContact CB-CB 4.29Å; L81-P88 HydrophobicContact CD1-CB 3.89Å; L81-N92 HydrophobicContact CD2-CB 3.78Å; L81-L93 HydrophobicContact CD1-CD2 3.42Å; L81-L93 VanDerWaalsContact CD1-CD2 3.42Å; L81-L93 HydrophobicContact CD1-CG 3.79Å; L81-L96 HydrophobicContact CD1-CD1 3.87Å; L81-L96 HydrophobicContact CD2-CD1 3.46Å; L81-L96 VanDerWaalsContact CD2-CD1 3.46Å; L81-L96 HydrophobicContact CG-CD1 3.4Å; L81-L96 VanDerWaalsContact CG-CD1 3.4Å |
| 82 | R | 61.7 | Low | 69.8 | Low | 180 Ų | 180 | 77.4 Ų | 77.4 | 68% | 0.679 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.6 | -38 | 176.1 | -69.2 | 169 | -174.8 | -175.1 | 1.5 | 112.7 | Y78 K79 K85 | Y78-R82 WeakPolarHBondContact O-CB 3.47Å; Y78-R82 WeakPolarHBondContact O-CD 3.38Å; Y78-R82 WeakPolarHBondContact O-CG 3.33Å; Y78-R82 PolarHBondContact O-N 3Å; Y78-R82 VanDerWaalsContact O-N 3.13Å; K79-R82 PolarHBondContact O-N 2.85Å; R82-K85 PolarHBondContact O-N 3.36Å |
| 83 | S | 63.8 | Low | 69.9 | Low | 87 Ų | 87 | 75.2 Ų | 75.2 | 61% | 0.608 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.4 | -40.2 | 174.3 | -74.7 | 0 | 0 | 0 | 0 | 112.7 | K79 F80 L81 K85 | K79-S83 WeakPolarHBondContact O-CB 3.36Å; K79-S83 PolarHBondContact O-N 3.09Å; K79-S83 PolarHBondContact O-OG 3.49Å; F80-S83 PolarHBondContact O-N 3.49Å; L81-S83 VanDerWaalsContact C-N 3.34Å; L81-S83 PolarHBondContact O-N 3.42Å; S83-K85 VanDerWaalsContact C-N 3.29Å; S83-K85 PolarHBondContact O-N 2.7Å |
| 84 | N | 64.3 | Low | 69.9 | Low | 86 Ų | 86 | 76.7 Ų | 76.7 | 46% | 0.46 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 17.8 | 179.8 | -66.3 | -86 | 0 | 0 | 0 | 113.1 | F80 L81 L86 | F80-N84 WeakPolarHBondContact CD1-ND2 3.39Å; F80-N84 WeakPolarHBondContact CE1-ND2 3.36Å; F80-N84 VanDerWaalsContact CZ-ND2 3.32Å; F80-N84 WeakPolarHBondContact CZ-ND2 3.29Å; F80-N84 PolarHBondContact O-N 3.15Å; F80-N84 PolarHBondContact O-ND2 2.94Å; L81-N84 CarbonylContact O-C 3.6Å; L81-N84 PolarHBondContact O-N 2.81Å; N84-L86 HydrophobicContact CB-CD1 4.43Å; N84-L86 PolarHBondContact O-N 2.81Å |
| 85 | K | 56.4 | Low | 69.9 | Low | 175 Ų | 175 | 84.9 Ų | 84.9 | 76% | 0.761 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 13.1 | -179.3 | -55.1 | 176.2 | -176.5 | 173 | 0 | 115.5 | L81 R82 S83 | L81-K85 PolarHBondContact O-N 3.36Å; L81-K85 VanDerWaalsContact O-N 3.12Å; R82-K85 PolarHBondContact O-N 3.36Å; S83-K85 VanDerWaalsContact C-N 3.29Å; S83-K85 PolarHBondContact O-N 2.7Å |
| 86 | L | 61.5 | Low | 70.2 | Confident | 73 Ų | 73 | 77.8 Ų | 77.8 | 38% | 0.382 | 38% | 0.379 | S | S | . | . | trans | -84 | 141.5 | 179.7 | -70.5 | 171.7 | 0 | 0 | 0 | 111.7 | L81 N84 | L81-L86 CarbonylContact C-O 3.59Å; L81-L86 HydrophobicContact CD2-CB 3.7Å; L81-L86 HydrophobicContact CD2-CD1 4.2Å; L81-L86 PolarHBondContact O-N 3.3Å; N84-L86 HydrophobicContact CB-CD1 4.43Å; N84-L86 PolarHBondContact O-N 2.81Å | ||
| 87 | Q | 57.5 | Low | 70.3 | Confident | 149 Ų | 149 | 74.6 Ų | 74.6 | 70% | 0.696 | 36% | 0.364 | S | S | * | . | trans | -69.2 | 133.8 | 174 | -71.6 | -154.4 | 15.9 | 0 | 0 | 111.6 | N89 N92 | Q87-N89 PolarHBondContact O-N 2.81Å; Q87-N92 PolarHBondContact O-ND2 2.69Å | ||
| 88 | P | 63.8 | Low | 70.6 | Confident | 50 Ų | 50 | 79.4 Ų | 79.4 | 33% | 0.325 | 39% | 0.385 | S | S | . | . | trans | -84.5 | 56.7 | 179.6 | 37.3 | -37.1 | 0 | 0 | 0 | 112.5 | Y78 L81 | Y78-P88 HydrophobicContact CD1-CB 3.92Å; Y78-P88 HydrophobicContact CE1-CB 4.41Å; L81-P88 HydrophobicContact CB-CB 4.29Å; L81-P88 HydrophobicContact CD1-CB 3.89Å | ||
| 89 | N | 68.6 | Low | 71.2 | Confident | 74 Ų | 74 | 80.2 Ų | 80.2 | 40% | 0.396 | 40% | 0.395 | S | S | . | . | trans | -75.5 | 162.2 | 167.7 | 65.3 | 20.7 | 0 | 0 | 0 | 110.7 | Q87 S91 N92 L93 | Q87-N89 PolarHBondContact O-N 2.81Å; N89-S91 PolarHBondContact O-N 3.37Å; N89-N92 PolarHBondContact O-N 3.07Å; N89-N92 VanDerWaalsContact O-N 3.17Å; N89-N92 VanDerWaalsContact OD1-CB 3.23Å; N89-N92 WeakPolarHBondContact OD1-CB 3.47Å; N89-N92 VanDerWaalsContact OD1-CG 3.31Å; N89-N92 PolarHBondContact OD1-N 3.05Å; N89-N92 PolarHBondContact OD1-ND2 2.98Å; N89-L93 WeakPolarHBondContact O-CG 3.5Å; N89-L93 PolarHBondContact O-N 3.4Å | ||
| 90 | V | 68.7 | Low | 71.9 | Confident | 72 Ų | 72 | 75.5 Ų | 75.5 | 44% | 0.436 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.3 | -38.4 | -177.5 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | F73 L93 L94 | F73-V90 HydrophobicContact CE2-CG1 4.48Å; V90-L93 PolarHBondContact O-N 3.38Å; V90-L94 HydrophobicContact CG1-CD1 3.63Å; V90-L94 WeakPolarHBondContact O-CB 3.24Å; V90-L94 PolarHBondContact O-N 3.37Å |
| 91 | S | 72.1 | Confident | 72.6 | Confident | 88 Ų | 88 | 73.9 Ų | 73.9 | 62% | 0.615 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.4 | -43.3 | 178.2 | -51.4 | 0 | 0 | 0 | 0 | 113.5 | N89 L94 R95 | N89-S91 PolarHBondContact O-N 3.37Å; S91-L94 PolarHBondContact O-N 2.94Å; S91-R95 VanDerWaalsContact O-CB 3.28Å; S91-R95 WeakPolarHBondContact O-CB 3.34Å; S91-R95 PolarHBondContact O-N 3.06Å |
| 92 | N | 72.3 | Confident | 73.3 | Confident | 31 Ų | 31 | 77.5 Ų | 77.5 | 17% | 0.166 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -72.6 | -34.5 | 176.5 | -77.9 | -28 | 0 | 0 | 0 | 112.2 | L81 Q87 N89 R95 L96 | L81-N92 HydrophobicContact CD2-CB 3.78Å; Q87-N92 PolarHBondContact O-ND2 2.69Å; N89-N92 PolarHBondContact O-N 3.07Å; N89-N92 VanDerWaalsContact O-N 3.17Å; N89-N92 VanDerWaalsContact OD1-CB 3.23Å; N89-N92 WeakPolarHBondContact OD1-CB 3.47Å; N89-N92 VanDerWaalsContact OD1-CG 3.31Å; N89-N92 PolarHBondContact OD1-N 3.05Å; N89-N92 PolarHBondContact OD1-ND2 2.98Å; N92-R95 PolarHBondContact O-N 2.99Å; N92-L96 WeakPolarHBondContact O-CB 3.43Å; N92-L96 PolarHBondContact O-N 3.28Å |
| 93 | L | 77.1 | Confident | 74.5 | Confident | 3 Ų | 3 | 75.4 Ų | 75.4 | 2% | 0.016 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 171 | -73.9 | 162.7 | 0 | 0 | 0 | 111.3 | F73 L77 Y78 L81 N89 V90 L96 A97 | F73-L93 HydrophobicContact CB-CD2 4.04Å; F73-L93 HydrophobicContact CD1-CB 4.14Å; F73-L93 HydrophobicContact CD2-CB 3.74Å; F73-L93 HydrophobicContact CD2-CD1 3.98Å; F73-L93 HydrophobicContact CD2-CG 4.31Å; F73-L93 HydrophobicContact CE1-CB 4.31Å; F73-L93 HydrophobicContact CE2-CB 3.92Å; F73-L93 HydrophobicContact CG-CB 3.86Å; F73-L93 HydrophobicContact CG-CD1 4.44Å; F73-L93 HydrophobicContact CG-CD2 4.24Å; F73-L93 HydrophobicContact CG-CG 4.41Å; F73-L93 HydrophobicContact CZ-CB 4.22Å; L77-L93 HydrophobicContact CB-CD2 3.9Å; Y78-L93 HydrophobicContact CD1-CD1 4.37Å; Y78-L93 HydrophobicContact CD1-CD2 4.17Å; Y78-L93 HydrophobicContact CD2-CD2 4.23Å; Y78-L93 HydrophobicContact CE1-CD1 3.65Å; Y78-L93 HydrophobicContact CE1-CD2 4.11Å; Y78-L93 HydrophobicContact CE2-CD2 4.19Å; Y78-L93 HydrophobicContact CG-CD2 4.24Å; L81-L93 HydrophobicContact CD1-CD2 3.42Å; L81-L93 VanDerWaalsContact CD1-CD2 3.42Å; L81-L93 HydrophobicContact CD1-CG 3.79Å; N89-L93 WeakPolarHBondContact O-CG 3.5Å; N89-L93 PolarHBondContact O-N 3.4Å; V90-L93 PolarHBondContact O-N 3.38Å; L93-L96 PolarHBondContact O-N 2.96Å; L93-A97 VanDerWaalsContact O-CB 3.24Å; L93-A97 WeakPolarHBondContact O-CB 3.41Å; L93-A97 PolarHBondContact O-N 3.36Å |
| 94 | L | 79.6 | Confident | 75.3 | Confident | 31 Ų | 31 | 71.6 Ų | 71.6 | 16% | 0.162 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 172.4 | -109.7 | 106.8 | 0 | 0 | 0 | 112 | I68 F73 V90 S91 L96 A97 K98 | I68-L94 HydrophobicContact CG2-CD2 4.19Å; F73-L94 HydrophobicContact CE2-CD1 4.39Å; F73-L94 HydrophobicContact CZ-CD1 3.72Å; F73-L94 HydrophobicContact CZ-CG 4.13Å; V90-L94 HydrophobicContact CG1-CD1 3.63Å; V90-L94 WeakPolarHBondContact O-CB 3.24Å; V90-L94 PolarHBondContact O-N 3.37Å; S91-L94 PolarHBondContact O-N 2.94Å; L94-L96 VanDerWaalsContact C-N 3.33Å; L94-L96 PolarHBondContact O-N 3.01Å; L94-A97 PolarHBondContact O-N 2.79Å; L94-K98 VanDerWaalsContact O-CB 3.27Å; L94-K98 WeakPolarHBondContact O-CB 3.48Å; L94-K98 VanDerWaalsContact O-CG 3.31Å; L94-K98 WeakPolarHBondContact O-CG 3.42Å; L94-K98 PolarHBondContact O-N 2.89Å |
| 95 | R | 79.8 | Confident | 76.5 | Confident | 172 Ų | 172 | 70.4 Ų | 70.4 | 65% | 0.649 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.9 | -42.8 | 177.2 | 176.8 | 179.1 | 167.1 | -168.3 | -1.2 | 111.2 | S91 N92 S99 | S91-R95 VanDerWaalsContact O-CB 3.28Å; S91-R95 WeakPolarHBondContact O-CB 3.34Å; S91-R95 PolarHBondContact O-N 3.06Å; N92-R95 PolarHBondContact O-N 2.99Å; R95-S99 WeakPolarHBondContact O-CB 3.49Å; R95-S99 PolarHBondContact O-N 3.37Å |
| 96 | L | 81.5 | Confident | 77.8 | Confident | 23 Ų | 23 | 66.5 Ų | 66.5 | 12% | 0.12 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -73.4 | -36.6 | 174.5 | -78.2 | 170 | 0 | 0 | 0 | 113.2 | L77 F80 L81 N92 L93 L94 K98 S99 H100 | L77-L96 HydrophobicContact CD2-CB 4.18Å; F80-L96 HydrophobicContact CD1-CD1 3.69Å; F80-L96 HydrophobicContact CD1-CD2 3.73Å; F80-L96 HydrophobicContact CD1-CG 4.4Å; F80-L96 HydrophobicContact CE1-CD1 4.34Å; F80-L96 HydrophobicContact CE1-CD2 3.66Å; L81-L96 HydrophobicContact CD1-CD1 3.87Å; L81-L96 HydrophobicContact CD2-CD1 3.46Å; L81-L96 VanDerWaalsContact CD2-CD1 3.46Å; L81-L96 HydrophobicContact CG-CD1 3.4Å; L81-L96 VanDerWaalsContact CG-CD1 3.4Å; N92-L96 WeakPolarHBondContact O-CB 3.43Å; N92-L96 PolarHBondContact O-N 3.28Å; L93-L96 PolarHBondContact O-N 2.96Å; L94-L96 VanDerWaalsContact C-N 3.33Å; L94-L96 PolarHBondContact O-N 3.01Å; L96-K98 VanDerWaalsContact C-N 3.34Å; L96-S99 PolarHBondContact O-N 2.97Å; L96-H100 WeakPolarHBondContact O-CB 3.34Å; L96-H100 PolarHBondContact O-CD2 3.14Å; L96-H100 VanDerWaalsContact O-CD2 3.32Å; L96-H100 PolarHBondContact O-N 3.18Å |
| 97 | A | 81.8 | Confident | 79 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.9 | -36.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I68 F73 L77 L93 L94 K101 | I68-A97 HydrophobicContact CD1-CB 4.22Å; I68-A97 HydrophobicContact CG1-CB 3.73Å; F73-A97 HydrophobicContact CD1-CB 4.05Å; F73-A97 HydrophobicContact CE1-CB 3.71Å; L77-A97 HydrophobicContact CD1-CB 4.09Å; L93-A97 VanDerWaalsContact O-CB 3.24Å; L93-A97 WeakPolarHBondContact O-CB 3.41Å; L93-A97 PolarHBondContact O-N 3.36Å; L94-A97 PolarHBondContact O-N 2.79Å; A97-K101 VanDerWaalsContact O-CB 3.23Å; A97-K101 WeakPolarHBondContact O-CB 3.48Å; A97-K101 PolarHBondContact O-N 3.06Å |
| 98 | K | 86.6 | Confident | 80.4 | Confident | 101 Ų | 101 | 60.7 Ų | 60.7 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.5 | -53 | 168.9 | -77.8 | 179.2 | 174.7 | -177.6 | 0 | 110.4 | I68 L94 L96 H100 K101 E102 | I68-K98 HydrophobicContact CD1-CG 4.08Å; L94-K98 VanDerWaalsContact O-CB 3.27Å; L94-K98 WeakPolarHBondContact O-CB 3.48Å; L94-K98 VanDerWaalsContact O-CG 3.31Å; L94-K98 WeakPolarHBondContact O-CG 3.42Å; L94-K98 PolarHBondContact O-N 2.89Å; L96-K98 VanDerWaalsContact C-N 3.34Å; K98-H100 VanDerWaalsContact C-N 3.28Å; K98-H100 PolarHBondContact O-N 2.95Å; K98-K101 CarbonylContact O-C 3.53Å; K98-K101 WeakPolarHBondContact O-CA 3.35Å; K98-K101 VanDerWaalsContact O-CB 3.3Å; K98-K101 WeakPolarHBondContact O-CB 3.48Å; K98-K101 PolarHBondContact O-N 2.88Å; K98-E102 VanDerWaalsContact C-CD 3.49Å; K98-E102 PolarHBondContact O-N 2.78Å; K98-E102 VanDerWaalsContact O-OE2 3.1Å |
| 99 | S | 84.6 | Confident | 81.4 | Confident | 43 Ų | 43 | 62.4 Ų | 62.4 | 30% | 0.301 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.6 | -34.4 | 177 | -173.4 | 0 | 0 | 0 | 0 | 113.5 | R95 L96 E102 K103 | R95-S99 WeakPolarHBondContact O-CB 3.49Å; R95-S99 PolarHBondContact O-N 3.37Å; L96-S99 PolarHBondContact O-N 2.97Å; S99-E102 WeakPolarHBondContact CA-OE2 3.43Å; S99-E102 PolarHBondContact N-OE2 2.94Å; S99-K103 WeakPolarHBondContact O-CB 3.29Å; S99-K103 WeakPolarHBondContact O-CG 3.21Å; S99-K103 PolarHBondContact O-N 2.73Å |
| 100 | H | 84.6 | Confident | 82.2 | Confident | 53 Ų | 53 | 65.7 Ų | 65.7 | 25% | 0.245 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -74.6 | -33.9 | 171.6 | -88.7 | -75.9 | 0 | 0 | 0 | 113 | Y64 L77 L96 K98 C104 | Y64-H100 HydrophobicContact CD1-CB 4.37Å; Y64-H100 HydrophobicContact CD2-CB 4.08Å; Y64-H100 HydrophobicContact CE1-CB 4.24Å; Y64-H100 HydrophobicContact CE2-CB 3.93Å; Y64-H100 HydrophobicContact CG-CB 4.32Å; L77-H100 VanDerWaalsContact CD2-CD2 3.47Å; L77-H100 WeakPolarHBondContact CD2-CD2 3.24Å; L96-H100 WeakPolarHBondContact O-CB 3.34Å; L96-H100 PolarHBondContact O-CD2 3.14Å; L96-H100 VanDerWaalsContact O-CD2 3.32Å; L96-H100 PolarHBondContact O-N 3.18Å; K98-H100 VanDerWaalsContact C-N 3.28Å; K98-H100 PolarHBondContact O-N 2.95Å; H100-C104 VanDerWaalsContact O-CB 3.25Å; H100-C104 WeakPolarHBondContact O-CB 3.33Å; H100-C104 PolarHBondContact O-N 2.97Å; H100-C104 PolarHBondContact O-SG 3.31Å |
| 101 | K | 88.9 | Confident | 83 | Confident | 59 Ų | 59 | 63 Ų | 63 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 170.1 | -179.3 | -134.9 | 72.3 | -162.8 | 0 | 110.3 | L61 K65 I68 A97 K98 C104 N105 | L61-K101 HydrophobicContact CD1-CG 3.93Å; L61-K101 VanDerWaalsContact CD1-O 3.26Å; L61-K101 WeakPolarHBondContact CD1-O 3.38Å; K65-K101 HydrophobicContact CG-CG 4.47Å; I68-K101 HydrophobicContact CD1-CB 4.21Å; I68-K101 HydrophobicContact CD1-CD 4.32Å; A97-K101 VanDerWaalsContact O-CB 3.23Å; A97-K101 WeakPolarHBondContact O-CB 3.48Å; A97-K101 PolarHBondContact O-N 3.06Å; K98-K101 CarbonylContact O-C 3.53Å; K98-K101 WeakPolarHBondContact O-CA 3.35Å; K98-K101 VanDerWaalsContact O-CB 3.3Å; K98-K101 WeakPolarHBondContact O-CB 3.48Å; K98-K101 PolarHBondContact O-N 2.88Å; K101-C104 PolarHBondContact O-N 3.09Å; K101-N105 VanDerWaalsContact O-CB 3.31Å; K101-N105 WeakPolarHBondContact O-CB 3.34Å; K101-N105 PolarHBondContact O-N 3.01Å |
| 102 | E | 84.7 | Confident | 83.5 | Confident | 78 Ų | 78 | 61.9 Ų | 61.9 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.6 | -56.8 | 172.4 | -80.6 | 111.1 | -130.1 | 0 | 0 | 110.9 | K98 S99 C104 N105 D106 | K98-E102 VanDerWaalsContact C-CD 3.49Å; K98-E102 PolarHBondContact O-N 2.78Å; K98-E102 VanDerWaalsContact O-OE2 3.1Å; S99-E102 WeakPolarHBondContact CA-OE2 3.43Å; S99-E102 PolarHBondContact N-OE2 2.94Å; E102-C104 VanDerWaalsContact C-N 3.26Å; E102-C104 PolarHBondContact O-N 3.37Å; E102-C104 VanDerWaalsContact O-N 3.17Å; E102-N105 CarbonylContact O-C 3.3Å; E102-N105 VanDerWaalsContact O-CA 3.29Å; E102-N105 WeakPolarHBondContact O-CA 3.45Å; E102-N105 VanDerWaalsContact O-CB 3.26Å; E102-N105 WeakPolarHBondContact O-CB 3.35Å; E102-N105 PolarHBondContact O-N 2.89Å; E102-D106 PolarHBondContact O-N 3.35Å |
| 103 | K | 85.3 | Confident | 83.9 | Confident | 135 Ų | 135 | 65.6 Ų | 65.6 | 59% | 0.587 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -57 | -36 | 177 | -76 | -179.6 | 176.4 | -179 | 0 | 113.8 | S99 N105 M107 | S99-K103 WeakPolarHBondContact O-CB 3.29Å; S99-K103 WeakPolarHBondContact O-CG 3.21Å; S99-K103 PolarHBondContact O-N 2.73Å; K103-N105 VanDerWaalsContact C-N 3.34Å; K103-M107 WeakPolarHBondContact O-CB 3.4Å; K103-M107 PolarHBondContact O-N 2.97Å; K103-M107 VanDerWaalsContact O-N 3.08Å |
| 104 | C | 82.5 | Confident | 84.1 | Confident | 8 Ų | 8 | 69.2 Ų | 69.2 | 5% | 0.054 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71.1 | -27 | 172 | -81.1 | 0 | 0 | 0 | 0 | 113 | E57 L61 H100 K101 E102 L108 | E57-C104 PolarHBondContact OE2-SG 3.33Å; L61-C104 HydrophobicContact CB-CB 4.48Å; L61-C104 HydrophobicContact CD1-CB 4.29Å; H100-C104 VanDerWaalsContact O-CB 3.25Å; H100-C104 WeakPolarHBondContact O-CB 3.33Å; H100-C104 PolarHBondContact O-N 2.97Å; H100-C104 PolarHBondContact O-SG 3.31Å; K101-C104 PolarHBondContact O-N 3.09Å; E102-C104 VanDerWaalsContact C-N 3.26Å; E102-C104 PolarHBondContact O-N 3.37Å; E102-C104 VanDerWaalsContact O-N 3.17Å; C104-L108 WeakPolarHBondContact O-CB 3.33Å; C104-L108 PolarHBondContact O-N 2.86Å |
| 105 | N | 88.2 | Confident | 84.3 | Confident | 61 Ų | 61 | 69.6 Ų | 69.6 | 33% | 0.326 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -77.5 | -46.1 | 175.6 | -158.8 | 74.6 | 0 | 0 | 0 | 111.4 | L61 K101 E102 K103 L108 N109 | L61-N105 HydrophobicContact CD1-CB 3.79Å; K101-N105 VanDerWaalsContact O-CB 3.31Å; K101-N105 WeakPolarHBondContact O-CB 3.34Å; K101-N105 PolarHBondContact O-N 3.01Å; E102-N105 CarbonylContact O-C 3.3Å; E102-N105 VanDerWaalsContact O-CA 3.29Å; E102-N105 WeakPolarHBondContact O-CA 3.45Å; E102-N105 VanDerWaalsContact O-CB 3.26Å; E102-N105 WeakPolarHBondContact O-CB 3.35Å; E102-N105 PolarHBondContact O-N 2.89Å; K103-N105 VanDerWaalsContact C-N 3.34Å; N105-L108 CarbonylContact O-C 3.53Å; N105-L108 WeakPolarHBondContact O-CB 3.39Å; N105-L108 PolarHBondContact O-N 3.27Å; N105-N109 VanDerWaalsContact O-CG 3.26Å; N105-N109 PolarHBondContact O-N 2.76Å; N105-N109 PolarHBondContact O-OD1 3.46Å |
| 106 | D | 84.8 | Confident | 84.2 | Confident | 92 Ų | 92 | 66 Ų | 66 | 49% | 0.492 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 177.8 | -50.5 | -30.3 | 0 | 0 | 0 | 110.4 | E102 L108 N109 K110 | E102-D106 PolarHBondContact O-N 3.35Å; D106-L108 VanDerWaalsContact C-N 3.32Å; D106-L108 PolarHBondContact O-N 3.49Å; D106-N109 PolarHBondContact O-N 3.32Å; D106-K110 WeakPolarHBondContact O-CB 3.33Å; D106-K110 PolarHBondContact O-N 3.46Å |
| 107 | M | 86.1 | Confident | 83.9 | Confident | 92 Ų | 92 | 70.7 Ų | 70.7 | 45% | 0.453 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.2 | -32.7 | 175.9 | -165.1 | 165.8 | 68.4 | 0 | 0 | 111.6 | E57 K103 L111 | E57-M107 HydrophobicContact CG-CE 3.81Å; E57-M107 WeakPolarHBondContact OE2-CE 3.43Å; K103-M107 WeakPolarHBondContact O-CB 3.4Å; K103-M107 PolarHBondContact O-N 2.97Å; K103-M107 VanDerWaalsContact O-N 3.08Å; M107-L111 HydrophobicContact CG-CD1 4.22Å; M107-L111 VanDerWaalsContact O-CB 3.28Å; M107-L111 WeakPolarHBondContact O-CB 3.3Å; M107-L111 VanDerWaalsContact O-CD1 3.26Å; M107-L111 WeakPolarHBondContact O-CD1 3.37Å; M107-L111 WeakPolarHBondContact O-CG 3.17Å; M107-L111 PolarHBondContact O-N 3.19Å |
| 108 | L | 86 | Confident | 83.5 | Confident | 9 Ų | 9 | 71.7 Ų | 71.7 | 5% | 0.047 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 171.4 | 172.6 | 62.2 | 0 | 0 | 0 | 111.8 | I54 E57 K58 L61 C104 N105 D106 L111 I112 | I54-L108 HydrophobicContact CB-CD1 4.18Å; I54-L108 HydrophobicContact CG1-CD1 4.3Å; I54-L108 HydrophobicContact CG2-CD1 3.77Å; E57-L108 HydrophobicContact CB-CB 4.21Å; K58-L108 HydrophobicContact CD-CD1 4.46Å; K58-L108 HydrophobicContact CG-CD1 3.8Å; K58-L108 HydrophobicContact CG-CD2 3.69Å; K58-L108 HydrophobicContact CG-CG 4.43Å; L61-L108 HydrophobicContact CD2-CD2 4.21Å; C104-L108 WeakPolarHBondContact O-CB 3.33Å; C104-L108 PolarHBondContact O-N 2.86Å; N105-L108 CarbonylContact O-C 3.53Å; N105-L108 WeakPolarHBondContact O-CB 3.39Å; N105-L108 PolarHBondContact O-N 3.27Å; D106-L108 VanDerWaalsContact C-N 3.32Å; D106-L108 PolarHBondContact O-N 3.49Å; L108-L111 PolarHBondContact O-N 3.23Å; L108-I112 HydrophobicContact CD1-CD1 3.91Å; L108-I112 HydrophobicContact CD1-CG1 4.23Å; L108-I112 HydrophobicContact CG-CD1 3.91Å; L108-I112 VanDerWaalsContact O-CG1 3.27Å; L108-I112 WeakPolarHBondContact O-CG1 3.43Å; L108-I112 PolarHBondContact O-N 3.35Å |
| 109 | N | 86.3 | Confident | 82.8 | Confident | 85 Ų | 85 | 68.7 Ų | 68.7 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.6 | -50 | 176.6 | -70.8 | -9.2 | 0 | 0 | 0 | 110.9 | N105 D106 L111 I112 E113 | N105-N109 VanDerWaalsContact O-CG 3.26Å; N105-N109 PolarHBondContact O-N 2.76Å; N105-N109 PolarHBondContact O-OD1 3.46Å; D106-N109 PolarHBondContact O-N 3.32Å; N109-L111 PolarHBondContact O-N 3.12Å; N109-I112 WeakPolarHBondContact O-CA 3.42Å; N109-I112 WeakPolarHBondContact O-CB 3.38Å; N109-I112 PolarHBondContact O-N 2.99Å; N109-E113 PolarHBondContact O-N 2.96Å |
| 110 | K | 85.5 | Confident | 82.1 | Confident | 143 Ų | 143 | 70.7 Ų | 70.7 | 62% | 0.622 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.9 | -31.3 | 177.3 | -159.2 | 161.5 | -168.9 | 162.7 | 0 | 112.8 | D106 L114 | D106-K110 WeakPolarHBondContact O-CB 3.33Å; D106-K110 PolarHBondContact O-N 3.46Å; K110-L114 WeakPolarHBondContact O-CB 3.49Å; K110-L114 WeakPolarHBondContact O-CD1 3.42Å; K110-L114 VanDerWaalsContact O-CG 3.26Å; K110-L114 WeakPolarHBondContact O-CG 3.07Å; K110-L114 PolarHBondContact O-N 2.87Å |
| 111 | L | 84 | Confident | 81.5 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -74.8 | -33 | 171.6 | -73 | 166.1 | 0 | 0 | 0 | 113.3 | L50 K53 I54 E57 M107 L108 N109 H115 | L50-L111 HydrophobicContact CD2-CD2 3.7Å; K53-L111 HydrophobicContact CB-CD1 3.69Å; K53-L111 HydrophobicContact CB-CD2 3.79Å; K53-L111 HydrophobicContact CB-CG 4.38Å; K53-L111 HydrophobicContact CD-CD2 3.73Å; K53-L111 HydrophobicContact CG-CD2 4.41Å; I54-L111 HydrophobicContact CD1-CB 4.49Å; I54-L111 HydrophobicContact CG1-CB 3.69Å; E57-L111 HydrophobicContact CG-CD1 3.84Å; M107-L111 HydrophobicContact CG-CD1 4.22Å; M107-L111 VanDerWaalsContact O-CB 3.28Å; M107-L111 WeakPolarHBondContact O-CB 3.3Å; M107-L111 VanDerWaalsContact O-CD1 3.26Å; M107-L111 WeakPolarHBondContact O-CD1 3.37Å; M107-L111 WeakPolarHBondContact O-CG 3.17Å; M107-L111 PolarHBondContact O-N 3.19Å; L108-L111 PolarHBondContact O-N 3.23Å; N109-L111 PolarHBondContact O-N 3.12Å; L111-H115 WeakPolarHBondContact O-CB 3.48Å; L111-H115 PolarHBondContact O-N 3.14Å |
| 112 | I | 84 | Confident | 80.4 | Confident | 65 Ų | 65 | 66.4 Ų | 66.4 | 33% | 0.333 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68 | -45 | 173.8 | -73.3 | 164.1 | 0 | 0 | 0 | 110 | I54 L108 N109 H115 T116 | I54-I112 HydrophobicContact CD1-CG1 4.05Å; I54-I112 HydrophobicContact CG1-CG1 4.27Å; L108-I112 HydrophobicContact CD1-CD1 3.91Å; L108-I112 HydrophobicContact CD1-CG1 4.23Å; L108-I112 HydrophobicContact CG-CD1 3.91Å; L108-I112 VanDerWaalsContact O-CG1 3.27Å; L108-I112 WeakPolarHBondContact O-CG1 3.43Å; L108-I112 PolarHBondContact O-N 3.35Å; N109-I112 WeakPolarHBondContact O-CA 3.42Å; N109-I112 WeakPolarHBondContact O-CB 3.38Å; N109-I112 PolarHBondContact O-N 2.99Å; I112-H115 CarbonylContact O-C 3.45Å; I112-H115 WeakPolarHBondContact O-CA 3.38Å; I112-H115 WeakPolarHBondContact O-CB 3.3Å; I112-H115 PolarHBondContact O-N 3.47Å; I112-H115 VanDerWaalsContact O-N 3.13Å; I112-T116 PolarHBondContact O-N 3Å; I112-T116 PolarHBondContact O-OG1 3.46Å; I112-T116 VanDerWaalsContact O-OG1 3.05Å |
| 113 | E | 80.3 | Confident | 79.6 | Confident | 109 Ų | 109 | 66 Ų | 66 | 51% | 0.509 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.7 | -52.3 | 174.9 | -178.9 | 177.5 | -134.5 | 0 | 0 | 112 | N109 H115 T116 Q117 | N109-E113 PolarHBondContact O-N 2.96Å; E113-H115 VanDerWaalsContact C-N 3.28Å; E113-H115 PolarHBondContact O-N 3.37Å; E113-T116 WeakPolarHBondContact O-CB 3.15Å; E113-T116 PolarHBondContact O-N 3.34Å; E113-Q117 PolarHBondContact O-N 2.7Å |
| 114 | L | 80.2 | Confident | 78.7 | Confident | 79 Ų | 79 | 65.4 Ų | 65.4 | 41% | 0.414 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.5 | -35.6 | 173.5 | -72.8 | 169.1 | 0 | 0 | 0 | 112.7 | L50 K110 A118 | L50-L114 HydrophobicContact CD1-CB 4.2Å; L50-L114 HydrophobicContact CD2-CB 3.81Å; L50-L114 HydrophobicContact CD2-CD1 4.35Å; K110-L114 WeakPolarHBondContact O-CB 3.49Å; K110-L114 WeakPolarHBondContact O-CD1 3.42Å; K110-L114 VanDerWaalsContact O-CG 3.26Å; K110-L114 WeakPolarHBondContact O-CG 3.07Å; K110-L114 PolarHBondContact O-N 2.87Å; L114-A118 VanDerWaalsContact O-CB 3.31Å; L114-A118 WeakPolarHBondContact O-CB 3.45Å; L114-A118 PolarHBondContact O-N 3.39Å |
| 115 | H | 83.8 | Confident | 77.9 | Confident | 40 Ų | 40 | 65.6 Ų | 65.6 | 19% | 0.185 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 172.2 | 172.2 | -40.1 | 0 | 0 | 0 | 110.9 | L50 K51 I54 L111 I112 E113 Q117 A118 S119 | L50-H115 HydrophobicContact CB-CB 4.41Å; K51-H115 WeakPolarHBondContact CE-NE2 3.4Å; K51-H115 VanDerWaalsContact CG-CD2 3.46Å; K51-H115 WeakPolarHBondContact CG-CD2 3.35Å; K51-H115 WeakPolarHBondContact CG-NE2 3.37Å; I54-H115 HydrophobicContact CD1-CB 3.78Å; L111-H115 WeakPolarHBondContact O-CB 3.48Å; L111-H115 PolarHBondContact O-N 3.14Å; I112-H115 CarbonylContact O-C 3.45Å; I112-H115 WeakPolarHBondContact O-CA 3.38Å; I112-H115 WeakPolarHBondContact O-CB 3.3Å; I112-H115 PolarHBondContact O-N 3.47Å; I112-H115 VanDerWaalsContact O-N 3.13Å; E113-H115 VanDerWaalsContact C-N 3.28Å; E113-H115 PolarHBondContact O-N 3.37Å; H115-Q117 VanDerWaalsContact C-N 3.35Å; H115-A118 CarbonylContact O-C 3.53Å; H115-A118 PolarHBondContact O-N 2.66Å; H115-S119 VanDerWaalsContact O-CB 3.25Å; H115-S119 WeakPolarHBondContact O-CB 3.38Å; H115-S119 PolarHBondContact O-N 2.99Å |
| 116 | T | 78.6 | Confident | 77.2 | Confident | 95 Ų | 95 | 66.4 Ų | 66.4 | 58% | 0.583 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.5 | -46.7 | 179.9 | -58.2 | 0 | 0 | 0 | 0 | 110.4 | I112 E113 S119 | I112-T116 PolarHBondContact O-N 3Å; I112-T116 PolarHBondContact O-OG1 3.46Å; I112-T116 VanDerWaalsContact O-OG1 3.05Å; E113-T116 WeakPolarHBondContact O-CB 3.15Å; E113-T116 PolarHBondContact O-N 3.34Å; T116-S119 WeakPolarHBondContact O-CB 3.34Å; T116-S119 PolarHBondContact O-N 3.34Å; T116-S119 VanDerWaalsContact O-N 3.13Å |
| 117 | Q | 75.2 | Confident | 76.5 | Confident | 123 Ų | 123 | 68.3 Ų | 68.3 | 58% | 0.575 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -57.2 | -51 | 172.8 | -67.5 | 174.5 | -5.7 | 0 | 0 | 112 | E113 H115 S119 C120 | E113-Q117 PolarHBondContact O-N 2.7Å; H115-Q117 VanDerWaalsContact C-N 3.35Å; Q117-S119 PolarHBondContact O-N 2.86Å; Q117-C120 PolarHBondContact O-SG 3.17Å |
| 118 | A | 72.8 | Confident | 75.5 | Confident | 20 Ų | 20 | 67 Ų | 67 | 17% | 0.165 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.2 | -20.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | L47 L50 L114 H115 C120 V121 | L47-A118 HydrophobicContact CB-CB 4.36Å; L47-A118 HydrophobicContact CG-CB 4.19Å; L50-A118 HydrophobicContact CD1-CB 4.05Å; L114-A118 VanDerWaalsContact O-CB 3.31Å; L114-A118 WeakPolarHBondContact O-CB 3.45Å; L114-A118 PolarHBondContact O-N 3.39Å; H115-A118 CarbonylContact O-C 3.53Å; H115-A118 PolarHBondContact O-N 2.66Å; A118-C120 PolarHBondContact O-N 3.3Å; A118-V121 PolarHBondContact O-N 3.4Å |
| 119 | S | 71.8 | Confident | 74.6 | Confident | 39 Ų | 39 | 67.5 Ų | 67.5 | 27% | 0.273 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -71.6 | -13.9 | -175.1 | -165.8 | 0 | 0 | 0 | 0 | 113.9 | H115 T116 Q117 V121 L122 | H115-S119 VanDerWaalsContact O-CB 3.25Å; H115-S119 WeakPolarHBondContact O-CB 3.38Å; H115-S119 PolarHBondContact O-N 2.99Å; T116-S119 WeakPolarHBondContact O-CB 3.34Å; T116-S119 PolarHBondContact O-N 3.34Å; T116-S119 VanDerWaalsContact O-N 3.13Å; Q117-S119 PolarHBondContact O-N 2.86Å; S119-V121 PolarHBondContact O-N 3.18Å; S119-L122 WeakPolarHBondContact O-CB 3.31Å; S119-L122 PolarHBondContact O-N 3.49Å |
| 120 | C | 70.3 | Confident | 73.7 | Confident | 84 Ų | 84 | 68.4 Ų | 68.4 | 57% | 0.568 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -57 | -38.1 | 172.5 | 66.6 | 0 | 0 | 0 | 0 | 111.4 | Q117 A118 L122 S123 | Q117-C120 PolarHBondContact O-SG 3.17Å; A118-C120 PolarHBondContact O-N 3.3Å; C120-L122 PolarHBondContact O-N 2.85Å; C120-S123 PolarHBondContact O-N 3.34Å; C120-S123 PolarHBondContact O-OG 2.79Å |
| 121 | V | 71.7 | Confident | 73 | Confident | 12 Ų | 12 | 66 Ų | 66 | 7% | 0.073 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -59.4 | -17.9 | -177.6 | -176.8 | 0 | 0 | 0 | 0 | 113 | R43 L44 A118 S119 S123 N124 | R43-V121 HydrophobicContact CB-CG1 4.11Å; R43-V121 HydrophobicContact CB-CG2 4Å; R43-V121 HydrophobicContact CG-CG2 4.36Å; L44-V121 HydrophobicContact CD2-CG1 4.15Å; L44-V121 HydrophobicContact CG-CG1 4.31Å; A118-V121 PolarHBondContact O-N 3.4Å; S119-V121 PolarHBondContact O-N 3.18Å; V121-S123 VanDerWaalsContact C-N 3.34Å; V121-N124 PolarHBondContact O-N 2.91Å |
| 122 | L | 65.4 | Low | 72.2 | Confident | 10 Ų | 10 | 65.8 Ų | 65.8 | 5% | 0.052 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -70 | -24.5 | 173.7 | -59.4 | -179 | 0 | 0 | 0 | 113.6 | L44 L47 S119 C120 N124 L125 R130 F133 M134 | L44-L122 HydrophobicContact CD2-CD2 4.02Å; L47-L122 HydrophobicContact CD1-CD1 4.18Å; L47-L122 HydrophobicContact CD1-CD2 3.91Å; L47-L122 HydrophobicContact CD1-CG 3.87Å; S119-L122 WeakPolarHBondContact O-CB 3.31Å; S119-L122 PolarHBondContact O-N 3.49Å; C120-L122 PolarHBondContact O-N 2.85Å; L122-N124 VanDerWaalsContact C-N 3.26Å; L122-N124 PolarHBondContact O-N 2.84Å; L122-L125 HydrophobicContact CD2-CD1 4.13Å; L122-L125 PolarHBondContact O-N 3.08Å; L122-R130 HydrophobicContact CB-CG 4.17Å; L122-R130 WeakPolarHBondContact O-CD 3.28Å; L122-R130 PolarHBondContact O-NE 3.11Å; L122-F133 HydrophobicContact CD2-CD1 3.54Å; L122-F133 HydrophobicContact CD2-CE1 3.83Å; L122-M134 HydrophobicContact CD1-SD 4.44Å |
| 123 | S | 68.3 | Low | 71.9 | Confident | 70 Ų | 70 | 62.7 Ų | 62.7 | 49% | 0.49 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -37.7 | 175.2 | 56 | 0 | 0 | 0 | 0 | 111.8 | C120 V121 L125 | C120-S123 PolarHBondContact O-N 3.34Å; C120-S123 PolarHBondContact O-OG 2.79Å; V121-S123 VanDerWaalsContact C-N 3.34Å; S123-L125 PolarHBondContact O-N 3.27Å; S123-L125 VanDerWaalsContact O-N 3.12Å |
| 124 | N | 67.3 | Low | 71.8 | Confident | 123 Ų | 123 | 61.4 Ų | 61.4 | 66% | 0.658 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 7.5 | -175.3 | -56.4 | 7.4 | 0 | 0 | 0 | 112.1 | V121 L122 | V121-N124 PolarHBondContact O-N 2.91Å; L122-N124 VanDerWaalsContact C-N 3.26Å; L122-N124 PolarHBondContact O-N 2.84Å |
| 125 | L | 64.7 | Low | 71.3 | Confident | 11 Ų | 11 | 62.1 Ų | 62.1 | 6% | 0.058 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -103.9 | 126.9 | 171.9 | -61.5 | -173.5 | 0 | 0 | 0 | 110.4 | L36 L44 L122 S123 C129 R130 F133 | L36-L125 HydrophobicContact CD1-CD2 3.5Å; L36-L125 HydrophobicContact CD2-CD2 3.86Å; L36-L125 HydrophobicContact CG-CD2 4.33Å; L44-L125 HydrophobicContact CD1-CD1 4.08Å; L44-L125 HydrophobicContact CD1-CD2 4.19Å; L44-L125 HydrophobicContact CD2-CD1 3.95Å; L122-L125 HydrophobicContact CD2-CD1 4.13Å; L122-L125 PolarHBondContact O-N 3.08Å; S123-L125 PolarHBondContact O-N 3.27Å; S123-L125 VanDerWaalsContact O-N 3.12Å; L125-C129 HydrophobicContact CB-CB 4.06Å; L125-C129 HydrophobicContact CD2-CB 4.38Å; L125-R130 HydrophobicContact CB-CB 4.05Å; L125-R130 HydrophobicContact CB-CG 4.38Å; L125-F133 HydrophobicContact CD1-CB 4.43Å |
| 126 | S | 74.3 | Confident | 70.9 | Confident | 78 Ų | 78 | 61.3 Ų | 61.3 | 55% | 0.545 | 34% | 0.339 | S | S | . | . | trans | -50.9 | 147 | 165.4 | 66.3 | 0 | 0 | 0 | 0 | 110.7 | L128 C129 R130 | S126-L128 PolarHBondContact O-N 3.1Å; S126-C129 WeakPolarHBondContact O-CA 3.48Å; S126-C129 WeakPolarHBondContact O-CB 3.41Å; S126-C129 PolarHBondContact O-N 3.15Å; S126-R130 PolarHBondContact O-N 3.16Å | ||
| 127 | L | 70.7 | Confident | 70.7 | Confident | 132 Ų | 132 | 56.9 Ų | 56.9 | 69% | 0.691 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -48.4 | -41.8 | -172.2 | -175.2 | 62.6 | 0 | 0 | 0 | 112.8 | R130 I131 | L127-R130 PolarHBondContact O-N 3.48Å; L127-I131 HydrophobicContact CD1-CD1 4.14Å; L127-I131 HydrophobicContact CG-CD1 3.96Å; L127-I131 WeakPolarHBondContact O-CB 3.18Å; L127-I131 VanDerWaalsContact O-CG1 3.27Å; L127-I131 WeakPolarHBondContact O-CG1 3.42Å; L127-I131 PolarHBondContact O-N 2.85Å |
| 128 | L | 64.8 | Low | 70.7 | Confident | 65 Ų | 65 | 54.7 Ų | 54.7 | 34% | 0.34 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 175.5 | -175.2 | 66.7 | 0 | 0 | 0 | 113.4 | L16 S126 K132 | L16-L128 HydrophobicContact CD2-CD2 3.66Å; S126-L128 PolarHBondContact O-N 3.1Å; L128-K132 HydrophobicContact CD1-CD 4.46Å; L128-K132 HydrophobicContact CG-CD 4.21Å; L128-K132 WeakPolarHBondContact O-CB 3.48Å; L128-K132 WeakPolarHBondContact O-CD 3.36Å; L128-K132 WeakPolarHBondContact O-CG 3.43Å; L128-K132 PolarHBondContact O-N 2.84Å |
| 129 | C | 65.5 | Low | 70.5 | Confident | 19 Ų | 19 | 57.5 Ų | 57.5 | 13% | 0.128 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 176 | -77.8 | 0 | 0 | 0 | 0 | 111.7 | L32 L125 S126 K132 F133 | L32-C129 HydrophobicContact CD2-CB 3.72Å; L125-C129 HydrophobicContact CB-CB 4.06Å; L125-C129 HydrophobicContact CD2-CB 4.38Å; S126-C129 WeakPolarHBondContact O-CA 3.48Å; S126-C129 WeakPolarHBondContact O-CB 3.41Å; S126-C129 PolarHBondContact O-N 3.15Å; C129-K132 PolarHBondContact O-N 2.94Å; C129-F133 WeakPolarHBondContact O-CB 3.37Å; C129-F133 PolarHBondContact O-N 3.04Å |
| 130 | R | 69.2 | Low | 70.7 | Confident | 104 Ų | 104 | 57.7 Ų | 57.7 | 39% | 0.392 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.1 | -48.6 | 177.4 | -150.7 | 172.7 | -178.4 | 162.8 | 3.6 | 111 | L122 L125 S126 L127 F133 M134 | L122-R130 HydrophobicContact CB-CG 4.17Å; L122-R130 WeakPolarHBondContact O-CD 3.28Å; L122-R130 PolarHBondContact O-NE 3.11Å; L125-R130 HydrophobicContact CB-CB 4.05Å; L125-R130 HydrophobicContact CB-CG 4.38Å; S126-R130 PolarHBondContact O-N 3.16Å; L127-R130 PolarHBondContact O-N 3.48Å; R130-F133 PolarHBondContact O-N 3.02Å; R130-M134 VanDerWaalsContact O-CG 3.28Å; R130-M134 WeakPolarHBondContact O-CG 3.29Å; R130-M134 PolarHBondContact O-N 3.21Å |
| 131 | I | 69.2 | Low | 71.2 | Confident | 92 Ų | 92 | 55.4 Ų | 55.4 | 47% | 0.472 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 174.9 | -68.5 | 165.8 | 0 | 0 | 0 | 111.6 | L127 F133 M134 N135 | L127-I131 HydrophobicContact CD1-CD1 4.14Å; L127-I131 HydrophobicContact CG-CD1 3.96Å; L127-I131 WeakPolarHBondContact O-CB 3.18Å; L127-I131 VanDerWaalsContact O-CG1 3.27Å; L127-I131 WeakPolarHBondContact O-CG1 3.42Å; L127-I131 PolarHBondContact O-N 2.85Å; I131-F133 VanDerWaalsContact C-N 3.34Å; I131-F133 PolarHBondContact O-N 3.35Å; I131-M134 PolarHBondContact O-N 3.03Å; I131-N135 PolarHBondContact O-N 3.08Å; I131-N135 PolarHBondContact O-ND2 2.96Å |
| 132 | K | 67.7 | Low | 71.4 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 5% | 0.048 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.5 | -43.8 | 177.5 | -79.5 | 171.4 | 176.1 | -177.8 | 0 | 112 | L19 I23 C28 F31 L128 C129 N135 F136 | L19-K132 WeakPolarHBondContact O-CE 3.48Å; L19-K132 PolarHBondContact O-NZ 2.96Å; I23-K132 HydrophobicContact CD1-CD 4.17Å; C28-K132 HydrophobicContact CB-CB 4.16Å; C28-K132 WeakPolarHBondContact CB-O 3.45Å; C28-K132 PolarHBondContact SG-O 3.45Å; C28-K132 VanDerWaalsContact SG-O 3.34Å; F31-K132 HydrophobicContact CE1-CD 4.29Å; L128-K132 HydrophobicContact CD1-CD 4.46Å; L128-K132 HydrophobicContact CG-CD 4.21Å; L128-K132 WeakPolarHBondContact O-CB 3.48Å; L128-K132 WeakPolarHBondContact O-CD 3.36Å; L128-K132 WeakPolarHBondContact O-CG 3.43Å; L128-K132 PolarHBondContact O-N 2.84Å; C129-K132 PolarHBondContact O-N 2.94Å; K132-N135 PolarHBondContact O-N 2.96Å; K132-F136 PolarHBondContact O-N 3.23Å; K132-F136 VanDerWaalsContact O-N 3.14Å |
| 133 | F | 77.6 | Confident | 71.8 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 177.4 | -178.7 | -110.3 | 0 | 0 | 0 | 113 | F29 L32 L44 L47 A48 L122 L125 C129 R130 I131 N135 F136 C137 | F29-F133 HydrophobicContact CD2-CD2 4.11Å; F29-F133 AromaticContact CD2-CE2 3.9Å; F29-F133 HydrophobicContact CD2-CE2 3.9Å; F29-F133 HydrophobicContact CE2-CD2 4.28Å; F29-F133 AromaticContact CE2-CE2 3.78Å; F29-F133 HydrophobicContact CE2-CE2 3.78Å; L32-F133 HydrophobicContact CD1-CB 3.74Å; L32-F133 HydrophobicContact CD1-CD2 3.91Å; L32-F133 HydrophobicContact CD1-CG 4.25Å; L44-F133 HydrophobicContact CB-CD2 4.42Å; L44-F133 HydrophobicContact CB-CE2 3.93Å; L44-F133 HydrophobicContact CB-CZ 4.18Å; L44-F133 HydrophobicContact CD2-CD1 4.09Å; L44-F133 HydrophobicContact CD2-CD2 4.42Å; L44-F133 HydrophobicContact CD2-CE1 3.96Å; L44-F133 HydrophobicContact CD2-CE2 4.31Å; L44-F133 HydrophobicContact CD2-CG 4.31Å; L44-F133 HydrophobicContact CD2-CZ 4.07Å; L44-F133 WeakPolarHBondContact O-CE2 3.16Å; L44-F133 WeakPolarHBondContact O-CZ 3.41Å; L47-F133 HydrophobicContact CB-CE1 4.36Å; L47-F133 HydrophobicContact CB-CZ 4.14Å; L47-F133 HydrophobicContact CD1-CE1 4.02Å; L47-F133 HydrophobicContact CD2-CE1 4.06Å; L47-F133 HydrophobicContact CD2-CZ 4.43Å; L47-F133 HydrophobicContact CG-CE1 4.37Å; A48-F133 HydrophobicContact CB-CE2 4.03Å; A48-F133 HydrophobicContact CB-CZ 4Å; L122-F133 HydrophobicContact CD2-CD1 3.54Å; L122-F133 HydrophobicContact CD2-CE1 3.83Å; L125-F133 HydrophobicContact CD1-CB 4.43Å; C129-F133 WeakPolarHBondContact O-CB 3.37Å; C129-F133 PolarHBondContact O-N 3.04Å; R130-F133 PolarHBondContact O-N 3.02Å; I131-F133 VanDerWaalsContact C-N 3.34Å; I131-F133 PolarHBondContact O-N 3.35Å; F133-N135 VanDerWaalsContact C-N 3.35Å; F133-N135 PolarHBondContact O-N 2.9Å; F133-F136 HydrophobicContact CD2-CD1 4.14Å; F133-F136 HydrophobicContact CE2-CD1 4.04Å; F133-F136 HydrophobicContact CE2-CE1 4.41Å; F133-F136 WeakPolarHBondContact O-CB 3.18Å; F133-F136 PolarHBondContact O-N 3.24Å; F133-C137 WeakPolarHBondContact CE1-SG 3.39Å; F133-C137 WeakPolarHBondContact CZ-SG 3.42Å; F133-C137 PolarHBondContact O-N 3.41Å; F133-C137 PolarHBondContact O-SG 2.7Å |
| 134 | M | 78 | Confident | 72.1 | Confident | 83 Ų | 83 | 62.6 Ų | 62.6 | 41% | 0.409 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 176.8 | -69.4 | -69.3 | -83.5 | 0 | 0 | 111.9 | K51 L122 R130 I131 F136 C137 S138 | K51-M134 PolarHBondContact NZ-SD 2.62Å; L122-M134 HydrophobicContact CD1-SD 4.44Å; R130-M134 VanDerWaalsContact O-CG 3.28Å; R130-M134 WeakPolarHBondContact O-CG 3.29Å; R130-M134 PolarHBondContact O-N 3.21Å; I131-M134 PolarHBondContact O-N 3.03Å; M134-F136 PolarHBondContact O-N 2.85Å; M134-C137 WeakPolarHBondContact O-CB 3.4Å; M134-C137 PolarHBondContact O-N 3.07Å; M134-S138 PolarHBondContact O-N 3.22Å; M134-S138 PolarHBondContact O-OG 3.4Å |
| 135 | N | 71.1 | Confident | 72.8 | Confident | 94 Ų | 94 | 59.2 Ų | 59.2 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.2 | -35.6 | 176.1 | -74.4 | -27.7 | 0 | 0 | 0 | 113.2 | I131 K132 F133 T139 | I131-N135 PolarHBondContact O-N 3.08Å; I131-N135 PolarHBondContact O-ND2 2.96Å; K132-N135 PolarHBondContact O-N 2.96Å; F133-N135 VanDerWaalsContact C-N 3.35Å; F133-N135 PolarHBondContact O-N 2.9Å; N135-T139 PolarHBondContact O-N 3.47Å; N135-T139 PolarHBondContact O-OG1 2.85Å |
| 136 | F | 74.2 | Confident | 73.2 | Confident | 22 Ų | 22 | 64.3 Ų | 64.3 | 10% | 0.096 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61 | -52.3 | 169.9 | 165.8 | -115.7 | 0 | 0 | 0 | 111.5 | G25 C28 F29 A48 K132 F133 M134 S138 T139 V140 | G25-F136 WeakPolarHBondContact O-CB 3.31Å; G25-F136 WeakPolarHBondContact O-CD2 3.41Å; C28-F136 HydrophobicContact CB-CB 4.02Å; F29-F136 HydrophobicContact CB-CD1 3.98Å; F29-F136 HydrophobicContact CB-CD2 4.27Å; F29-F136 HydrophobicContact CB-CE1 3.7Å; F29-F136 HydrophobicContact CB-CE2 4Å; F29-F136 HydrophobicContact CB-CG 4.25Å; F29-F136 HydrophobicContact CB-CZ 3.7Å; F29-F136 AromaticContact CD2-CD1 3.72Å; F29-F136 HydrophobicContact CD2-CD1 3.72Å; F29-F136 AromaticContact CD2-CE1 3.33Å; F29-F136 HydrophobicContact CD2-CE1 3.33Å; F29-F136 HydrophobicContact CD2-CZ 4.08Å; F29-F136 HydrophobicContact CE2-CE1 4.21Å; F29-F136 HydrophobicContact CG-CD1 4.2Å; F29-F136 AromaticContact CG-CE1 3.63Å; F29-F136 HydrophobicContact CG-CE1 3.63Å; F29-F136 AromaticContact CG-CZ 3.89Å; F29-F136 HydrophobicContact CG-CZ 3.89Å; A48-F136 HydrophobicContact CB-CD1 4.31Å; A48-F136 HydrophobicContact CB-CE1 3.67Å; K132-F136 PolarHBondContact O-N 3.23Å; K132-F136 VanDerWaalsContact O-N 3.14Å; F133-F136 HydrophobicContact CD2-CD1 4.14Å; F133-F136 HydrophobicContact CE2-CD1 4.04Å; F133-F136 HydrophobicContact CE2-CE1 4.41Å; F133-F136 WeakPolarHBondContact O-CB 3.18Å; F133-F136 PolarHBondContact O-N 3.24Å; M134-F136 PolarHBondContact O-N 2.85Å; F136-S138 PolarHBondContact O-N 3.11Å; F136-T139 WeakPolarHBondContact O-CA 3.41Å; F136-T139 WeakPolarHBondContact O-CB 3.41Å; F136-T139 PolarHBondContact O-N 3.15Å; F136-V140 HydrophobicContact CD2-CG2 3.8Å; F136-V140 HydrophobicContact CE2-CG2 3.38Å; F136-V140 HydrophobicContact CZ-CG2 3.81Å; F136-V140 PolarHBondContact O-N 3.07Å; F136-V140 VanDerWaalsContact O-N 3.12Å |
| 137 | C | 75.8 | Confident | 73 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.014 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -53.6 | -51.1 | -179.7 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | K51 F133 M134 T139 V140 V141 | K51-C137 HydrophobicContact CD-CB 3.58Å; F133-C137 WeakPolarHBondContact CE1-SG 3.39Å; F133-C137 WeakPolarHBondContact CZ-SG 3.42Å; F133-C137 PolarHBondContact O-N 3.41Å; F133-C137 PolarHBondContact O-SG 2.7Å; M134-C137 WeakPolarHBondContact O-CB 3.4Å; M134-C137 PolarHBondContact O-N 3.07Å; C137-T139 PolarHBondContact O-N 3.02Å; C137-V140 PolarHBondContact O-N 3.27Å; C137-V140 VanDerWaalsContact O-N 3.16Å; C137-V141 VanDerWaalsContact O-CB 3.3Å; C137-V141 WeakPolarHBondContact O-CB 3.45Å; C137-V141 VanDerWaalsContact O-CG2 3.25Å; C137-V141 WeakPolarHBondContact O-CG2 3.38Å; C137-V141 PolarHBondContact O-N 3.36Å |
| 138 | S | 74.3 | Confident | 73.4 | Confident | 77 Ų | 77 | 58.4 Ų | 58.4 | 54% | 0.538 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.9 | -35.3 | 177.9 | -59.3 | 0 | 0 | 0 | 0 | 112.9 | M134 F136 A142 | M134-S138 PolarHBondContact O-N 3.22Å; M134-S138 PolarHBondContact O-OG 3.4Å; F136-S138 PolarHBondContact O-N 3.11Å; S138-A142 WeakPolarHBondContact O-CB 3.45Å; S138-A142 PolarHBondContact O-N 3.18Å; S138-A142 VanDerWaalsContact O-N 3.14Å |
| 139 | T | 68.8 | Low | 74 | Confident | 80 Ų | 80 | 61.3 Ų | 61.3 | 49% | 0.491 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.9 | -44.5 | 178.4 | -54.3 | 0 | 0 | 0 | 0 | 112.1 | N135 F136 C137 K143 | N135-T139 PolarHBondContact O-N 3.47Å; N135-T139 PolarHBondContact O-OG1 2.85Å; F136-T139 WeakPolarHBondContact O-CA 3.41Å; F136-T139 WeakPolarHBondContact O-CB 3.41Å; F136-T139 PolarHBondContact O-N 3.15Å; C137-T139 PolarHBondContact O-N 3.02Å; T139-K143 PolarHBondContact O-N 3.22Å |
| 140 | V | 76 | Confident | 74 | Confident | 42 Ų | 42 | 65.7 Ų | 65.7 | 26% | 0.255 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -75 | -35.8 | -179.8 | -165 | 0 | 0 | 0 | 0 | 111.4 | C52 F136 C137 A142 K143 T144 | C52-V140 WeakPolarHBondContact SG-CG1 3.35Å; F136-V140 HydrophobicContact CD2-CG2 3.8Å; F136-V140 HydrophobicContact CE2-CG2 3.38Å; F136-V140 HydrophobicContact CZ-CG2 3.81Å; F136-V140 PolarHBondContact O-N 3.07Å; F136-V140 VanDerWaalsContact O-N 3.12Å; C137-V140 PolarHBondContact O-N 3.27Å; C137-V140 VanDerWaalsContact O-N 3.16Å; V140-A142 PolarHBondContact O-N 2.99Å; V140-K143 PolarHBondContact O-N 3.46Å; V140-T144 WeakPolarHBondContact O-CB 3.45Å; V140-T144 PolarHBondContact O-N 3.18Å; V140-T144 PolarHBondContact O-OG1 2.85Å |
| 141 | V | 80.9 | Confident | 74.1 | Confident | 36 Ų | 36 | 68.1 Ų | 68.1 | 22% | 0.218 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -53.4 | -51.1 | 169.9 | 158.5 | 0 | 0 | 0 | 0 | 111.1 | K51 A55 C137 K143 T144 N145 | K51-V141 HydrophobicContact CB-CG2 3.96Å; A55-V141 HydrophobicContact CB-CB 4.16Å; A55-V141 HydrophobicContact CB-CG1 3.74Å; A55-V141 HydrophobicContact CB-CG2 4.01Å; C137-V141 VanDerWaalsContact O-CB 3.3Å; C137-V141 WeakPolarHBondContact O-CB 3.45Å; C137-V141 VanDerWaalsContact O-CG2 3.25Å; C137-V141 WeakPolarHBondContact O-CG2 3.38Å; C137-V141 PolarHBondContact O-N 3.36Å; V141-K143 PolarHBondContact O-N 2.77Å; V141-T144 PolarHBondContact O-N 2.89Å; V141-N145 PolarHBondContact O-N 3.33Å |
| 142 | A | 75.6 | Confident | 74.4 | Confident | 58 Ų | 58 | 64.7 Ų | 64.7 | 48% | 0.479 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | S138 V140 H146 | S138-A142 WeakPolarHBondContact O-CB 3.45Å; S138-A142 PolarHBondContact O-N 3.18Å; S138-A142 VanDerWaalsContact O-N 3.14Å; V140-A142 PolarHBondContact O-N 2.99Å; A142-H146 PolarHBondContact O-N 3.21Å |
| 143 | K | 73.5 | Confident | 74.5 | Confident | 153 Ų | 153 | 66.7 Ų | 66.7 | 67% | 0.665 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.2 | -41.2 | 176.4 | -169.5 | -178.6 | -179.7 | -174.3 | 0 | 111.9 | T139 V140 V141 T147 | T139-K143 PolarHBondContact O-N 3.22Å; V140-K143 PolarHBondContact O-N 3.46Å; V141-K143 PolarHBondContact O-N 2.77Å; K143-T147 WeakPolarHBondContact O-CB 3.35Å; K143-T147 PolarHBondContact O-N 3.28Å; K143-T147 VanDerWaalsContact O-N 3.14Å; K143-T147 PolarHBondContact O-OG1 3.26Å |
| 144 | T | 75.3 | Confident | 73.9 | Confident | 33 Ų | 33 | 75.1 Ų | 75.1 | 20% | 0.202 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64 | -49.1 | 176.9 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | C52 V140 V141 H146 T147 T148 | C52-T144 WeakPolarHBondContact O-CG2 3.44Å; V140-T144 WeakPolarHBondContact O-CB 3.45Å; V140-T144 PolarHBondContact O-N 3.18Å; V140-T144 PolarHBondContact O-OG1 2.85Å; V141-T144 PolarHBondContact O-N 2.89Å; T144-H146 PolarHBondContact O-N 2.85Å; T144-T147 PolarHBondContact O-N 2.81Å; T144-T147 VanDerWaalsContact O-N 3.08Å; T144-T148 PolarHBondContact O-N 2.9Å; T144-T148 PolarHBondContact O-OG1 3.23Å |
| 145 | N | 81.3 | Confident | 73.5 | Confident | 51 Ų | 51 | 73.2 Ų | 73.2 | 27% | 0.273 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -52.6 | -50.7 | 177.6 | -77.6 | -2.1 | 0 | 0 | 0 | 112.9 | A55 V59 V141 T147 T148 K149 | A55-N145 VanDerWaalsContact CB-OD1 3.26Å; A55-N145 WeakPolarHBondContact CB-OD1 3.38Å; A55-N145 PolarHBondContact O-OD1 3.21Å; V59-N145 HydrophobicContact CG2-CB 3.74Å; V59-N145 VanDerWaalsContact CG2-CG 3.46Å; V59-N145 VanDerWaalsContact CG2-OD1 3.32Å; V59-N145 WeakPolarHBondContact CG2-OD1 3.46Å; V141-N145 PolarHBondContact O-N 3.33Å; N145-T147 VanDerWaalsContact C-N 3.33Å; N145-T147 PolarHBondContact O-N 2.95Å; N145-T148 PolarHBondContact O-N 2.93Å; N145-K149 WeakPolarHBondContact O-CB 3.42Å; N145-K149 PolarHBondContact O-N 2.94Å |
| 146 | H | 72.9 | Confident | 73.2 | Confident | 118 Ų | 118 | 70.2 Ų | 70.2 | 55% | 0.546 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 179.2 | -174.5 | -70.8 | 0 | 0 | 0 | 112.2 | A142 T144 Q150 | A142-H146 PolarHBondContact O-N 3.21Å; T144-H146 PolarHBondContact O-N 2.85Å; H146-Q150 PolarHBondContact CE1-NE2 2.96Å; H146-Q150 WeakPolarHBondContact O-CG 3.27Å; H146-Q150 PolarHBondContact O-N 3.42Å; H146-Q150 VanDerWaalsContact O-N 3.12Å |
| 147 | T | 71.3 | Confident | 72.3 | Confident | 67 Ų | 67 | 71.2 Ų | 71.2 | 41% | 0.411 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.3 | -43.3 | -178.8 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | K143 T144 N145 Q150 K151 | K143-T147 WeakPolarHBondContact O-CB 3.35Å; K143-T147 PolarHBondContact O-N 3.28Å; K143-T147 VanDerWaalsContact O-N 3.14Å; K143-T147 PolarHBondContact O-OG1 3.26Å; T144-T147 PolarHBondContact O-N 2.81Å; T144-T147 VanDerWaalsContact O-N 3.08Å; N145-T147 VanDerWaalsContact C-N 3.33Å; N145-T147 PolarHBondContact O-N 2.95Å; T147-Q150 PolarHBondContact O-N 3.4Å; T147-K151 PolarHBondContact O-N 3.45Å |
| 148 | T | 77.8 | Confident | 71.3 | Confident | 19 Ų | 19 | 78.1 Ų | 78.1 | 12% | 0.117 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 175.5 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | S56 V59 K60 T144 N145 Q150 K151 L152 | S56-T148 PolarHBondContact OG-OG1 3.37Å; V59-T148 HydrophobicContact CB-CG2 4.34Å; V59-T148 HydrophobicContact CG1-CG2 3.91Å; K60-T148 HydrophobicContact CG-CG2 4.03Å; T144-T148 PolarHBondContact O-N 2.9Å; T144-T148 PolarHBondContact O-OG1 3.23Å; N145-T148 PolarHBondContact O-N 2.93Å; T148-Q150 VanDerWaalsContact C-N 3.31Å; T148-Q150 PolarHBondContact O-N 3.44Å; T148-K151 PolarHBondContact O-N 2.92Å; T148-K151 VanDerWaalsContact O-N 3.14Å; T148-L152 HydrophobicContact CG2-CD1 3.71Å; T148-L152 HydrophobicContact CG2-CG 4.3Å; T148-L152 WeakPolarHBondContact O-CB 3.36Å; T148-L152 WeakPolarHBondContact O-CG 3.48Å; T148-L152 PolarHBondContact O-N 3.35Å |
| 149 | K | 77.9 | Confident | 69.7 | Low | 127 Ų | 127 | 79.5 Ų | 79.5 | 55% | 0.552 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.9 | -36.4 | 178.6 | -160.8 | 161.3 | -174.5 | 165.9 | 0 | 112.5 | V59 N145 S153 | V59-K149 HydrophobicContact CG1-CB 3.84Å; V59-K149 HydrophobicContact CG1-CG 4.44Å; N145-K149 WeakPolarHBondContact O-CB 3.42Å; N145-K149 PolarHBondContact O-N 2.94Å; K149-S153 WeakPolarHBondContact O-CB 3.5Å; K149-S153 PolarHBondContact O-N 2.85Å; K149-S153 PolarHBondContact O-OG 3.27Å |
| 150 | Q | 64.8 | Low | 68.4 | Low | 111 Ų | 111 | 82.6 Ų | 82.6 | 52% | 0.519 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -73.5 | -31.9 | 174.3 | -78.9 | -164.7 | -20.9 | 0 | 0 | 114.9 | H146 T147 T148 K154 | H146-Q150 PolarHBondContact CE1-NE2 2.96Å; H146-Q150 WeakPolarHBondContact O-CG 3.27Å; H146-Q150 PolarHBondContact O-N 3.42Å; H146-Q150 VanDerWaalsContact O-N 3.12Å; T147-Q150 PolarHBondContact O-N 3.4Å; T148-Q150 VanDerWaalsContact C-N 3.31Å; T148-Q150 PolarHBondContact O-N 3.44Å; Q150-K154 WeakPolarHBondContact O-CG 3.38Å |
| 151 | K | 71.4 | Confident | 66.5 | Low | 155 Ų | 155 | 88 Ų | 88 | 67% | 0.674 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -68.2 | -44.2 | 172.2 | -79.1 | -172.9 | 175 | -175.8 | 0 | 110.6 | T147 T148 | T147-K151 PolarHBondContact O-N 3.45Å; T148-K151 PolarHBondContact O-N 2.92Å; T148-K151 VanDerWaalsContact O-N 3.14Å |
| 152 | L | 76.6 | Confident | 64.5 | Low | 19 Ų | 19 | 89.6 Ų | 89.6 | 10% | 0.099 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -68 | -47.4 | -177.9 | -68.1 | 172.2 | 0 | 0 | 0 | 112.6 | K60 F63 T148 K154 T155 | K60-L152 HydrophobicContact CB-CD1 4.46Å; K60-L152 HydrophobicContact CG-CD1 3.89Å; F63-L152 HydrophobicContact CB-CD1 3.74Å; F63-L152 HydrophobicContact CD1-CB 3.86Å; F63-L152 HydrophobicContact CD1-CD1 3.8Å; F63-L152 HydrophobicContact CD1-CD2 3.9Å; F63-L152 HydrophobicContact CD1-CG 4.06Å; F63-L152 HydrophobicContact CD2-CB 3.73Å; F63-L152 HydrophobicContact CD2-CD1 4.41Å; F63-L152 HydrophobicContact CE1-CB 3.82Å; F63-L152 HydrophobicContact CE1-CD1 4.5Å; F63-L152 HydrophobicContact CE1-CD2 3.9Å; F63-L152 HydrophobicContact CE1-CG 4.27Å; F63-L152 HydrophobicContact CE2-CB 3.69Å; F63-L152 HydrophobicContact CG-CB 3.8Å; F63-L152 HydrophobicContact CG-CD1 3.73Å; F63-L152 HydrophobicContact CG-CG 4.24Å; F63-L152 HydrophobicContact CZ-CB 3.74Å; F63-L152 WeakPolarHBondContact CZ-O 3.28Å; T148-L152 HydrophobicContact CG2-CD1 3.71Å; T148-L152 HydrophobicContact CG2-CG 4.3Å; T148-L152 WeakPolarHBondContact O-CB 3.36Å; T148-L152 WeakPolarHBondContact O-CG 3.48Å; T148-L152 PolarHBondContact O-N 3.35Å; L152-K154 VanDerWaalsContact C-N 3.28Å; L152-K154 PolarHBondContact O-N 2.95Å; L152-T155 PolarHBondContact O-N 3.18Å; L152-T155 PolarHBondContact O-OG1 3.26Å |
| 153 | S | 69.1 | Low | 62.7 | Low | 53 Ų | 53 | 93.3 Ų | 93.3 | 37% | 0.371 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.8 | -32.3 | -179.1 | 66 | 0 | 0 | 0 | 0 | 113.8 | K149 T155 L156 | K149-S153 WeakPolarHBondContact O-CB 3.5Å; K149-S153 PolarHBondContact O-N 2.85Å; K149-S153 PolarHBondContact O-OG 3.27Å; S153-T155 PolarHBondContact O-N 2.94Å; S153-L156 PolarHBondContact O-N 3.18Å |
| 154 | K | 64.7 | Low | 61.3 | Low | 178 Ų | 178 | 93.8 Ų | 93.8 | 77% | 0.774 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -15.6 | 172.4 | -76.6 | -177.6 | 175.9 | -175.3 | 0 | 114.4 | Q150 L152 | Q150-K154 WeakPolarHBondContact O-CG 3.38Å; L152-K154 VanDerWaalsContact C-N 3.28Å; L152-K154 PolarHBondContact O-N 2.95Å |
| 155 | T | 71 | Confident | 60.1 | Low | 42 Ų | 42 | 94.4 Ų | 94.4 | 26% | 0.258 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -11.9 | 177.5 | 63.7 | 0 | 0 | 0 | 0 | 113.6 | P74 R75 L152 S153 V157 | P74-T155 CarbonylContact C-O 3.41Å; P74-T155 VanDerWaalsContact CA-O 3.22Å; P74-T155 WeakPolarHBondContact CA-O 3.35Å; P74-T155 VanDerWaalsContact CB-OG1 3.27Å; P74-T155 WeakPolarHBondContact CB-OG1 3.49Å; R75-T155 WeakPolarHBondContact CG-O 3.37Å; R75-T155 PolarHBondContact N-O 3.06Å; L152-T155 PolarHBondContact O-N 3.18Å; L152-T155 PolarHBondContact O-OG1 3.26Å; S153-T155 PolarHBondContact O-N 2.94Å; T155-V157 PolarHBondContact O-N 2.98Å |
| 156 | L | 63.6 | Low | 58.7 | Low | 31 Ų | 31 | 98.1 Ų | 98.1 | 16% | 0.162 | 51% | 0.505 | C | S | . | . | B | Isolated β-bridge | trans | -56.4 | 135 | 177.1 | -66.3 | 171.9 | 0 | 0 | 0 | 111.3 | F63 I72 S153 Y158 | F63-L156 HydrophobicContact CE2-CD1 4.22Å; F63-L156 HydrophobicContact CE2-CD2 3.67Å; F63-L156 HydrophobicContact CE2-CG 3.95Å; F63-L156 HydrophobicContact CZ-CD2 3.54Å; F63-L156 HydrophobicContact CZ-CG 4.02Å; I72-L156 HydrophobicContact CG2-CB 4.14Å; I72-L156 HydrophobicContact CG2-CD2 3.99Å; I72-L156 HydrophobicContact CG2-CG 4.45Å; I72-L156 WeakPolarHBondContact O-CD2 3.31Å; S153-L156 PolarHBondContact O-N 3.18Å; L156-Y158 HydrophobicContact CB-CE2 4.45Å |
| 157 | V | 56 | Low | 57.6 | Low | 43 Ų | 43 | 101.4 Ų | 101.4 | 26% | 0.261 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -95.7 | 118.1 | 160.3 | -176.2 | 0 | 0 | 0 | 0 | 105.8 | I72 F73 R75 Y78 T155 | I72-V157 WeakPolarHBondContact CG2-O 3.29Å; F73-V157 PolarHBondContact O-N 2.94Å; R75-V157 HydrophobicContact CB-CG2 4.32Å; R75-V157 HydrophobicContact CG-CG2 3.37Å; Y78-V157 HydrophobicContact CD2-CG2 3.93Å; Y78-V157 HydrophobicContact CE2-CB 3.86Å; Y78-V157 HydrophobicContact CE2-CG2 3.69Å; T155-V157 PolarHBondContact O-N 2.98Å |
| 158 | Y | 55.1 | Low | 57.3 | Low | 148 Ų | 148 | 102.8 Ų | 102.8 | 58% | 0.58 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -78.7 | 118.5 | 168.9 | -59.4 | -87 | 0 | 0 | 0 | 107.1 | I72 L156 N160 | I72-Y158 HydrophobicContact CD1-CD1 4.33Å; I72-Y158 HydrophobicContact CG2-CD1 4.37Å; L156-Y158 HydrophobicContact CB-CE2 4.45Å; Y158-N160 PolarHBondContact O-N 2.98Å |
| 159 | D | 41.2 | Very low | 56.7 | Low | 106 Ų | 106 | 103.1 Ų | 103.1 | 57% | 0.567 | 53% | 0.525 | S | S | * | . | trans | -74.8 | 85.4 | 170.7 | -99.7 | -7.8 | 0 | 0 | 0 | 108.3 | ||||
| 160 | N | 41.2 | Very low | 56.6 | Low | 144 Ų | 144 | 101.1 Ų | 101.1 | 77% | 0.77 | 52% | 0.52 | S | S | * | . | trans | -110.7 | 107.9 | 163.3 | -82.4 | 67.7 | 0 | 0 | 0 | 106.3 | Y158 | Y158-N160 PolarHBondContact O-N 2.98Š| ||
| 161 | D | 35.4 | Very low | 56.9 | Low | 155 Ų | 155 | 102.4 Ų | 102.4 | 83% | 0.829 | 52% | 0.524 | S | S | * | . | trans | -59.8 | 162.5 | -176.1 | -66.2 | -81.6 | 0 | 0 | 0 | 115.3 | N163 | D161-N163 PolarHBondContact O-N 3.32Š| ||
| 162 | G | 38 | Very low | 57.2 | Low | 70 Ų | 70 | 98.6 Ų | 98.6 | 72% | 0.722 | 51% | 0.506 | S | S | * | . | S | Bend | trans | 94.4 | -87.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | L164 | G162-L164 PolarHBondContact O-N 3.11Š|
| 163 | N | 38.3 | Very low | 57.4 | Low | 136 Ų | 136 | 98 Ų | 98 | 73% | 0.727 | 50% | 0.504 | S | S | * | . | trans | -86.6 | 81.8 | -145.8 | -67.3 | -22.9 | 0 | 0 | 0 | 115.2 | D161 | D161-N163 PolarHBondContact O-N 3.32Š| ||
| 164 | L | 45.1 | Very low | 58.2 | Low | 163 Ų | 163 | 97.4 Ų | 97.4 | 85% | 0.853 | 50% | 0.499 | S | S | * | . | trans | -94.4 | -24 | 169.1 | -99.7 | 166.4 | 0 | 0 | 0 | 114.6 | G162 | G162-L164 PolarHBondContact O-N 3.11Š| ||
| 165 | F | 48.7 | Very low | 59.3 | Low | 46 Ų | 46 | 91.7 Ų | 91.7 | 20% | 0.202 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -81.3 | 144.6 | 175.6 | -74.8 | -85.8 | 0 | 0 | 0 | 111.9 | E187 L254 H258 | F165-E187 HydrophobicContact CB-CG 4.22Å; F165-E187 WeakPolarHBondContact CB-OE1 3.49Å; F165-E187 HydrophobicContact CD1-CB 3.82Å; F165-E187 HydrophobicContact CD1-CG 3.95Å; F165-E187 HydrophobicContact CD2-CB 4.32Å; F165-E187 VanDerWaalsContact CD2-CD 3.49Å; F165-E187 HydrophobicContact CD2-CG 4.07Å; F165-E187 WeakPolarHBondContact CD2-OE1 3.36Å; F165-E187 HydrophobicContact CE1-CB 3.76Å; F165-E187 HydrophobicContact CE1-CG 4.37Å; F165-E187 HydrophobicContact CE2-CB 4.27Å; F165-E187 HydrophobicContact CE2-CG 4.48Å; F165-E187 HydrophobicContact CG-CB 4.12Å; F165-E187 HydrophobicContact CG-CG 3.8Å; F165-E187 WeakPolarHBondContact CG-OE1 3.32Å; F165-E187 HydrophobicContact CZ-CB 4Å; F165-L254 HydrophobicContact CZ-CD2 4.33Å; F165-H258 AromaticContact CE2-CE1 3.58Å; F165-H258 AromaticContact CE2-NE2 3.29Å; F165-H258 VanDerWaalsContact CE2-NE2 3.29Å; F165-H258 WeakPolarHBondContact CE2-NE2 3.44Å; F165-H258 AromaticContact CZ-CD2 3.96Å; F165-H258 AromaticContact CZ-CE1 3.86Å; F165-H258 AromaticContact CZ-NE2 3.24Å; F165-H258 WeakPolarHBondContact CZ-NE2 3.42Å |
| 166 | Q | 51.9 | Low | 60.1 | Low | 129 Ų | 129 | 92.3 Ų | 92.3 | 60% | 0.603 | 48% | 0.478 | S | S | * | . | trans | -79.1 | 131.3 | -177.6 | -171.3 | 161.5 | 97.3 | 0 | 0 | 109.8 | N168 | Q166-N168 PolarHBondContact O-N 2.93Š| ||
| 167 | F | 50.2 | Low | 61.1 | Low | 188 Ų | 188 | 91.3 Ų | 91.3 | 83% | 0.825 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -49 | 8.2 | -160.6 | -88.6 | -80.4 | 0 | 0 | 0 | 121.5 | ||
| 168 | N | 65.5 | Low | 62.5 | Low | 95 Ų | 95 | 94.9 Ų | 94.9 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | trans | -156 | 97.1 | 168.2 | -168.8 | -40.2 | 0 | 0 | 0 | 112.2 | Q166 D170 K171 | Q166-N168 PolarHBondContact O-N 2.93Å; N168-D170 WeakPolarHBondContact OD1-CB 3.22Å; N168-D170 PolarHBondContact OD1-N 3.45Å; N168-D170 VanDerWaalsContact OD1-N 3.09Å; N168-K171 PolarHBondContact OD1-N 2.97Å | ||
| 169 | P | 65.7 | Low | 63.8 | Low | 27 Ų | 27 | 88.9 Ų | 88.9 | 18% | 0.175 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -67.6 | -34.6 | 173.8 | -23 | 35.3 | 0 | 0 | 0 | 114.3 | K171 Y172 K186 E187 | P169-K171 PolarHBondContact O-N 3.39Å; P169-Y172 PolarHBondContact O-N 3.47Å; P169-K186 HydrophobicContact CB-CB 4.07Å; P169-E187 HydrophobicContact CG-CG 4.27Å |
| 170 | D | 74.7 | Confident | 65.8 | Low | 84 Ų | 84 | 95.3 Ų | 95.3 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -60.3 | -18.4 | -174.9 | -63.1 | -63.7 | 0 | 0 | 0 | 113.6 | N168 Y172 K186 | N168-D170 WeakPolarHBondContact OD1-CB 3.22Å; N168-D170 PolarHBondContact OD1-N 3.45Å; N168-D170 VanDerWaalsContact OD1-N 3.09Å; D170-Y172 PolarHBondContact O-N 3.02Å; D170-K186 WeakPolarHBondContact OD1-CD 3.36Å; D170-K186 VanDerWaalsContact OD1-CE 3.31Å; D170-K186 WeakPolarHBondContact OD1-CE 3.33Å; D170-K186 IonicContact OD1-NZ 2.7Å; D170-K186 PolarHBondContact OD1-NZ 3.29Å; D170-K186 IonicContact OD2-NZ 3.35Å |
| 171 | K | 72.2 | Confident | 68 | Low | 138 Ų | 138 | 89.1 Ų | 89.1 | 60% | 0.6 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -61.5 | -23.3 | 172.2 | -177 | 173.7 | 176.3 | -117.6 | 0 | 114.2 | N168 P169 | N168-K171 PolarHBondContact OD1-N 2.97Å; P169-K171 PolarHBondContact O-N 3.39Å |
| 172 | Y | 76.7 | Confident | 70.4 | Confident | 75 Ų | 75 | 84.2 Ų | 84.2 | 29% | 0.294 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -7 | -173.8 | -58.2 | -79.2 | 0 | 0 | 0 | 114.1 | P169 D170 G281 V282 | P169-Y172 PolarHBondContact O-N 3.47Å; D170-Y172 PolarHBondContact O-N 3.02Å; Y172-G281 CarbonylContact O-C 3.59Å; Y172-G281 VanDerWaalsContact O-CA 3.23Å; Y172-G281 WeakPolarHBondContact O-CA 3.43Å; Y172-V282 PolarHBondContact O-N 2.8Å |
| 173 | V | 82.4 | Confident | 72.4 | Confident | 8 Ų | 8 | 85.5 Ų | 85.5 | 5% | 0.048 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 100.7 | -176.8 | -173.6 | 0 | 0 | 0 | 0 | 109 | N175 L181 L189 | V173-N175 PolarHBondContact O-N 2.9Å; V173-L181 HydrophobicContact CG1-CD1 3.82Å; V173-L189 HydrophobicContact CG1-CB 4.05Å; V173-L189 HydrophobicContact CG1-CD1 4.02Å; V173-L189 HydrophobicContact CG2-CB 3.64Å |
| 174 | S | 83.9 | Confident | 74.5 | Confident | 40 Ų | 40 | 82.7 Ų | 82.7 | 28% | 0.28 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 91 | 176.6 | -62.1 | 0 | 0 | 0 | 0 | 109.5 | L176 V282 V283 V284 | S174-L176 PolarHBondContact O-N 3.11Å; S174-V282 PolarHBondContact N-O 3.23Å; S174-V283 WeakPolarHBondContact O-CA 3.31Å; S174-V284 PolarHBondContact O-N 2.87Å; S174-V284 VanDerWaalsContact O-N 3.1Å |
| 175 | N | 89.1 | Confident | 76.4 | Confident | 57 Ų | 57 | 76.2 Ų | 76.2 | 31% | 0.305 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 108.4 | 174.5 | -169.4 | 34.5 | 0 | 0 | 0 | 110.5 | V173 S177 V179 L181 | V173-N175 PolarHBondContact O-N 2.9Å; N175-S177 PolarHBondContact OD1-N 3.5Å; N175-S177 PolarHBondContact OD1-OG 3.33Å; N175-V179 PolarHBondContact ND2-O 3.3Å; N175-L181 HydrophobicContact CB-CD1 3.9Å |
| 176 | L | 87.1 | Confident | 78.1 | Confident | 55 Ų | 55 | 76.9 Ų | 76.9 | 29% | 0.288 | 38% | 0.379 | S | S | . | . | trans | -100.9 | -15.8 | 171.8 | -51.9 | 179.6 | 0 | 0 | 0 | 111.5 | S174 V283 V284 I285 I363 | S174-L176 PolarHBondContact O-N 3.11Å; L176-V283 HydrophobicContact CD1-CG1 3.59Å; L176-V283 HydrophobicContact CG-CG1 4.01Å; L176-V284 CarbonylContact C-O 3.52Å; L176-V284 WeakPolarHBondContact CA-O 3.49Å; L176-V284 WeakPolarHBondContact CB-O 3.15Å; L176-V284 PolarHBondContact N-O 3.48Å; L176-I285 HydrophobicContact CB-CB 4.49Å; L176-I285 HydrophobicContact CB-CG1 4.46Å; L176-I363 HydrophobicContact CD1-CD1 3.67Å; L176-I363 HydrophobicContact CD1-CG2 4.06Å; L176-I363 HydrophobicContact CD2-CD1 3.58Å; L176-I363 HydrophobicContact CG-CD1 4.29Å | ||
| 177 | S | 86 | Confident | 79.4 | Confident | 10 Ų | 10 | 72.2 Ų | 72.2 | 7% | 0.07 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -68.1 | 155.9 | 176.3 | 78.5 | 0 | 0 | 0 | 0 | 112.5 | N175 V179 V284 N286 | N175-S177 PolarHBondContact OD1-N 3.5Å; N175-S177 PolarHBondContact OD1-OG 3.33Å; S177-V179 PolarHBondContact O-N 3.44Å; S177-V179 PolarHBondContact OG-N 2.86Å; S177-V284 PolarHBondContact N-O 2.98Å; S177-N286 WeakPolarHBondContact CA-OD1 3.27Å; S177-N286 WeakPolarHBondContact CB-OD1 3.45Å |
| 178 | T | 83.9 | Confident | 80.8 | Confident | 119 Ų | 119 | 63.6 Ų | 63.6 | 73% | 0.73 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -71.8 | -7.2 | 172.1 | 44.4 | 0 | 0 | 0 | 0 | 113 | N286 | T178-N286 PolarHBondContact N-OD1 3.24Å; T178-N286 VanDerWaalsContact N-OD1 3.07Å; T178-N286 PolarHBondContact OG1-ND2 2.84Å; T178-N286 PolarHBondContact OG1-OD1 3.39Å |
| 179 | V | 83.8 | Confident | 81.5 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 13% | 0.127 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -76.3 | 125 | 179.7 | -174.5 | 0 | 0 | 0 | 0 | 110.6 | N175 S177 L181 I271 | N175-V179 PolarHBondContact ND2-O 3.3Å; S177-V179 PolarHBondContact O-N 3.44Å; S177-V179 PolarHBondContact OG-N 2.86Å; V179-L181 PolarHBondContact O-N 3.07Å; V179-L181 VanDerWaalsContact O-N 3.13Å; V179-I271 HydrophobicContact CG2-CG2 3.76Å |
| 180 | R | 83 | Confident | 82.2 | Confident | 241 Ų | 241 | 59.7 Ų | 59.7 | 91% | 0.909 | 30% | 0.301 | S | S | * | . | trans | -76.5 | 96.3 | 172.1 | -77.5 | -173.8 | 173 | -176.7 | -0.5 | 111.1 | S182 | R180-S182 PolarHBondContact O-N 2.94Š| ||
| 181 | L | 86.6 | Confident | 82.1 | Confident | 14 Ų | 14 | 58 Ų | 58 | 7% | 0.073 | 29% | 0.292 | C | S | . | . | trans | -59.7 | 126.4 | 172.4 | -59.6 | 176.6 | 0 | 0 | 0 | 111.7 | V173 N175 V179 E185 K186 L189 L265 V284 | V173-L181 HydrophobicContact CG1-CD1 3.82Å; N175-L181 HydrophobicContact CB-CD1 3.9Å; V179-L181 PolarHBondContact O-N 3.07Å; V179-L181 VanDerWaalsContact O-N 3.13Å; L181-E185 HydrophobicContact CB-CB 4.36Å; L181-E185 HydrophobicContact CD2-CB 4.38Å; L181-K186 HydrophobicContact CB-CG 3.96Å; L181-L189 HydrophobicContact CD1-CD1 3.9Å; L181-L189 HydrophobicContact CD2-CD1 4.36Å; L181-L265 HydrophobicContact CD2-CD1 3.85Å; L181-V284 HydrophobicContact CD1-CG2 4.33Å | ||
| 182 | S | 85.1 | Confident | 82.1 | Confident | 52 Ų | 52 | 52.2 Ų | 52.2 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | trans | -69.3 | 168 | 173.4 | 69.5 | 0 | 0 | 0 | 0 | 112.7 | R180 F184 E185 K186 | R180-S182 PolarHBondContact O-N 2.94Å; S182-F184 PolarHBondContact O-N 2.95Å; S182-E185 WeakPolarHBondContact CB-OE2 3.46Å; S182-E185 PolarHBondContact N-OE2 2.82Å; S182-E185 PolarHBondContact O-N 2.82Å; S182-E185 VanDerWaalsContact OG-CD 3.31Å; S182-E185 WeakPolarHBondContact OG-CG 3.23Å; S182-E185 PolarHBondContact OG-N 3.06Å; S182-E185 PolarHBondContact OG-OE2 3.46Å; S182-K186 WeakPolarHBondContact O-CG 3.36Å; S182-K186 PolarHBondContact O-N 3.01Å | ||
| 183 | V | 79.8 | Confident | 81.8 | Confident | 97 Ų | 97 | 52 Ų | 52 | 59% | 0.588 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -57 | -47.4 | 179.3 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | E185 K186 E187 | V183-E185 VanDerWaalsContact C-N 3.33Å; V183-E185 PolarHBondContact O-N 2.78Å; V183-K186 PolarHBondContact O-N 3.27Å; V183-E187 HydrophobicContact CG1-CG 4.19Å; V183-E187 WeakPolarHBondContact O-CB 3.36Å; V183-E187 VanDerWaalsContact O-CG 3.31Å; V183-E187 WeakPolarHBondContact O-CG 3.33Å; V183-E187 PolarHBondContact O-N 2.94Å |
| 184 | F | 83.7 | Confident | 80.8 | Confident | 78 Ų | 78 | 58.2 Ų | 58.2 | 34% | 0.342 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.2 | -31.2 | -179.3 | -56.8 | -55.8 | 0 | 0 | 0 | 113.4 | S182 E187 A188 K257 H258 A261 | S182-F184 PolarHBondContact O-N 2.95Å; F184-E187 WeakPolarHBondContact CD1-OE2 3.24Å; F184-A188 VanDerWaalsContact O-CB 3.28Å; F184-A188 WeakPolarHBondContact O-CB 3.35Å; F184-A188 PolarHBondContact O-N 3.5Å; F184-K257 HydrophobicContact CD2-CB 4.27Å; F184-K257 HydrophobicContact CE2-CB 4.38Å; F184-K257 HydrophobicContact CE2-CD 3.91Å; F184-K257 HydrophobicContact CG-CB 4.38Å; F184-K257 HydrophobicContact CZ-CD 3.9Å; F184-H258 AromaticContact CD1-CE1 3.62Å; F184-H258 AromaticContact CD1-NE2 3.9Å; F184-H258 PolarHBondContact O-CD2 3.3Å; F184-H258 VanDerWaalsContact O-CD2 3.31Å; F184-A261 HydrophobicContact CB-CB 4.19Å |
| 185 | E | 84.6 | Confident | 79.6 | Confident | 27 Ų | 27 | 62 Ų | 62 | 13% | 0.126 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.8 | -47.4 | 173.2 | -69.2 | 163.9 | 129.8 | 0 | 0 | 110.2 | L181 S182 V183 E187 A188 L189 A261 | L181-E185 HydrophobicContact CB-CB 4.36Å; L181-E185 HydrophobicContact CD2-CB 4.38Å; S182-E185 WeakPolarHBondContact CB-OE2 3.46Å; S182-E185 PolarHBondContact N-OE2 2.82Å; S182-E185 PolarHBondContact O-N 2.82Å; S182-E185 VanDerWaalsContact OG-CD 3.31Å; S182-E185 WeakPolarHBondContact OG-CG 3.23Å; S182-E185 PolarHBondContact OG-N 3.06Å; S182-E185 PolarHBondContact OG-OE2 3.46Å; V183-E185 VanDerWaalsContact C-N 3.33Å; V183-E185 PolarHBondContact O-N 2.78Å; E185-E187 PolarHBondContact O-N 2.96Å; E185-A188 PolarHBondContact O-N 3.5Å; E185-L189 VanDerWaalsContact O-CB 3.27Å; E185-L189 WeakPolarHBondContact O-CB 3.45Å; E185-L189 WeakPolarHBondContact O-CD1 3.28Å; E185-L189 WeakPolarHBondContact O-CG 3.26Å; E185-L189 PolarHBondContact O-N 3.24Å; E185-A261 HydrophobicContact CG-CB 3.69Å |
| 186 | K | 83.4 | Confident | 77.9 | Confident | 59 Ų | 59 | 63.4 Ų | 63.4 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 175.2 | -68.9 | -177.2 | 176.1 | -163.1 | 0 | 112.4 | P169 D170 L181 S182 V183 A188 L189 S190 | P169-K186 HydrophobicContact CB-CB 4.07Å; D170-K186 WeakPolarHBondContact OD1-CD 3.36Å; D170-K186 VanDerWaalsContact OD1-CE 3.31Å; D170-K186 WeakPolarHBondContact OD1-CE 3.33Å; D170-K186 IonicContact OD1-NZ 2.7Å; D170-K186 PolarHBondContact OD1-NZ 3.29Å; D170-K186 IonicContact OD2-NZ 3.35Å; L181-K186 HydrophobicContact CB-CG 3.96Å; S182-K186 WeakPolarHBondContact O-CG 3.36Å; S182-K186 PolarHBondContact O-N 3.01Å; V183-K186 PolarHBondContact O-N 3.27Å; K186-A188 PolarHBondContact O-N 3.38Å; K186-L189 PolarHBondContact O-N 2.98Å; K186-S190 VanDerWaalsContact O-CB 3.23Å; K186-S190 WeakPolarHBondContact O-CB 3.41Å; K186-S190 PolarHBondContact O-N 3.06Å; K186-S190 PolarHBondContact O-OG 3.44Å |
| 187 | E | 80.2 | Confident | 76.2 | Confident | 31 Ų | 31 | 63.9 Ų | 63.9 | 15% | 0.145 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 176.9 | -77.5 | 179.6 | 139.4 | 0 | 0 | 111.2 | F165 P169 V183 F184 E185 S190 H258 | F165-E187 HydrophobicContact CB-CG 4.22Å; F165-E187 WeakPolarHBondContact CB-OE1 3.49Å; F165-E187 HydrophobicContact CD1-CB 3.82Å; F165-E187 HydrophobicContact CD1-CG 3.95Å; F165-E187 HydrophobicContact CD2-CB 4.32Å; F165-E187 VanDerWaalsContact CD2-CD 3.49Å; F165-E187 HydrophobicContact CD2-CG 4.07Å; F165-E187 WeakPolarHBondContact CD2-OE1 3.36Å; F165-E187 HydrophobicContact CE1-CB 3.76Å; F165-E187 HydrophobicContact CE1-CG 4.37Å; F165-E187 HydrophobicContact CE2-CB 4.27Å; F165-E187 HydrophobicContact CE2-CG 4.48Å; F165-E187 HydrophobicContact CG-CB 4.12Å; F165-E187 HydrophobicContact CG-CG 3.8Å; F165-E187 WeakPolarHBondContact CG-OE1 3.32Å; F165-E187 HydrophobicContact CZ-CB 4Å; P169-E187 HydrophobicContact CG-CG 4.27Å; V183-E187 HydrophobicContact CG1-CG 4.19Å; V183-E187 WeakPolarHBondContact O-CB 3.36Å; V183-E187 VanDerWaalsContact O-CG 3.31Å; V183-E187 WeakPolarHBondContact O-CG 3.33Å; V183-E187 PolarHBondContact O-N 2.94Å; F184-E187 WeakPolarHBondContact CD1-OE2 3.24Å; E185-E187 PolarHBondContact O-N 2.96Å; E187-S190 PolarHBondContact O-OG 3.26Å; E187-H258 WeakPolarHBondContact CB-NE2 3.48Å; E187-H258 IonicContact OE2-CE1 3.63Å; E187-H258 IonicContact OE2-NE2 2.78Å; E187-H258 PolarHBondContact OE2-NE2 3.03Å |
| 188 | A | 78.9 | Confident | 74.4 | Confident | 7 Ų | 7 | 65.8 Ų | 65.8 | 6% | 0.058 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.4 | -49.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F184 E185 K186 S190 L191 L254 H258 L262 | F184-A188 VanDerWaalsContact O-CB 3.28Å; F184-A188 WeakPolarHBondContact O-CB 3.35Å; F184-A188 PolarHBondContact O-N 3.5Å; E185-A188 PolarHBondContact O-N 3.5Å; K186-A188 PolarHBondContact O-N 3.38Å; A188-S190 VanDerWaalsContact C-N 3.25Å; A188-S190 PolarHBondContact O-N 2.86Å; A188-L191 WeakPolarHBondContact O-CB 3.37Å; A188-L191 PolarHBondContact O-N 3.31Å; A188-L254 HydrophobicContact CB-CD1 4.29Å; A188-L254 HydrophobicContact CB-CD2 4.01Å; A188-H258 HydrophobicContact CB-CB 4.45Å; A188-L262 HydrophobicContact CB-CD1 4.02Å; A188-L262 HydrophobicContact CB-CD2 3.86Å; A188-L262 HydrophobicContact CB-CG 3.84Å |
| 189 | L | 80.8 | Confident | 72.6 | Confident | 14 Ų | 14 | 67.9 Ų | 67.9 | 7% | 0.073 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.2 | -29.2 | -179.6 | -68 | 167.3 | 0 | 0 | 0 | 112.2 | V173 L181 E185 K186 L191 G192 L262 L265 V282 V284 | V173-L189 HydrophobicContact CG1-CB 4.05Å; V173-L189 HydrophobicContact CG1-CD1 4.02Å; V173-L189 HydrophobicContact CG2-CB 3.64Å; L181-L189 HydrophobicContact CD1-CD1 3.9Å; L181-L189 HydrophobicContact CD2-CD1 4.36Å; E185-L189 VanDerWaalsContact O-CB 3.27Å; E185-L189 WeakPolarHBondContact O-CB 3.45Å; E185-L189 WeakPolarHBondContact O-CD1 3.28Å; E185-L189 WeakPolarHBondContact O-CG 3.26Å; E185-L189 PolarHBondContact O-N 3.24Å; K186-L189 PolarHBondContact O-N 2.98Å; L189-L191 PolarHBondContact O-N 3.29Å; L189-L191 VanDerWaalsContact O-N 3.11Å; L189-G192 PolarHBondContact O-N 3.15Å; L189-L262 HydrophobicContact CD2-CD2 4.38Å; L189-L265 HydrophobicContact CD1-CD2 3.91Å; L189-L265 HydrophobicContact CD2-CD2 4.1Å; L189-L265 HydrophobicContact CG-CD2 4.38Å; L189-V282 HydrophobicContact CD2-CG1 4.12Å; L189-V282 WeakPolarHBondContact O-CG2 3.44Å; L189-V284 HydrophobicContact CD1-CG2 4.32Å |
| 190 | S | 79.8 | Confident | 71 | Confident | 27 Ų | 27 | 73.4 Ų | 73.4 | 19% | 0.189 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -14.4 | 178 | 76.1 | 0 | 0 | 0 | 0 | 114.5 | K186 E187 A188 | K186-S190 VanDerWaalsContact O-CB 3.23Å; K186-S190 WeakPolarHBondContact O-CB 3.41Å; K186-S190 PolarHBondContact O-N 3.06Å; K186-S190 PolarHBondContact O-OG 3.44Å; E187-S190 PolarHBondContact O-OG 3.26Å; A188-S190 VanDerWaalsContact C-N 3.25Å; A188-S190 PolarHBondContact O-N 2.86Å |
| 191 | L | 73.8 | Confident | 69.4 | Low | 49 Ų | 49 | 71.1 Ų | 71.1 | 26% | 0.257 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -23.6 | 172.4 | -55.6 | -175.8 | 0 | 0 | 0 | 112.6 | A188 L189 F195 L254 | A188-L191 WeakPolarHBondContact O-CB 3.37Å; A188-L191 PolarHBondContact O-N 3.31Å; L189-L191 PolarHBondContact O-N 3.29Å; L189-L191 VanDerWaalsContact O-N 3.11Å; L191-F195 HydrophobicContact CB-CB 3.92Å; L191-F195 HydrophobicContact CB-CD2 3.63Å; L191-F195 HydrophobicContact CB-CE2 4.23Å; L191-F195 HydrophobicContact CB-CG 3.8Å; L191-F195 HydrophobicContact CD1-CB 4.16Å; L191-F195 HydrophobicContact CD1-CD1 4.24Å; L191-F195 HydrophobicContact CD1-CG 4.15Å; L191-F195 WeakPolarHBondContact O-CD2 3.24Å; L191-F195 WeakPolarHBondContact O-CE2 3.45Å; L191-L254 HydrophobicContact CD1-CD2 3.72Å; L191-L254 HydrophobicContact CD1-CG 4.23Å |
| 192 | G | 72.1 | Confident | 67.8 | Low | 15 Ų | 15 | 75 Ų | 75 | 16% | 0.155 | 40% | 0.403 | C | S | . | . | trans | 76.9 | 170.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L189 N194 F195 | L189-G192 PolarHBondContact O-N 3.15Å; G192-N194 PolarHBondContact O-N 3.25Å; G192-F195 PolarHBondContact O-N 2.99Å; G192-F195 VanDerWaalsContact O-N 3.09Å | ||
| 193 | F | 69.8 | Low | 66.5 | Low | 70 Ų | 70 | 76 Ų | 76 | 31% | 0.307 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -57.1 | -10.5 | -173.7 | -67.7 | -92.2 | 0 | 0 | 0 | 116.3 | F195 I273 L274 R275 V282 | F193-F195 VanDerWaalsContact C-N 3.27Å; F193-I273 HydrophobicContact CE1-CG2 4.21Å; F193-I273 HydrophobicContact CZ-CG2 3.93Å; F193-L274 WeakPolarHBondContact CE2-O 3.35Å; F193-L274 VanDerWaalsContact CZ-C 3.43Å; F193-L274 WeakPolarHBondContact CZ-O 3.24Å; F193-R275 HydrophobicContact CD2-CG 3.43Å; F193-R275 VanDerWaalsContact CD2-CG 3.43Å; F193-R275 HydrophobicContact CE2-CB 4.26Å; F193-R275 HydrophobicContact CE2-CG 3.39Å; F193-R275 HydrophobicContact CG-CG 4.1Å; F193-R275 HydrophobicContact CZ-CG 4.02Å; F193-V282 HydrophobicContact CD2-CG2 4Å; F193-V282 HydrophobicContact CE2-CB 4.16Å; F193-V282 HydrophobicContact CE2-CG1 3.84Å; F193-V282 HydrophobicContact CE2-CG2 3.82Å; F193-V282 HydrophobicContact CZ-CG1 3.95Å |
| 194 | N | 60.7 | Low | 65.7 | Low | 139 Ų | 139 | 76.2 Ų | 76.2 | 74% | 0.743 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -79.7 | -9.2 | 177.8 | -65.7 | -5.3 | 0 | 0 | 0 | 113 | G192 | G192-N194 PolarHBondContact O-N 3.25Š|
| 195 | F | 59 | Low | 65 | Low | 119 Ų | 119 | 79.5 Ų | 79.5 | 52% | 0.522 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -110 | 39.2 | 176.5 | -64.3 | -99.7 | 0 | 0 | 0 | 111.2 | L191 G192 F193 | L191-F195 HydrophobicContact CB-CB 3.92Å; L191-F195 HydrophobicContact CB-CD2 3.63Å; L191-F195 HydrophobicContact CB-CE2 4.23Å; L191-F195 HydrophobicContact CB-CG 3.8Å; L191-F195 HydrophobicContact CD1-CB 4.16Å; L191-F195 HydrophobicContact CD1-CD1 4.24Å; L191-F195 HydrophobicContact CD1-CG 4.15Å; L191-F195 WeakPolarHBondContact O-CD2 3.24Å; L191-F195 WeakPolarHBondContact O-CE2 3.45Å; G192-F195 PolarHBondContact O-N 2.99Å; G192-F195 VanDerWaalsContact O-N 3.09Å; F193-F195 VanDerWaalsContact C-N 3.27Å |
| 196 | S | 53.4 | Low | 63.9 | Low | 88 Ų | 88 | 80.5 Ų | 80.5 | 62% | 0.615 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 146.1 | 178.8 | 51 | 0 | 0 | 0 | 0 | 112.4 | A198 | S196-A198 PolarHBondContact O-N 3.1Š|
| 197 | V | 52.7 | Low | 63 | Low | 65 Ų | 65 | 78.5 Ų | 78.5 | 39% | 0.394 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 125.1 | 167.2 | -169 | 0 | 0 | 0 | 0 | 107.2 | F259 L262 | V197-F259 HydrophobicContact CB-CE1 4.44Å; V197-F259 HydrophobicContact CG1-CD1 4.19Å; V197-F259 HydrophobicContact CG1-CE1 3.98Å; V197-F259 HydrophobicContact CG2-CD1 3.8Å; V197-F259 HydrophobicContact CG2-CE1 3.79Å; V197-L262 HydrophobicContact CG2-CD1 4.04Å |
| 198 | A | 46.9 | Very low | 62.6 | Low | 49 Ų | 49 | 80.6 Ų | 80.6 | 41% | 0.405 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 147.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | S196 T200 Q250 | S196-A198 PolarHBondContact O-N 3.1Å; A198-T200 PolarHBondContact O-N 3.04Å; A198-T200 VanDerWaalsContact O-N 3.11Å; A198-Q250 VanDerWaalsContact CB-NE2 3.31Å |
| 199 | H | 47.6 | Very low | 62.1 | Low | 164 Ų | 164 | 82.9 Ų | 82.9 | 76% | 0.759 | 46% | 0.462 | S | S | * | . | trans | -59.8 | 115.7 | 172.2 | -63.8 | -90.9 | 0 | 0 | 0 | 109.2 | K201 | H199-K201 PolarHBondContact O-N 2.88Š| ||
| 200 | T | 49.6 | Very low | 61.5 | Low | 137 Ų | 137 | 88.1 Ų | 88.1 | 84% | 0.84 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -80.4 | -1.7 | -172.8 | 46.6 | 0 | 0 | 0 | 0 | 114.3 | A198 | A198-T200 PolarHBondContact O-N 3.04Å; A198-T200 VanDerWaalsContact O-N 3.11Å |
| 201 | K | 49.4 | Very low | 61.2 | Low | 192 Ų | 192 | 88.9 Ų | 88.9 | 84% | 0.835 | 49% | 0.486 | S | S | * | . | trans | -128.5 | 113.2 | 160.9 | -73.5 | -169.3 | 172.6 | -168.3 | 0 | 108.3 | H199 | H199-K201 PolarHBondContact O-N 2.88Š| ||
| 202 | I | 53.8 | Low | 61 | Low | 95 Ų | 95 | 93 Ų | 93 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | trans | -94.2 | 144.5 | 151.5 | -58.5 | 173.4 | 0 | 0 | 0 | 104.3 | I207 | I202-I207 HydrophobicContact CB-CD1 4.4Å; I202-I207 HydrophobicContact CB-CG1 4.48Å; I202-I207 HydrophobicContact CG2-CD1 4.3Å; I202-I207 HydrophobicContact CG2-CG1 3.86Å | ||
| 203 | S | 57.4 | Low | 61 | Low | 75 Ų | 75 | 95 Ų | 95 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | trans | -73 | 140.1 | 174.3 | 45.2 | 0 | 0 | 0 | 0 | 110.3 | L205 S206 I207 | S203-L205 VanDerWaalsContact C-N 3.29Å; S203-L205 PolarHBondContact O-N 3.44Å; S203-S206 WeakPolarHBondContact O-CA 3.38Å; S203-S206 VanDerWaalsContact O-CB 3.3Å; S203-S206 WeakPolarHBondContact O-CB 3.44Å; S203-S206 PolarHBondContact O-N 3.25Å; S203-S206 WeakPolarHBondContact OG-CB 3.33Å; S203-I207 PolarHBondContact O-N 3.01Å | ||
| 204 | D | 62.9 | Low | 61 | Low | 100 Ų | 100 | 95 Ų | 95 | 54% | 0.535 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.1 | -43 | -177.8 | -52.9 | -43.8 | 0 | 0 | 0 | 110.9 | S206 I207 D208 H244 | D204-S206 PolarHBondContact O-N 3.35Å; D204-I207 WeakPolarHBondContact O-CA 3.38Å; D204-I207 WeakPolarHBondContact O-CB 3.3Å; D204-I207 PolarHBondContact O-N 3Å; D204-D208 PolarHBondContact O-N 2.89Å; D204-H244 VanDerWaalsContact CA-NE2 3.35Å; D204-H244 WeakPolarHBondContact CA-NE2 3.4Å; D204-H244 WeakPolarHBondContact CB-NE2 3.49Å; D204-H244 IonicContact OD1-CD2 3.12Å; D204-H244 PolarHBondContact OD1-CD2 3.25Å; D204-H244 VanDerWaalsContact OD1-CD2 3.27Å; D204-H244 IonicContact OD1-NE2 2.93Å |
| 205 | L | 68.2 | Low | 61.5 | Low | 147 Ų | 147 | 90.8 Ų | 90.8 | 77% | 0.77 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -47.5 | -33.7 | 167.1 | -97.2 | 161.4 | 0 | 0 | 0 | 115.2 | S203 A209 | S203-L205 VanDerWaalsContact C-N 3.29Å; S203-L205 PolarHBondContact O-N 3.44Å; L205-A209 WeakPolarHBondContact O-CB 3.48Å; L205-A209 PolarHBondContact O-N 3.38Å |
| 206 | S | 62.3 | Low | 62 | Low | 48 Ų | 48 | 90 Ų | 90 | 34% | 0.336 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -81.1 | -25.2 | 177.5 | -179.6 | 0 | 0 | 0 | 0 | 112.4 | S203 D204 Q210 | S203-S206 WeakPolarHBondContact O-CA 3.38Å; S203-S206 VanDerWaalsContact O-CB 3.3Å; S203-S206 WeakPolarHBondContact O-CB 3.44Å; S203-S206 PolarHBondContact O-N 3.25Å; S203-S206 WeakPolarHBondContact OG-CB 3.33Å; D204-S206 PolarHBondContact O-N 3.35Å; S206-Q210 WeakPolarHBondContact O-CG 3.44Å; S206-Q210 PolarHBondContact O-NE2 2.82Å |
| 207 | I | 63.5 | Low | 62.6 | Low | 18 Ų | 18 | 92.2 Ų | 92.2 | 9% | 0.092 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -76.3 | -48.4 | 173.7 | -62.8 | 173.1 | 0 | 0 | 0 | 109 | I202 S203 D204 A209 Q210 F211 | I202-I207 HydrophobicContact CB-CD1 4.4Å; I202-I207 HydrophobicContact CB-CG1 4.48Å; I202-I207 HydrophobicContact CG2-CD1 4.3Å; I202-I207 HydrophobicContact CG2-CG1 3.86Å; S203-I207 PolarHBondContact O-N 3.01Å; D204-I207 WeakPolarHBondContact O-CA 3.38Å; D204-I207 WeakPolarHBondContact O-CB 3.3Å; D204-I207 PolarHBondContact O-N 3Å; I207-A209 PolarHBondContact O-N 3.06Å; I207-Q210 WeakPolarHBondContact O-CB 3.43Å; I207-Q210 PolarHBondContact O-N 2.91Å; I207-Q210 VanDerWaalsContact O-N 3.1Å; I207-F211 HydrophobicContact CG2-CD2 3.79Å; I207-F211 HydrophobicContact CG2-CE2 3.82Å; I207-F211 WeakPolarHBondContact O-CD2 3.31Å; I207-F211 PolarHBondContact O-N 3.47Å |
| 208 | D | 72.1 | Confident | 63.2 | Low | 74 Ų | 74 | 91.7 Ų | 91.7 | 40% | 0.396 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.8 | -49.8 | 179 | -68.1 | -41.2 | 0 | 0 | 0 | 111.8 | D204 Q210 F211 E212 H244 | D204-D208 PolarHBondContact O-N 2.89Å; D208-Q210 PolarHBondContact O-N 3.37Å; D208-Q210 VanDerWaalsContact O-N 3.15Å; D208-F211 CarbonylContact O-C 3.47Å; D208-F211 PolarHBondContact O-N 3.12Å; D208-E212 PolarHBondContact O-N 2.91Å; D208-H244 IonicContact OD1-CE1 3.52Å; D208-H244 PolarHBondContact OD1-CE1 2.89Å; D208-H244 IonicContact OD2-CE1 2.63Å |
| 209 | A | 68.4 | Low | 64.1 | Low | 56 Ų | 56 | 92.7 Ų | 92.7 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.8 | -27.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L205 I207 S213 | L205-A209 WeakPolarHBondContact O-CB 3.48Å; L205-A209 PolarHBondContact O-N 3.38Å; I207-A209 PolarHBondContact O-N 3.06Å; A209-S213 VanDerWaalsContact O-CB 3.31Å; A209-S213 WeakPolarHBondContact O-CB 3.36Å; A209-S213 PolarHBondContact O-N 3.31Å; A209-S213 VanDerWaalsContact O-N 3.16Å |
| 210 | Q | 67.9 | Low | 64.8 | Low | 123 Ų | 123 | 89.7 Ų | 89.7 | 58% | 0.575 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -75.9 | -36 | 172.8 | -79.3 | 173.6 | 81.3 | 0 | 0 | 112.2 | S206 I207 D208 L214 | S206-Q210 WeakPolarHBondContact O-CG 3.44Å; S206-Q210 PolarHBondContact O-NE2 2.82Å; I207-Q210 WeakPolarHBondContact O-CB 3.43Å; I207-Q210 PolarHBondContact O-N 2.91Å; I207-Q210 VanDerWaalsContact O-N 3.1Å; D208-Q210 PolarHBondContact O-N 3.37Å; D208-Q210 VanDerWaalsContact O-N 3.15Å; Q210-L214 VanDerWaalsContact O-CB 3.28Å; Q210-L214 WeakPolarHBondContact O-CB 3.45Å; Q210-L214 PolarHBondContact O-N 3.02Å |
| 211 | F | 73.1 | Confident | 65.3 | Low | 43 Ų | 43 | 88.9 Ų | 88.9 | 19% | 0.189 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -74.9 | -35.3 | 176 | -85.6 | -79 | 0 | 0 | 0 | 112.9 | I207 D208 L214 Y215 L236 V239 A240 | I207-F211 HydrophobicContact CG2-CD2 3.79Å; I207-F211 HydrophobicContact CG2-CE2 3.82Å; I207-F211 WeakPolarHBondContact O-CD2 3.31Å; I207-F211 PolarHBondContact O-N 3.47Å; D208-F211 CarbonylContact O-C 3.47Å; D208-F211 PolarHBondContact O-N 3.12Å; F211-L214 HydrophobicContact CD1-CD2 4.49Å; F211-L214 PolarHBondContact O-N 3.49Å; F211-Y215 WeakPolarHBondContact O-CB 3.46Å; F211-Y215 PolarHBondContact O-N 3.31Å; F211-L236 HydrophobicContact CD1-CD2 4.35Å; F211-V239 HydrophobicContact CE1-CG1 3.99Å; F211-V239 HydrophobicContact CZ-CG1 3.98Å; F211-A240 HydrophobicContact CB-CB 4.5Å; F211-A240 HydrophobicContact CD1-CB 4.06Å; F211-A240 HydrophobicContact CD2-CB 3.81Å; F211-A240 HydrophobicContact CE1-CB 4.22Å; F211-A240 HydrophobicContact CE2-CB 3.98Å; F211-A240 HydrophobicContact CG-CB 3.86Å; F211-A240 HydrophobicContact CZ-CB 4.18Å |
| 212 | E | 71.3 | Confident | 65.4 | Low | 137 Ų | 137 | 86.3 Ų | 86.3 | 64% | 0.64 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.8 | -52 | 170 | -71.7 | -166.7 | 133.8 | 0 | 0 | 111 | D208 L214 Y215 D216 | D208-E212 PolarHBondContact O-N 2.91Å; E212-L214 PolarHBondContact O-N 3.13Å; E212-Y215 WeakPolarHBondContact O-CA 3.32Å; E212-Y215 WeakPolarHBondContact O-CB 3.47Å; E212-Y215 PolarHBondContact O-N 2.85Å; E212-D216 PolarHBondContact O-N 3.39Å |
| 213 | S | 71.4 | Confident | 65.4 | Low | 57 Ų | 57 | 83.7 Ų | 83.7 | 40% | 0.399 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.6 | -35.1 | 177.5 | -171.8 | 0 | 0 | 0 | 0 | 112.6 | A209 Q217 | A209-S213 VanDerWaalsContact O-CB 3.31Å; A209-S213 WeakPolarHBondContact O-CB 3.36Å; A209-S213 PolarHBondContact O-N 3.31Å; A209-S213 VanDerWaalsContact O-N 3.16Å; S213-Q217 WeakPolarHBondContact O-CB 3.36Å; S213-Q217 WeakPolarHBondContact O-CG 3.2Å; S213-Q217 PolarHBondContact O-N 3.19Å; S213-Q217 VanDerWaalsContact O-N 3.08Å; S213-Q217 PolarHBondContact O-NE2 3.32Å; S213-Q217 PolarHBondContact OG-NE2 3.45Å; S213-Q217 VanDerWaalsContact OG-NE2 3.11Å |
| 214 | L | 69.3 | Low | 65.8 | Low | 69 Ų | 69 | 85.6 Ų | 85.6 | 36% | 0.361 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.9 | -38.5 | 173.6 | -176.8 | 66.1 | 0 | 0 | 0 | 112.4 | Q210 F211 E212 L218 L236 | Q210-L214 VanDerWaalsContact O-CB 3.28Å; Q210-L214 WeakPolarHBondContact O-CB 3.45Å; Q210-L214 PolarHBondContact O-N 3.02Å; F211-L214 HydrophobicContact CD1-CD2 4.49Å; F211-L214 PolarHBondContact O-N 3.49Å; E212-L214 PolarHBondContact O-N 3.13Å; L214-L218 HydrophobicContact CD1-CD1 4.44Å; L214-L218 HydrophobicContact CG-CD1 4.24Å; L214-L218 WeakPolarHBondContact O-CD1 3.45Å; L214-L218 VanDerWaalsContact O-CG 3.24Å; L214-L218 WeakPolarHBondContact O-CG 3.35Å; L214-L218 PolarHBondContact O-N 3.38Å; L214-L236 HydrophobicContact CD2-CD2 3.97Å |
| 215 | Y | 71.4 | Confident | 66 | Low | 51 Ų | 51 | 83.8 Ų | 83.8 | 20% | 0.2 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -65.6 | -44 | 175.7 | 177.1 | -92.4 | 0 | 0 | 0 | 111.4 | F211 E212 L218 N219 K233 L236 | F211-Y215 WeakPolarHBondContact O-CB 3.46Å; F211-Y215 PolarHBondContact O-N 3.31Å; E212-Y215 WeakPolarHBondContact O-CA 3.32Å; E212-Y215 WeakPolarHBondContact O-CB 3.47Å; E212-Y215 PolarHBondContact O-N 2.85Å; Y215-L218 PolarHBondContact O-N 2.8Å; Y215-L218 VanDerWaalsContact O-N 3.1Å; Y215-N219 PolarHBondContact O-N 2.69Å; Y215-K233 HydrophobicContact CD2-CG 4.37Å; Y215-K233 HydrophobicContact CE2-CB 4.13Å; Y215-K233 HydrophobicContact CE2-CD 3.78Å; Y215-K233 HydrophobicContact CE2-CG 3.69Å; Y215-L236 HydrophobicContact CD2-CD1 3.93Å |
| 216 | D | 69.6 | Low | 66.3 | Low | 101 Ų | 101 | 82.7 Ų | 82.7 | 54% | 0.54 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 177.8 | -74.1 | -22.3 | 0 | 0 | 0 | 112.2 | E212 L218 N219 P220 | E212-D216 PolarHBondContact O-N 3.39Å; D216-L218 PolarHBondContact O-N 3.43Å; D216-N219 PolarHBondContact O-N 2.93Å; D216-P220 WeakPolarHBondContact O-CD 3.49Å |
| 217 | Q | 65.6 | Low | 66.8 | Low | 135 Ų | 135 | 86.2 Ų | 86.2 | 63% | 0.631 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.5 | -26.8 | 173.2 | -75.9 | 168.7 | 58.7 | 0 | 0 | 113.3 | S213 | S213-Q217 WeakPolarHBondContact O-CB 3.36Å; S213-Q217 WeakPolarHBondContact O-CG 3.2Å; S213-Q217 PolarHBondContact O-N 3.19Å; S213-Q217 VanDerWaalsContact O-N 3.08Å; S213-Q217 PolarHBondContact O-NE2 3.32Å; S213-Q217 PolarHBondContact OG-NE2 3.45Å; S213-Q217 VanDerWaalsContact OG-NE2 3.11Å |
| 218 | L | 65.3 | Low | 66.8 | Low | 54 Ų | 54 | 90.6 Ų | 90.6 | 28% | 0.283 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -92.5 | -18.8 | 179.2 | -68.4 | 170.2 | 0 | 0 | 0 | 113.3 | L214 Y215 D216 L221 L236 | L214-L218 HydrophobicContact CD1-CD1 4.44Å; L214-L218 HydrophobicContact CG-CD1 4.24Å; L214-L218 WeakPolarHBondContact O-CD1 3.45Å; L214-L218 VanDerWaalsContact O-CG 3.24Å; L214-L218 WeakPolarHBondContact O-CG 3.35Å; L214-L218 PolarHBondContact O-N 3.38Å; Y215-L218 PolarHBondContact O-N 2.8Å; Y215-L218 VanDerWaalsContact O-N 3.1Å; D216-L218 PolarHBondContact O-N 3.43Å; L218-L221 HydrophobicContact CD2-CD1 3.86Å; L218-L221 WeakPolarHBondContact O-CB 3.46Å; L218-L221 PolarHBondContact O-N 2.78Å; L218-L236 HydrophobicContact CD1-CD1 4.21Å |
| 219 | N | 66.1 | Low | 66.8 | Low | 71 Ų | 71 | 90.4 Ų | 90.4 | 38% | 0.38 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -29 | -175.8 | -159.8 | 22.5 | 0 | 0 | 0 | 115.1 | Y215 D216 L221 K229 | Y215-N219 PolarHBondContact O-N 2.69Å; D216-N219 PolarHBondContact O-N 2.93Å; N219-L221 VanDerWaalsContact C-N 3.25Å; N219-L221 PolarHBondContact O-N 2.87Å; N219-K229 PolarHBondContact OD1-NZ 3.36Å |
| 220 | P | 61.7 | Low | 67.1 | Low | 101 Ų | 101 | 91.6 Ų | 91.6 | 66% | 0.656 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.9 | 171.9 | -23.5 | 35 | 0 | 0 | 0 | 115.2 | D216 V222 | D216-P220 WeakPolarHBondContact O-CD 3.49Å; P220-V222 PolarHBondContact O-N 3.35Å |
| 221 | L | 59.7 | Low | 67.6 | Low | 120 Ų | 120 | 93.5 Ų | 93.5 | 63% | 0.628 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -80.4 | 83.8 | -178 | -61.1 | 174.8 | 0 | 0 | 0 | 110.6 | L218 N219 P223 | L218-L221 HydrophobicContact CD2-CD1 3.86Å; L218-L221 WeakPolarHBondContact O-CB 3.46Å; L218-L221 PolarHBondContact O-N 2.78Å; N219-L221 VanDerWaalsContact C-N 3.25Å; N219-L221 PolarHBondContact O-N 2.87Å; L221-P223 WeakPolarHBondContact O-CD 3.5Å; L221-P223 WeakPolarHBondContact O-CG 3.38Å; L221-P223 VanDerWaalsContact O-N 3.09Å |
| 222 | V | 53.4 | Low | 67.6 | Low | 137 Ų | 137 | 94.5 Ų | 94.5 | 83% | 0.83 | 49% | 0.494 | S | S | * | . | trans | -49.6 | 109.9 | -176.3 | -175.3 | 0 | 0 | 0 | 0 | 112.1 | P220 | P220-V222 PolarHBondContact O-N 3.35Š| ||
| 223 | P | 53.3 | Low | 67.7 | Low | 41 Ų | 41 | 92.9 Ų | 92.9 | 27% | 0.266 | 48% | 0.484 | S | S | . | . | trans | -77.1 | 139 | -178.8 | -19.7 | 36.6 | 0 | 0 | 0 | 111.6 | L221 T225 K228 K229 | L221-P223 WeakPolarHBondContact O-CD 3.5Å; L221-P223 WeakPolarHBondContact O-CG 3.38Å; L221-P223 VanDerWaalsContact O-N 3.09Å; P223-T225 PolarHBondContact O-N 3.02Å; P223-T225 VanDerWaalsContact O-N 3.11Å; P223-K228 HydrophobicContact CB-CB 4.23Å; P223-K229 HydrophobicContact CB-CB 4.1Å; P223-K229 HydrophobicContact CG-CB 3.8Å; P223-K229 HydrophobicContact CG-CD 4.25Å; P223-K229 HydrophobicContact CG-CG 4.06Å | ||
| 224 | T | 65.1 | Low | 68 | Low | 114 Ų | 114 | 94.1 Ų | 94.1 | 70% | 0.699 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -64.7 | -16.2 | -175 | 32.9 | 0 | 0 | 0 | 0 | 115.7 | K228 | T224-K228 WeakPolarHBondContact OG1-CD 3.46Å; T224-K228 PolarHBondContact OG1-NZ 2.87Å |
| 225 | T | 67.7 | Low | 68.3 | Low | 63 Ų | 63 | 95 Ų | 95 | 39% | 0.387 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -146.2 | 155.1 | 169.3 | 59.6 | 0 | 0 | 0 | 0 | 110.2 | P223 D227 K228 K229 | P223-T225 PolarHBondContact O-N 3.02Å; P223-T225 VanDerWaalsContact O-N 3.11Å; T225-D227 PolarHBondContact O-N 3.46Å; T225-K228 PolarHBondContact O-N 2.61Å; T225-K228 WeakPolarHBondContact OG1-CG 3.34Å; T225-K228 PolarHBondContact OG1-N 2.83Å; T225-K229 PolarHBondContact O-N 2.94Å |
| 226 | L | 74.3 | Confident | 68.3 | Low | 124 Ų | 124 | 94 Ų | 94 | 65% | 0.649 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57.3 | -38.8 | 175.9 | -174.4 | 61.1 | 0 | 0 | 0 | 111.5 | K228 K229 N230 | L226-K228 VanDerWaalsContact C-N 3.29Å; L226-K228 PolarHBondContact O-N 3.45Å; L226-K229 WeakPolarHBondContact O-CB 3.5Å; L226-K229 PolarHBondContact O-N 2.9Å; L226-N230 PolarHBondContact O-N 3.11Å |
| 227 | D | 71.6 | Confident | 68.7 | Low | 122 Ų | 122 | 92.8 Ų | 92.8 | 65% | 0.652 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.5 | -37.1 | 175.2 | -57.5 | -45.8 | 0 | 0 | 0 | 113.1 | T225 N230 W231 | T225-D227 PolarHBondContact O-N 3.46Å; D227-N230 PolarHBondContact O-N 3.44Å; D227-W231 WeakPolarHBondContact O-CB 3.39Å; D227-W231 PolarHBondContact O-N 2.84Å |
| 228 | K | 65.1 | Low | 69.1 | Low | 110 Ų | 110 | 89.5 Ų | 89.5 | 48% | 0.478 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.7 | -34.9 | 176.1 | -70.2 | 173.7 | -167.7 | 175.1 | 0 | 111.7 | P223 T224 T225 L226 L232 | P223-K228 HydrophobicContact CB-CB 4.23Å; T224-K228 WeakPolarHBondContact OG1-CD 3.46Å; T224-K228 PolarHBondContact OG1-NZ 2.87Å; T225-K228 PolarHBondContact O-N 2.61Å; T225-K228 WeakPolarHBondContact OG1-CG 3.34Å; T225-K228 PolarHBondContact OG1-N 2.83Å; L226-K228 VanDerWaalsContact C-N 3.29Å; L226-K228 PolarHBondContact O-N 3.45Å; K228-L232 WeakPolarHBondContact O-CB 3.4Å; K228-L232 PolarHBondContact O-N 3.12Å |
| 229 | K | 71.6 | Confident | 69.3 | Low | 69 Ų | 69 | 90.5 Ų | 90.5 | 30% | 0.3 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.9 | -46.8 | 172.6 | -167.9 | 161.6 | -174.4 | 161.5 | 0 | 110.8 | N219 P223 T225 L226 L232 K233 | N219-K229 PolarHBondContact OD1-NZ 3.36Å; P223-K229 HydrophobicContact CB-CB 4.1Å; P223-K229 HydrophobicContact CG-CB 3.8Å; P223-K229 HydrophobicContact CG-CD 4.25Å; P223-K229 HydrophobicContact CG-CG 4.06Å; T225-K229 PolarHBondContact O-N 2.94Å; L226-K229 WeakPolarHBondContact O-CB 3.5Å; L226-K229 PolarHBondContact O-N 2.9Å; K229-L232 PolarHBondContact O-N 2.73Å; K229-K233 WeakPolarHBondContact O-CB 3.47Å; K229-K233 PolarHBondContact O-N 3.05Å |
| 230 | N | 75.5 | Confident | 69.4 | Low | 81 Ų | 81 | 87.7 Ų | 87.7 | 43% | 0.433 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 178.4 | -68.5 | -14.2 | 0 | 0 | 0 | 111.6 | L226 D227 L232 K233 V234 | L226-N230 PolarHBondContact O-N 3.11Å; D227-N230 PolarHBondContact O-N 3.44Å; N230-L232 PolarHBondContact O-N 3.29Å; N230-K233 PolarHBondContact O-N 3.06Å; N230-V234 WeakPolarHBondContact O-CB 3.25Å; N230-V234 WeakPolarHBondContact O-CG2 3.42Å; N230-V234 PolarHBondContact O-N 3.01Å |
| 231 | W | 76.6 | Confident | 69.9 | Low | 163 Ų | 163 | 89.1 Ų | 89.1 | 62% | 0.617 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -57.7 | -45 | 174.9 | 174.4 | 90.3 | 0 | 0 | 0 | 112.4 | D227 K235 | D227-W231 WeakPolarHBondContact O-CB 3.39Å; D227-W231 PolarHBondContact O-N 2.84Å; W231-K235 HydrophobicContact CD2-CG 4.4Å; W231-K235 HydrophobicContact CZ2-CG 4.21Å; W231-K235 VanDerWaalsContact O-CB 3.32Å; W231-K235 WeakPolarHBondContact O-CB 3.38Å; W231-K235 WeakPolarHBondContact O-CG 3.44Å; W231-K235 PolarHBondContact O-N 3.14Å |
| 232 | L | 73.7 | Confident | 70.3 | Confident | 65 Ų | 65 | 90.1 Ų | 90.1 | 34% | 0.34 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 177.7 | 180 | 63.2 | 0 | 0 | 0 | 111.2 | K228 K229 N230 K235 L236 | K228-L232 WeakPolarHBondContact O-CB 3.4Å; K228-L232 PolarHBondContact O-N 3.12Å; K229-L232 PolarHBondContact O-N 2.73Å; N230-L232 PolarHBondContact O-N 3.29Å; L232-K235 PolarHBondContact O-N 2.91Å; L232-L236 HydrophobicContact CG-CD1 4.4Å; L232-L236 PolarHBondContact O-N 3.47Å |
| 233 | K | 74.2 | Confident | 70.9 | Confident | 102 Ų | 102 | 89.3 Ų | 89.3 | 44% | 0.443 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64 | -47.1 | 179 | -164.4 | 168.4 | -169.2 | 174.6 | 0 | 111.7 | Y215 K229 N230 K235 L236 V237 | Y215-K233 HydrophobicContact CD2-CG 4.37Å; Y215-K233 HydrophobicContact CE2-CB 4.13Å; Y215-K233 HydrophobicContact CE2-CD 3.78Å; Y215-K233 HydrophobicContact CE2-CG 3.69Å; K229-K233 WeakPolarHBondContact O-CB 3.47Å; K229-K233 PolarHBondContact O-N 3.05Å; N230-K233 PolarHBondContact O-N 3.06Å; K233-K235 VanDerWaalsContact C-N 3.33Å; K233-K235 PolarHBondContact O-N 3.38Å; K233-L236 PolarHBondContact O-N 3.46Å; K233-V237 WeakPolarHBondContact O-CG2 3.33Å; K233-V237 PolarHBondContact O-N 3.49Å; K233-V237 VanDerWaalsContact O-N 3.15Å |
| 234 | V | 77.5 | Confident | 71.4 | Confident | 83 Ų | 83 | 90.2 Ų | 90.2 | 50% | 0.503 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 173.7 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | N230 L236 V237 D238 | N230-V234 WeakPolarHBondContact O-CB 3.25Å; N230-V234 WeakPolarHBondContact O-CG2 3.42Å; N230-V234 PolarHBondContact O-N 3.01Å; V234-L236 PolarHBondContact O-N 2.91Å; V234-V237 PolarHBondContact O-N 2.97Å; V234-D238 PolarHBondContact O-N 3.05Å |
| 235 | K | 75.2 | Confident | 71 | Confident | 89 Ų | 89 | 88 Ų | 88 | 39% | 0.387 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.6 | -29.1 | -179.9 | -80.1 | -76.7 | 162.6 | -74.6 | 0 | 114.1 | W231 L232 K233 D238 V239 | W231-K235 HydrophobicContact CD2-CG 4.4Å; W231-K235 HydrophobicContact CZ2-CG 4.21Å; W231-K235 VanDerWaalsContact O-CB 3.32Å; W231-K235 WeakPolarHBondContact O-CB 3.38Å; W231-K235 WeakPolarHBondContact O-CG 3.44Å; W231-K235 PolarHBondContact O-N 3.14Å; L232-K235 PolarHBondContact O-N 2.91Å; K233-K235 VanDerWaalsContact C-N 3.33Å; K233-K235 PolarHBondContact O-N 3.38Å; K235-D238 IonicContact NZ-OD2 3.92Å; K235-D238 PolarHBondContact NZ-OD2 2.87Å; K235-V239 WeakPolarHBondContact O-CB 3.41Å; K235-V239 WeakPolarHBondContact O-CG2 3.3Å; K235-V239 PolarHBondContact O-N 3.45Å |
| 236 | L | 72.2 | Confident | 70.3 | Confident | 29 Ų | 29 | 88 Ų | 88 | 15% | 0.152 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.8 | -45.3 | 169.7 | -80.3 | 165.2 | 0 | 0 | 0 | 111.1 | F211 L214 Y215 L218 L232 K233 V234 V239 A240 | F211-L236 HydrophobicContact CD1-CD2 4.35Å; L214-L236 HydrophobicContact CD2-CD2 3.97Å; Y215-L236 HydrophobicContact CD2-CD1 3.93Å; L218-L236 HydrophobicContact CD1-CD1 4.21Å; L232-L236 HydrophobicContact CG-CD1 4.4Å; L232-L236 PolarHBondContact O-N 3.47Å; K233-L236 PolarHBondContact O-N 3.46Å; V234-L236 PolarHBondContact O-N 2.91Å; L236-V239 PolarHBondContact O-N 2.9Å; L236-A240 PolarHBondContact O-N 3.41Å |
| 237 | V | 77.9 | Confident | 68.9 | Low | 76 Ų | 76 | 90 Ų | 90 | 46% | 0.461 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 176.8 | 172.7 | 0 | 0 | 0 | 0 | 112 | K233 V234 V239 A240 H241 | K233-V237 WeakPolarHBondContact O-CG2 3.33Å; K233-V237 PolarHBondContact O-N 3.49Å; K233-V237 VanDerWaalsContact O-N 3.15Å; V234-V237 PolarHBondContact O-N 2.97Å; V237-V239 VanDerWaalsContact C-N 3.26Å; V237-V239 PolarHBondContact O-N 3.4Å; V237-A240 PolarHBondContact O-N 3.16Å; V237-H241 PolarHBondContact O-CD2 2.7Å; V237-H241 PolarHBondContact O-N 3.39Å |
| 238 | D | 73.4 | Confident | 67.7 | Low | 66 Ų | 66 | 89.6 Ų | 89.6 | 35% | 0.353 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -55.5 | -41.3 | 174.2 | -79.8 | -34.6 | 0 | 0 | 0 | 112.4 | V234 K235 H242 | V234-D238 PolarHBondContact O-N 3.05Å; K235-D238 IonicContact NZ-OD2 3.92Å; K235-D238 PolarHBondContact NZ-OD2 2.87Å; D238-H242 WeakPolarHBondContact O-CB 3.43Å; D238-H242 PolarHBondContact O-N 3.45Å; D238-H242 PolarHBondContact O-ND1 3.25Å |
| 239 | V | 69.6 | Low | 66.7 | Low | 75 Ų | 75 | 93.4 Ų | 93.4 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -73.6 | -40.8 | -178.6 | 168.5 | 0 | 0 | 0 | 0 | 110.9 | F211 K235 L236 V237 H242 F243 | F211-V239 HydrophobicContact CE1-CG1 3.99Å; F211-V239 HydrophobicContact CZ-CG1 3.98Å; K235-V239 WeakPolarHBondContact O-CB 3.41Å; K235-V239 WeakPolarHBondContact O-CG2 3.3Å; K235-V239 PolarHBondContact O-N 3.45Å; L236-V239 PolarHBondContact O-N 2.9Å; V237-V239 VanDerWaalsContact C-N 3.26Å; V237-V239 PolarHBondContact O-N 3.4Å; V239-H242 PolarHBondContact O-N 2.86Å; V239-F243 PolarHBondContact O-N 3.17Å |
| 240 | A | 69 | Low | 65.5 | Low | 11 Ų | 11 | 94.3 Ų | 94.3 | 9% | 0.091 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -60.9 | -48.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F211 L236 V237 H242 F243 H244 | F211-A240 HydrophobicContact CB-CB 4.5Å; F211-A240 HydrophobicContact CD1-CB 4.06Å; F211-A240 HydrophobicContact CD2-CB 3.81Å; F211-A240 HydrophobicContact CE1-CB 4.22Å; F211-A240 HydrophobicContact CE2-CB 3.98Å; F211-A240 HydrophobicContact CG-CB 3.86Å; F211-A240 HydrophobicContact CZ-CB 4.18Å; L236-A240 PolarHBondContact O-N 3.41Å; V237-A240 PolarHBondContact O-N 3.16Å; A240-H242 PolarHBondContact O-N 3.09Å; A240-F243 WeakPolarHBondContact O-CB 3.25Å; A240-F243 PolarHBondContact O-N 2.9Å; A240-H244 PolarHBondContact O-N 3.49Å |
| 241 | H | 71.8 | Confident | 64.2 | Low | 132 Ų | 132 | 102.5 Ų | 102.5 | 61% | 0.611 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.8 | -38.5 | 174.4 | -82.7 | -64.4 | 0 | 0 | 0 | 112.9 | V237 F243 H244 G245 | V237-H241 PolarHBondContact O-CD2 2.7Å; V237-H241 PolarHBondContact O-N 3.39Å; H241-F243 PolarHBondContact O-N 3.12Å; H241-H244 PolarHBondContact O-N 2.84Å; H241-G245 PolarHBondContact O-N 3.05Å |
| 242 | H | 67.6 | Low | 63.2 | Low | 141 Ų | 141 | 97.3 Ų | 97.3 | 65% | 0.653 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.8 | -33.4 | 172.3 | -106.4 | 81.5 | 0 | 0 | 0 | 112.6 | D238 V239 A240 S246 | D238-H242 WeakPolarHBondContact O-CB 3.43Å; D238-H242 PolarHBondContact O-N 3.45Å; D238-H242 PolarHBondContact O-ND1 3.25Å; V239-H242 PolarHBondContact O-N 2.86Å; A240-H242 PolarHBondContact O-N 3.09Å; H242-S246 WeakPolarHBondContact O-CB 3.44Å; H242-S246 PolarHBondContact O-N 3.36Å; H242-S246 PolarHBondContact O-OG 2.78Å |
| 243 | F | 66.6 | Low | 62.6 | Low | 119 Ų | 119 | 99.7 Ų | 99.7 | 52% | 0.522 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.9 | -50.4 | 177.3 | -134.5 | -97.2 | 0 | 0 | 0 | 111 | V239 A240 H241 G245 S246 | V239-F243 PolarHBondContact O-N 3.17Å; A240-F243 WeakPolarHBondContact O-CB 3.25Å; A240-F243 PolarHBondContact O-N 2.9Å; H241-F243 PolarHBondContact O-N 3.12Å; F243-G245 PolarHBondContact O-N 2.84Å; F243-S246 PolarHBondContact O-N 3.47Å |
| 244 | H | 64.2 | Low | 62.3 | Low | 60 Ų | 60 | 95.4 Ų | 95.4 | 28% | 0.278 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.2 | -47.9 | 176 | -80.3 | 128.9 | 0 | 0 | 0 | 113 | D204 D208 A240 H241 S246 | D204-H244 VanDerWaalsContact CA-NE2 3.35Å; D204-H244 WeakPolarHBondContact CA-NE2 3.4Å; D204-H244 WeakPolarHBondContact CB-NE2 3.49Å; D204-H244 IonicContact OD1-CD2 3.12Å; D204-H244 PolarHBondContact OD1-CD2 3.25Å; D204-H244 VanDerWaalsContact OD1-CD2 3.27Å; D204-H244 IonicContact OD1-NE2 2.93Å; D208-H244 IonicContact OD1-CE1 3.52Å; D208-H244 PolarHBondContact OD1-CE1 2.89Å; D208-H244 IonicContact OD2-CE1 2.63Å; A240-H244 PolarHBondContact O-N 3.49Å; H241-H244 PolarHBondContact O-N 2.84Å; H244-S246 PolarHBondContact O-N 3.01Å |
| 245 | G | 56.8 | Low | 62 | Low | 69 Ų | 69 | 94.4 Ų | 94.4 | 71% | 0.711 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -69.4 | -15.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | H241 F243 Q247 | H241-G245 PolarHBondContact O-N 3.05Å; F243-G245 PolarHBondContact O-N 2.84Å; G245-Q247 PolarHBondContact O-N 2.9Å |
| 246 | S | 51.3 | Low | 61.7 | Low | 62 Ų | 62 | 95.4 Ų | 95.4 | 43% | 0.434 | 50% | 0.495 | S | S | . | . | trans | -95.7 | 90.8 | -172.7 | -69.2 | 0 | 0 | 0 | 0 | 112.8 | H242 F243 H244 V248 | H242-S246 WeakPolarHBondContact O-CB 3.44Å; H242-S246 PolarHBondContact O-N 3.36Å; H242-S246 PolarHBondContact O-OG 2.78Å; F243-S246 PolarHBondContact O-N 3.47Å; H244-S246 PolarHBondContact O-N 3.01Å; S246-V248 WeakPolarHBondContact O-CG2 3.35Å; S246-V248 PolarHBondContact O-N 3.43Å | ||
| 247 | Q | 44.9 | Very low | 61.8 | Low | 165 Ų | 165 | 100.6 Ų | 100.6 | 77% | 0.771 | 52% | 0.516 | S | S | * | . | trans | -51.2 | 109.9 | 163.7 | -82.2 | -165.7 | -9.3 | 0 | 0 | 110.5 | G245 R249 | G245-Q247 PolarHBondContact O-N 2.9Å; Q247-R249 VanDerWaalsContact C-N 3.3Å; Q247-R249 PolarHBondContact O-N 2.66Å | ||
| 248 | V | 47 | Very low | 61.8 | Low | 115 Ų | 115 | 97.2 Ų | 97.2 | 70% | 0.697 | 50% | 0.495 | S | S | * | . | trans | -72.1 | 82.2 | -172.2 | -173.9 | 0 | 0 | 0 | 0 | 110.8 | S246 Q250 | S246-V248 WeakPolarHBondContact O-CG2 3.35Å; S246-V248 PolarHBondContact O-N 3.43Å; V248-Q250 VanDerWaalsContact C-N 3.28Å; V248-Q250 HydrophobicContact CG1-CG 4.49Å; V248-Q250 PolarHBondContact O-N 3.35Å | ||
| 249 | R | 44.9 | Very low | 61.9 | Low | 190 Ų | 190 | 96.9 Ų | 96.9 | 72% | 0.717 | 49% | 0.491 | S | S | * | . | trans | -69.8 | 83 | 173.7 | -69.4 | -175.2 | 176.1 | -146.1 | -6.7 | 110.2 | Q247 R251 | Q247-R249 VanDerWaalsContact C-N 3.3Å; Q247-R249 PolarHBondContact O-N 2.66Å; R249-R251 PolarHBondContact O-N 2.93Å | ||
| 250 | Q | 45.4 | Very low | 62.3 | Low | 88 Ų | 88 | 95.6 Ų | 95.6 | 41% | 0.411 | 49% | 0.488 | S | S | . | . | trans | -50.7 | 124.8 | 177.5 | -70.7 | -162.8 | -35.4 | 0 | 0 | 111.1 | A198 V248 S252 | A198-Q250 VanDerWaalsContact CB-NE2 3.31Å; V248-Q250 VanDerWaalsContact C-N 3.28Å; V248-Q250 HydrophobicContact CG1-CG 4.49Å; V248-Q250 PolarHBondContact O-N 3.35Å; Q250-S252 PolarHBondContact O-N 3.49Å | ||
| 251 | R | 49.4 | Very low | 62.8 | Low | 253 Ų | 253 | 95.6 Ų | 95.6 | 96% | 0.955 | 49% | 0.488 | S | S | * | . | trans | -79.7 | 66.8 | 174.3 | -66.3 | -175.6 | -176.3 | 167.8 | 5.3 | 110.4 | R249 | R249-R251 PolarHBondContact O-N 2.93Š| ||
| 252 | S | 54.4 | Low | 63.2 | Low | 53 Ų | 53 | 91.1 Ų | 91.1 | 37% | 0.371 | 47% | 0.468 | S | S | . | . | trans | -74.3 | 150.9 | -177.4 | -160.4 | 0 | 0 | 0 | 0 | 112.9 | Q250 L254 F259 | Q250-S252 PolarHBondContact O-N 3.49Å; S252-L254 VanDerWaalsContact C-N 3.33Å; S252-L254 WeakPolarHBondContact OG-CB 3.42Å; S252-L254 PolarHBondContact OG-N 2.99Å; S252-F259 VanDerWaalsContact CB-CZ 3.46Å; S252-F259 WeakPolarHBondContact OG-CZ 3.37Å | ||
| 253 | I | 62 | Low | 63.7 | Low | 116 Ų | 116 | 91 Ų | 91 | 60% | 0.595 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -78.8 | -26.5 | 163.8 | -63.6 | 171.2 | 0 | 0 | 0 | 109.7 | ||
| 254 | L | 67.6 | Low | 64.4 | Low | 12 Ų | 12 | 90.6 Ų | 90.6 | 6% | 0.063 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -71.5 | 132.1 | 179.8 | -58.4 | -176.3 | 0 | 0 | 0 | 111.1 | F165 A188 L191 S252 H258 F259 L262 | F165-L254 HydrophobicContact CZ-CD2 4.33Å; A188-L254 HydrophobicContact CB-CD1 4.29Å; A188-L254 HydrophobicContact CB-CD2 4.01Å; L191-L254 HydrophobicContact CD1-CD2 3.72Å; L191-L254 HydrophobicContact CD1-CG 4.23Å; S252-L254 VanDerWaalsContact C-N 3.33Å; S252-L254 WeakPolarHBondContact OG-CB 3.42Å; S252-L254 PolarHBondContact OG-N 2.99Å; L254-H258 HydrophobicContact CB-CB 3.72Å; L254-H258 HydrophobicContact CD2-CB 4Å; L254-H258 HydrophobicContact CG-CB 4.29Å; L254-F259 HydrophobicContact CB-CD2 4.17Å; L254-F259 HydrophobicContact CB-CE2 3.93Å; L254-F259 HydrophobicContact CB-CZ 4.31Å; L254-F259 WeakPolarHBondContact O-CE2 3.42Å; L254-L262 HydrophobicContact CD1-CD1 3.76Å |
| 255 | T | 70 | Confident | 65.2 | Low | 61 Ų | 61 | 87.9 Ų | 87.9 | 37% | 0.374 | 46% | 0.457 | S | S | . | . | trans | -78.3 | 166.1 | 173.6 | 74.3 | 0 | 0 | 0 | 0 | 110.8 | K257 H258 F259 | T255-K257 PolarHBondContact O-N 2.95Å; T255-K257 VanDerWaalsContact O-N 3.08Å; T255-K257 PolarHBondContact OG1-N 3.33Å; T255-H258 PolarHBondContact N-ND1 2.9Å; T255-H258 WeakPolarHBondContact O-CA 3.15Å; T255-H258 WeakPolarHBondContact O-CB 3.36Å; T255-H258 PolarHBondContact O-N 3.49Å; T255-H258 PolarHBondContact OG1-ND1 3.44Å; T255-F259 WeakPolarHBondContact O-CD2 3.32Å; T255-F259 PolarHBondContact O-N 2.79Å; T255-F259 VanDerWaalsContact O-N 3.12Å | ||
| 256 | P | 68.7 | Low | 66.2 | Low | 111 Ų | 111 | 91.8 Ų | 91.8 | 72% | 0.721 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -54 | -29.6 | 174.8 | -29 | 37.1 | 0 | 0 | 0 | 114.3 | F259 A260 | P256-F259 PolarHBondContact O-N 3.32Å; P256-A260 WeakPolarHBondContact O-CB 3.41Å; P256-A260 PolarHBondContact O-N 3.21Å |
| 257 | K | 74.9 | Confident | 67.5 | Low | 138 Ų | 138 | 93.5 Ų | 93.5 | 60% | 0.6 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.7 | -38.4 | 173.3 | -65.7 | -169.4 | 176.6 | -173.1 | 0 | 112.7 | F184 T255 A261 | F184-K257 HydrophobicContact CD2-CB 4.27Å; F184-K257 HydrophobicContact CE2-CB 4.38Å; F184-K257 HydrophobicContact CE2-CD 3.91Å; F184-K257 HydrophobicContact CG-CB 4.38Å; F184-K257 HydrophobicContact CZ-CD 3.9Å; T255-K257 PolarHBondContact O-N 2.95Å; T255-K257 VanDerWaalsContact O-N 3.08Å; T255-K257 PolarHBondContact OG1-N 3.33Å; K257-A261 VanDerWaalsContact O-CB 3.25Å; K257-A261 WeakPolarHBondContact O-CB 3.07Å; K257-A261 PolarHBondContact O-N 3.27Å |
| 258 | H | 79.1 | Confident | 69.2 | Low | 4 Ų | 4 | 90.8 Ų | 90.8 | 2% | 0.019 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -70.4 | -38 | 175.4 | -66.6 | 80.6 | 0 | 0 | 0 | 112 | F165 F184 E187 A188 L254 T255 A261 L262 | F165-H258 AromaticContact CE2-CE1 3.58Å; F165-H258 AromaticContact CE2-NE2 3.29Å; F165-H258 VanDerWaalsContact CE2-NE2 3.29Å; F165-H258 WeakPolarHBondContact CE2-NE2 3.44Å; F165-H258 AromaticContact CZ-CD2 3.96Å; F165-H258 AromaticContact CZ-CE1 3.86Å; F165-H258 AromaticContact CZ-NE2 3.24Å; F165-H258 WeakPolarHBondContact CZ-NE2 3.42Å; F184-H258 AromaticContact CD1-CE1 3.62Å; F184-H258 AromaticContact CD1-NE2 3.9Å; F184-H258 PolarHBondContact O-CD2 3.3Å; F184-H258 VanDerWaalsContact O-CD2 3.31Å; E187-H258 WeakPolarHBondContact CB-NE2 3.48Å; E187-H258 IonicContact OE2-CE1 3.63Å; E187-H258 IonicContact OE2-NE2 2.78Å; E187-H258 PolarHBondContact OE2-NE2 3.03Å; A188-H258 HydrophobicContact CB-CB 4.45Å; L254-H258 HydrophobicContact CB-CB 3.72Å; L254-H258 HydrophobicContact CD2-CB 4Å; L254-H258 HydrophobicContact CG-CB 4.29Å; T255-H258 PolarHBondContact N-ND1 2.9Å; T255-H258 WeakPolarHBondContact O-CA 3.15Å; T255-H258 WeakPolarHBondContact O-CB 3.36Å; T255-H258 PolarHBondContact O-N 3.49Å; T255-H258 PolarHBondContact OG1-ND1 3.44Å; H258-A261 WeakPolarHBondContact O-CB 3.15Å; H258-A261 PolarHBondContact O-N 3.06Å; H258-L262 WeakPolarHBondContact O-CG 3.2Å; H258-L262 PolarHBondContact O-N 2.58Å |
| 259 | F | 75.1 | Confident | 70.8 | Confident | 60 Ų | 60 | 90.3 Ų | 90.3 | 26% | 0.263 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 174.2 | -78.2 | -72.5 | 0 | 0 | 0 | 112.1 | V197 S252 L254 T255 P256 L262 K263 | V197-F259 HydrophobicContact CB-CE1 4.44Å; V197-F259 HydrophobicContact CG1-CD1 4.19Å; V197-F259 HydrophobicContact CG1-CE1 3.98Å; V197-F259 HydrophobicContact CG2-CD1 3.8Å; V197-F259 HydrophobicContact CG2-CE1 3.79Å; S252-F259 VanDerWaalsContact CB-CZ 3.46Å; S252-F259 WeakPolarHBondContact OG-CZ 3.37Å; L254-F259 HydrophobicContact CB-CD2 4.17Å; L254-F259 HydrophobicContact CB-CE2 3.93Å; L254-F259 HydrophobicContact CB-CZ 4.31Å; L254-F259 WeakPolarHBondContact O-CE2 3.42Å; T255-F259 WeakPolarHBondContact O-CD2 3.32Å; T255-F259 PolarHBondContact O-N 2.79Å; T255-F259 VanDerWaalsContact O-N 3.12Å; P256-F259 PolarHBondContact O-N 3.32Å; F259-L262 PolarHBondContact O-N 3.47Å; F259-K263 WeakPolarHBondContact O-CB 3.38Å; F259-K263 PolarHBondContact O-N 3.32Å |
| 260 | A | 76.7 | Confident | 72.9 | Confident | 48 Ų | 48 | 84.4 Ų | 84.4 | 40% | 0.397 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P256 K263 N264 | P256-A260 WeakPolarHBondContact O-CB 3.41Å; P256-A260 PolarHBondContact O-N 3.21Å; A260-K263 PolarHBondContact O-N 3.11Å; A260-N264 WeakPolarHBondContact O-CB 3.11Å; A260-N264 PolarHBondContact O-N 3.17Å; A260-N264 PolarHBondContact O-OD1 3.04Å |
| 261 | A | 80.4 | Confident | 75 | Confident | 11 Ų | 11 | 80.8 Ų | 80.8 | 9% | 0.091 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -54.5 | -53.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F184 E185 K257 H258 K263 N264 L265 | F184-A261 HydrophobicContact CB-CB 4.19Å; E185-A261 HydrophobicContact CG-CB 3.69Å; K257-A261 VanDerWaalsContact O-CB 3.25Å; K257-A261 WeakPolarHBondContact O-CB 3.07Å; K257-A261 PolarHBondContact O-N 3.27Å; H258-A261 WeakPolarHBondContact O-CB 3.15Å; H258-A261 PolarHBondContact O-N 3.06Å; A261-K263 VanDerWaalsContact C-N 3.32Å; A261-K263 PolarHBondContact O-N 3.02Å; A261-N264 PolarHBondContact O-N 2.87Å; A261-L265 WeakPolarHBondContact O-CB 3.39Å; A261-L265 PolarHBondContact O-N 2.92Å |
| 262 | L | 81 | Confident | 76.7 | Confident | 37 Ų | 37 | 70.1 Ų | 70.1 | 19% | 0.194 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.9 | -38 | 176.7 | -73.6 | 178.4 | 0 | 0 | 0 | 112.7 | A188 L189 V197 L254 H258 F259 L265 Q266 | A188-L262 HydrophobicContact CB-CD1 4.02Å; A188-L262 HydrophobicContact CB-CD2 3.86Å; A188-L262 HydrophobicContact CB-CG 3.84Å; L189-L262 HydrophobicContact CD2-CD2 4.38Å; V197-L262 HydrophobicContact CG2-CD1 4.04Å; L254-L262 HydrophobicContact CD1-CD1 3.76Å; H258-L262 WeakPolarHBondContact O-CG 3.2Å; H258-L262 PolarHBondContact O-N 2.58Å; F259-L262 PolarHBondContact O-N 3.47Å; L262-L265 PolarHBondContact O-N 3.23Å; L262-Q266 WeakPolarHBondContact O-CB 3.44Å; L262-Q266 PolarHBondContact O-N 3.28Å |
| 263 | K | 77.3 | Confident | 78.2 | Confident | 140 Ų | 140 | 70.3 Ų | 70.3 | 61% | 0.609 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -68.3 | -41.7 | 177.4 | -168 | -176.7 | 179.2 | -169.2 | 0 | 111.7 | F259 A260 A261 L265 Q266 C267 | F259-K263 WeakPolarHBondContact O-CB 3.38Å; F259-K263 PolarHBondContact O-N 3.32Å; A260-K263 PolarHBondContact O-N 3.11Å; A261-K263 VanDerWaalsContact C-N 3.32Å; A261-K263 PolarHBondContact O-N 3.02Å; K263-L265 VanDerWaalsContact C-N 3.33Å; K263-Q266 PolarHBondContact O-N 3.43Å; K263-C267 PolarHBondContact O-N 2.75Å; K263-C267 PolarHBondContact O-SG 3.33Å |
| 264 | N | 80.7 | Confident | 79.4 | Confident | 109 Ų | 109 | 65.6 Ų | 65.6 | 58% | 0.583 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.2 | -44.2 | 174.4 | -68.8 | 1.2 | 0 | 0 | 0 | 110.5 | A260 A261 Q266 C267 | A260-N264 WeakPolarHBondContact O-CB 3.11Å; A260-N264 PolarHBondContact O-N 3.17Å; A260-N264 PolarHBondContact O-OD1 3.04Å; A261-N264 PolarHBondContact O-N 2.87Å; N264-Q266 VanDerWaalsContact C-N 3.33Å; N264-Q266 PolarHBondContact O-N 3.27Å; N264-C267 PolarHBondContact O-N 2.78Å |
| 265 | L | 81.5 | Confident | 80.3 | Confident | 3 Ų | 3 | 71.6 Ų | 71.6 | 2% | 0.016 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.7 | -34.4 | 176.7 | -160.4 | 74.6 | 0 | 0 | 0 | 112.4 | L181 L189 A261 L262 K263 C267 R268 I271 I273 | L181-L265 HydrophobicContact CD2-CD1 3.85Å; L189-L265 HydrophobicContact CD1-CD2 3.91Å; L189-L265 HydrophobicContact CD2-CD2 4.1Å; L189-L265 HydrophobicContact CG-CD2 4.38Å; A261-L265 WeakPolarHBondContact O-CB 3.39Å; A261-L265 PolarHBondContact O-N 2.92Å; L262-L265 PolarHBondContact O-N 3.23Å; K263-L265 VanDerWaalsContact C-N 3.33Å; L265-C267 VanDerWaalsContact C-N 3.35Å; L265-R268 WeakPolarHBondContact O-CB 3.24Å; L265-R268 PolarHBondContact O-N 3.1Å; L265-I271 HydrophobicContact CD1-CD1 3.65Å; L265-I271 HydrophobicContact CG-CD1 4.07Å; L265-I273 HydrophobicContact CD2-CD1 3.73Å; L265-I273 HydrophobicContact CG-CD1 3.95Å |
| 266 | Q | 77.5 | Confident | 80.9 | Confident | 151 Ų | 151 | 69.2 Ų | 69.2 | 71% | 0.706 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -70.4 | -27.2 | 173.9 | -174.6 | 179.3 | 13.2 | 0 | 0 | 113.1 | L262 K263 N264 R268 | L262-Q266 WeakPolarHBondContact O-CB 3.44Å; L262-Q266 PolarHBondContact O-N 3.28Å; K263-Q266 PolarHBondContact O-N 3.43Å; N264-Q266 VanDerWaalsContact C-N 3.33Å; N264-Q266 PolarHBondContact O-N 3.27Å; Q266-R268 PolarHBondContact O-N 2.86Å |
| 267 | C | 78.1 | Confident | 81.4 | Confident | 98 Ų | 98 | 65.1 Ų | 65.1 | 66% | 0.662 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -0.3 | 176.9 | -62.3 | 0 | 0 | 0 | 0 | 113.3 | K263 N264 L265 | K263-C267 PolarHBondContact O-N 2.75Å; K263-C267 PolarHBondContact O-SG 3.33Å; N264-C267 PolarHBondContact O-N 2.78Å; L265-C267 VanDerWaalsContact C-N 3.35Å |
| 268 | R | 81.6 | Confident | 81.2 | Confident | 108 Ų | 108 | 63.5 Ų | 63.5 | 41% | 0.408 | 33% | 0.325 | S | S | . | . | trans | -88.2 | 120.6 | 177.8 | -68 | -163.7 | 76.1 | 113.8 | -1.4 | 111.6 | L265 Q266 D270 I271 | L265-R268 WeakPolarHBondContact O-CB 3.24Å; L265-R268 PolarHBondContact O-N 3.1Å; Q266-R268 PolarHBondContact O-N 2.86Å; R268-D270 WeakPolarHBondContact CB-OD1 3.31Å; R268-D270 IonicContact CZ-OD1 3.34Å; R268-D270 IonicContact CZ-OD2 3.13Å; R268-D270 IonicContact NE-OD1 2.68Å; R268-D270 PolarHBondContact NE-OD1 2.79Å; R268-D270 IonicContact NE-OD2 2.63Å; R268-D270 VanDerWaalsContact NH2-CG 3.35Å; R268-D270 IonicContact NH2-OD1 3.52Å; R268-D270 PolarHBondContact NH2-OD1 3Å; R268-D270 IonicContact NH2-OD2 2.86Å; R268-D270 PolarHBondContact NH2-OD2 3.46Å; R268-I271 HydrophobicContact CB-CD1 4.07Å; R268-I271 HydrophobicContact CB-CG1 3.79Å | ||
| 269 | S | 81.3 | Confident | 80.6 | Confident | 106 Ų | 106 | 66.5 Ų | 66.5 | 74% | 0.741 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -90.4 | -10.9 | 174.4 | 50.5 | 0 | 0 | 0 | 0 | 114 | ||
| 270 | D | 88 | Confident | 80.4 | Confident | 65 Ų | 65 | 68.6 Ų | 68.6 | 35% | 0.348 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -86 | -9.4 | -176 | 67.8 | -54.1 | 0 | 0 | 0 | 114.3 | R268 K287 | R268-D270 WeakPolarHBondContact CB-OD1 3.31Å; R268-D270 IonicContact CZ-OD1 3.34Å; R268-D270 IonicContact CZ-OD2 3.13Å; R268-D270 IonicContact NE-OD1 2.68Å; R268-D270 PolarHBondContact NE-OD1 2.79Å; R268-D270 IonicContact NE-OD2 2.63Å; R268-D270 VanDerWaalsContact NH2-CG 3.35Å; R268-D270 IonicContact NH2-OD1 3.52Å; R268-D270 PolarHBondContact NH2-OD1 3Å; R268-D270 IonicContact NH2-OD2 2.86Å; R268-D270 PolarHBondContact NH2-OD2 3.46Å; D270-K287 WeakPolarHBondContact O-CB 3.4Å; D270-K287 PolarHBondContact O-N 2.95Å |
| 271 | I | 89.1 | Confident | 80.5 | Confident | 12 Ų | 12 | 67.1 Ų | 67.1 | 6% | 0.062 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 156 | 179.7 | 57.3 | 169.6 | 0 | 0 | 0 | 111.8 | V179 L265 R268 V284 I285 | V179-I271 HydrophobicContact CG2-CG2 3.76Å; L265-I271 HydrophobicContact CD1-CD1 3.65Å; L265-I271 HydrophobicContact CG-CD1 4.07Å; R268-I271 HydrophobicContact CB-CD1 4.07Å; R268-I271 HydrophobicContact CB-CG1 3.79Å; I271-V284 HydrophobicContact CB-CG1 4.2Å; I271-V284 HydrophobicContact CD1-CG1 3.92Å; I271-V284 HydrophobicContact CG2-CG1 4.44Å; I271-I285 CarbonylContact C-O 3.58Å; I271-I285 VanDerWaalsContact CA-O 3.31Å; I271-I285 WeakPolarHBondContact CA-O 3.37Å |
| 272 | V | 84.8 | Confident | 80.7 | Confident | 29 Ų | 29 | 66.7 Ų | 66.7 | 18% | 0.176 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.8 | 171.6 | -166.3 | 0 | 0 | 0 | 0 | 108.9 | L274 I285 K287 Y290 | V272-L274 HydrophobicContact CB-CG 4.42Å; V272-L274 HydrophobicContact CG1-CD1 4.25Å; V272-L274 HydrophobicContact CG1-CD2 3.66Å; V272-L274 HydrophobicContact CG1-CG 3.79Å; V272-I285 HydrophobicContact CB-CG2 4.1Å; V272-I285 PolarHBondContact N-O 3.5Å; V272-I285 PolarHBondContact O-N 3.26Å; V272-K287 HydrophobicContact CG2-CB 3.81Å; V272-K287 HydrophobicContact CG2-CD 4.4Å; V272-K287 HydrophobicContact CG2-CG 3.83Å; V272-Y290 HydrophobicContact CG2-CD1 4.07Å; V272-Y290 HydrophobicContact CG2-CG 4.36Å |
| 273 | I | 87.5 | Confident | 81 | Confident | 57 Ų | 57 | 65 Ų | 65 | 29% | 0.292 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 105.4 | -177.4 | -52.7 | 176.6 | 0 | 0 | 0 | 108.2 | F193 L265 V282 | F193-I273 HydrophobicContact CE1-CG2 4.21Å; F193-I273 HydrophobicContact CZ-CG2 3.93Å; L265-I273 HydrophobicContact CD2-CD1 3.73Å; L265-I273 HydrophobicContact CG-CD1 3.95Å; I273-V282 HydrophobicContact CG2-CG1 3.45Å; I273-V282 VanDerWaalsContact CG2-CG1 3.45Å |
| 274 | L | 86.3 | Confident | 81.6 | Confident | 18 Ų | 18 | 58.3 Ų | 58.3 | 9% | 0.094 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 156.7 | -168.3 | -63.4 | 172.6 | 0 | 0 | 0 | 112.5 | F193 V272 V283 I285 Y290 P356 | F193-L274 WeakPolarHBondContact CE2-O 3.35Å; F193-L274 VanDerWaalsContact CZ-C 3.43Å; F193-L274 WeakPolarHBondContact CZ-O 3.24Å; V272-L274 HydrophobicContact CB-CG 4.42Å; V272-L274 HydrophobicContact CG1-CD1 4.25Å; V272-L274 HydrophobicContact CG1-CD2 3.66Å; V272-L274 HydrophobicContact CG1-CG 3.79Å; L274-V283 PolarHBondContact N-O 3.41Å; L274-V283 PolarHBondContact O-N 3.44Å; L274-I285 HydrophobicContact CD1-CG2 3.94Å; L274-Y290 HydrophobicContact CD1-CD2 3.62Å; L274-Y290 HydrophobicContact CD1-CE2 3.57Å; L274-P356 HydrophobicContact CB-CG 4.23Å; L274-P356 HydrophobicContact CD1-CG 3.77Å |
| 275 | R | 86.2 | Confident | 82.1 | Confident | 138 Ų | 138 | 53.1 Ų | 53.1 | 52% | 0.521 | 30% | 0.299 | S | S | . | . | trans | -79.5 | 140.2 | 163 | -68.9 | 177.2 | -178.2 | -168.9 | -1.1 | 108.6 | F193 L355 P356 | F193-R275 HydrophobicContact CD2-CG 3.43Å; F193-R275 VanDerWaalsContact CD2-CG 3.43Å; F193-R275 HydrophobicContact CE2-CB 4.26Å; F193-R275 HydrophobicContact CE2-CG 3.39Å; F193-R275 HydrophobicContact CG-CG 4.1Å; F193-R275 HydrophobicContact CZ-CG 4.02Å; R275-L355 HydrophobicContact CB-CD2 4.49Å; R275-L355 WeakPolarHBondContact O-CD2 3.42Å; R275-P356 WeakPolarHBondContact O-CD 3.44Å | ||
| 276 | P | 82.8 | Confident | 82.7 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 7% | 0.065 | 31% | 0.308 | C | S | . | . | trans | -67.9 | 154.1 | 170.3 | 30.2 | -34.2 | 0 | 0 | 0 | 110.8 | K278 G281 V283 I358 | P276-K278 PolarHBondContact O-N 3.17Å; P276-G281 VanDerWaalsContact CD-O 3.23Å; P276-G281 WeakPolarHBondContact CD-O 3.46Å; P276-V283 HydrophobicContact CB-CG2 3.8Å; P276-V283 HydrophobicContact CG-CG2 4.41Å; P276-I358 HydrophobicContact CB-CD1 3.68Å; P276-I358 HydrophobicContact CB-CG1 3.88Å; P276-I358 HydrophobicContact CB-CG2 4.45Å; P276-I358 HydrophobicContact CG-CD1 4.34Å | ||
| 277 | D | 79.8 | Confident | 83.3 | Confident | 25 Ų | 25 | 50.6 Ų | 50.6 | 13% | 0.134 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -58.8 | -33 | 175.9 | 177.9 | 76.8 | 0 | 0 | 0 | 113.1 | L355 P356 K357 H359 R366 | D277-L355 HydrophobicContact CB-CB 4.27Å; D277-P356 WeakPolarHBondContact CB-O 3.3Å; D277-P356 PolarHBondContact N-O 3.46Å; D277-K357 HydrophobicContact CB-CB 4.39Å; D277-K357 HydrophobicContact CB-CG 3.81Å; D277-H359 IonicContact OD2-CE1 2.7Å; D277-H359 PolarHBondContact OD2-CE1 2.85Å; D277-R366 VanDerWaalsContact CG-NH1 3.29Å; D277-R366 WeakPolarHBondContact OD1-CB 3.39Å; D277-R366 WeakPolarHBondContact OD1-CD 3.38Å; D277-R366 IonicContact OD1-CZ 3.45Å; D277-R366 IonicContact OD1-NE 2.76Å; D277-R366 IonicContact OD1-NH1 3.3Å; D277-R366 PolarHBondContact OD1-NH1 2.82Å; D277-R366 IonicContact OD2-NH1 2.81Å; D277-R366 PolarHBondContact OD2-NH1 3.45Å; D277-R366 VanDerWaalsContact OD2-NH1 3.11Å |
| 278 | K | 69.9 | Low | 83.8 | Confident | 104 Ų | 104 | 50.3 Ų | 50.3 | 45% | 0.452 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -132 | 130.4 | 172.7 | -63 | -169.7 | -178.4 | -170.9 | 0 | 110.3 | P276 | P276-K278 PolarHBondContact O-N 3.17Š|
| 279 | G | 67.3 | Low | 84.2 | Confident | 68 Ų | 68 | 48.1 Ų | 48.1 | 70% | 0.701 | 28% | 0.28 | S | S | * | . | S | Bend | trans | 103.4 | 176.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 280 | S | 69.8 | Low | 84.8 | Confident | 104 Ų | 104 | 43.6 Ų | 43.6 | 73% | 0.727 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -107.3 | 24.6 | -173.7 | 72.8 | 0 | 0 | 0 | 0 | 114 | ||
| 281 | G | 78.7 | Confident | 84.9 | Confident | 16 Ų | 16 | 44.5 Ų | 44.5 | 17% | 0.165 | 25% | 0.248 | C | C | . | . | trans | -83.2 | -172.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y172 P276 | Y172-G281 CarbonylContact O-C 3.59Å; Y172-G281 VanDerWaalsContact O-CA 3.23Å; Y172-G281 WeakPolarHBondContact O-CA 3.43Å; P276-G281 VanDerWaalsContact CD-O 3.23Å; P276-G281 WeakPolarHBondContact CD-O 3.46Å | ||
| 282 | V | 85.6 | Confident | 85 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 135.3 | 167.6 | -173.1 | 0 | 0 | 0 | 0 | 109 | Y172 S174 L189 F193 I273 V284 | Y172-V282 PolarHBondContact O-N 2.8Å; S174-V282 PolarHBondContact N-O 3.23Å; L189-V282 HydrophobicContact CD2-CG1 4.12Å; L189-V282 WeakPolarHBondContact O-CG2 3.44Å; F193-V282 HydrophobicContact CD2-CG2 4Å; F193-V282 HydrophobicContact CE2-CB 4.16Å; F193-V282 HydrophobicContact CE2-CG1 3.84Å; F193-V282 HydrophobicContact CE2-CG2 3.82Å; F193-V282 HydrophobicContact CZ-CG1 3.95Å; I273-V282 HydrophobicContact CG2-CG1 3.45Å; I273-V282 VanDerWaalsContact CG2-CG1 3.45Å; V282-V284 HydrophobicContact CG1-CG2 4.48Å |
| 283 | V | 87.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 132.7 | 171.8 | -172.1 | 0 | 0 | 0 | 0 | 108.1 | S174 L176 L274 P276 P356 I358 | S174-V283 WeakPolarHBondContact O-CA 3.31Å; L176-V283 HydrophobicContact CD1-CG1 3.59Å; L176-V283 HydrophobicContact CG-CG1 4.01Å; L274-V283 PolarHBondContact N-O 3.41Å; L274-V283 PolarHBondContact O-N 3.44Å; P276-V283 HydrophobicContact CB-CG2 3.8Å; P276-V283 HydrophobicContact CG-CG2 4.41Å; V283-P356 HydrophobicContact CB-CG 4.34Å; V283-P356 HydrophobicContact CG1-CB 4.2Å; V283-P356 HydrophobicContact CG1-CG 4.06Å; V283-P356 HydrophobicContact CG2-CB 4.43Å; V283-I358 HydrophobicContact CG1-CG2 4.46Å; V283-I358 HydrophobicContact CG2-CG2 3.75Å |
| 284 | V | 89.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 122.4 | 171.7 | -172.8 | 0 | 0 | 0 | 0 | 107.4 | S174 L176 S177 L181 L189 I271 V282 | S174-V284 PolarHBondContact O-N 2.87Å; S174-V284 VanDerWaalsContact O-N 3.1Å; L176-V284 CarbonylContact C-O 3.52Å; L176-V284 WeakPolarHBondContact CA-O 3.49Å; L176-V284 WeakPolarHBondContact CB-O 3.15Å; L176-V284 PolarHBondContact N-O 3.48Å; S177-V284 PolarHBondContact N-O 2.98Å; L181-V284 HydrophobicContact CD1-CG2 4.33Å; L189-V284 HydrophobicContact CD1-CG2 4.32Å; I271-V284 HydrophobicContact CB-CG1 4.2Å; I271-V284 HydrophobicContact CD1-CG1 3.92Å; I271-V284 HydrophobicContact CG2-CG1 4.44Å; V282-V284 HydrophobicContact CG1-CG2 4.48Å |
| 285 | I | 91.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 153 | -174.8 | -169.5 | 169 | 0 | 0 | 0 | 109.8 | L176 I271 V272 L274 E289 | L176-I285 HydrophobicContact CB-CB 4.49Å; L176-I285 HydrophobicContact CB-CG1 4.46Å; I271-I285 CarbonylContact C-O 3.58Å; I271-I285 VanDerWaalsContact CA-O 3.31Å; I271-I285 WeakPolarHBondContact CA-O 3.37Å; V272-I285 HydrophobicContact CB-CG2 4.1Å; V272-I285 PolarHBondContact N-O 3.5Å; V272-I285 PolarHBondContact O-N 3.26Å; L274-I285 HydrophobicContact CD1-CG2 3.94Å; I285-E289 HydrophobicContact CG1-CB 4.5Å; I285-E289 WeakPolarHBondContact CG1-OE2 3.37Å |
| 286 | N | 92.4 | Very high | 85.9 | Confident | 35 Ų | 35 | 47.8 Ų | 47.8 | 19% | 0.187 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 138.8 | 174.3 | -73.2 | -2.6 | 0 | 0 | 0 | 110.1 | S177 T178 C288 E289 Y290 | S177-N286 WeakPolarHBondContact CA-OD1 3.27Å; S177-N286 WeakPolarHBondContact CB-OD1 3.45Å; T178-N286 PolarHBondContact N-OD1 3.24Å; T178-N286 VanDerWaalsContact N-OD1 3.07Å; T178-N286 PolarHBondContact OG1-ND2 2.84Å; T178-N286 PolarHBondContact OG1-OD1 3.39Å; N286-C288 VanDerWaalsContact C-N 3.32Å; N286-C288 PolarHBondContact O-N 2.91Å; N286-E289 HydrophobicContact CB-CB 4.31Å; N286-E289 PolarHBondContact O-N 3.15Å; N286-Y290 PolarHBondContact O-N 3.34Å |
| 287 | K | 90.3 | Very high | 86.1 | Confident | 67 Ų | 67 | 49.5 Ų | 49.5 | 29% | 0.291 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.4 | -35.1 | -176.9 | -175.9 | 170.5 | 178 | 177.8 | 0 | 112.8 | D270 V272 K291 E1016 | D270-K287 WeakPolarHBondContact O-CB 3.4Å; D270-K287 PolarHBondContact O-N 2.95Å; V272-K287 HydrophobicContact CG2-CB 3.81Å; V272-K287 HydrophobicContact CG2-CD 4.4Å; V272-K287 HydrophobicContact CG2-CG 3.83Å; K287-K291 WeakPolarHBondContact O-CB 3.25Å; K287-K291 PolarHBondContact O-N 2.96Å; K287-E1016 VanDerWaalsContact CE-CD 3.43Å; K287-E1016 WeakPolarHBondContact CE-OE1 3.23Å; K287-E1016 WeakPolarHBondContact CE-OE2 3.39Å; K287-E1016 IonicContact NZ-OE1 2.62Å; K287-E1016 PolarHBondContact NZ-OE1 3.3Å; K287-E1016 IonicContact NZ-OE2 3.06Å; K287-E1016 PolarHBondContact NZ-OE2 2.78Å |
| 288 | C | 90 | Very high | 86.5 | Confident | 92 Ų | 92 | 48.8 Ų | 48.8 | 62% | 0.622 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -61.3 | -59.8 | 174.6 | -55 | 0 | 0 | 0 | 0 | 110.5 | N286 Y290 K291 D292 | N286-C288 VanDerWaalsContact C-N 3.32Å; N286-C288 PolarHBondContact O-N 2.91Å; C288-Y290 PolarHBondContact O-N 2.88Å; C288-Y290 VanDerWaalsContact O-N 3.09Å; C288-K291 CarbonylContact O-C 3.52Å; C288-K291 WeakPolarHBondContact O-CA 3.23Å; C288-K291 WeakPolarHBondContact O-CB 3.25Å; C288-K291 PolarHBondContact O-N 3.33Å; C288-D292 VanDerWaalsContact C-OD2 3.23Å; C288-D292 PolarHBondContact O-N 2.88Å; C288-D292 VanDerWaalsContact O-OD2 3.05Å |
| 289 | E | 90.2 | Very high | 87.3 | Confident | 61 Ų | 61 | 46.5 Ų | 46.5 | 29% | 0.285 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -52.4 | -39.2 | 178.6 | -168.2 | -152.6 | 149.9 | 0 | 0 | 113 | I285 N286 K293 | I285-E289 HydrophobicContact CG1-CB 4.5Å; I285-E289 WeakPolarHBondContact CG1-OE2 3.37Å; N286-E289 HydrophobicContact CB-CB 4.31Å; N286-E289 PolarHBondContact O-N 3.15Å; E289-K293 HydrophobicContact CG-CD 4.29Å; E289-K293 VanDerWaalsContact O-CB 3.3Å; E289-K293 WeakPolarHBondContact O-CB 3.25Å; E289-K293 VanDerWaalsContact O-CG 3.29Å; E289-K293 WeakPolarHBondContact O-CG 3.37Å; E289-K293 PolarHBondContact O-N 3.08Å; E289-K293 VanDerWaalsContact OE1-CE 3.29Å; E289-K293 WeakPolarHBondContact OE1-CE 3.5Å; E289-K293 IonicContact OE1-NZ 2.7Å; E289-K293 PolarHBondContact OE1-NZ 3.02Å |
| 290 | Y | 93.1 | Very high | 88.1 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 5% | 0.047 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 174 | 172 | -98.2 | 0 | 0 | 0 | 112.8 | V272 L274 N286 C288 M294 G354 L365 F1015 | V272-Y290 HydrophobicContact CG2-CD1 4.07Å; V272-Y290 HydrophobicContact CG2-CG 4.36Å; L274-Y290 HydrophobicContact CD1-CD2 3.62Å; L274-Y290 HydrophobicContact CD1-CE2 3.57Å; N286-Y290 PolarHBondContact O-N 3.34Å; C288-Y290 PolarHBondContact O-N 2.88Å; C288-Y290 VanDerWaalsContact O-N 3.09Å; Y290-M294 HydrophobicContact CE1-CG 4.33Å; Y290-M294 HydrophobicContact CE2-CG 4.2Å; Y290-M294 WeakPolarHBondContact O-CG 3.11Å; Y290-M294 PolarHBondContact O-N 2.83Å; Y290-G354 PolarHBondContact OH-N 3.48Å; Y290-L365 HydrophobicContact CD2-CD1 3.74Å; Y290-L365 HydrophobicContact CD2-CD2 4.43Å; Y290-L365 HydrophobicContact CE2-CD1 3.91Å; Y290-F1015 HydrophobicContact CE1-CE2 4.28Å |
| 291 | K | 90.1 | Very high | 88.7 | Confident | 83 Ų | 83 | 49.2 Ų | 49.2 | 36% | 0.361 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 176.3 | -173.8 | 172.6 | 179.1 | 173.4 | 0 | 111 | K287 C288 K293 M294 L295 F1015 | K287-K291 WeakPolarHBondContact O-CB 3.25Å; K287-K291 PolarHBondContact O-N 2.96Å; C288-K291 CarbonylContact O-C 3.52Å; C288-K291 WeakPolarHBondContact O-CA 3.23Å; C288-K291 WeakPolarHBondContact O-CB 3.25Å; C288-K291 PolarHBondContact O-N 3.33Å; K291-K293 PolarHBondContact O-N 2.91Å; K291-M294 PolarHBondContact O-N 3.05Å; K291-M294 VanDerWaalsContact O-N 3.13Å; K291-L295 HydrophobicContact CG-CD1 3.96Å; K291-L295 HydrophobicContact CG-CG 4.25Å; K291-L295 WeakPolarHBondContact O-CB 3.36Å; K291-L295 WeakPolarHBondContact O-CG 3.44Å; K291-L295 PolarHBondContact O-N 3.32Å; K291-F1015 HydrophobicContact CG-CE1 4.37Å |
| 292 | D | 90.9 | Very high | 88.8 | Confident | 95 Ų | 95 | 51.9 Ų | 51.9 | 51% | 0.508 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 179.2 | -53.6 | -30.7 | 0 | 0 | 0 | 110.8 | C288 M294 L295 S296 | C288-D292 VanDerWaalsContact C-OD2 3.23Å; C288-D292 PolarHBondContact O-N 2.88Å; C288-D292 VanDerWaalsContact O-OD2 3.05Å; D292-M294 VanDerWaalsContact C-N 3.29Å; D292-M294 PolarHBondContact O-N 3.39Å; D292-L295 PolarHBondContact O-N 3.31Å; D292-S296 WeakPolarHBondContact O-CB 3.45Å; D292-S296 PolarHBondContact O-N 3.47Å |
| 293 | K | 91.9 | Very high | 88.8 | Confident | 54 Ų | 54 | 52.3 Ų | 52.3 | 24% | 0.235 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.1 | -29.1 | 174.4 | -77.4 | 176.4 | 169.6 | -179.9 | 0 | 113.7 | E289 K291 I297 N362 I363 L365 | E289-K293 HydrophobicContact CG-CD 4.29Å; E289-K293 VanDerWaalsContact O-CB 3.3Å; E289-K293 WeakPolarHBondContact O-CB 3.25Å; E289-K293 VanDerWaalsContact O-CG 3.29Å; E289-K293 WeakPolarHBondContact O-CG 3.37Å; E289-K293 PolarHBondContact O-N 3.08Å; E289-K293 VanDerWaalsContact OE1-CE 3.29Å; E289-K293 WeakPolarHBondContact OE1-CE 3.5Å; E289-K293 IonicContact OE1-NZ 2.7Å; E289-K293 PolarHBondContact OE1-NZ 3.02Å; K291-K293 PolarHBondContact O-N 2.91Å; K293-I297 WeakPolarHBondContact O-CD1 3.43Å; K293-I297 WeakPolarHBondContact O-CG1 3.43Å; K293-N362 PolarHBondContact NZ-O 3.11Å; K293-N362 VanDerWaalsContact NZ-O 3.11Å; K293-I363 PolarHBondContact NZ-O 2.94Å; K293-L365 HydrophobicContact CB-CD1 3.66Å; K293-L365 HydrophobicContact CB-CG 4.08Å |
| 294 | M | 92.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -79.8 | -41.5 | 174.2 | -75.3 | -61.5 | -58.7 | 0 | 0 | 112.4 | Y290 K291 D292 S296 I297 L298 L352 G354 L365 F1015 | Y290-M294 HydrophobicContact CE1-CG 4.33Å; Y290-M294 HydrophobicContact CE2-CG 4.2Å; Y290-M294 WeakPolarHBondContact O-CG 3.11Å; Y290-M294 PolarHBondContact O-N 2.83Å; K291-M294 PolarHBondContact O-N 3.05Å; K291-M294 VanDerWaalsContact O-N 3.13Å; D292-M294 VanDerWaalsContact C-N 3.29Å; D292-M294 PolarHBondContact O-N 3.39Å; M294-S296 VanDerWaalsContact C-N 3.3Å; M294-S296 PolarHBondContact O-N 3.08Å; M294-I297 WeakPolarHBondContact O-CB 3.28Å; M294-I297 PolarHBondContact O-N 3.24Å; M294-L298 PolarHBondContact O-N 3.09Å; M294-L352 HydrophobicContact CE-CD2 3.61Å; M294-L352 HydrophobicContact CE-CG 3.91Å; M294-G354 VanDerWaalsContact SD-CA 3.57Å; M294-L365 HydrophobicContact CG-CD1 3.69Å; M294-L365 HydrophobicContact SD-CB 4.4Å; M294-L365 HydrophobicContact SD-CD1 3.7Å; M294-F1015 HydrophobicContact CB-CE1 3.73Å; M294-F1015 HydrophobicContact CB-CE2 3.88Å; M294-F1015 HydrophobicContact CB-CZ 3.3Å; M294-F1015 HydrophobicContact CE-CD2 4.31Å; M294-F1015 HydrophobicContact CE-CE2 4.16Å; M294-F1015 HydrophobicContact CG-CE2 3.85Å; M294-F1015 HydrophobicContact CG-CZ 3.71Å |
| 295 | L | 90.5 | Very high | 88.7 | Confident | 74 Ų | 74 | 56.2 Ų | 56.2 | 39% | 0.387 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.7 | -35.6 | 175.2 | -70.2 | 176.1 | 0 | 0 | 0 | 111.5 | K291 D292 I297 L298 G299 F1015 | K291-L295 HydrophobicContact CG-CD1 3.96Å; K291-L295 HydrophobicContact CG-CG 4.25Å; K291-L295 WeakPolarHBondContact O-CB 3.36Å; K291-L295 WeakPolarHBondContact O-CG 3.44Å; K291-L295 PolarHBondContact O-N 3.32Å; D292-L295 PolarHBondContact O-N 3.31Å; L295-I297 PolarHBondContact O-N 2.68Å; L295-L298 CarbonylContact O-C 3.53Å; L295-L298 PolarHBondContact O-N 3.15Å; L295-G299 PolarHBondContact O-N 3.09Å; L295-F1015 HydrophobicContact CD2-CE1 4.32Å; L295-F1015 HydrophobicContact CG-CE1 4.49Å |
| 296 | S | 88.9 | Confident | 88.4 | Confident | 100 Ų | 100 | 62.4 Ų | 62.4 | 70% | 0.699 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.8 | -19.7 | 171.3 | -178 | 0 | 0 | 0 | 0 | 114 | D292 M294 | D292-S296 WeakPolarHBondContact O-CB 3.45Å; D292-S296 PolarHBondContact O-N 3.47Å; M294-S296 VanDerWaalsContact C-N 3.3Å; M294-S296 PolarHBondContact O-N 3.08Å |
| 297 | I | 87.5 | Confident | 87.6 | Confident | 47 Ų | 47 | 61.5 Ų | 61.5 | 24% | 0.241 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -89.7 | -38 | 173 | -65.3 | 165.8 | 0 | 0 | 0 | 110.2 | K293 M294 L295 G299 F304 L365 P367 | K293-I297 WeakPolarHBondContact O-CD1 3.43Å; K293-I297 WeakPolarHBondContact O-CG1 3.43Å; M294-I297 WeakPolarHBondContact O-CB 3.28Å; M294-I297 PolarHBondContact O-N 3.24Å; L295-I297 PolarHBondContact O-N 2.68Å; I297-G299 VanDerWaalsContact C-N 3.3Å; I297-G299 PolarHBondContact O-N 2.87Å; I297-F304 HydrophobicContact CG2-CE2 4.35Å; I297-F304 WeakPolarHBondContact O-CD2 3.49Å; I297-L365 HydrophobicContact CD1-CB 4.24Å; I297-P367 HydrophobicContact CG2-CB 4.49Å; I297-P367 HydrophobicContact CG2-CG 4.28Å |
| 298 | L | 87.8 | Confident | 86.6 | Confident | 10 Ų | 10 | 62.8 Ų | 62.8 | 5% | 0.052 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75.4 | -15 | 178.5 | -69.2 | 169 | 0 | 0 | 0 | 113.9 | M294 L295 D300 F304 L352 F1013 F1015 F1020 | M294-L298 PolarHBondContact O-N 3.09Å; L295-L298 CarbonylContact O-C 3.53Å; L295-L298 PolarHBondContact O-N 3.15Å; L298-D300 PolarHBondContact O-N 2.56Å; L298-F304 HydrophobicContact CD2-CB 4.33Å; L298-F304 HydrophobicContact CD2-CD1 4.27Å; L298-F304 HydrophobicContact CD2-CD2 4.47Å; L298-F304 HydrophobicContact CD2-CG 4.1Å; L298-L352 HydrophobicContact CD1-CD2 4.46Å; L298-L352 HydrophobicContact CD2-CD2 3.82Å; L298-L352 HydrophobicContact CG-CD2 4.36Å; L298-F1013 HydrophobicContact CD2-CE2 3.87Å; L298-F1013 HydrophobicContact CD2-CZ 3.68Å; L298-F1015 HydrophobicContact CD1-CB 4.16Å; L298-F1015 HydrophobicContact CD1-CD1 3.61Å; L298-F1015 HydrophobicContact CD1-CE1 4.31Å; L298-F1015 HydrophobicContact CD1-CG 4.01Å; L298-F1020 HydrophobicContact CB-CE1 4.25Å; L298-F1020 HydrophobicContact CD1-CD2 4.3Å; L298-F1020 HydrophobicContact CD1-CE1 4.22Å; L298-F1020 HydrophobicContact CD1-CE2 3.98Å; L298-F1020 HydrophobicContact CD1-CZ 3.94Å; L298-F1020 HydrophobicContact CD2-CD1 4.32Å; L298-F1020 HydrophobicContact CD2-CG 4.34Å |
| 299 | G | 86.2 | Confident | 85.2 | Confident | 55 Ų | 55 | 62.2 Ų | 62.2 | 57% | 0.567 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L295 I297 Q301 | L295-G299 PolarHBondContact O-N 3.09Å; I297-G299 VanDerWaalsContact C-N 3.3Å; I297-G299 PolarHBondContact O-N 2.87Å; G299-Q301 PolarHBondContact O-N 2.92Å |
| 300 | D | 84 | Confident | 83.6 | Confident | 72 Ų | 72 | 64 Ų | 64 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | trans | -73.6 | 90 | 172.3 | -176.2 | -9.6 | 0 | 0 | 0 | 110.5 | L298 S302 K303 F304 | L298-D300 PolarHBondContact O-N 2.56Å; D300-S302 PolarHBondContact O-N 2.87Å; D300-S302 VanDerWaalsContact O-N 3.09Å; D300-S302 VanDerWaalsContact OD1-CB 3.31Å; D300-S302 WeakPolarHBondContact OD1-CB 3.36Å; D300-S302 PolarHBondContact OD1-N 2.96Å; D300-S302 PolarHBondContact OD1-OG 2.88Å; D300-K303 PolarHBondContact O-N 2.96Å; D300-K303 WeakPolarHBondContact OD2-CG 3.38Å; D300-F304 PolarHBondContact O-N 2.86Å | ||
| 301 | Q | 83.6 | Confident | 82 | Confident | 158 Ų | 158 | 67.9 Ų | 67.9 | 74% | 0.738 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -15 | 179.7 | -64.2 | -174.5 | -1.1 | 0 | 0 | 114 | G299 F304 L305 | G299-Q301 PolarHBondContact O-N 2.92Å; Q301-F304 WeakPolarHBondContact CA-O 3.27Å; Q301-L305 HydrophobicContact CB-CD2 4.44Å; Q301-L305 WeakPolarHBondContact O-CD2 3.42Å |
| 302 | S | 81.1 | Confident | 80.8 | Confident | 71 Ų | 71 | 65.5 Ų | 65.5 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -25.7 | 173.9 | 79.4 | 0 | 0 | 0 | 0 | 112.5 | D300 | D300-S302 PolarHBondContact O-N 2.87Å; D300-S302 VanDerWaalsContact O-N 3.09Å; D300-S302 VanDerWaalsContact OD1-CB 3.31Å; D300-S302 WeakPolarHBondContact OD1-CB 3.36Å; D300-S302 PolarHBondContact OD1-N 2.96Å; D300-S302 PolarHBondContact OD1-OG 2.88Å |
| 303 | K | 84.1 | Confident | 79.9 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 6% | 0.057 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -35.7 | -176.3 | -53.6 | -51.9 | -176.3 | -174.2 | 0 | 113.2 | D300 T971 Q1022 V1023 D1024 | D300-K303 PolarHBondContact O-N 2.96Å; D300-K303 WeakPolarHBondContact OD2-CG 3.38Å; K303-T971 WeakPolarHBondContact CD-O 3.32Å; K303-T971 VanDerWaalsContact CE-O 3.24Å; K303-T971 WeakPolarHBondContact CE-O 3.36Å; K303-T971 PolarHBondContact NZ-O 3.26Å; K303-Q1022 CarbonylContact O-C 3.55Å; K303-Q1022 WeakPolarHBondContact O-CA 3.47Å; K303-V1023 WeakPolarHBondContact O-CG2 3.4Å; K303-V1023 PolarHBondContact O-N 3.49Å; K303-D1024 HydrophobicContact CD-CB 4.09Å; K303-D1024 IonicContact NZ-OD2 2.89Å; K303-D1024 PolarHBondContact NZ-OD2 3.35Å |
| 304 | F | 88.9 | Confident | 79.4 | Confident | 13 Ų | 13 | 64 Ų | 64 | 6% | 0.057 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 132.7 | -174.8 | -55.3 | -71.9 | 0 | 0 | 0 | 111.4 | I297 L298 D300 Q301 T971 F1013 R1021 Q1022 | I297-F304 HydrophobicContact CG2-CE2 4.35Å; I297-F304 WeakPolarHBondContact O-CD2 3.49Å; L298-F304 HydrophobicContact CD2-CB 4.33Å; L298-F304 HydrophobicContact CD2-CD1 4.27Å; L298-F304 HydrophobicContact CD2-CD2 4.47Å; L298-F304 HydrophobicContact CD2-CG 4.1Å; D300-F304 PolarHBondContact O-N 2.86Å; Q301-F304 WeakPolarHBondContact CA-O 3.27Å; F304-T971 HydrophobicContact CZ-CG2 4.32Å; F304-F1013 AromaticContact CD1-CE1 3.99Å; F304-F1013 HydrophobicContact CD1-CE1 3.99Å; F304-F1013 AromaticContact CD1-CZ 3.85Å; F304-F1013 HydrophobicContact CD1-CZ 3.85Å; F304-F1013 HydrophobicContact CE1-CE1 4.28Å; F304-F1013 HydrophobicContact CE1-CZ 4.2Å; F304-R1021 WeakPolarHBondContact CA-O 3.46Å; F304-Q1022 HydrophobicContact CD1-CB 3.98Å; F304-Q1022 HydrophobicContact CD1-CG 4.17Å; F304-Q1022 HydrophobicContact CE1-CB 3.93Å; F304-Q1022 HydrophobicContact CE1-CG 3.85Å |
| 305 | L | 87.4 | Confident | 78.8 | Confident | 69 Ų | 69 | 73.7 Ų | 73.7 | 36% | 0.361 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 141.7 | 168.3 | -57.4 | 178.1 | 0 | 0 | 0 | 109.3 | Q301 F1020 R1021 V1023 | Q301-L305 HydrophobicContact CB-CD2 4.44Å; Q301-L305 WeakPolarHBondContact O-CD2 3.42Å; L305-F1020 CarbonylContact O-C 3.52Å; L305-F1020 VanDerWaalsContact O-CA 3.3Å; L305-F1020 WeakPolarHBondContact O-CA 3.48Å; L305-R1021 HydrophobicContact CB-CG 3.95Å; L305-R1021 PolarHBondContact N-O 3.38Å; L305-R1021 PolarHBondContact O-N 3.47Å; L305-V1023 HydrophobicContact CD1-CG1 3.78Å; L305-V1023 HydrophobicContact CG-CG1 3.99Å; L305-V1023 HydrophobicContact CG-CG2 4.34Å |
| 306 | Q | 84.6 | Confident | 78.4 | Confident | 129 Ų | 129 | 77 Ų | 77 | 60% | 0.603 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 139.2 | 164.6 | -163.4 | 173.7 | -0.1 | 0 | 0 | 108.4 | E1018 Y1019 F1020 | Q306-E1018 PolarHBondContact NE2-OE2 2.96Å; Q306-Y1019 WeakPolarHBondContact CG-O 3.45Å; Q306-F1020 HydrophobicContact CB-CD1 3.98Å; Q306-F1020 HydrophobicContact CB-CE1 3.91Å; Q306-F1020 HydrophobicContact CG-CD1 4.17Å; Q306-F1020 HydrophobicContact CG-CE1 3.87Å; Q306-F1020 HydrophobicContact CG-CZ 4.33Å |
| 307 | D | 77 | Confident | 78.2 | Confident | 16 Ų | 16 | 74.4 Ų | 74.4 | 9% | 0.086 | 40% | 0.401 | C | S | . | . | trans | -119.2 | 142.4 | -173.4 | -152.3 | -9.5 | 0 | 0 | 0 | 110.4 | N311 Q1012 Y1019 R1021 | D307-N311 WeakPolarHBondContact OD1-CB 3.42Å; D307-N311 PolarHBondContact OD1-ND2 2.67Å; D307-Q1012 PolarHBondContact OD2-NE2 2.7Å; D307-Y1019 PolarHBondContact N-O 2.95Å; D307-R1021 HydrophobicContact CB-CG 4.34Å; D307-R1021 WeakPolarHBondContact OD2-CD 3.35Å | ||
| 308 | V | 67.5 | Low | 78.1 | Confident | 94 Ų | 94 | 73.8 Ų | 73.8 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | trans | -79.1 | 136.9 | -178.5 | -169.7 | 0 | 0 | 0 | 0 | 109 | S310 N311 | V308-S310 WeakPolarHBondContact CG1-OG 3.44Å; V308-S310 PolarHBondContact O-N 2.98Å; V308-N311 WeakPolarHBondContact O-CB 3.4Å; V308-N311 PolarHBondContact O-N 3.44Å | ||
| 309 | S | 61.4 | Low | 78 | Confident | 80 Ų | 80 | 76.8 Ų | 76.8 | 56% | 0.559 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -54.3 | -27.6 | -175.4 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | N311 I312 | S309-N311 VanDerWaalsContact C-N 3.3Å; S309-N311 PolarHBondContact O-N 3.49Å; S309-I312 PolarHBondContact O-N 2.87Å |
| 310 | S | 57.1 | Low | 78.1 | Confident | 98 Ų | 98 | 81.1 Ų | 81.1 | 69% | 0.685 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -63.2 | -26.9 | 173.9 | 53.6 | 0 | 0 | 0 | 0 | 114.7 | V308 I312 | V308-S310 WeakPolarHBondContact CG1-OG 3.44Å; V308-S310 PolarHBondContact O-N 2.98Å; S310-I312 PolarHBondContact O-N 3.26Å |
| 311 | N | 59.4 | Low | 78.4 | Confident | 95 Ų | 95 | 77.7 Ų | 77.7 | 51% | 0.508 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -77.8 | -7.6 | -178.7 | -66.6 | -19.7 | 0 | 0 | 0 | 113.1 | D307 V308 S309 N313 | D307-N311 WeakPolarHBondContact OD1-CB 3.42Å; D307-N311 PolarHBondContact OD1-ND2 2.67Å; V308-N311 WeakPolarHBondContact O-CB 3.4Å; V308-N311 PolarHBondContact O-N 3.44Å; S309-N311 VanDerWaalsContact C-N 3.3Å; S309-N311 PolarHBondContact O-N 3.49Å; N311-N313 PolarHBondContact O-N 3.14Å |
| 312 | I | 65.6 | Low | 78.6 | Confident | 32 Ų | 32 | 75.2 Ų | 75.2 | 16% | 0.164 | 39% | 0.387 | C | S | . | . | trans | -104 | 91.3 | -159.3 | -57 | -177.4 | 0 | 0 | 0 | 110.3 | S309 S310 L349 Y1019 | S309-I312 PolarHBondContact O-N 2.87Å; S310-I312 PolarHBondContact O-N 3.26Å; I312-L349 HydrophobicContact CG2-CD1 3.75Å; I312-L349 HydrophobicContact CG2-CG 4.46Å; I312-Y1019 HydrophobicContact CD1-CD1 3.32Å; I312-Y1019 HydrophobicContact CD1-CD2 3.92Å; I312-Y1019 HydrophobicContact CD1-CE1 4.03Å; I312-Y1019 HydrophobicContact CD1-CG 3.25Å | ||
| 313 | N | 71.3 | Confident | 79 | Confident | 87 Ų | 87 | 74.8 Ų | 74.8 | 47% | 0.465 | 38% | 0.384 | S | S | . | . | trans | -114.7 | 87.3 | 179.3 | -167.2 | -32.5 | 0 | 0 | 0 | 111.4 | N311 R315 K316 L317 | N311-N313 PolarHBondContact O-N 3.14Å; N313-R315 VanDerWaalsContact C-N 3.26Å; N313-R315 PolarHBondContact O-N 3.49Å; N313-R315 PolarHBondContact OD1-N 2.97Å; N313-K316 HydrophobicContact CB-CB 3.85Å; N313-K316 WeakPolarHBondContact O-CB 3.48Å; N313-K316 PolarHBondContact O-N 2.9Å; N313-K316 PolarHBondContact OD1-N 3.48Å; N313-L317 PolarHBondContact O-N 3Å | ||
| 314 | V | 81.1 | Confident | 79.4 | Confident | 32 Ų | 32 | 75 Ų | 75 | 19% | 0.194 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57.9 | -38.3 | 178.5 | -174.1 | 0 | 0 | 0 | 0 | 111.4 | K316 L317 E318 L349 P375 | V314-K316 VanDerWaalsContact C-N 3.31Å; V314-K316 PolarHBondContact O-N 3.49Å; V314-L317 WeakPolarHBondContact O-CB 3.46Å; V314-L317 PolarHBondContact O-N 3.01Å; V314-L317 VanDerWaalsContact O-N 3.07Å; V314-E318 HydrophobicContact CG1-CG 4.48Å; V314-E318 PolarHBondContact O-N 2.81Å; V314-L349 HydrophobicContact CG2-CD2 4.05Å; V314-L349 HydrophobicContact CG2-CG 4.12Å; V314-P375 HydrophobicContact CG1-CG 3.73Å |
| 315 | R | 79.4 | Confident | 79.4 | Confident | 203 Ų | 203 | 74.4 Ų | 74.4 | 77% | 0.766 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.9 | -34.8 | 176.7 | -60.1 | -176.5 | -174.9 | 179.2 | 2.6 | 112.5 | N313 S319 | N313-R315 VanDerWaalsContact C-N 3.26Å; N313-R315 PolarHBondContact O-N 3.49Å; N313-R315 PolarHBondContact OD1-N 2.97Å; R315-S319 VanDerWaalsContact O-CB 3.29Å; R315-S319 WeakPolarHBondContact O-CB 3.4Å; R315-S319 PolarHBondContact O-N 3.49Å; R315-S319 PolarHBondContact O-OG 3.09Å |
| 316 | K | 82.6 | Confident | 79.5 | Confident | 143 Ų | 143 | 74.8 Ų | 74.8 | 62% | 0.622 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.8 | -36.4 | 173.6 | -171.6 | 175.2 | -177.5 | 177.6 | 0 | 111.1 | N313 V314 R320 | N313-K316 HydrophobicContact CB-CB 3.85Å; N313-K316 WeakPolarHBondContact O-CB 3.48Å; N313-K316 PolarHBondContact O-N 2.9Å; N313-K316 PolarHBondContact OD1-N 3.48Å; V314-K316 VanDerWaalsContact C-N 3.31Å; V314-K316 PolarHBondContact O-N 3.49Å; K316-R320 WeakPolarHBondContact O-CG 3.48Å; K316-R320 PolarHBondContact O-N 3.49Å |
| 317 | L | 84.8 | Confident | 79.8 | Confident | 46 Ų | 46 | 72.9 Ų | 72.9 | 24% | 0.241 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71.3 | -45.4 | 173.7 | -175.7 | 57.5 | 0 | 0 | 0 | 112.3 | N313 V314 S319 R320 V321 P375 T376 L1006 | N313-L317 PolarHBondContact O-N 3Å; V314-L317 WeakPolarHBondContact O-CB 3.46Å; V314-L317 PolarHBondContact O-N 3.01Å; V314-L317 VanDerWaalsContact O-N 3.07Å; L317-S319 PolarHBondContact O-N 2.77Å; L317-R320 PolarHBondContact O-N 2.77Å; L317-R320 VanDerWaalsContact O-N 3.15Å; L317-V321 WeakPolarHBondContact O-CG2 3.48Å; L317-V321 PolarHBondContact O-N 3.05Å; L317-P375 HydrophobicContact CB-CG 4.42Å; L317-P375 HydrophobicContact CD2-CB 4.22Å; L317-P375 HydrophobicContact CD2-CG 4.03Å; L317-P375 HydrophobicContact CG-CB 3.99Å; L317-P375 HydrophobicContact CG-CG 4.14Å; L317-T376 HydrophobicContact CD1-CG2 4.47Å; L317-L1006 HydrophobicContact CD1-CD1 3.86Å |
| 318 | E | 85.5 | Confident | 80.4 | Confident | 33 Ų | 33 | 72.1 Ų | 72.1 | 15% | 0.154 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -55.2 | -41.7 | 171.4 | -70.3 | -174.5 | 132.3 | 0 | 0 | 111.4 | V314 V321 K322 P344 G346 S347 P375 | V314-E318 HydrophobicContact CG1-CG 4.48Å; V314-E318 PolarHBondContact O-N 2.81Å; E318-V321 PolarHBondContact O-N 2.68Å; E318-K322 WeakPolarHBondContact O-CB 3.48Å; E318-K322 PolarHBondContact O-N 3.06Å; E318-P344 HydrophobicContact CB-CG 4.15Å; E318-P344 HydrophobicContact CG-CB 4.11Å; E318-P344 HydrophobicContact CG-CG 4.15Å; E318-G346 PolarHBondContact OE1-N 3.41Å; E318-G346 VanDerWaalsContact OE1-N 3.16Å; E318-S347 WeakPolarHBondContact OE1-CB 3.36Å; E318-S347 PolarHBondContact OE1-N 3.07Å; E318-S347 PolarHBondContact OE1-OG 3.48Å; E318-P375 HydrophobicContact CG-CB 3.92Å; E318-P375 HydrophobicContact CG-CG 3.85Å |
| 319 | S | 85.9 | Confident | 81.2 | Confident | 74 Ų | 74 | 69.5 Ų | 69.5 | 52% | 0.517 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 177.4 | -60.3 | 0 | 0 | 0 | 0 | 112.6 | R315 L317 S323 | R315-S319 VanDerWaalsContact O-CB 3.29Å; R315-S319 WeakPolarHBondContact O-CB 3.4Å; R315-S319 PolarHBondContact O-N 3.49Å; R315-S319 PolarHBondContact O-OG 3.09Å; L317-S319 PolarHBondContact O-N 2.77Å; S319-S323 VanDerWaalsContact O-CB 3.25Å; S319-S323 WeakPolarHBondContact O-CB 3.47Å; S319-S323 PolarHBondContact O-N 3.06Å |
| 320 | R | 88 | Confident | 82.3 | Confident | 146 Ų | 146 | 74.5 Ų | 74.5 | 55% | 0.551 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.3 | -42 | 173 | -74 | 175.4 | 72.7 | -173.6 | 2.7 | 111.9 | K316 L317 N324 L1006 | K316-R320 WeakPolarHBondContact O-CG 3.48Å; K316-R320 PolarHBondContact O-N 3.49Å; L317-R320 PolarHBondContact O-N 2.77Å; L317-R320 VanDerWaalsContact O-N 3.15Å; R320-N324 PolarHBondContact O-N 3.44Å; R320-N324 PolarHBondContact O-ND2 3.31Å; R320-L1006 HydrophobicContact CB-CD1 4.17Å |
| 321 | V | 90.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.3 | -51.7 | 175.3 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | L317 E318 S323 N324 L325 P344 P375 T376 L379 L1006 | L317-V321 WeakPolarHBondContact O-CG2 3.48Å; L317-V321 PolarHBondContact O-N 3.05Å; E318-V321 PolarHBondContact O-N 2.68Å; V321-S323 VanDerWaalsContact C-N 3.33Å; V321-S323 PolarHBondContact O-N 2.78Å; V321-N324 PolarHBondContact O-N 2.81Å; V321-L325 HydrophobicContact CG1-CD1 3.9Å; V321-L325 HydrophobicContact CG1-CG 4.37Å; V321-L325 WeakPolarHBondContact O-CG 3.5Å; V321-L325 PolarHBondContact O-N 2.95Å; V321-P344 HydrophobicContact CB-CG 4.09Å; V321-P344 HydrophobicContact CG1-CG 3.82Å; V321-P375 HydrophobicContact CG2-CB 4.48Å; V321-T376 HydrophobicContact CG2-CG2 4.03Å; V321-L379 HydrophobicContact CG1-CD2 4.11Å; V321-L379 HydrophobicContact CG2-CD2 4.47Å; V321-L1006 HydrophobicContact CG2-CD2 4.26Å |
| 322 | K | 88 | Confident | 84.7 | Confident | 106 Ų | 106 | 76.5 Ų | 76.5 | 46% | 0.461 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.8 | -41.7 | 177.7 | -174.4 | -178.1 | 177.9 | -174.3 | 0 | 112.5 | E318 L325 L326 | E318-K322 WeakPolarHBondContact O-CB 3.48Å; E318-K322 PolarHBondContact O-N 3.06Å; K322-L325 PolarHBondContact O-N 3.07Å; K322-L326 HydrophobicContact CG-CD1 4.46Å; K322-L326 WeakPolarHBondContact O-CG 3.27Å; K322-L326 PolarHBondContact O-N 2.84Å |
| 323 | S | 89.2 | Confident | 85.6 | Confident | 62 Ų | 62 | 76.1 Ų | 76.1 | 43% | 0.434 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 176.7 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | S319 V321 L326 K327 | S319-S323 VanDerWaalsContact O-CB 3.25Å; S319-S323 WeakPolarHBondContact O-CB 3.47Å; S319-S323 PolarHBondContact O-N 3.06Å; V321-S323 VanDerWaalsContact C-N 3.33Å; V321-S323 PolarHBondContact O-N 2.78Å; S323-L326 PolarHBondContact O-N 3.37Å; S323-K327 PolarHBondContact O-N 3.24Å; S323-K327 VanDerWaalsContact O-N 3.15Å |
| 324 | N | 91.5 | Very high | 86.3 | Confident | 17 Ų | 17 | 72.3 Ų | 72.3 | 9% | 0.091 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -75.5 | -30.8 | 179.3 | -67.7 | -50.1 | 0 | 0 | 0 | 112.9 | R320 V321 L326 K327 L328 F999 L1003 | R320-N324 PolarHBondContact O-N 3.44Å; R320-N324 PolarHBondContact O-ND2 3.31Å; V321-N324 PolarHBondContact O-N 2.81Å; N324-L326 VanDerWaalsContact C-N 3.32Å; N324-K327 WeakPolarHBondContact O-CB 3.09Å; N324-K327 PolarHBondContact O-N 2.83Å; N324-K327 WeakPolarHBondContact OD1-CD 3.44Å; N324-K327 WeakPolarHBondContact OD1-CE 3.46Å; N324-K327 PolarHBondContact OD1-NZ 3.33Å; N324-L328 PolarHBondContact O-N 3.02Å; N324-F999 HydrophobicContact CB-CE2 4.15Å; N324-F999 HydrophobicContact CB-CZ 4.13Å; N324-F999 WeakPolarHBondContact OD1-CE2 3.31Å; N324-L1003 HydrophobicContact CB-CD2 3.86Å |
| 325 | L | 90.2 | Very high | 86.5 | Confident | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 167.7 | -71.2 | 171.4 | 0 | 0 | 0 | 111.7 | V321 K322 K327 L328 L329 I334 F339 L342 L379 | V321-L325 HydrophobicContact CG1-CD1 3.9Å; V321-L325 HydrophobicContact CG1-CG 4.37Å; V321-L325 WeakPolarHBondContact O-CG 3.5Å; V321-L325 PolarHBondContact O-N 2.95Å; K322-L325 PolarHBondContact O-N 3.07Å; L325-K327 VanDerWaalsContact C-N 3.32Å; L325-K327 PolarHBondContact O-N 2.77Å; L325-L328 HydrophobicContact CD2-CD1 4.41Å; L325-L328 PolarHBondContact O-N 2.92Å; L325-L329 WeakPolarHBondContact O-CB 3.36Å; L325-L329 PolarHBondContact O-N 2.78Å; L325-I334 HydrophobicContact CB-CD1 4.45Å; L325-I334 HydrophobicContact CD2-CD1 4.01Å; L325-F339 HydrophobicContact CB-CD2 3.88Å; L325-F339 HydrophobicContact CB-CE2 3.72Å; L325-L342 HydrophobicContact CD1-CB 3.96Å; L325-L342 WeakPolarHBondContact CD1-O 3.17Å; L325-L342 HydrophobicContact CD2-CB 3.74Å; L325-L342 HydrophobicContact CD2-CD1 3.89Å; L325-L342 HydrophobicContact CD2-CG 4.48Å; L325-L379 HydrophobicContact CD2-CD1 4.17Å |
| 326 | L | 88.9 | Confident | 86.6 | Confident | 77 Ų | 77 | 70.1 Ų | 70.1 | 40% | 0.403 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.5 | -30.5 | 174.3 | -72.5 | 170.2 | 0 | 0 | 0 | 112.9 | K322 S323 N324 L329 K330 F339 | K322-L326 HydrophobicContact CG-CD1 4.46Å; K322-L326 WeakPolarHBondContact O-CG 3.27Å; K322-L326 PolarHBondContact O-N 2.84Å; S323-L326 PolarHBondContact O-N 3.37Å; N324-L326 VanDerWaalsContact C-N 3.32Å; L326-L329 HydrophobicContact CD2-CD2 4.39Å; L326-K330 WeakPolarHBondContact O-CG 3.23Å; L326-K330 PolarHBondContact O-N 3.45Å; L326-K330 VanDerWaalsContact O-N 3.07Å; L326-F339 HydrophobicContact CD2-CE2 3.67Å; L326-F339 HydrophobicContact CD2-CZ 3.71Å; L326-F339 HydrophobicContact CG-CE2 3.89Å; L326-F339 HydrophobicContact CG-CZ 4.12Å |
| 327 | K | 90 | Very high | 86.6 | Confident | 88 Ų | 88 | 70.2 Ų | 70.2 | 38% | 0.383 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.7 | -49.4 | 169.4 | -64.9 | 174.3 | -175.3 | 169 | 0 | 111.1 | S323 N324 L325 L329 K330 M331 F999 | S323-K327 PolarHBondContact O-N 3.24Å; S323-K327 VanDerWaalsContact O-N 3.15Å; N324-K327 WeakPolarHBondContact O-CB 3.09Å; N324-K327 PolarHBondContact O-N 2.83Å; N324-K327 WeakPolarHBondContact OD1-CD 3.44Å; N324-K327 WeakPolarHBondContact OD1-CE 3.46Å; N324-K327 PolarHBondContact OD1-NZ 3.33Å; L325-K327 VanDerWaalsContact C-N 3.32Å; L325-K327 PolarHBondContact O-N 2.77Å; K327-L329 VanDerWaalsContact C-N 3.27Å; K327-L329 PolarHBondContact O-N 2.93Å; K327-K330 PolarHBondContact O-N 2.63Å; K327-K330 VanDerWaalsContact O-N 3.12Å; K327-M331 VanDerWaalsContact O-CG 3.26Å; K327-M331 WeakPolarHBondContact O-CG 3.47Å; K327-M331 PolarHBondContact O-N 2.92Å; K327-F999 HydrophobicContact CB-CE1 3.95Å; K327-F999 HydrophobicContact CB-CZ 3.68Å; K327-F999 HydrophobicContact CD-CD2 4.49Å; K327-F999 HydrophobicContact CD-CE1 4.4Å; K327-F999 HydrophobicContact CD-CE2 3.68Å; K327-F999 HydrophobicContact CD-CZ 3.64Å; K327-F999 HydrophobicContact CG-CZ 4.33Å |
| 328 | L | 90.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.6 | -38.4 | 178.2 | -70.7 | 166.8 | 0 | 0 | 0 | 112.3 | N324 L325 M331 N332 V333 I334 W382 I995 F999 L1003 | N324-L328 PolarHBondContact O-N 3.02Å; L325-L328 HydrophobicContact CD2-CD1 4.41Å; L325-L328 PolarHBondContact O-N 2.92Å; L328-M331 CarbonylContact O-C 3.05Å; L328-M331 PolarHBondContact O-N 3.42Å; L328-N332 PolarHBondContact O-N 3.35Å; L328-V333 HydrophobicContact CB-CB 4.39Å; L328-V333 HydrophobicContact CD2-CB 4Å; L328-V333 HydrophobicContact CD2-CG1 3.97Å; L328-V333 HydrophobicContact CD2-CG2 4.28Å; L328-V333 PolarHBondContact O-N 3.19Å; L328-I334 HydrophobicContact CB-CD1 3.98Å; L328-I334 HydrophobicContact CB-CG1 3.98Å; L328-W382 HydrophobicContact CD1-CH2 3.86Å; L328-W382 HydrophobicContact CD1-CZ3 3.83Å; L328-W382 HydrophobicContact CD2-CH2 4.33Å; L328-I995 HydrophobicContact CD2-CD1 3.84Å; L328-I995 HydrophobicContact CD2-CG1 3.89Å; L328-F999 HydrophobicContact CD2-CD1 4.49Å; L328-F999 HydrophobicContact CD2-CE1 3.75Å; L328-F999 HydrophobicContact CD2-CZ 4.48Å; L328-F999 HydrophobicContact CG-CE1 3.91Å; L328-F999 HydrophobicContact CG-CZ 4.21Å; L328-L1003 HydrophobicContact CD1-CD1 4.04Å; L328-L1003 HydrophobicContact CD1-CD2 4.32Å; L328-L1003 HydrophobicContact CD2-CD1 4.1Å; L328-L1003 HydrophobicContact CG-CD1 4.39Å |
| 329 | L | 83.9 | Confident | 86.5 | Confident | 40 Ų | 40 | 69.6 Ų | 69.6 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65 | -45.5 | 173.9 | -175.6 | 63.7 | 0 | 0 | 0 | 111.8 | L325 L326 K327 M331 N332 I334 F339 | L325-L329 WeakPolarHBondContact O-CB 3.36Å; L325-L329 PolarHBondContact O-N 2.78Å; L326-L329 HydrophobicContact CD2-CD2 4.39Å; K327-L329 VanDerWaalsContact C-N 3.27Å; K327-L329 PolarHBondContact O-N 2.93Å; L329-M331 PolarHBondContact O-N 3.13Å; L329-N332 PolarHBondContact O-N 3.12Å; L329-I334 HydrophobicContact CB-CD1 4.43Å; L329-I334 HydrophobicContact CB-CG1 4.12Å; L329-I334 HydrophobicContact CD1-CG1 4.44Å; L329-I334 WeakPolarHBondContact CD1-O 3.37Å; L329-F339 HydrophobicContact CD2-CD2 4.14Å; L329-F339 HydrophobicContact CD2-CG 4.26Å |
| 330 | K | 84.9 | Confident | 86.2 | Confident | 185 Ų | 185 | 70.6 Ų | 70.6 | 80% | 0.804 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.6 | -24.5 | 174.1 | -77.6 | -175.4 | 175.1 | -166.8 | 0 | 113.8 | L326 K327 N332 | L326-K330 WeakPolarHBondContact O-CG 3.23Å; L326-K330 PolarHBondContact O-N 3.45Å; L326-K330 VanDerWaalsContact O-N 3.07Å; K327-K330 PolarHBondContact O-N 2.63Å; K327-K330 VanDerWaalsContact O-N 3.12Å; K330-N332 VanDerWaalsContact C-N 3.33Å |
| 331 | M | 85.1 | Confident | 86 | Confident | 86 Ų | 86 | 69.2 Ų | 69.2 | 42% | 0.424 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 6.4 | 177 | -63 | 170.2 | 81.5 | 0 | 0 | 112.5 | K327 L328 L329 V333 P996 F999 | K327-M331 VanDerWaalsContact O-CG 3.26Å; K327-M331 WeakPolarHBondContact O-CG 3.47Å; K327-M331 PolarHBondContact O-N 2.92Å; L328-M331 CarbonylContact O-C 3.05Å; L328-M331 PolarHBondContact O-N 3.42Å; L329-M331 PolarHBondContact O-N 3.13Å; M331-V333 HydrophobicContact CB-CG2 3.82Å; M331-V333 PolarHBondContact O-N 3.4Å; M331-V333 VanDerWaalsContact O-N 3.15Å; M331-P996 VanDerWaalsContact CE-CD 3.44Å; M331-P996 HydrophobicContact CE-CG 3.69Å; M331-F999 HydrophobicContact SD-CD1 4.03Å; M331-F999 HydrophobicContact SD-CE1 4.03Å |
| 332 | N | 82.9 | Confident | 85.9 | Confident | 148 Ų | 148 | 69.5 Ų | 69.5 | 79% | 0.791 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 25.4 | -174.9 | -66.1 | -22.7 | 0 | 0 | 0 | 114.7 | L328 L329 K330 | L328-N332 PolarHBondContact O-N 3.35Å; L329-N332 PolarHBondContact O-N 3.12Å; K330-N332 VanDerWaalsContact C-N 3.33Å |
| 333 | V | 82.7 | Confident | 85.7 | Confident | 24 Ų | 24 | 67.9 Ų | 67.9 | 15% | 0.145 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -81.6 | -26.3 | 178.5 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | L328 M331 W382 P994 I995 | L328-V333 HydrophobicContact CB-CB 4.39Å; L328-V333 HydrophobicContact CD2-CB 4Å; L328-V333 HydrophobicContact CD2-CG1 3.97Å; L328-V333 HydrophobicContact CD2-CG2 4.28Å; L328-V333 PolarHBondContact O-N 3.19Å; M331-V333 HydrophobicContact CB-CG2 3.82Å; M331-V333 PolarHBondContact O-N 3.4Å; M331-V333 VanDerWaalsContact O-N 3.15Å; V333-W382 HydrophobicContact CG1-CH2 4.1Å; V333-W382 HydrophobicContact CG1-CZ2 4.29Å; V333-P994 HydrophobicContact CG1-CB 4.27Å; V333-P994 HydrophobicContact CG1-CG 4.46Å; V333-P994 HydrophobicContact CG2-CB 4.32Å; V333-P994 VanDerWaalsContact CG2-O 3.24Å; V333-P994 WeakPolarHBondContact CG2-O 3.37Å; V333-I995 HydrophobicContact CG1-CD1 4.25Å; V333-I995 HydrophobicContact CG1-CG1 3.83Å |
| 334 | I | 86.9 | Confident | 85.4 | Confident | 7 Ų | 7 | 65.9 Ų | 65.9 | 4% | 0.036 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -128.3 | 150.9 | 171.7 | 56.5 | 179.2 | 0 | 0 | 0 | 109.9 | L325 L328 L329 E338 F339 L342 W382 | L325-I334 HydrophobicContact CB-CD1 4.45Å; L325-I334 HydrophobicContact CD2-CD1 4.01Å; L328-I334 HydrophobicContact CB-CD1 3.98Å; L328-I334 HydrophobicContact CB-CG1 3.98Å; L329-I334 HydrophobicContact CB-CD1 4.43Å; L329-I334 HydrophobicContact CB-CG1 4.12Å; L329-I334 HydrophobicContact CD1-CG1 4.44Å; L329-I334 WeakPolarHBondContact CD1-O 3.37Å; I334-E338 HydrophobicContact CB-CB 4.12Å; I334-E338 HydrophobicContact CG2-CB 4.32Å; I334-F339 HydrophobicContact CD1-CB 4.1Å; I334-F339 HydrophobicContact CD1-CD2 4.12Å; I334-L342 HydrophobicContact CG2-CD1 4.29Å; I334-W382 HydrophobicContact CG2-CH2 3.8Å; I334-W382 HydrophobicContact CG2-CZ2 3.11Å |
| 335 | N | 85.5 | Confident | 84.5 | Confident | 78 Ų | 78 | 69.4 Ų | 69.4 | 42% | 0.417 | 35% | 0.353 | S | S | . | . | trans | -91.7 | 178.5 | 170.5 | 74.1 | 21.2 | 0 | 0 | 0 | 111.5 | E337 E338 F339 | N335-E337 VanDerWaalsContact C-N 3.32Å; N335-E337 PolarHBondContact O-N 2.86Å; N335-E337 WeakPolarHBondContact OD1-CA 3.44Å; N335-E337 WeakPolarHBondContact OD1-CB 3.29Å; N335-E337 PolarHBondContact OD1-N 3.33Å; N335-E338 PolarHBondContact O-N 3.3Å; N335-E338 PolarHBondContact OD1-N 2.98Å; N335-F339 WeakPolarHBondContact O-CB 3.48Å; N335-F339 PolarHBondContact O-N 2.91Å | ||
| 336 | N | 82 | Confident | 83.9 | Confident | 112 Ų | 112 | 72.9 Ų | 72.9 | 60% | 0.599 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66.7 | -26.4 | -180 | -77.6 | -31.6 | 0 | 0 | 0 | 114.3 | N340 | N336-N340 PolarHBondContact O-N 3.19Å; N336-N340 PolarHBondContact O-ND2 3.24Å |
| 337 | E | 80.9 | Confident | 83.6 | Confident | 145 Ų | 145 | 70.3 Ų | 70.3 | 68% | 0.678 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -73.7 | -49.4 | 176.4 | -59 | -176.5 | 150 | 0 | 0 | 110.3 | N335 F339 N340 I341 | N335-E337 VanDerWaalsContact C-N 3.32Å; N335-E337 PolarHBondContact O-N 2.86Å; N335-E337 WeakPolarHBondContact OD1-CA 3.44Å; N335-E337 WeakPolarHBondContact OD1-CB 3.29Å; N335-E337 PolarHBondContact OD1-N 3.33Å; E337-F339 VanDerWaalsContact C-N 3.35Å; E337-F339 PolarHBondContact O-N 1.96Å; E337-N340 PolarHBondContact O-N 3.22Å; E337-N340 VanDerWaalsContact O-N 3.16Å; E337-I341 WeakPolarHBondContact O-CG1 3.24Å; E337-I341 PolarHBondContact O-N 2.9Å |
| 338 | E | 82.1 | Confident | 83.3 | Confident | 44 Ų | 44 | 70.2 Ų | 70.2 | 21% | 0.206 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60 | -43.7 | 173.5 | -72.4 | -165.9 | 129.2 | 0 | 0 | 110.9 | I334 N335 N340 I341 L342 W382 K385 | I334-E338 HydrophobicContact CB-CB 4.12Å; I334-E338 HydrophobicContact CG2-CB 4.32Å; N335-E338 PolarHBondContact O-N 3.3Å; N335-E338 PolarHBondContact OD1-N 2.98Å; E338-N340 VanDerWaalsContact C-N 3.29Å; E338-N340 PolarHBondContact O-N 3.09Å; E338-I341 PolarHBondContact O-N 3.06Å; E338-I341 VanDerWaalsContact O-N 3.16Å; E338-L342 WeakPolarHBondContact O-CB 3.48Å; E338-L342 WeakPolarHBondContact O-CG 3.34Å; E338-L342 PolarHBondContact O-N 3.48Å; E338-W382 PolarHBondContact OE1-NE1 2.96Å; E338-K385 IonicContact OE1-NZ 3.5Å; E338-K385 PolarHBondContact OE1-NZ 3.29Å |
| 339 | F | 87.4 | Confident | 83 | Confident | 22 Ų | 22 | 71.6 Ų | 71.6 | 10% | 0.096 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -54.5 | -44.4 | 174 | 178.4 | -92.8 | 0 | 0 | 0 | 112.2 | L325 L326 L329 I334 N335 E337 L342 K343 | L325-F339 HydrophobicContact CB-CD2 3.88Å; L325-F339 HydrophobicContact CB-CE2 3.72Å; L326-F339 HydrophobicContact CD2-CE2 3.67Å; L326-F339 HydrophobicContact CD2-CZ 3.71Å; L326-F339 HydrophobicContact CG-CE2 3.89Å; L326-F339 HydrophobicContact CG-CZ 4.12Å; L329-F339 HydrophobicContact CD2-CD2 4.14Å; L329-F339 HydrophobicContact CD2-CG 4.26Å; I334-F339 HydrophobicContact CD1-CB 4.1Å; I334-F339 HydrophobicContact CD1-CD2 4.12Å; N335-F339 WeakPolarHBondContact O-CB 3.48Å; N335-F339 PolarHBondContact O-N 2.91Å; E337-F339 VanDerWaalsContact C-N 3.35Å; E337-F339 PolarHBondContact O-N 1.96Å; F339-L342 PolarHBondContact O-N 2.7Å; F339-K343 HydrophobicContact CE1-CD 4.24Å; F339-K343 WeakPolarHBondContact O-CB 3.39Å; F339-K343 PolarHBondContact O-N 2.95Å |
| 340 | N | 80.3 | Confident | 83.1 | Confident | 95 Ų | 95 | 70 Ų | 70 | 51% | 0.508 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -70.9 | -31.9 | 179.4 | -81.3 | -53.2 | 0 | 0 | 0 | 113.7 | N336 E337 E338 | N336-N340 PolarHBondContact O-N 3.19Å; N336-N340 PolarHBondContact O-ND2 3.24Å; E337-N340 PolarHBondContact O-N 3.22Å; E337-N340 VanDerWaalsContact O-N 3.16Å; E338-N340 VanDerWaalsContact C-N 3.29Å; E338-N340 PolarHBondContact O-N 3.09Å |
| 341 | I | 82.2 | Confident | 83.3 | Confident | 116 Ų | 116 | 64.5 Ų | 64.5 | 60% | 0.595 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -71.1 | -35.4 | 174 | -67.6 | 164.1 | 0 | 0 | 0 | 111.5 | E337 E338 | E337-I341 WeakPolarHBondContact O-CG1 3.24Å; E337-I341 PolarHBondContact O-N 2.9Å; E338-I341 PolarHBondContact O-N 3.06Å; E338-I341 VanDerWaalsContact O-N 3.16Å |
| 342 | L | 88 | Confident | 83.5 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -88.3 | -22 | -175.4 | -60.7 | 174.2 | 0 | 0 | 0 | 114.1 | L325 I334 E338 F339 P344 E378 W382 | L325-L342 HydrophobicContact CD1-CB 3.96Å; L325-L342 WeakPolarHBondContact CD1-O 3.17Å; L325-L342 HydrophobicContact CD2-CB 3.74Å; L325-L342 HydrophobicContact CD2-CD1 3.89Å; L325-L342 HydrophobicContact CD2-CG 4.48Å; I334-L342 HydrophobicContact CG2-CD1 4.29Å; E338-L342 WeakPolarHBondContact O-CB 3.48Å; E338-L342 WeakPolarHBondContact O-CG 3.34Å; E338-L342 PolarHBondContact O-N 3.48Å; F339-L342 PolarHBondContact O-N 2.7Å; L342-P344 VanDerWaalsContact O-CD 3.25Å; L342-P344 WeakPolarHBondContact O-CD 3.3Å; L342-E378 HydrophobicContact CD2-CB 4.24Å; L342-E378 WeakPolarHBondContact CD2-O 3.35Å; L342-W382 HydrophobicContact CD1-CB 4.18Å; L342-W382 HydrophobicContact CD1-CD2 3.77Å; L342-W382 HydrophobicContact CD1-CE3 4.35Å; L342-W382 HydrophobicContact CD1-CG 3.66Å; L342-W382 HydrophobicContact CD2-CB 3.42Å; L342-W382 VanDerWaalsContact CD2-CB 3.42Å; L342-W382 HydrophobicContact CD2-CG 3.82Å; L342-W382 HydrophobicContact CG-CB 4.44Å; L342-W382 HydrophobicContact CG-CG 4.37Å |
| 343 | K | 84.4 | Confident | 83.9 | Confident | 71 Ų | 71 | 57.8 Ų | 57.8 | 31% | 0.309 | 32% | 0.323 | S | S | . | . | trans | -67.2 | 112.5 | -178.1 | 179.3 | -160 | 74.3 | -156.7 | 0 | 110.8 | F339 | F339-K343 HydrophobicContact CE1-CD 4.24Å; F339-K343 WeakPolarHBondContact O-CB 3.39Å; F339-K343 PolarHBondContact O-N 2.95Å | ||
| 344 | P | 83.5 | Confident | 84.2 | Confident | 21 Ų | 21 | 56.7 Ų | 56.7 | 14% | 0.136 | 32% | 0.316 | C | S | . | . | trans | -65.7 | 150.7 | 175.1 | 28.9 | -35.1 | 0 | 0 | 0 | 111.3 | E318 V321 L342 S347 P375 | E318-P344 HydrophobicContact CB-CG 4.15Å; E318-P344 HydrophobicContact CG-CB 4.11Å; E318-P344 HydrophobicContact CG-CG 4.15Å; V321-P344 HydrophobicContact CB-CG 4.09Å; V321-P344 HydrophobicContact CG1-CG 3.82Å; L342-P344 VanDerWaalsContact O-CD 3.25Å; L342-P344 WeakPolarHBondContact O-CD 3.3Å; P344-S347 WeakPolarHBondContact CB-OG 3.35Å; P344-P375 HydrophobicContact CB-CB 4.34Å; P344-P375 HydrophobicContact CG-CB 4.48Å | ||
| 345 | S | 72 | Confident | 84.4 | Confident | 90 Ų | 90 | 58 Ų | 58 | 63% | 0.629 | 32% | 0.323 | S | S | * | . | trans | -159.5 | 118.9 | 175.9 | -68.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 346 | G | 77.8 | Confident | 84.6 | Confident | 75 Ų | 75 | 54.2 Ų | 54.2 | 77% | 0.773 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 74.8 | 30.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E318 | E318-G346 PolarHBondContact OE1-N 3.41Å; E318-G346 VanDerWaalsContact OE1-N 3.16Å |
| 347 | S | 83.7 | Confident | 84.7 | Confident | 22 Ų | 22 | 51 Ų | 51 | 15% | 0.154 | 28% | 0.284 | C | S | . | . | trans | -68.7 | 153.5 | -173.3 | -48.8 | 0 | 0 | 0 | 0 | 113.4 | E318 P344 G373 | E318-S347 WeakPolarHBondContact OE1-CB 3.36Å; E318-S347 PolarHBondContact OE1-N 3.07Å; E318-S347 PolarHBondContact OE1-OG 3.48Å; P344-S347 WeakPolarHBondContact CB-OG 3.35Å; S347-G373 VanDerWaalsContact CA-O 3.31Å; S347-G373 WeakPolarHBondContact CA-O 3.43Å; S347-G373 WeakPolarHBondContact CB-O 3.14Å | ||
| 348 | V | 83.1 | Confident | 84.7 | Confident | 87 Ų | 87 | 47 Ų | 47 | 53% | 0.527 | 27% | 0.266 | S | S | . | . | trans | -117.1 | 160.7 | 173.7 | -70.7 | 0 | 0 | 0 | 0 | 111.2 | G373 S374 | V348-G373 PolarHBondContact N-O 2.8Å; V348-S374 WeakPolarHBondContact O-CA 3.32Å; V348-S374 WeakPolarHBondContact O-CB 3.26Å | ||
| 349 | L | 83.5 | Confident | 84.3 | Confident | 29 Ų | 29 | 49.3 Ų | 49.3 | 15% | 0.152 | 28% | 0.277 | C | S | . | . | trans | -66.4 | 147.3 | 171.6 | -73.3 | -178.6 | 0 | 0 | 0 | 111.2 | I312 V314 Q1012 T1014 Y1019 | I312-L349 HydrophobicContact CG2-CD1 3.75Å; I312-L349 HydrophobicContact CG2-CG 4.46Å; V314-L349 HydrophobicContact CG2-CD2 4.05Å; V314-L349 HydrophobicContact CG2-CG 4.12Å; L349-Q1012 HydrophobicContact CD2-CB 4.13Å; L349-T1014 HydrophobicContact CB-CG2 4.35Å; L349-T1014 HydrophobicContact CD1-CG2 3.98Å; L349-Y1019 HydrophobicContact CD1-CD1 3.84Å; L349-Y1019 HydrophobicContact CD1-CE1 4.02Å | ||
| 350 | P | 87.2 | Confident | 83.5 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.032 | 29% | 0.293 | C | S | . | . | trans | -56.8 | 145.8 | 165.7 | -21.1 | 32.2 | 0 | 0 | 0 | 111.9 | L369 S370 M371 Q1012 F1013 T1014 | P350-L369 HydrophobicContact CB-CD1 3.76Å; P350-L369 HydrophobicContact CB-CD2 3.98Å; P350-L369 HydrophobicContact CB-CG 3.72Å; P350-L369 HydrophobicContact CG-CD2 4.45Å; P350-S370 VanDerWaalsContact CA-O 3.28Å; P350-S370 WeakPolarHBondContact CA-O 3.36Å; P350-M371 HydrophobicContact CB-CG 4.07Å; P350-M371 HydrophobicContact CG-CB 4.42Å; P350-M371 HydrophobicContact CG-CE 4.05Å; P350-M371 HydrophobicContact CG-CG 4.02Å; P350-Q1012 WeakPolarHBondContact CD-O 3.32Å; P350-F1013 HydrophobicContact CB-CB 4.19Å; P350-F1013 CarbonylContact O-C 3.1Å; P350-F1013 VanDerWaalsContact O-CA 3.28Å; P350-F1013 WeakPolarHBondContact O-CA 3.33Å; P350-F1013 VanDerWaalsContact O-CB 3.28Å; P350-F1013 WeakPolarHBondContact O-CB 3.46Å; P350-T1014 PolarHBondContact O-N 2.69Å; P350-T1014 PolarHBondContact O-OG1 3.43Å | ||
| 351 | N | 88.4 | Confident | 83.3 | Confident | 70 Ų | 70 | 53.8 Ų | 53.8 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 131.8 | 173.7 | 175.9 | 95.5 | 0 | 0 | 0 | 111 | S370 T1014 | N351-S370 PolarHBondContact N-O 2.96Å; N351-S370 WeakPolarHBondContact O-CB 3.39Å; N351-S370 PolarHBondContact O-N 2.8Å; N351-T1014 WeakPolarHBondContact CA-O 3.19Å |
| 352 | L | 90.1 | Very high | 83.2 | Confident | 9 Ų | 9 | 55.4 Ų | 55.4 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 144.7 | 176.9 | -165.4 | 76.4 | 0 | 0 | 0 | 111.9 | M294 L298 P367 I368 L369 F1013 T1014 F1015 | M294-L352 HydrophobicContact CE-CD2 3.61Å; M294-L352 HydrophobicContact CE-CG 3.91Å; L298-L352 HydrophobicContact CD1-CD2 4.46Å; L298-L352 HydrophobicContact CD2-CD2 3.82Å; L298-L352 HydrophobicContact CG-CD2 4.36Å; L352-P367 HydrophobicContact CD1-CB 4.25Å; L352-I368 WeakPolarHBondContact CA-O 3.19Å; L352-L369 HydrophobicContact CB-CD1 4.08Å; L352-L369 HydrophobicContact CD1-CB 4.04Å; L352-L369 HydrophobicContact CD1-CD1 3.87Å; L352-F1013 HydrophobicContact CB-CD2 3.81Å; L352-F1013 HydrophobicContact CB-CE2 3.85Å; L352-F1013 HydrophobicContact CD2-CE2 3.72Å; L352-F1013 HydrophobicContact CD2-CZ 4.2Å; L352-F1013 HydrophobicContact CG-CE2 4.28Å; L352-T1014 PolarHBondContact N-O 3.25Å; L352-F1015 HydrophobicContact CB-CB 4.46Å |
| 353 | Y | 90 | Very high | 83 | Confident | 85 Ų | 85 | 56.8 Ų | 56.8 | 33% | 0.333 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 159.9 | 171.3 | 65.7 | -81.6 | 0 | 0 | 0 | 111.9 | L355 I368 | Y353-L355 HydrophobicContact CD2-CD2 4.35Å; Y353-L355 HydrophobicContact CE2-CD2 3.9Å; Y353-L355 HydrophobicContact CE2-CG 4.17Å; Y353-I368 WeakPolarHBondContact CD1-O 3.47Å; Y353-I368 HydrophobicContact CE1-CB 4.07Å; Y353-I368 HydrophobicContact CE1-CG2 3.83Å; Y353-I368 HydrophobicContact CE2-CB 4.15Å; Y353-I368 HydrophobicContact CE2-CG2 4.39Å; Y353-I368 PolarHBondContact N-O 3.46Å; Y353-I368 PolarHBondContact O-N 2.99Å; Y353-I368 WeakPolarHBondContact OH-CG2 2.62Å |
| 354 | G | 89.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 140.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | Y290 M294 R366 | Y290-G354 PolarHBondContact OH-N 3.48Å; M294-G354 VanDerWaalsContact SD-CA 3.57Å; G354-R366 CarbonylContact C-O 3.58Å; G354-R366 WeakPolarHBondContact CA-O 3.27Å |
| 355 | L | 90.5 | Very high | 83.4 | Confident | 34 Ų | 34 | 55.6 Ų | 55.6 | 18% | 0.178 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 121.7 | 170.3 | -66.5 | -179.7 | 0 | 0 | 0 | 111.4 | R275 D277 Y353 K357 L365 R366 I368 | R275-L355 HydrophobicContact CB-CD2 4.49Å; R275-L355 WeakPolarHBondContact O-CD2 3.42Å; D277-L355 HydrophobicContact CB-CB 4.27Å; Y353-L355 HydrophobicContact CD2-CD2 4.35Å; Y353-L355 HydrophobicContact CE2-CD2 3.9Å; Y353-L355 HydrophobicContact CE2-CG 4.17Å; L355-K357 PolarHBondContact O-N 3.49Å; L355-L365 CarbonylContact O-C 3.48Å; L355-L365 WeakPolarHBondContact O-CA 3.46Å; L355-R366 HydrophobicContact CB-CB 4.49Å; L355-R366 PolarHBondContact N-O 2.92Å; L355-R366 PolarHBondContact O-N 3.17Å; L355-I368 HydrophobicContact CD1-CG1 3.87Å; L355-I368 HydrophobicContact CG-CG1 4.12Å |
| 356 | P | 89.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 121.5 | -177.7 | -23.3 | 34.8 | 0 | 0 | 0 | 114.2 | L274 R275 D277 V283 I358 I363 L365 | L274-P356 HydrophobicContact CB-CG 4.23Å; L274-P356 HydrophobicContact CD1-CG 3.77Å; R275-P356 WeakPolarHBondContact O-CD 3.44Å; D277-P356 WeakPolarHBondContact CB-O 3.3Å; D277-P356 PolarHBondContact N-O 3.46Å; V283-P356 HydrophobicContact CB-CG 4.34Å; V283-P356 HydrophobicContact CG1-CB 4.2Å; V283-P356 HydrophobicContact CG1-CG 4.06Å; V283-P356 HydrophobicContact CG2-CB 4.43Å; P356-I358 VanDerWaalsContact C-N 3.28Å; P356-I358 HydrophobicContact CB-CG2 4.17Å; P356-I358 PolarHBondContact O-N 3.34Å; P356-I363 HydrophobicContact CB-CG2 3.8Å; P356-L365 HydrophobicContact CB-CD2 4.16Å; P356-L365 HydrophobicContact CG-CD2 3.88Å |
| 357 | K | 84.7 | Confident | 84.8 | Confident | 44 Ų | 44 | 51.6 Ų | 51.6 | 19% | 0.191 | 27% | 0.269 | C | S | . | . | trans | -80.1 | 67.4 | 174.3 | -60.9 | -169.9 | -178.6 | 176.7 | 0 | 111.5 | D277 L355 H359 K360 P364 | D277-K357 HydrophobicContact CB-CB 4.39Å; D277-K357 HydrophobicContact CB-CG 3.81Å; L355-K357 PolarHBondContact O-N 3.49Å; K357-H359 PolarHBondContact O-N 2.92Å; K357-K360 PolarHBondContact O-N 3.27Å; K357-P364 HydrophobicContact CB-CG 4.22Å; K357-P364 VanDerWaalsContact CB-O 3.32Å; K357-P364 WeakPolarHBondContact CB-O 3.18Å; K357-P364 HydrophobicContact CD-CG 4.35Å; K357-P364 WeakPolarHBondContact CG-O 3.37Å; K357-P364 PolarHBondContact N-O 2.85Å | ||
| 358 | I | 79.7 | Confident | 84.9 | Confident | 60 Ų | 60 | 52.2 Ų | 52.2 | 31% | 0.308 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 0.9 | -177.4 | 64.5 | 166.8 | 0 | 0 | 0 | 116.1 | P276 V283 P356 I363 | P276-I358 HydrophobicContact CB-CD1 3.68Å; P276-I358 HydrophobicContact CB-CG1 3.88Å; P276-I358 HydrophobicContact CB-CG2 4.45Å; P276-I358 HydrophobicContact CG-CD1 4.34Å; V283-I358 HydrophobicContact CG1-CG2 4.46Å; V283-I358 HydrophobicContact CG2-CG2 3.75Å; P356-I358 VanDerWaalsContact C-N 3.28Å; P356-I358 HydrophobicContact CB-CG2 4.17Å; P356-I358 PolarHBondContact O-N 3.34Å; I358-I363 HydrophobicContact CG2-CG2 4.07Å |
| 359 | H | 74.2 | Confident | 85.2 | Confident | 93 Ų | 93 | 48.3 Ų | 48.3 | 43% | 0.431 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -5.3 | 177.8 | 64.4 | -86.2 | 0 | 0 | 0 | 113.5 | D277 K357 | D277-H359 IonicContact OD2-CE1 2.7Å; D277-H359 PolarHBondContact OD2-CE1 2.85Å; K357-H359 PolarHBondContact O-N 2.92Å |
| 360 | K | 71.1 | Confident | 85.3 | Confident | 101 Ų | 101 | 49.4 Ų | 49.4 | 44% | 0.439 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -107.3 | 148 | 169.7 | -68.7 | -154 | 177 | -163.5 | 0 | 109.4 | K357 I363 P364 | K357-K360 PolarHBondContact O-N 3.27Å; K360-I363 PolarHBondContact O-N 3.23Å; K360-P364 HydrophobicContact CB-CG 4.43Å |
| 361 | P | 75.9 | Confident | 85.1 | Confident | 110 Ų | 110 | 49.5 Ų | 49.5 | 71% | 0.714 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 155.6 | 176.7 | 25.5 | -35 | 0 | 0 | 0 | 111.8 | I363 P364 | P361-I363 PolarHBondContact O-N 3Å; P361-P364 VanDerWaalsContact O-CD 3.3Å; P361-P364 WeakPolarHBondContact O-CD 3.22Å |
| 362 | N | 81 | Confident | 84.7 | Confident | 151 Ų | 151 | 56 Ų | 56 | 81% | 0.807 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | -4.3 | -174.1 | -59 | -5.9 | 0 | 0 | 0 | 116.2 | K293 | K293-N362 PolarHBondContact NZ-O 3.11Å; K293-N362 VanDerWaalsContact NZ-O 3.11Å |
| 363 | I | 83.2 | Confident | 84.1 | Confident | 36 Ų | 36 | 57.4 Ų | 57.4 | 19% | 0.185 | 29% | 0.292 | C | S | . | . | trans | 51.1 | 67.5 | 177.4 | -48.4 | 179.2 | 0 | 0 | 0 | 111.1 | L176 K293 P356 I358 K360 P361 | L176-I363 HydrophobicContact CD1-CD1 3.67Å; L176-I363 HydrophobicContact CD1-CG2 4.06Å; L176-I363 HydrophobicContact CD2-CD1 3.58Å; L176-I363 HydrophobicContact CG-CD1 4.29Å; K293-I363 PolarHBondContact NZ-O 2.94Å; P356-I363 HydrophobicContact CB-CG2 3.8Å; I358-I363 HydrophobicContact CG2-CG2 4.07Å; K360-I363 PolarHBondContact O-N 3.23Å; P361-I363 PolarHBondContact O-N 3Å | ||
| 364 | P | 87.2 | Confident | 84 | Confident | 55 Ų | 55 | 53.7 Ų | 53.7 | 36% | 0.357 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 157.6 | 172.6 | 28.9 | -35.2 | 0 | 0 | 0 | 111 | K357 K360 P361 | K357-P364 HydrophobicContact CB-CG 4.22Å; K357-P364 VanDerWaalsContact CB-O 3.32Å; K357-P364 WeakPolarHBondContact CB-O 3.18Å; K357-P364 HydrophobicContact CD-CG 4.35Å; K357-P364 WeakPolarHBondContact CG-O 3.37Å; K357-P364 PolarHBondContact N-O 2.85Å; K360-P364 HydrophobicContact CB-CG 4.43Å; P361-P364 VanDerWaalsContact O-CD 3.3Å; P361-P364 WeakPolarHBondContact O-CD 3.22Å |
| 365 | L | 89.5 | Confident | 83.8 | Confident | 11 Ų | 11 | 53.9 Ų | 53.9 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 143.4 | 175.8 | -55 | -179.2 | 0 | 0 | 0 | 110.2 | Y290 K293 M294 I297 L355 P356 | Y290-L365 HydrophobicContact CD2-CD1 3.74Å; Y290-L365 HydrophobicContact CD2-CD2 4.43Å; Y290-L365 HydrophobicContact CE2-CD1 3.91Å; K293-L365 HydrophobicContact CB-CD1 3.66Å; K293-L365 HydrophobicContact CB-CG 4.08Å; M294-L365 HydrophobicContact CG-CD1 3.69Å; M294-L365 HydrophobicContact SD-CB 4.4Å; M294-L365 HydrophobicContact SD-CD1 3.7Å; I297-L365 HydrophobicContact CD1-CB 4.24Å; L355-L365 CarbonylContact O-C 3.48Å; L355-L365 WeakPolarHBondContact O-CA 3.46Å; P356-L365 HydrophobicContact CB-CD2 4.16Å; P356-L365 HydrophobicContact CG-CD2 3.88Å |
| 366 | R | 88.8 | Confident | 83.8 | Confident | 60 Ų | 60 | 52.7 Ų | 52.7 | 23% | 0.226 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 118.5 | 159.4 | -173 | 175.1 | -102.5 | 142.7 | -18.8 | 108.1 | D277 G354 L355 I368 M1028 | D277-R366 VanDerWaalsContact CG-NH1 3.29Å; D277-R366 WeakPolarHBondContact OD1-CB 3.39Å; D277-R366 WeakPolarHBondContact OD1-CD 3.38Å; D277-R366 IonicContact OD1-CZ 3.45Å; D277-R366 IonicContact OD1-NE 2.76Å; D277-R366 IonicContact OD1-NH1 3.3Å; D277-R366 PolarHBondContact OD1-NH1 2.82Å; D277-R366 IonicContact OD2-NH1 2.81Å; D277-R366 PolarHBondContact OD2-NH1 3.45Å; D277-R366 VanDerWaalsContact OD2-NH1 3.11Å; G354-R366 CarbonylContact C-O 3.58Å; G354-R366 WeakPolarHBondContact CA-O 3.27Å; L355-R366 HydrophobicContact CB-CB 4.49Å; L355-R366 PolarHBondContact N-O 2.92Å; L355-R366 PolarHBondContact O-N 3.17Å; R366-I368 HydrophobicContact CG-CD1 4.05Å; R366-M1028 HydrophobicContact CG-CE 3.85Å; R366-M1028 HydrophobicContact CG-SD 4.38Å |
| 367 | P | 89.2 | Confident | 83.8 | Confident | 21 Ų | 21 | 54 Ų | 54 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 135.8 | 172.6 | 29.8 | -33.8 | 0 | 0 | 0 | 109.9 | I297 L352 M1028 | I297-P367 HydrophobicContact CG2-CB 4.49Å; I297-P367 HydrophobicContact CG2-CG 4.28Å; L352-P367 HydrophobicContact CD1-CB 4.25Å; P367-M1028 HydrophobicContact CG-SD 4.32Å; P367-M1028 WeakPolarHBondContact O-CB 3.36Å |
| 368 | I | 86.6 | Confident | 83.9 | Confident | 35 Ų | 35 | 55.2 Ų | 55.2 | 18% | 0.179 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 126.8 | 178 | -58.1 | -67.3 | 0 | 0 | 0 | 108.9 | L352 Y353 L355 R366 M1028 | L352-I368 WeakPolarHBondContact CA-O 3.19Å; Y353-I368 WeakPolarHBondContact CD1-O 3.47Å; Y353-I368 HydrophobicContact CE1-CB 4.07Å; Y353-I368 HydrophobicContact CE1-CG2 3.83Å; Y353-I368 HydrophobicContact CE2-CB 4.15Å; Y353-I368 HydrophobicContact CE2-CG2 4.39Å; Y353-I368 PolarHBondContact N-O 3.46Å; Y353-I368 PolarHBondContact O-N 2.99Å; Y353-I368 WeakPolarHBondContact OH-CG2 2.62Å; L355-I368 HydrophobicContact CD1-CG1 3.87Å; L355-I368 HydrophobicContact CG-CG1 4.12Å; R366-I368 HydrophobicContact CG-CD1 4.05Å; I368-M1028 CarbonylContact C-O 2.8Å; I368-M1028 WeakPolarHBondContact CA-O 3.5Å |
| 369 | L | 88.5 | Confident | 84.4 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 112.1 | 179.7 | -168.6 | 69.3 | 0 | 0 | 0 | 110.9 | P350 L352 M371 V1011 F1013 A1027 M1028 | P350-L369 HydrophobicContact CB-CD1 3.76Å; P350-L369 HydrophobicContact CB-CD2 3.98Å; P350-L369 HydrophobicContact CB-CG 3.72Å; P350-L369 HydrophobicContact CG-CD2 4.45Å; L352-L369 HydrophobicContact CB-CD1 4.08Å; L352-L369 HydrophobicContact CD1-CB 4.04Å; L352-L369 HydrophobicContact CD1-CD1 3.87Å; L369-M371 HydrophobicContact CD2-CG 3.86Å; L369-M371 HydrophobicContact CD2-SD 4.23Å; L369-M371 HydrophobicContact CG-CG 4.07Å; L369-M371 PolarHBondContact O-N 3.47Å; L369-M371 VanDerWaalsContact O-N 3.09Å; L369-V1011 HydrophobicContact CD2-CG1 3.97Å; L369-F1013 HydrophobicContact CD1-CB 3.59Å; L369-F1013 HydrophobicContact CD1-CD1 4.32Å; L369-F1013 HydrophobicContact CD1-CD2 4.14Å; L369-F1013 HydrophobicContact CD1-CG 3.79Å; L369-A1027 HydrophobicContact CB-CB 4.45Å; L369-A1027 HydrophobicContact CD2-CB 3.58Å; L369-M1028 PolarHBondContact N-O 2.97Å |
| 370 | S | 85.8 | Confident | 85.2 | Confident | 52 Ų | 52 | 48 Ų | 48 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 89.6 | 174.5 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | P350 N351 R372 | P350-S370 VanDerWaalsContact CA-O 3.28Å; P350-S370 WeakPolarHBondContact CA-O 3.36Å; N351-S370 PolarHBondContact N-O 2.96Å; N351-S370 WeakPolarHBondContact O-CB 3.39Å; N351-S370 PolarHBondContact O-N 2.8Å; S370-R372 PolarHBondContact O-N 3.37Å |
| 371 | M | 84.2 | Confident | 86 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | trans | -77.8 | 1.4 | 175.3 | -59.8 | -165 | 81.7 | 0 | 0 | 114.6 | P350 L369 G373 S374 H377 V1011 S1030 | P350-M371 HydrophobicContact CB-CG 4.07Å; P350-M371 HydrophobicContact CG-CB 4.42Å; P350-M371 HydrophobicContact CG-CE 4.05Å; P350-M371 HydrophobicContact CG-CG 4.02Å; L369-M371 HydrophobicContact CD2-CG 3.86Å; L369-M371 HydrophobicContact CD2-SD 4.23Å; L369-M371 HydrophobicContact CG-CG 4.07Å; L369-M371 PolarHBondContact O-N 3.47Å; L369-M371 VanDerWaalsContact O-N 3.09Å; M371-G373 PolarHBondContact O-N 2.96Å; M371-G373 VanDerWaalsContact O-N 3.12Å; M371-S374 WeakPolarHBondContact O-CB 3.38Å; M371-S374 PolarHBondContact O-N 2.87Å; M371-S374 PolarHBondContact O-OG 2.95Å; M371-H377 WeakPolarHBondContact O-CB 3.48Å; M371-H377 PolarHBondContact O-CD2 3.22Å; M371-V1011 HydrophobicContact CE-CG1 4.08Å; M371-S1030 VanDerWaalsContact SD-CA 3.51Å | ||
| 372 | R | 79.1 | Confident | 86.7 | Confident | 208 Ų | 208 | 42.8 Ų | 42.8 | 79% | 0.785 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 119 | 177.3 | 172.6 | -179 | -83.8 | -136.9 | -3.7 | 110 | S370 | S370-R372 PolarHBondContact O-N 3.37Š|
| 373 | G | 78 | Confident | 87.2 | Confident | 37 Ų | 37 | 35.6 Ų | 35.6 | 38% | 0.381 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.1 | 4.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | S347 V348 M371 | S347-G373 VanDerWaalsContact CA-O 3.31Å; S347-G373 WeakPolarHBondContact CA-O 3.43Å; S347-G373 WeakPolarHBondContact CB-O 3.14Å; V348-G373 PolarHBondContact N-O 2.8Å; M371-G373 PolarHBondContact O-N 2.96Å; M371-G373 VanDerWaalsContact O-N 3.12Å |
| 374 | S | 87 | Confident | 87.6 | Confident | 8 Ų | 8 | 35.2 Ų | 35.2 | 6% | 0.056 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -86.3 | 156.7 | 175.5 | 82.7 | 0 | 0 | 0 | 0 | 113.5 | V348 M371 T376 H377 | V348-S374 WeakPolarHBondContact O-CA 3.32Å; V348-S374 WeakPolarHBondContact O-CB 3.26Å; M371-S374 WeakPolarHBondContact O-CB 3.38Å; M371-S374 PolarHBondContact O-N 2.87Å; M371-S374 PolarHBondContact O-OG 2.95Å; S374-T376 PolarHBondContact O-N 3.48Å; S374-H377 WeakPolarHBondContact O-CB 3.32Å; S374-H377 PolarHBondContact O-N 2.81Å; S374-H377 VanDerWaalsContact O-N 3.13Å |
| 375 | P | 85.7 | Confident | 87.5 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -26.4 | -173.6 | -26.9 | 34.7 | 0 | 0 | 0 | 115.2 | V314 L317 E318 V321 P344 | V314-P375 HydrophobicContact CG1-CG 3.73Å; L317-P375 HydrophobicContact CB-CG 4.42Å; L317-P375 HydrophobicContact CD2-CB 4.22Å; L317-P375 HydrophobicContact CD2-CG 4.03Å; L317-P375 HydrophobicContact CG-CB 3.99Å; L317-P375 HydrophobicContact CG-CG 4.14Å; E318-P375 HydrophobicContact CG-CB 3.92Å; E318-P375 HydrophobicContact CG-CG 3.85Å; V321-P375 HydrophobicContact CG2-CB 4.48Å; P344-P375 HydrophobicContact CB-CB 4.34Å; P344-P375 HydrophobicContact CG-CB 4.48Å |
| 376 | T | 89.9 | Confident | 87.4 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 5% | 0.049 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -6.8 | -174.8 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | L317 V321 S374 L379 A380 | L317-T376 HydrophobicContact CD1-CG2 4.47Å; V321-T376 HydrophobicContact CG2-CG2 4.03Å; S374-T376 PolarHBondContact O-N 3.48Å; T376-L379 PolarHBondContact O-N 3.08Å; T376-A380 WeakPolarHBondContact O-CB 3.38Å; T376-A380 PolarHBondContact O-N 2.87Å |
| 377 | H | 89.7 | Confident | 87.6 | Confident | 29 Ų | 29 | 37.7 Ų | 37.7 | 13% | 0.134 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -48.7 | -168.4 | 179.7 | -111.5 | 0 | 0 | 0 | 114.1 | M371 S374 K381 | M371-H377 WeakPolarHBondContact O-CB 3.48Å; M371-H377 PolarHBondContact O-CD2 3.22Å; S374-H377 WeakPolarHBondContact O-CB 3.32Å; S374-H377 PolarHBondContact O-N 2.81Å; S374-H377 VanDerWaalsContact O-N 3.13Å; H377-K381 VanDerWaalsContact CE1-CE 3.43Å; H377-K381 WeakPolarHBondContact CE1-CE 3.29Å; H377-K381 PolarHBondContact CE1-NZ 3Å; H377-K381 WeakPolarHBondContact O-CG 3.34Å; H377-K381 PolarHBondContact O-N 3.25Å |
| 378 | E | 86.9 | Confident | 87.3 | Confident | 68 Ų | 68 | 39.4 Ų | 39.4 | 32% | 0.318 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -75.3 | -37.1 | 179.1 | -56.8 | -52.2 | 135.1 | 0 | 0 | 112.1 | L342 A380 K381 W382 | L342-E378 HydrophobicContact CD2-CB 4.24Å; L342-E378 WeakPolarHBondContact CD2-O 3.35Å; E378-A380 PolarHBondContact O-N 3.35Å; E378-K381 PolarHBondContact O-N 3.44Å; E378-K381 IonicContact OE1-NZ 3.55Å; E378-K381 PolarHBondContact OE1-NZ 3.41Å; E378-K381 WeakPolarHBondContact OE2-CD 3.36Å; E378-K381 WeakPolarHBondContact OE2-CE 3.45Å; E378-K381 IonicContact OE2-NZ 2.79Å; E378-K381 PolarHBondContact OE2-NZ 3.41Å; E378-W382 WeakPolarHBondContact O-CB 3.23Å; E378-W382 PolarHBondContact O-N 3.4Å |
| 379 | L | 90.8 | Very high | 86.9 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.3 | -46.1 | 171.2 | 176.1 | 60.8 | 0 | 0 | 0 | 111.4 | V321 L325 T376 K381 W382 L383 L1003 | V321-L379 HydrophobicContact CG1-CD2 4.11Å; V321-L379 HydrophobicContact CG2-CD2 4.47Å; L325-L379 HydrophobicContact CD2-CD1 4.17Å; T376-L379 PolarHBondContact O-N 3.08Å; L379-K381 PolarHBondContact O-N 3.29Å; L379-W382 HydrophobicContact CD1-CE3 3.98Å; L379-W382 HydrophobicContact CD1-CZ3 4.29Å; L379-W382 PolarHBondContact O-N 2.92Å; L379-L383 HydrophobicContact CD1-CD1 4.24Å; L379-L383 HydrophobicContact CD1-CG 4.2Å; L379-L383 HydrophobicContact CG-CD1 4.09Å; L379-L383 HydrophobicContact CG-CG 4.49Å; L379-L383 WeakPolarHBondContact O-CG 3.28Å; L379-L383 PolarHBondContact O-N 3.42Å; L379-L1003 HydrophobicContact CD2-CD2 4.35Å |
| 380 | A | 90.4 | Very high | 86.7 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T376 E378 W382 L383 V384 C1007 P1031 L1032 | T376-A380 WeakPolarHBondContact O-CB 3.38Å; T376-A380 PolarHBondContact O-N 2.87Å; E378-A380 PolarHBondContact O-N 3.35Å; A380-W382 VanDerWaalsContact C-N 3.33Å; A380-W382 PolarHBondContact O-N 3.08Å; A380-L383 PolarHBondContact O-N 3.41Å; A380-V384 VanDerWaalsContact O-CG2 3.3Å; A380-V384 WeakPolarHBondContact O-CG2 3.48Å; A380-V384 PolarHBondContact O-N 3.05Å; A380-C1007 HydrophobicContact CB-CB 4.35Å; A380-P1031 HydrophobicContact CB-CB 3.98Å; A380-P1031 HydrophobicContact CB-CG 4.02Å; A380-L1032 HydrophobicContact CB-CD1 3.87Å; A380-L1032 HydrophobicContact CB-CG 4.07Å |
| 381 | K | 87.7 | Confident | 86.6 | Confident | 89 Ų | 89 | 41.2 Ų | 41.2 | 39% | 0.387 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.7 | -40.8 | 171.9 | -75.8 | 159.7 | 154.3 | -175.2 | 0 | 112.5 | H377 E378 L379 V384 K385 P1031 | H377-K381 VanDerWaalsContact CE1-CE 3.43Å; H377-K381 WeakPolarHBondContact CE1-CE 3.29Å; H377-K381 PolarHBondContact CE1-NZ 3Å; H377-K381 WeakPolarHBondContact O-CG 3.34Å; H377-K381 PolarHBondContact O-N 3.25Å; E378-K381 PolarHBondContact O-N 3.44Å; E378-K381 IonicContact OE1-NZ 3.55Å; E378-K381 PolarHBondContact OE1-NZ 3.41Å; E378-K381 WeakPolarHBondContact OE2-CD 3.36Å; E378-K381 WeakPolarHBondContact OE2-CE 3.45Å; E378-K381 IonicContact OE2-NZ 2.79Å; E378-K381 PolarHBondContact OE2-NZ 3.41Å; L379-K381 PolarHBondContact O-N 3.29Å; K381-V384 WeakPolarHBondContact O-CB 3.23Å; K381-V384 PolarHBondContact O-N 3.16Å; K381-K385 PolarHBondContact O-N 2.65Å; K381-P1031 HydrophobicContact CG-CB 4.13Å; K381-P1031 HydrophobicContact CG-CG 4.15Å |
| 382 | W | 92.5 | Very high | 86 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 5% | 0.045 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -73.4 | -36.6 | -179.7 | 174.8 | 93.5 | 0 | 0 | 0 | 112.5 | L328 V333 I334 E338 L342 E378 L379 A380 V384 K385 L386 I995 | L328-W382 HydrophobicContact CD1-CH2 3.86Å; L328-W382 HydrophobicContact CD1-CZ3 3.83Å; L328-W382 HydrophobicContact CD2-CH2 4.33Å; V333-W382 HydrophobicContact CG1-CH2 4.1Å; V333-W382 HydrophobicContact CG1-CZ2 4.29Å; I334-W382 HydrophobicContact CG2-CH2 3.8Å; I334-W382 HydrophobicContact CG2-CZ2 3.11Å; E338-W382 PolarHBondContact OE1-NE1 2.96Å; L342-W382 HydrophobicContact CD1-CB 4.18Å; L342-W382 HydrophobicContact CD1-CD2 3.77Å; L342-W382 HydrophobicContact CD1-CE3 4.35Å; L342-W382 HydrophobicContact CD1-CG 3.66Å; L342-W382 HydrophobicContact CD2-CB 3.42Å; L342-W382 VanDerWaalsContact CD2-CB 3.42Å; L342-W382 HydrophobicContact CD2-CG 3.82Å; L342-W382 HydrophobicContact CG-CB 4.44Å; L342-W382 HydrophobicContact CG-CG 4.37Å; E378-W382 WeakPolarHBondContact O-CB 3.23Å; E378-W382 PolarHBondContact O-N 3.4Å; L379-W382 HydrophobicContact CD1-CE3 3.98Å; L379-W382 HydrophobicContact CD1-CZ3 4.29Å; L379-W382 PolarHBondContact O-N 2.92Å; A380-W382 VanDerWaalsContact C-N 3.33Å; A380-W382 PolarHBondContact O-N 3.08Å; W382-V384 VanDerWaalsContact C-N 3.3Å; W382-V384 PolarHBondContact O-N 2.77Å; W382-K385 WeakPolarHBondContact O-CA 3.42Å; W382-K385 WeakPolarHBondContact O-CB 3.36Å; W382-K385 PolarHBondContact O-N 2.98Å; W382-K385 VanDerWaalsContact O-N 3.11Å; W382-L386 HydrophobicContact CD2-CD1 4.39Å; W382-L386 HydrophobicContact CD2-CG 4.45Å; W382-L386 HydrophobicContact CE3-CD1 4.26Å; W382-L386 HydrophobicContact CH2-CD1 3.34Å; W382-L386 HydrophobicContact CH2-CG 4.33Å; W382-L386 HydrophobicContact CZ2-CD1 3.45Å; W382-L386 VanDerWaalsContact CZ2-CD1 3.45Å; W382-L386 HydrophobicContact CZ2-CD2 4.5Å; W382-L386 HydrophobicContact CZ2-CG 4.06Å; W382-L386 HydrophobicContact CZ3-CD1 3.77Å; W382-L386 PolarHBondContact O-N 2.97Å; W382-I995 HydrophobicContact CH2-CD1 4.11Å; W382-I995 HydrophobicContact CZ3-CD1 4.34Å |
| 383 | L | 91.4 | Very high | 85.9 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.2 | -40.8 | 167.8 | -69.9 | 169.9 | 0 | 0 | 0 | 111 | L379 A380 K385 L386 L387 L1000 L1003 L1032 | L379-L383 HydrophobicContact CD1-CD1 4.24Å; L379-L383 HydrophobicContact CD1-CG 4.2Å; L379-L383 HydrophobicContact CG-CD1 4.09Å; L379-L383 HydrophobicContact CG-CG 4.49Å; L379-L383 WeakPolarHBondContact O-CG 3.28Å; L379-L383 PolarHBondContact O-N 3.42Å; A380-L383 PolarHBondContact O-N 3.41Å; L383-K385 PolarHBondContact O-N 3Å; L383-L386 PolarHBondContact O-N 2.8Å; L383-L387 VanDerWaalsContact O-CB 3.28Å; L383-L387 WeakPolarHBondContact O-CB 3.49Å; L383-L387 VanDerWaalsContact O-CG 3.26Å; L383-L387 WeakPolarHBondContact O-CG 3.32Å; L383-L387 PolarHBondContact O-N 2.73Å; L383-L1000 HydrophobicContact CD2-CD1 4.46Å; L383-L1003 HydrophobicContact CD1-CB 4.23Å; L383-L1003 HydrophobicContact CD2-CB 4.32Å; L383-L1032 HydrophobicContact CB-CD1 4.46Å; L383-L1032 HydrophobicContact CB-CD2 4.18Å; L383-L1032 HydrophobicContact CD1-CD1 4.12Å |
| 384 | V | 90.5 | Very high | 86.1 | Confident | 28 Ų | 28 | 36.4 Ų | 36.4 | 17% | 0.17 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.5 | -37.9 | 171.9 | 170.7 | 0 | 0 | 0 | 0 | 112.3 | A380 K381 W382 N388 P1031 L1032 L1035 | A380-V384 VanDerWaalsContact O-CG2 3.3Å; A380-V384 WeakPolarHBondContact O-CG2 3.48Å; A380-V384 PolarHBondContact O-N 3.05Å; K381-V384 WeakPolarHBondContact O-CB 3.23Å; K381-V384 PolarHBondContact O-N 3.16Å; W382-V384 VanDerWaalsContact C-N 3.3Å; W382-V384 PolarHBondContact O-N 2.77Å; V384-N388 VanDerWaalsContact CG1-ND2 3.33Å; V384-N388 WeakPolarHBondContact CG1-ND2 3.39Å; V384-N388 WeakPolarHBondContact O-CB 3.5Å; V384-N388 PolarHBondContact O-N 3.29Å; V384-N388 VanDerWaalsContact O-N 3.07Å; V384-N388 PolarHBondContact O-ND2 3.47Å; V384-P1031 WeakPolarHBondContact CG2-O 3.32Å; V384-L1032 HydrophobicContact CG2-CD2 3.68Å; V384-L1032 HydrophobicContact CG2-CG 4.01Å; V384-L1035 HydrophobicContact CB-CD1 4.49Å; V384-L1035 HydrophobicContact CG1-CD1 4.43Å; V384-L1035 HydrophobicContact CG2-CD1 4.2Å |
| 385 | K | 86.1 | Confident | 86 | Confident | 128 Ų | 128 | 36.3 Ų | 36.3 | 56% | 0.557 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -60 | -46.1 | 173 | 178.7 | -167.1 | 168.9 | -165.5 | 0 | 111 | E338 K381 W382 L383 | E338-K385 IonicContact OE1-NZ 3.5Å; E338-K385 PolarHBondContact OE1-NZ 3.29Å; K381-K385 PolarHBondContact O-N 2.65Å; W382-K385 WeakPolarHBondContact O-CA 3.42Å; W382-K385 WeakPolarHBondContact O-CB 3.36Å; W382-K385 PolarHBondContact O-N 2.98Å; W382-K385 VanDerWaalsContact O-N 3.11Å; L383-K385 PolarHBondContact O-N 3Å |
| 386 | L | 87.6 | Confident | 85.6 | Confident | 46 Ų | 46 | 42.5 Ų | 42.5 | 24% | 0.241 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.6 | -38.1 | 178.4 | -72.6 | -169.5 | 0 | 0 | 0 | 114.2 | W382 L383 P389 I995 | W382-L386 HydrophobicContact CD2-CD1 4.39Å; W382-L386 HydrophobicContact CD2-CG 4.45Å; W382-L386 HydrophobicContact CE3-CD1 4.26Å; W382-L386 HydrophobicContact CH2-CD1 3.34Å; W382-L386 HydrophobicContact CH2-CG 4.33Å; W382-L386 HydrophobicContact CZ2-CD1 3.45Å; W382-L386 VanDerWaalsContact CZ2-CD1 3.45Å; W382-L386 HydrophobicContact CZ2-CD2 4.5Å; W382-L386 HydrophobicContact CZ2-CG 4.06Å; W382-L386 HydrophobicContact CZ3-CD1 3.77Å; W382-L386 PolarHBondContact O-N 2.97Å; L383-L386 PolarHBondContact O-N 2.8Å; L386-P389 WeakPolarHBondContact O-CD 3.45Å; L386-I995 HydrophobicContact CD1-CD1 3.88Å |
| 387 | L | 91 | Very high | 85.4 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -87.7 | -14.9 | -173.1 | -66.8 | 169.8 | 0 | 0 | 0 | 113.5 | L383 I390 R391 L982 I986 F993 L1000 L1004 L1035 | L383-L387 VanDerWaalsContact O-CB 3.28Å; L383-L387 WeakPolarHBondContact O-CB 3.49Å; L383-L387 VanDerWaalsContact O-CG 3.26Å; L383-L387 WeakPolarHBondContact O-CG 3.32Å; L383-L387 PolarHBondContact O-N 2.73Å; L387-I390 HydrophobicContact CD2-CD1 4.44Å; L387-I390 PolarHBondContact O-N 2.82Å; L387-R391 WeakPolarHBondContact O-CB 3.23Å; L387-R391 PolarHBondContact O-N 2.95Å; L387-L982 HydrophobicContact CD1-CD2 4.4Å; L387-I986 HydrophobicContact CD2-CD1 3.84Å; L387-F993 HydrophobicContact CD2-CZ 3.98Å; L387-L1000 HydrophobicContact CD2-CD1 4.42Å; L387-L1000 HydrophobicContact CD2-CD2 4.31Å; L387-L1004 HydrophobicContact CD1-CD2 3.85Å; L387-L1035 HydrophobicContact CB-CD1 3.82Å; L387-L1035 HydrophobicContact CD1-CD2 4.42Å |
| 388 | N | 83.7 | Confident | 85.2 | Confident | 58 Ų | 58 | 43.7 Ų | 43.7 | 31% | 0.31 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55.4 | -40.2 | 179.2 | -105.2 | -57.3 | 0 | 0 | 0 | 115.5 | V384 I390 R391 A392 | V384-N388 VanDerWaalsContact CG1-ND2 3.33Å; V384-N388 WeakPolarHBondContact CG1-ND2 3.39Å; V384-N388 WeakPolarHBondContact O-CB 3.5Å; V384-N388 PolarHBondContact O-N 3.29Å; V384-N388 VanDerWaalsContact O-N 3.07Å; V384-N388 PolarHBondContact O-ND2 3.47Å; N388-I390 VanDerWaalsContact C-N 3.31Å; N388-I390 PolarHBondContact O-N 2.86Å; N388-R391 WeakPolarHBondContact O-CB 3.41Å; N388-R391 PolarHBondContact OD1-NE 3.37Å; N388-R391 PolarHBondContact OD1-NH2 3.35Å; N388-A392 PolarHBondContact O-N 3.25Å |
| 389 | P | 78.6 | Confident | 84.8 | Confident | 82 Ų | 82 | 40.5 Ų | 40.5 | 53% | 0.532 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.5 | -36.6 | 173.5 | -23.7 | 35.3 | 0 | 0 | 0 | 112.9 | L386 A392 N393 | L386-P389 WeakPolarHBondContact O-CD 3.45Å; P389-A392 PolarHBondContact O-N 2.75Å; P389-N393 PolarHBondContact O-ND2 3.47Å |
| 390 | I | 83.4 | Confident | 83.8 | Confident | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -75.5 | -41.9 | -179.5 | -55.9 | -175.6 | 0 | 0 | 0 | 110.3 | L387 N388 A392 N393 L394 Y985 I986 F990 F993 | L387-I390 HydrophobicContact CD2-CD1 4.44Å; L387-I390 PolarHBondContact O-N 2.82Å; N388-I390 VanDerWaalsContact C-N 3.31Å; N388-I390 PolarHBondContact O-N 2.86Å; I390-A392 PolarHBondContact O-N 3.03Å; I390-N393 PolarHBondContact O-N 3Å; I390-L394 WeakPolarHBondContact O-CB 3.46Å; I390-L394 PolarHBondContact O-N 3.33Å; I390-Y985 HydrophobicContact CG2-CD1 4.12Å; I390-Y985 HydrophobicContact CG2-CE1 4.02Å; I390-I986 HydrophobicContact CD1-CD1 3.91Å; I390-I986 HydrophobicContact CD1-CG1 3.89Å; I390-I986 HydrophobicContact CG2-CD1 4.27Å; I390-I986 HydrophobicContact CG2-CG1 3.85Å; I390-F990 HydrophobicContact CD1-CG 4.46Å; I390-F990 HydrophobicContact CG2-CD2 4.2Å; I390-F990 HydrophobicContact CG2-CE2 4.15Å; I390-F993 HydrophobicContact CD1-CD2 3.5Å; I390-F993 VanDerWaalsContact CD1-CD2 3.5Å; I390-F993 HydrophobicContact CD1-CE2 3.51Å; I390-F993 HydrophobicContact CD1-CG 4.29Å; I390-F993 HydrophobicContact CD1-CZ 4.3Å |
| 391 | R | 83.9 | Confident | 82.4 | Confident | 42 Ų | 42 | 49.9 Ų | 49.9 | 16% | 0.158 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -51.3 | -40.8 | 171.3 | -170.9 | -173.5 | 74.4 | 78.7 | 4.4 | 111.8 | L387 N388 N393 C395 L1035 E1038 | L387-R391 WeakPolarHBondContact O-CB 3.23Å; L387-R391 PolarHBondContact O-N 2.95Å; N388-R391 WeakPolarHBondContact O-CB 3.41Å; N388-R391 PolarHBondContact OD1-NE 3.37Å; N388-R391 PolarHBondContact OD1-NH2 3.35Å; R391-N393 PolarHBondContact O-N 2.77Å; R391-C395 VanDerWaalsContact O-CB 3.27Å; R391-C395 WeakPolarHBondContact O-CB 3.27Å; R391-C395 PolarHBondContact O-N 3.44Å; R391-L1035 HydrophobicContact CG-CG 4.4Å; R391-E1038 VanDerWaalsContact CD-OE2 3.3Å; R391-E1038 WeakPolarHBondContact CD-OE2 3.1Å; R391-E1038 IonicContact CZ-OE2 2.68Å; R391-E1038 IonicContact NE-OE2 3.06Å; R391-E1038 IonicContact NH1-OE1 2.76Å; R391-E1038 PolarHBondContact NH1-OE1 2.68Å; R391-E1038 IonicContact NH1-OE2 3.68Å; R391-E1038 PolarHBondContact NH1-OE2 3.39Å |
| 392 | A | 72.3 | Confident | 81.2 | Confident | 67 Ų | 67 | 47 Ų | 47 | 55% | 0.554 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -68 | -29.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N388 P389 I390 | N388-A392 PolarHBondContact O-N 3.25Å; P389-A392 PolarHBondContact O-N 2.75Å; I390-A392 PolarHBondContact O-N 3.03Å |
| 393 | N | 76.7 | Confident | 79.8 | Confident | 81 Ų | 81 | 51.6 Ų | 51.6 | 43% | 0.433 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -87.2 | -32.7 | 177.8 | -68.2 | -33.5 | 0 | 0 | 0 | 112.7 | P389 I390 R391 K396 F990 | P389-N393 PolarHBondContact O-ND2 3.47Å; I390-N393 PolarHBondContact O-N 3Å; R391-N393 PolarHBondContact O-N 2.77Å; N393-K396 WeakPolarHBondContact O-CE 3.48Å; N393-K396 WeakPolarHBondContact O-CG 3.45Å; N393-F990 HydrophobicContact CB-CZ 4.03Å; N393-F990 WeakPolarHBondContact ND2-CZ 3.21Å |
| 394 | L | 83.1 | Confident | 78.6 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -76.8 | -58.7 | 178.5 | -179.1 | 50.1 | 0 | 0 | 0 | 111.8 | I390 K396 F981 L982 Y985 V1039 S1042 | I390-L394 WeakPolarHBondContact O-CB 3.46Å; I390-L394 PolarHBondContact O-N 3.33Å; L394-K396 PolarHBondContact O-N 3.37Å; L394-F981 HydrophobicContact CD1-CE1 3.89Å; L394-F981 HydrophobicContact CD1-CZ 3.82Å; L394-F981 HydrophobicContact CD2-CE1 4.03Å; L394-F981 HydrophobicContact CG-CE1 4.35Å; L394-L982 HydrophobicContact CD2-CD1 3.75Å; L394-Y985 HydrophobicContact CB-CD1 4.04Å; L394-Y985 HydrophobicContact CB-CE1 3.63Å; L394-Y985 HydrophobicContact CD1-CD1 3.92Å; L394-Y985 HydrophobicContact CD1-CD2 3.84Å; L394-Y985 HydrophobicContact CD1-CE1 4.02Å; L394-Y985 HydrophobicContact CD1-CE2 3.97Å; L394-Y985 HydrophobicContact CD1-CG 3.83Å; L394-Y985 HydrophobicContact CD2-CD1 3.88Å; L394-Y985 HydrophobicContact CD2-CE1 4.35Å; L394-Y985 HydrophobicContact CD2-CG 4.27Å; L394-Y985 HydrophobicContact CG-CD1 4.16Å; L394-Y985 HydrophobicContact CG-CE1 4.2Å; L394-V1039 HydrophobicContact CD2-CG1 4.29Å; L394-V1039 HydrophobicContact CD2-CG2 4.19Å; L394-S1042 PolarHBondContact O-OG 3.33Å; L394-S1042 VanDerWaalsContact O-OG 3.09Å |
| 395 | C | 83.8 | Confident | 77.2 | Confident | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | trans | -83.5 | 55.4 | -169.3 | -54.8 | 0 | 0 | 0 | 0 | 112 | R391 F397 S398 | R391-C395 VanDerWaalsContact O-CB 3.27Å; R391-C395 WeakPolarHBondContact O-CB 3.27Å; R391-C395 PolarHBondContact O-N 3.44Å; C395-F397 PolarHBondContact O-N 2.7Å; C395-S398 WeakPolarHBondContact O-CB 3.13Å; C395-S398 PolarHBondContact O-N 3.11Å | ||
| 396 | K | 78.7 | Confident | 75.9 | Confident | 133 Ų | 133 | 48.3 Ų | 48.3 | 58% | 0.578 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53 | -23.9 | -169 | -65.8 | 167.6 | -174 | 170.3 | 0 | 115.4 | N393 L394 | N393-K396 WeakPolarHBondContact O-CE 3.48Å; N393-K396 WeakPolarHBondContact O-CG 3.45Å; L394-K396 PolarHBondContact O-N 3.37Å |
| 397 | F | 85.1 | Confident | 74.5 | Confident | 48 Ų | 48 | 51.8 Ų | 51.8 | 21% | 0.211 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -5.3 | -178 | -57.3 | -67.8 | 0 | 0 | 0 | 114.4 | C395 E1045 I1052 Y1058 R1059 R1060 | C395-F397 PolarHBondContact O-N 2.7Å; F397-E1045 HydrophobicContact CD2-CB 4.01Å; F397-E1045 HydrophobicContact CD2-CG 4Å; F397-E1045 HydrophobicContact CE2-CB 4.21Å; F397-I1052 HydrophobicContact CE1-CG2 4.01Å; F397-I1052 HydrophobicContact CE2-CG2 4.04Å; F397-I1052 HydrophobicContact CZ-CG2 3.59Å; F397-Y1058 HydrophobicContact CB-CD1 3.77Å; F397-Y1058 HydrophobicContact CB-CE1 3.99Å; F397-Y1058 AromaticContact CD1-CD1 3.85Å; F397-Y1058 HydrophobicContact CD1-CD1 3.85Å; F397-Y1058 WeakPolarHBondContact CD1-O 3.36Å; F397-Y1058 HydrophobicContact CD2-CD1 4.13Å; F397-Y1058 HydrophobicContact CD2-CE1 4.28Å; F397-Y1058 HydrophobicContact CE1-CD1 4.46Å; F397-Y1058 AromaticContact CG-CD1 3.65Å; F397-Y1058 HydrophobicContact CG-CD1 3.65Å; F397-Y1058 HydrophobicContact CG-CE1 4.1Å; F397-R1059 WeakPolarHBondContact O-CA 3.26Å; F397-R1059 VanDerWaalsContact O-CD 3.26Å; F397-R1059 WeakPolarHBondContact O-CD 2.87Å; F397-R1060 PolarHBondContact O-N 3.47Å |
| 398 | S | 84.4 | Confident | 72.8 | Confident | 14 Ų | 14 | 56 Ų | 56 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -77.6 | 154.7 | -173.2 | -157.3 | 0 | 0 | 0 | 0 | 113.9 | C395 E1038 R1060 | C395-S398 WeakPolarHBondContact O-CB 3.13Å; C395-S398 PolarHBondContact O-N 3.11Å; S398-E1038 WeakPolarHBondContact CB-OE1 3.33Å; S398-E1038 PolarHBondContact OG-OE1 2.89Å; S398-R1060 CarbonylContact C-O 3.58Å; S398-R1060 VanDerWaalsContact CA-O 3.32Å; S398-R1060 WeakPolarHBondContact CA-O 2.95Å |
| 399 | L | 79.3 | Confident | 71.6 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | trans | -122.1 | 131.6 | -178.4 | -61.5 | 167.9 | 0 | 0 | 0 | 109.7 | E404 L405 F408 R1059 R1060 Y1061 | L399-E404 HydrophobicContact CD2-CG 4.28Å; L399-L405 HydrophobicContact CD1-CB 3.96Å; L399-L405 HydrophobicContact CD1-CD1 4.25Å; L399-L405 HydrophobicContact CD1-CD2 4.39Å; L399-L405 HydrophobicContact CD1-CG 4.42Å; L399-L405 HydrophobicContact CD2-CB 4.15Å; L399-F408 HydrophobicContact CD2-CD2 3.86Å; L399-F408 HydrophobicContact CD2-CE2 4.35Å; L399-R1059 HydrophobicContact CD1-CB 4.02Å; L399-R1059 HydrophobicContact CD2-CB 4.35Å; L399-R1059 HydrophobicContact CD2-CG 4.37Å; L399-R1059 HydrophobicContact CG-CB 4.25Å; L399-R1060 WeakPolarHBondContact CB-O 2.95Å; L399-R1060 WeakPolarHBondContact CG-O 3.49Å; L399-R1060 PolarHBondContact N-O 3.25Å; L399-Y1061 HydrophobicContact CB-CD2 4.42Å; L399-Y1061 VanDerWaalsContact O-CD2 3.3Å; L399-Y1061 WeakPolarHBondContact O-CD2 3.41Å | ||
| 400 | K | 69.2 | Low | 70.3 | Confident | 134 Ų | 134 | 52.6 Ų | 52.6 | 58% | 0.583 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -71.2 | -33.9 | 176.1 | -68.7 | 164.6 | -158.2 | 70.9 | 0 | 113.4 | E404 Y1061 | K400-E404 WeakPolarHBondContact CB-OE2 3.45Å; K400-E404 WeakPolarHBondContact CD-OE2 3.33Å; K400-E404 WeakPolarHBondContact CG-OE2 3.14Å; K400-E404 PolarHBondContact N-OE2 3.1Å; K400-E404 IonicContact NZ-OE1 2.58Å; K400-E404 PolarHBondContact NZ-OE1 3.45Å; K400-E404 IonicContact NZ-OE2 2.77Å; K400-E404 PolarHBondContact NZ-OE2 3.44Å; K400-Y1061 WeakPolarHBondContact O-CE2 3.48Å |
| 401 | D | 62.2 | Low | 68.6 | Low | 65 Ų | 65 | 57.1 Ų | 57.1 | 35% | 0.348 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -165.1 | -178 | 178.5 | 65.6 | 18.9 | 0 | 0 | 0 | 111.8 | F403 E404 | D401-F403 PolarHBondContact O-N 3.19Å; D401-F403 VanDerWaalsContact OD1-CA 3.27Å; D401-F403 WeakPolarHBondContact OD1-CA 3.16Å; D401-F403 VanDerWaalsContact OD1-CB 3.3Å; D401-F403 WeakPolarHBondContact OD1-CB 3.37Å; D401-F403 PolarHBondContact OD1-N 3.31Å; D401-E404 PolarHBondContact O-N 3.31Å; D401-E404 PolarHBondContact OD1-N 2.8Å |
| 402 | T | 62.7 | Low | 66.7 | Low | 28 Ų | 28 | 59.7 Ų | 59.7 | 17% | 0.172 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.3 | -17.1 | 175.5 | -42.4 | 0 | 0 | 0 | 0 | 113.7 | I406 L1104 I1106 | T402-I406 WeakPolarHBondContact O-CD1 3.46Å; T402-I406 VanDerWaalsContact O-CG1 3.23Å; T402-I406 WeakPolarHBondContact O-CG1 3.42Å; T402-I406 PolarHBondContact O-N 3.47Å; T402-L1104 HydrophobicContact CG2-CB 4.39Å; T402-L1104 HydrophobicContact CG2-CD1 4.38Å; T402-I1106 HydrophobicContact CG2-CB 4.3Å; T402-I1106 HydrophobicContact CG2-CD1 3.72Å; T402-I1106 HydrophobicContact CG2-CG1 3.73Å; T402-I1106 HydrophobicContact CG2-CG2 3.72Å |
| 403 | F | 63 | Low | 65.9 | Low | 110 Ų | 110 | 60.8 Ų | 60.8 | 48% | 0.482 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -85.5 | -35.4 | 177.5 | -58.8 | -76.5 | 0 | 0 | 0 | 111.9 | D401 L405 I406 D407 | D401-F403 PolarHBondContact O-N 3.19Å; D401-F403 VanDerWaalsContact OD1-CA 3.27Å; D401-F403 WeakPolarHBondContact OD1-CA 3.16Å; D401-F403 VanDerWaalsContact OD1-CB 3.3Å; D401-F403 WeakPolarHBondContact OD1-CB 3.37Å; D401-F403 PolarHBondContact OD1-N 3.31Å; F403-L405 VanDerWaalsContact C-N 3.26Å; F403-L405 PolarHBondContact O-N 3.23Å; F403-I406 HydrophobicContact CD1-CD1 4.19Å; F403-I406 CarbonylContact O-C 3.55Å; F403-I406 WeakPolarHBondContact O-CA 3.11Å; F403-I406 VanDerWaalsContact O-CB 3.29Å; F403-I406 WeakPolarHBondContact O-CB 3.12Å; F403-I406 PolarHBondContact O-N 2.7Å; F403-D407 PolarHBondContact O-N 3.32Å |
| 404 | E | 64.5 | Low | 65 | Low | 46 Ų | 46 | 57.3 Ų | 57.3 | 22% | 0.215 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62 | -34.3 | 172 | -175.4 | 152.8 | -110.6 | 0 | 0 | 111.9 | L399 K400 D401 I406 D407 F408 | L399-E404 HydrophobicContact CD2-CG 4.28Å; K400-E404 WeakPolarHBondContact CB-OE2 3.45Å; K400-E404 WeakPolarHBondContact CD-OE2 3.33Å; K400-E404 WeakPolarHBondContact CG-OE2 3.14Å; K400-E404 PolarHBondContact N-OE2 3.1Å; K400-E404 IonicContact NZ-OE1 2.58Å; K400-E404 PolarHBondContact NZ-OE1 3.45Å; K400-E404 IonicContact NZ-OE2 2.77Å; K400-E404 PolarHBondContact NZ-OE2 3.44Å; D401-E404 PolarHBondContact O-N 3.31Å; D401-E404 PolarHBondContact OD1-N 2.8Å; E404-I406 VanDerWaalsContact C-N 3.32Å; E404-I406 PolarHBondContact O-N 3.21Å; E404-D407 PolarHBondContact O-N 3.21Å; E404-F408 HydrophobicContact CG-CD2 3.85Å; E404-F408 HydrophobicContact CG-CE2 4.04Å; E404-F408 WeakPolarHBondContact O-CB 3.31Å; E404-F408 PolarHBondContact O-N 2.74Å |
| 405 | L | 62.9 | Low | 63.9 | Low | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.2 | -32.6 | 168.9 | 177.7 | 58.2 | 0 | 0 | 0 | 113.1 | L399 F403 D407 L409 L1066 F1103 I1106 | L399-L405 HydrophobicContact CD1-CB 3.96Å; L399-L405 HydrophobicContact CD1-CD1 4.25Å; L399-L405 HydrophobicContact CD1-CD2 4.39Å; L399-L405 HydrophobicContact CD1-CG 4.42Å; L399-L405 HydrophobicContact CD2-CB 4.15Å; F403-L405 VanDerWaalsContact C-N 3.26Å; F403-L405 PolarHBondContact O-N 3.23Å; L405-D407 VanDerWaalsContact C-N 3.31Å; L405-L409 HydrophobicContact CD1-CD1 4.08Å; L405-L409 HydrophobicContact CD1-CG 4.49Å; L405-L409 WeakPolarHBondContact O-CD1 3.42Å; L405-L409 WeakPolarHBondContact O-CG 3.3Å; L405-L1066 HydrophobicContact CD1-CD2 3.91Å; L405-L1066 HydrophobicContact CD2-CD2 4.14Å; L405-F1103 HydrophobicContact CD2-CD1 3.53Å; L405-F1103 HydrophobicContact CD2-CE1 3.62Å; L405-I1106 HydrophobicContact CD2-CD1 4.22Å |
| 406 | I | 58.4 | Low | 63 | Low | 40 Ų | 40 | 67 Ų | 67 | 21% | 0.205 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.3 | -32 | 175.4 | -72.2 | 169.8 | 0 | 0 | 0 | 110.3 | T402 F403 E404 R1118 | T402-I406 WeakPolarHBondContact O-CD1 3.46Å; T402-I406 VanDerWaalsContact O-CG1 3.23Å; T402-I406 WeakPolarHBondContact O-CG1 3.42Å; T402-I406 PolarHBondContact O-N 3.47Å; F403-I406 HydrophobicContact CD1-CD1 4.19Å; F403-I406 CarbonylContact O-C 3.55Å; F403-I406 WeakPolarHBondContact O-CA 3.11Å; F403-I406 VanDerWaalsContact O-CB 3.29Å; F403-I406 WeakPolarHBondContact O-CB 3.12Å; F403-I406 PolarHBondContact O-N 2.7Å; E404-I406 VanDerWaalsContact C-N 3.32Å; E404-I406 PolarHBondContact O-N 3.21Å; I406-R1118 HydrophobicContact CG1-CG 4.29Å; I406-R1118 PolarHBondContact O-NH1 2.87Å |
| 407 | D | 58.7 | Low | 62.6 | Low | 119 Ų | 119 | 63.9 Ų | 63.9 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -89.6 | -35.6 | -176.8 | -68.3 | -15.8 | 0 | 0 | 0 | 113.2 | F403 E404 L405 L409 G410 | F403-D407 PolarHBondContact O-N 3.32Å; E404-D407 PolarHBondContact O-N 3.21Å; L405-D407 VanDerWaalsContact C-N 3.31Å; D407-L409 PolarHBondContact O-N 3.27Å; D407-L409 VanDerWaalsContact O-N 3.1Å; D407-G410 WeakPolarHBondContact O-CA 3.36Å; D407-G410 PolarHBondContact O-N 3.46Å; D407-G410 VanDerWaalsContact O-N 3.11Å |
| 408 | F | 55.2 | Low | 62.2 | Low | 91 Ų | 91 | 62.4 Ų | 62.4 | 40% | 0.399 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.2 | -22.1 | 169.2 | -102.6 | -61.2 | 0 | 0 | 0 | 113.3 | L399 E404 | L399-F408 HydrophobicContact CD2-CD2 3.86Å; L399-F408 HydrophobicContact CD2-CE2 4.35Å; E404-F408 HydrophobicContact CG-CD2 3.85Å; E404-F408 HydrophobicContact CG-CE2 4.04Å; E404-F408 WeakPolarHBondContact O-CB 3.31Å; E404-F408 PolarHBondContact O-N 2.74Å |
| 409 | L | 58 | Low | 61.9 | Low | 20 Ų | 20 | 62 Ų | 62 | 11% | 0.105 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 52.1 | 173.3 | -61 | 172.2 | 0 | 0 | 0 | 109.8 | L405 D407 I954 L1057 I1116 R1118 | L405-L409 HydrophobicContact CD1-CD1 4.08Å; L405-L409 HydrophobicContact CD1-CG 4.49Å; L405-L409 WeakPolarHBondContact O-CD1 3.42Å; L405-L409 WeakPolarHBondContact O-CG 3.3Å; D407-L409 PolarHBondContact O-N 3.27Å; D407-L409 VanDerWaalsContact O-N 3.1Å; L409-I954 HydrophobicContact CD2-CD1 4.46Å; L409-L1057 HydrophobicContact CD2-CD2 3.73Å; L409-I1116 HydrophobicContact CD1-CD1 4.48Å; L409-R1118 PolarHBondContact O-NH2 3.33Å |
| 410 | G | 50 | Low | 62.3 | Low | 49 Ų | 49 | 63.9 Ų | 63.9 | 51% | 0.505 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -156.8 | -177.7 | -167.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | D407 | D407-G410 WeakPolarHBondContact O-CA 3.36Å; D407-G410 PolarHBondContact O-N 3.46Å; D407-G410 VanDerWaalsContact O-N 3.11Å |
| 411 | D | 48.1 | Very low | 63.2 | Low | 102 Ų | 102 | 57.8 Ų | 57.8 | 55% | 0.545 | 30% | 0.301 | S | S | . | . | trans | -74 | 154.2 | -168.8 | -77.3 | -69.7 | 0 | 0 | 0 | 116.2 | T573 | D411-T573 HydrophobicContact CB-CG2 4.49Š| ||
| 412 | I | 45 | Very low | 64.5 | Low | 96 Ų | 96 | 54.9 Ų | 54.9 | 49% | 0.492 | 29% | 0.285 | S | S | . | . | trans | -67.4 | 138.5 | 170.8 | -61.2 | 169.6 | 0 | 0 | 0 | 112.6 | I414 L951 | I412-I414 HydrophobicContact CG2-CG2 4.5Å; I412-L951 HydrophobicContact CD1-CD2 3.77Å | ||
| 413 | N | 54.4 | Low | 65.4 | Low | 90 Ų | 90 | 56.6 Ų | 56.6 | 48% | 0.481 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | -115.8 | 139.1 | 176.8 | -163.5 | -33.4 | 0 | 0 | 0 | 111.8 | K415 D571 G572 | N413-K415 WeakPolarHBondContact OD1-CB 3.38Å; N413-K415 PolarHBondContact OD1-N 2.81Å; N413-D571 PolarHBondContact ND2-O 2.78Å; N413-G572 VanDerWaalsContact OD1-C 3.24Å; N413-G572 VanDerWaalsContact OD1-CA 3.27Å; N413-G572 WeakPolarHBondContact OD1-CA 3.27Å; N413-G572 PolarHBondContact OD1-O 3.47Å; N413-G572 VanDerWaalsContact OD1-O 3.13Å |
| 414 | I | 57.6 | Low | 66.4 | Low | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | trans | -127.5 | 17.1 | -178.9 | 63 | 154 | 0 | 0 | 0 | 113.7 | I412 D416 K417 L419 R568 G572 I574 | I412-I414 HydrophobicContact CG2-CG2 4.5Å; I414-D416 PolarHBondContact O-N 2.94Å; I414-K417 HydrophobicContact CB-CB 4.36Å; I414-K417 PolarHBondContact O-N 2.9Å; I414-L419 HydrophobicContact CD1-CD1 3.4Å; I414-L419 VanDerWaalsContact CD1-CD1 3.4Å; I414-R568 PolarHBondContact O-NH1 2.98Å; I414-G572 WeakPolarHBondContact CG1-O 3.32Å; I414-G572 PolarHBondContact N-O 2.63Å; I414-I574 HydrophobicContact CD1-CD1 3.99Å; I414-I574 HydrophobicContact CD1-CG1 3.56Å; I414-I574 HydrophobicContact CG1-CD1 4.38Å; I414-I574 HydrophobicContact CG1-CG1 3.77Å; I414-I574 HydrophobicContact CG2-CD1 3.96Å; I414-I574 HydrophobicContact CG2-CG1 4.12Å | ||
| 415 | K | 61.3 | Low | 67.2 | Low | 128 Ų | 128 | 52.9 Ų | 52.9 | 56% | 0.557 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.1 | -43.4 | -170.1 | -169.3 | -172.6 | 172.3 | -150.2 | 0 | 114.1 | N413 R568 | N413-K415 WeakPolarHBondContact OD1-CB 3.38Å; N413-K415 PolarHBondContact OD1-N 2.81Å; K415-R568 PolarHBondContact O-NH1 2.79Å |
| 416 | D | 63.5 | Low | 67.8 | Low | 85 Ų | 85 | 56.6 Ų | 56.6 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 16.1 | -174.3 | -66.2 | -65 | 0 | 0 | 0 | 115.4 | I414 K529 | I414-D416 PolarHBondContact O-N 2.94Å; D416-K529 VanDerWaalsContact O-CD 3.28Å; D416-K529 WeakPolarHBondContact O-CD 3.37Å; D416-K529 WeakPolarHBondContact O-CE 3.42Å; D416-K529 VanDerWaalsContact O-CG 3.31Å; D416-K529 WeakPolarHBondContact O-CG 3.24Å; D416-K529 IonicContact OD1-NZ 3.11Å; D416-K529 PolarHBondContact OD1-NZ 2.86Å |
| 417 | K | 71.3 | Confident | 69.1 | Low | 66 Ų | 66 | 54.8 Ų | 54.8 | 29% | 0.287 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 155.8 | 176.6 | -62.6 | -165.1 | 174.6 | -165.4 | 0 | 112 | I414 T514 I526 C527 R568 | I414-K417 HydrophobicContact CB-CB 4.36Å; I414-K417 PolarHBondContact O-N 2.9Å; K417-T514 HydrophobicContact CD-CG2 3.85Å; K417-T514 PolarHBondContact NZ-OG1 2.89Å; K417-I526 HydrophobicContact CB-CG2 4.08Å; K417-C527 CarbonylContact C-O 3.56Å; K417-C527 WeakPolarHBondContact CA-O 3.46Å; K417-C527 VanDerWaalsContact CB-O 3.24Å; K417-C527 WeakPolarHBondContact CB-O 3.34Å; K417-R568 VanDerWaalsContact O-CZ 3.26Å; K417-R568 PolarHBondContact O-NH1 3.06Å; K417-R568 PolarHBondContact O-NH2 3.04Å |
| 418 | S | 75.8 | Confident | 70.3 | Confident | 18 Ų | 18 | 51 Ų | 51 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 160.3 | 180 | 68.3 | 0 | 0 | 0 | 0 | 112.6 | H420 I526 C527 | S418-H420 WeakPolarHBondContact CB-NE2 3.32Å; S418-H420 PolarHBondContact OG-NE2 3.32Å; S418-I526 WeakPolarHBondContact O-CA 3.49Å; S418-I526 WeakPolarHBondContact O-CG2 3.25Å; S418-C527 PolarHBondContact N-O 3.35Å; S418-C527 PolarHBondContact O-N 3.37Å; S418-C527 PolarHBondContact OG-SG 3.39Å |
| 419 | L | 79.5 | Confident | 71.6 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 137.5 | 178.1 | -95.3 | 76.8 | 0 | 0 | 0 | 110.9 | I414 I526 E554 L559 L566 | I414-L419 HydrophobicContact CD1-CD1 3.4Å; I414-L419 VanDerWaalsContact CD1-CD1 3.4Å; L419-I526 HydrophobicContact CD1-CD1 4.42Å; L419-I526 HydrophobicContact CD1-CG1 4.23Å; L419-I526 HydrophobicContact CD1-CG2 4.33Å; L419-I526 HydrophobicContact CG-CG1 4.19Å; L419-E554 HydrophobicContact CB-CB 4Å; L419-E554 HydrophobicContact CB-CG 4.42Å; L419-E554 VanDerWaalsContact O-CB 3.28Å; L419-E554 WeakPolarHBondContact O-CB 3.39Å; L419-E554 PolarHBondContact O-N 3.32Å; L419-E554 VanDerWaalsContact O-N 3.11Å; L419-L559 HydrophobicContact CB-CD2 4.15Å; L419-L559 HydrophobicContact CD2-CB 4.49Å; L419-L566 HydrophobicContact CD2-CB 4.16Å; L419-L566 HydrophobicContact CD2-CD1 3.89Å |
| 420 | H | 86.7 | Confident | 72.8 | Confident | 40 Ų | 40 | 48.8 Ų | 48.8 | 19% | 0.185 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 154.5 | 179.7 | -51.6 | -91.5 | 0 | 0 | 0 | 110.8 | S418 I525 C527 V533 H551 | S418-H420 WeakPolarHBondContact CB-NE2 3.32Å; S418-H420 PolarHBondContact OG-NE2 3.32Å; H420-I525 PolarHBondContact N-O 2.96Å; H420-I525 VanDerWaalsContact N-O 3.08Å; H420-I525 PolarHBondContact O-N 3.27Å; H420-C527 PolarHBondContact NE2-SG 3.12Å; H420-V533 HydrophobicContact CB-CG1 4.31Å; H420-H551 AromaticContact CG-NE2 3.86Å; H420-H551 AromaticContact ND1-CE1 3.92Å; H420-H551 AromaticContact ND1-NE2 3.27Å; H420-H551 PolarHBondContact ND1-NE2 3.02Å |
| 421 | S | 87.7 | Confident | 74.6 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 154.6 | 166.8 | 43.5 | 0 | 0 | 0 | 0 | 112.9 | I523 E552 L559 | S421-I523 CarbonylContact C-O 3.52Å; S421-I523 WeakPolarHBondContact CA-O 3.38Å; S421-I523 WeakPolarHBondContact CB-O 3.44Å; S421-E552 PolarHBondContact N-O 2.79Å; S421-E552 PolarHBondContact O-N 3.13Å; S421-E552 PolarHBondContact OG-O 2.96Å; S421-L559 WeakPolarHBondContact OG-CD1 3.26Å |
| 422 | F | 89.4 | Confident | 76.5 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 154.2 | 171.8 | -50.3 | -40.4 | 0 | 0 | 0 | 110.9 | D522 I523 I525 V533 L537 L540 T550 H551 | F422-D522 CarbonylContact O-C 3.58Å; F422-I523 HydrophobicContact CB-CB 4.14Å; F422-I523 HydrophobicContact CB-CD1 4.31Å; F422-I523 HydrophobicContact CD2-CB 4.45Å; F422-I523 HydrophobicContact CD2-CD1 4.29Å; F422-I523 HydrophobicContact CD2-CG2 4.41Å; F422-I523 PolarHBondContact N-O 2.83Å; F422-I523 PolarHBondContact O-N 3.39Å; F422-I525 HydrophobicContact CD2-CD1 3.98Å; F422-I525 HydrophobicContact CE2-CD1 3.41Å; F422-I525 VanDerWaalsContact CE2-CD1 3.41Å; F422-I525 HydrophobicContact CZ-CD1 3.81Å; F422-V533 HydrophobicContact CE1-CG1 4.02Å; F422-V533 HydrophobicContact CZ-CG1 3.8Å; F422-L537 HydrophobicContact CD1-CD1 3.97Å; F422-L537 HydrophobicContact CD2-CD1 4.27Å; F422-L537 HydrophobicContact CE1-CB 4.17Å; F422-L537 HydrophobicContact CE1-CD1 3.89Å; F422-L537 HydrophobicContact CE1-CD2 4.38Å; F422-L537 HydrophobicContact CE1-CG 4.38Å; F422-L537 HydrophobicContact CE2-CB 4.43Å; F422-L537 HydrophobicContact CE2-CD1 4.19Å; F422-L537 HydrophobicContact CG-CD1 4.17Å; F422-L537 HydrophobicContact CZ-CB 3.83Å; F422-L537 HydrophobicContact CZ-CD1 4.01Å; F422-L537 HydrophobicContact CZ-CG 4.42Å; F422-L540 HydrophobicContact CD2-CD1 4.14Å; F422-L540 HydrophobicContact CE2-CD1 3.83Å; F422-T550 WeakPolarHBondContact CA-O 3.47Å; F422-T550 VanDerWaalsContact CB-O 3.31Å; F422-T550 WeakPolarHBondContact CB-O 3.46Å; F422-H551 HydrophobicContact CD1-CB 3.98Å; F422-H551 AromaticContact CD1-CD2 3.7Å; F422-H551 HydrophobicContact CE1-CB 4.13Å; F422-H551 AromaticContact CE1-CD2 3.48Å; F422-H551 VanDerWaalsContact CE1-CD2 3.48Å; F422-H551 WeakPolarHBondContact CE1-CD2 3.09Å; F422-H551 AromaticContact CE1-CG 3.96Å |
| 423 | D | 82.8 | Confident | 78.5 | Confident | 63 Ų | 63 | 38.3 Ų | 38.3 | 34% | 0.337 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 139.7 | 174.2 | 175.8 | 44 | 0 | 0 | 0 | 111.3 | D521 M549 T550 | D423-D521 WeakPolarHBondContact CA-O 3.49Å; D423-M549 CarbonylContact O-C 3.53Å; D423-M549 WeakPolarHBondContact O-CA 3.43Å; D423-T550 PolarHBondContact N-O 2.8Å; D423-T550 PolarHBondContact O-N 2.83Å; D423-T550 PolarHBondContact O-OG1 2.73Å |
| 424 | V | 84.5 | Confident | 80.1 | Confident | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 115.3 | -174.5 | -176.5 | 0 | 0 | 0 | 0 | 112 | S426 L427 M499 D521 I547 M549 | V424-S426 PolarHBondContact O-N 3.19Å; V424-S426 VanDerWaalsContact O-N 3.16Å; V424-L427 HydrophobicContact CB-CB 4.45Å; V424-L427 HydrophobicContact CG1-CB 4.02Å; V424-L427 HydrophobicContact CG1-CD1 4.14Å; V424-M499 HydrophobicContact CG2-CE 3.83Å; V424-M499 HydrophobicContact CG2-SD 4.2Å; V424-D521 HydrophobicContact CB-CB 4.19Å; V424-D521 PolarHBondContact N-O 3.08Å; V424-I547 HydrophobicContact CG1-CD1 4.42Å; V424-I547 HydrophobicContact CG1-CG2 4.09Å; V424-M549 HydrophobicContact CG2-CG 4.2Å |
| 425 | N | 79.7 | Confident | 81.5 | Confident | 76 Ų | 76 | 42.6 Ų | 42.6 | 41% | 0.406 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 119 | 178.9 | -74.9 | -66.1 | 0 | 0 | 0 | 112.6 | L427 V548 T550 | N425-L427 PolarHBondContact O-N 3.34Å; N425-V548 PolarHBondContact N-O 2.98Å; N425-V548 VanDerWaalsContact N-O 3.17Å; N425-V548 PolarHBondContact ND2-O 3.29Å; N425-T550 VanDerWaalsContact ND2-CG2 3.34Å; N425-T550 WeakPolarHBondContact ND2-CG2 3.37Å |
| 426 | S | 76 | Confident | 82.9 | Confident | 79 Ų | 79 | 36.6 Ų | 36.6 | 55% | 0.552 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 18.8 | 169.4 | -62.4 | 0 | 0 | 0 | 0 | 116.9 | V424 F428 T429 | V424-S426 PolarHBondContact O-N 3.19Å; V424-S426 VanDerWaalsContact O-N 3.16Å; S426-F428 VanDerWaalsContact C-N 3.35Å; S426-F428 PolarHBondContact O-N 3.06Å; S426-T429 PolarHBondContact O-N 3.37Å; S426-T429 PolarHBondContact O-OG1 3.3Å; S426-T429 VanDerWaalsContact O-OG1 3.05Å |
| 427 | L | 85.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -15.2 | -64.9 | -175 | 179 | 56.5 | 0 | 0 | 0 | 116.2 | V424 N425 T429 N430 V431 A495 M499 D521 I547 | V424-L427 HydrophobicContact CB-CB 4.45Å; V424-L427 HydrophobicContact CG1-CB 4.02Å; V424-L427 HydrophobicContact CG1-CD1 4.14Å; N425-L427 PolarHBondContact O-N 3.34Å; L427-T429 VanDerWaalsContact C-N 3.34Å; L427-T429 PolarHBondContact O-N 3.16Å; L427-N430 CarbonylContact O-C 3.49Å; L427-N430 PolarHBondContact O-N 3.32Å; L427-V431 HydrophobicContact CD1-CG2 4.17Å; L427-V431 WeakPolarHBondContact O-CG2 3.35Å; L427-V431 PolarHBondContact O-N 2.89Å; L427-V431 VanDerWaalsContact O-N 3.11Å; L427-A495 HydrophobicContact CD2-CB 4.07Å; L427-A495 HydrophobicContact CG-CB 4.14Å; L427-M499 HydrophobicContact CD1-CG 4.16Å; L427-M499 HydrophobicContact CD1-SD 4.18Å; L427-M499 HydrophobicContact CD2-CG 4.46Å; L427-D521 HydrophobicContact CD2-CB 4.34Å; L427-I547 HydrophobicContact CD1-CD1 4.1Å |
| 428 | F | 85.2 | Confident | 85.2 | Confident | 39 Ų | 39 | 32.2 Ų | 32.2 | 17% | 0.171 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -52 | -39.6 | -176.1 | -67.3 | -94.8 | 0 | 0 | 0 | 115.5 | S426 N430 V484 M486 P492 A495 | S426-F428 VanDerWaalsContact C-N 3.35Å; S426-F428 PolarHBondContact O-N 3.06Å; F428-N430 PolarHBondContact O-N 3.15Å; F428-V484 HydrophobicContact CB-CG2 4.18Å; F428-V484 HydrophobicContact CD1-CG2 3.99Å; F428-V484 VanDerWaalsContact O-CG2 3.27Å; F428-V484 WeakPolarHBondContact O-CG2 3.27Å; F428-V484 PolarHBondContact O-N 3.22Å; F428-M486 HydrophobicContact CB-CE 3.89Å; F428-M486 HydrophobicContact CB-CG 3.93Å; F428-M486 HydrophobicContact CD2-CE 4.32Å; F428-M486 HydrophobicContact CG-CE 4.42Å; F428-M486 HydrophobicContact CG-CG 4.17Å; F428-P492 HydrophobicContact CE1-CB 4.4Å; F428-P492 HydrophobicContact CE1-CG 4.09Å; F428-P492 HydrophobicContact CZ-CG 4.48Å; F428-A495 HydrophobicContact CE1-CB 4.45Å |
| 429 | T | 80.5 | Confident | 86 | Confident | 27 Ų | 27 | 33.5 Ų | 33.5 | 17% | 0.166 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -78.9 | -10.6 | 179.3 | 49.1 | 0 | 0 | 0 | 0 | 113.1 | S426 L427 M486 K845 | S426-T429 PolarHBondContact O-N 3.37Å; S426-T429 PolarHBondContact O-OG1 3.3Å; S426-T429 VanDerWaalsContact O-OG1 3.05Å; L427-T429 VanDerWaalsContact C-N 3.34Å; L427-T429 PolarHBondContact O-N 3.16Å; T429-M486 HydrophobicContact CG2-CE 4.46Å; T429-K845 WeakPolarHBondContact O-CD 3.27Å; T429-K845 WeakPolarHBondContact O-CE 3.24Å; T429-K845 PolarHBondContact O-NZ 3.39Å |
| 430 | N | 84.6 | Confident | 86.6 | Confident | 39 Ų | 39 | 33.4 Ų | 33.4 | 21% | 0.209 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -117.3 | 5.4 | -172.5 | -62.5 | 28.8 | 0 | 0 | 0 | 112.2 | L427 F428 P432 D546 I547 | L427-N430 CarbonylContact O-C 3.49Å; L427-N430 PolarHBondContact O-N 3.32Å; F428-N430 PolarHBondContact O-N 3.15Å; N430-P432 VanDerWaalsContact O-CD 3.24Å; N430-P432 WeakPolarHBondContact O-CD 3.31Å; N430-D546 HydrophobicContact CB-CB 4.38Å; N430-D546 PolarHBondContact ND2-O 3.23Å; N430-I547 HydrophobicContact CB-CD1 4.09Å |
| 431 | V | 86.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -68.7 | 115.2 | 169.9 | 178.3 | 0 | 0 | 0 | 0 | 109.2 | L427 L433 T436 G483 V484 A495 F498 | L427-V431 HydrophobicContact CD1-CG2 4.17Å; L427-V431 WeakPolarHBondContact O-CG2 3.35Å; L427-V431 PolarHBondContact O-N 2.89Å; L427-V431 VanDerWaalsContact O-N 3.11Å; V431-L433 PolarHBondContact O-N 2.9Å; V431-T436 HydrophobicContact CG1-CG2 4.03Å; V431-T436 VanDerWaalsContact CG1-OG1 3.3Å; V431-T436 WeakPolarHBondContact CG1-OG1 3.47Å; V431-G483 WeakPolarHBondContact O-CA 3.37Å; V431-V484 HydrophobicContact CB-CG2 4.2Å; V431-V484 HydrophobicContact CG2-CG2 4.05Å; V431-A495 HydrophobicContact CG2-CB 4.1Å; V431-F498 HydrophobicContact CG1-CB 4Å; V431-F498 HydrophobicContact CG1-CG 4.37Å | ||
| 432 | P | 88.3 | Confident | 86.9 | Confident | 16 Ų | 16 | 35.3 Ų | 35.3 | 10% | 0.104 | 19% | 0.192 | C | C | . | . | trans | -70.5 | 96.9 | 175.7 | 29 | -34.1 | 0 | 0 | 0 | 109.3 | N430 T434 K435 T436 F498 Q544 | N430-P432 VanDerWaalsContact O-CD 3.24Å; N430-P432 WeakPolarHBondContact O-CD 3.31Å; P432-T434 PolarHBondContact O-N 2.78Å; P432-K435 HydrophobicContact CB-CB 4.26Å; P432-K435 HydrophobicContact CB-CD 4.27Å; P432-K435 HydrophobicContact CB-CG 4.38Å; P432-K435 HydrophobicContact CG-CB 4.25Å; P432-K435 HydrophobicContact CG-CD 4.31Å; P432-K435 PolarHBondContact O-N 3.42Å; P432-T436 WeakPolarHBondContact O-CB 3.38Å; P432-T436 PolarHBondContact O-N 3.32Å; P432-T436 PolarHBondContact O-OG1 3.03Å; P432-F498 HydrophobicContact CG-CD2 3.69Å; P432-F498 HydrophobicContact CG-CE2 3.36Å; P432-F498 HydrophobicContact CG-CZ 4.12Å; P432-Q544 HydrophobicContact CG-CG 4.46Å | ||
| 433 | L | 86.8 | Confident | 86.9 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 6% | 0.058 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.8 | -45.1 | -164.2 | 172.7 | 60.1 | 0 | 0 | 0 | 113.2 | V431 T436 V437 L463 T466 A467 V484 L494 | V431-L433 PolarHBondContact O-N 2.9Å; L433-T436 PolarHBondContact O-N 3.33Å; L433-V437 HydrophobicContact CD1-CG2 3.89Å; L433-V437 WeakPolarHBondContact O-CG2 3.37Å; L433-V437 PolarHBondContact O-N 3.31Å; L433-L463 HydrophobicContact CD2-CD2 4.23Å; L433-L463 HydrophobicContact CG-CD2 4.13Å; L433-T466 WeakPolarHBondContact CD1-OG1 3.4Å; L433-T466 WeakPolarHBondContact CD2-OG1 3.43Å; L433-A467 HydrophobicContact CD2-CB 3.81Å; L433-V484 HydrophobicContact CD1-CG1 3.98Å; L433-L494 HydrophobicContact CD1-CD1 3.79Å |
| 434 | T | 87.6 | Confident | 87.1 | Confident | 84 Ų | 84 | 34.3 Ų | 34.3 | 52% | 0.515 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.6 | -55.2 | -179.5 | 47.2 | 0 | 0 | 0 | 0 | 111.6 | P432 T436 V437 D438 | P432-T434 PolarHBondContact O-N 2.78Å; T434-T436 PolarHBondContact O-N 3.22Å; T434-T436 VanDerWaalsContact O-N 3.15Å; T434-V437 PolarHBondContact O-N 2.86Å; T434-V437 VanDerWaalsContact O-N 3.17Å; T434-D438 WeakPolarHBondContact O-CB 3.28Å; T434-D438 VanDerWaalsContact O-CG 3.3Å; T434-D438 PolarHBondContact O-N 2.84Å |
| 435 | K | 87.9 | Confident | 87 | Confident | 104 Ų | 104 | 36.9 Ų | 36.9 | 45% | 0.452 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -51.3 | -39.8 | 174.6 | -66.8 | -169.7 | 180 | -172.1 | 0 | 112.2 | P432 F439 | P432-K435 HydrophobicContact CB-CB 4.26Å; P432-K435 HydrophobicContact CB-CD 4.27Å; P432-K435 HydrophobicContact CB-CG 4.38Å; P432-K435 HydrophobicContact CG-CB 4.25Å; P432-K435 HydrophobicContact CG-CD 4.31Å; P432-K435 PolarHBondContact O-N 3.42Å; K435-F439 VanDerWaalsContact O-CB 3.29Å; K435-F439 WeakPolarHBondContact O-CB 3.28Å; K435-F439 PolarHBondContact O-N 2.86Å |
| 436 | T | 90.8 | Very high | 87.2 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.4 | -43.5 | -177.8 | -55.5 | 0 | 0 | 0 | 0 | 112.5 | V431 P432 L433 T434 L440 L494 V497 F498 | V431-T436 HydrophobicContact CG1-CG2 4.03Å; V431-T436 VanDerWaalsContact CG1-OG1 3.3Å; V431-T436 WeakPolarHBondContact CG1-OG1 3.47Å; P432-T436 WeakPolarHBondContact O-CB 3.38Å; P432-T436 PolarHBondContact O-N 3.32Å; P432-T436 PolarHBondContact O-OG1 3.03Å; L433-T436 PolarHBondContact O-N 3.33Å; T434-T436 PolarHBondContact O-N 3.22Å; T434-T436 VanDerWaalsContact O-N 3.15Å; T436-L440 WeakPolarHBondContact O-CB 3.47Å; T436-L440 PolarHBondContact O-N 3.02Å; T436-L440 VanDerWaalsContact O-N 3.15Å; T436-L494 HydrophobicContact CG2-CB 4.12Å; T436-L494 HydrophobicContact CG2-CD2 4.19Å; T436-L494 WeakPolarHBondContact CG2-O 3.49Å; T436-V497 HydrophobicContact CG2-CB 4.24Å; T436-V497 HydrophobicContact CG2-CG1 3.89Å; T436-F498 HydrophobicContact CG2-CB 3.89Å |
| 437 | V | 91.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.3 | -39.3 | 174.9 | 171 | 0 | 0 | 0 | 0 | 110.6 | L433 T434 L440 C441 K459 L462 L463 L494 | L433-V437 HydrophobicContact CD1-CG2 3.89Å; L433-V437 WeakPolarHBondContact O-CG2 3.37Å; L433-V437 PolarHBondContact O-N 3.31Å; T434-V437 PolarHBondContact O-N 2.86Å; T434-V437 VanDerWaalsContact O-N 3.17Å; V437-L440 WeakPolarHBondContact O-CB 3.48Å; V437-L440 PolarHBondContact O-N 3.11Å; V437-C441 WeakPolarHBondContact O-CB 3.46Å; V437-C441 PolarHBondContact O-N 2.79Å; V437-C441 PolarHBondContact O-SG 3.42Å; V437-K459 HydrophobicContact CG1-CB 4.09Å; V437-K459 HydrophobicContact CG1-CG 3.9Å; V437-L462 HydrophobicContact CG1-CB 4.18Å; V437-L462 HydrophobicContact CG1-CD1 3.95Å; V437-L462 HydrophobicContact CG2-CB 4.18Å; V437-L462 HydrophobicContact CG2-CD1 4.39Å; V437-L463 HydrophobicContact CG2-CD2 4.37Å; V437-L494 HydrophobicContact CG2-CD2 4.13Å |
| 438 | D | 92.3 | Very high | 87.5 | Confident | 58 Ų | 58 | 43.6 Ų | 43.6 | 31% | 0.31 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.8 | -47.8 | 179 | -71.4 | -24 | 0 | 0 | 0 | 111.5 | T434 L440 C441 D442 K459 | T434-D438 WeakPolarHBondContact O-CB 3.28Å; T434-D438 VanDerWaalsContact O-CG 3.3Å; T434-D438 PolarHBondContact O-N 2.84Å; D438-L440 VanDerWaalsContact C-N 3.29Å; D438-L440 PolarHBondContact O-N 3.03Å; D438-C441 PolarHBondContact O-N 2.89Å; D438-D442 WeakPolarHBondContact O-CB 3.31Å; D438-D442 PolarHBondContact O-N 3.37Å; D438-K459 VanDerWaalsContact CG-NZ 3.3Å; D438-K459 VanDerWaalsContact OD1-CD 3.25Å; D438-K459 WeakPolarHBondContact OD1-CD 3.31Å; D438-K459 WeakPolarHBondContact OD1-CE 3.34Å; D438-K459 IonicContact OD1-NZ 3.9Å; D438-K459 PolarHBondContact OD1-NZ 3.06Å; D438-K459 IonicContact OD2-NZ 3.8Å; D438-K459 PolarHBondContact OD2-NZ 2.76Å |
| 439 | F | 92.3 | Very high | 87 | Confident | 46 Ų | 46 | 47.1 Ų | 47.1 | 20% | 0.202 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.5 | -40 | 172.4 | 173.4 | -109.6 | 0 | 0 | 0 | 112.9 | K435 Y443 V497 Y501 L936 | K435-F439 VanDerWaalsContact O-CB 3.29Å; K435-F439 WeakPolarHBondContact O-CB 3.28Å; K435-F439 PolarHBondContact O-N 2.86Å; F439-Y443 VanDerWaalsContact O-CB 3.28Å; F439-Y443 WeakPolarHBondContact O-CB 3.25Å; F439-Y443 PolarHBondContact O-N 3.11Å; F439-V497 HydrophobicContact CD1-CG1 3.86Å; F439-V497 HydrophobicContact CE1-CG1 4.32Å; F439-Y501 AromaticContact CD2-CD2 3.82Å; F439-Y501 HydrophobicContact CD2-CD2 3.82Å; F439-Y501 HydrophobicContact CE2-CD2 4.09Å; F439-Y501 HydrophobicContact CG-CD2 4.14Å; F439-L936 HydrophobicContact CE1-CD1 3.88Å; F439-L936 HydrophobicContact CE1-CD2 4.1Å; F439-L936 HydrophobicContact CE1-CG 4.37Å; F439-L936 HydrophobicContact CZ-CD1 3.8Å |
| 440 | L | 91.8 | Very high | 86.9 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.8 | -47.9 | 176.1 | -176.3 | 57.2 | 0 | 0 | 0 | 112.1 | T436 V437 D438 Y443 I444 L462 L493 L494 V497 L929 I932 L936 | T436-L440 WeakPolarHBondContact O-CB 3.47Å; T436-L440 PolarHBondContact O-N 3.02Å; T436-L440 VanDerWaalsContact O-N 3.15Å; V437-L440 WeakPolarHBondContact O-CB 3.48Å; V437-L440 PolarHBondContact O-N 3.11Å; D438-L440 VanDerWaalsContact C-N 3.29Å; D438-L440 PolarHBondContact O-N 3.03Å; L440-Y443 PolarHBondContact O-N 3.29Å; L440-I444 HydrophobicContact CD1-CD1 3.95Å; L440-I444 HydrophobicContact CD1-CG1 4.37Å; L440-I444 HydrophobicContact CG-CD1 3.89Å; L440-I444 WeakPolarHBondContact O-CB 3.31Å; L440-I444 VanDerWaalsContact O-CG1 3.25Å; L440-I444 WeakPolarHBondContact O-CG1 3.33Å; L440-I444 PolarHBondContact O-N 3.27Å; L440-L462 HydrophobicContact CD2-CD1 4.15Å; L440-L493 HydrophobicContact CD2-CD2 4.33Å; L440-L494 HydrophobicContact CD2-CD2 4.38Å; L440-V497 HydrophobicContact CB-CG1 4Å; L440-V497 HydrophobicContact CD1-CG1 4.39Å; L440-V497 HydrophobicContact CD1-CG2 4.09Å; L440-V497 HydrophobicContact CD2-CG2 4.5Å; L440-L929 HydrophobicContact CD2-CD1 4.25Å; L440-L929 HydrophobicContact CD2-CD2 4.46Å; L440-I932 HydrophobicContact CD1-CG2 4.39Å; L440-L936 HydrophobicContact CD1-CD2 4.01Å |
| 441 | C | 91.2 | Very high | 86.9 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.027 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.9 | -38.5 | -179.8 | -79.1 | 0 | 0 | 0 | 0 | 111.9 | V437 D438 I444 S445 S455 | V437-C441 WeakPolarHBondContact O-CB 3.46Å; V437-C441 PolarHBondContact O-N 2.79Å; V437-C441 PolarHBondContact O-SG 3.42Å; D438-C441 PolarHBondContact O-N 2.89Å; C441-I444 PolarHBondContact O-N 3.04Å; C441-S445 WeakPolarHBondContact O-CB 3.13Å; C441-S445 PolarHBondContact O-N 3.38Å; C441-S445 PolarHBondContact O-OG 3.14Å; C441-S455 WeakPolarHBondContact CB-OG 3.32Å; C441-S455 PolarHBondContact O-OG 3.41Å |
| 442 | D | 89.1 | Confident | 86.6 | Confident | 82 Ų | 82 | 57.2 Ų | 57.2 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 171.6 | -107 | 39.1 | 0 | 0 | 0 | 111.9 | D438 I444 S445 K446 | D438-D442 WeakPolarHBondContact O-CB 3.31Å; D438-D442 PolarHBondContact O-N 3.37Å; D442-I444 PolarHBondContact O-N 2.97Å; D442-S445 PolarHBondContact O-N 3.39Å; D442-K446 WeakPolarHBondContact O-CB 3.3Å; D442-K446 WeakPolarHBondContact O-CG 3.33Å; D442-K446 PolarHBondContact O-N 3.47Å; D442-K446 IonicContact OD2-NZ 2.73Å; D442-K446 PolarHBondContact OD2-NZ 3.35Å |
| 443 | Y | 89.8 | Confident | 86.5 | Confident | 41 Ų | 41 | 56.5 Ų | 56.5 | 16% | 0.161 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 178.6 | -179.4 | -101.4 | 0 | 0 | 0 | 111.6 | F439 L440 K446 N447 F448 I932 L936 | F439-Y443 VanDerWaalsContact O-CB 3.28Å; F439-Y443 WeakPolarHBondContact O-CB 3.25Å; F439-Y443 PolarHBondContact O-N 3.11Å; L440-Y443 PolarHBondContact O-N 3.29Å; Y443-K446 PolarHBondContact O-N 3.35Å; Y443-N447 VanDerWaalsContact CD2-ND2 3.26Å; Y443-N447 WeakPolarHBondContact CD2-ND2 3.33Å; Y443-N447 HydrophobicContact CE2-CB 4.41Å; Y443-N447 WeakPolarHBondContact CE2-ND2 3.48Å; Y443-N447 WeakPolarHBondContact O-CB 3.49Å; Y443-N447 PolarHBondContact O-N 2.79Å; Y443-N447 PolarHBondContact O-ND2 2.96Å; Y443-F448 HydrophobicContact CD1-CE2 4.48Å; Y443-F448 HydrophobicContact CE1-CD2 4.45Å; Y443-F448 AromaticContact CE1-CE2 3.78Å; Y443-F448 HydrophobicContact CE1-CE2 3.78Å; Y443-I932 HydrophobicContact CD1-CG2 3.96Å; Y443-I932 HydrophobicContact CE1-CG2 3.93Å; Y443-L936 HydrophobicContact CD1-CB 4.09Å; Y443-L936 HydrophobicContact CD1-CD1 3.95Å; Y443-L936 HydrophobicContact CD1-CD2 3.88Å; Y443-L936 HydrophobicContact CD1-CG 4.2Å; Y443-L936 HydrophobicContact CD2-CD1 3.82Å; Y443-L936 HydrophobicContact CE1-CB 3.65Å; Y443-L936 HydrophobicContact CE1-CD1 4.02Å; Y443-L936 HydrophobicContact CE1-CD2 4.32Å; Y443-L936 HydrophobicContact CE1-CG 4.21Å; Y443-L936 HydrophobicContact CE2-CD1 3.92Å; Y443-L936 HydrophobicContact CG-CD1 3.85Å; Y443-L936 HydrophobicContact CG-CD2 4.26Å |
| 444 | I | 87 | Confident | 86.4 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 174 | -70.1 | 168.2 | 0 | 0 | 0 | 110.6 | L440 C441 D442 K446 N447 F448 F451 L458 L929 I932 | L440-I444 HydrophobicContact CD1-CD1 3.95Å; L440-I444 HydrophobicContact CD1-CG1 4.37Å; L440-I444 HydrophobicContact CG-CD1 3.89Å; L440-I444 WeakPolarHBondContact O-CB 3.31Å; L440-I444 VanDerWaalsContact O-CG1 3.25Å; L440-I444 WeakPolarHBondContact O-CG1 3.33Å; L440-I444 PolarHBondContact O-N 3.27Å; C441-I444 PolarHBondContact O-N 3.04Å; D442-I444 PolarHBondContact O-N 2.97Å; I444-K446 VanDerWaalsContact C-N 3.28Å; I444-K446 PolarHBondContact O-N 2.98Å; I444-N447 PolarHBondContact O-N 3.41Å; I444-F448 HydrophobicContact CG2-CB 4.36Å; I444-F448 CarbonylContact O-C 3.51Å; I444-F448 VanDerWaalsContact O-C 3.26Å; I444-F448 VanDerWaalsContact O-CA 3.3Å; I444-F448 WeakPolarHBondContact O-CA 3.22Å; I444-F448 PolarHBondContact O-N 3.31Å; I444-F451 HydrophobicContact CG2-CB 3.73Å; I444-F451 HydrophobicContact CG2-CD1 3.94Å; I444-F451 HydrophobicContact CG2-CD2 4.45Å; I444-F451 HydrophobicContact CG2-CG 3.78Å; I444-L458 HydrophobicContact CD1-CD2 3.57Å; I444-L929 HydrophobicContact CD1-CD2 3.65Å; I444-I932 HydrophobicContact CD1-CD1 3.87Å; I444-I932 HydrophobicContact CD1-CG2 4.44Å; I444-I932 HydrophobicContact CG1-CD1 3.87Å; I444-I932 HydrophobicContact CG1-CG1 4.43Å; I444-I932 HydrophobicContact CG1-CG2 3.92Å |
| 445 | S | 82.4 | Confident | 86.2 | Confident | 57 Ų | 57 | 56.8 Ų | 56.8 | 40% | 0.399 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.5 | -37.8 | -179.6 | -54.2 | 0 | 0 | 0 | 0 | 112.3 | C441 D442 S455 | C441-S445 WeakPolarHBondContact O-CB 3.13Å; C441-S445 PolarHBondContact O-N 3.38Å; C441-S445 PolarHBondContact O-OG 3.14Å; D442-S445 PolarHBondContact O-N 3.39Å; S445-S455 WeakPolarHBondContact OG-CB 3.3Å; S445-S455 PolarHBondContact OG-OG 3.36Å |
| 446 | K | 84.1 | Confident | 86.2 | Confident | 152 Ų | 152 | 56.2 Ų | 56.2 | 66% | 0.661 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -81.3 | -33.3 | -178.7 | -71 | 165.1 | 179.9 | 156.8 | 0 | 114 | D442 Y443 I444 | D442-K446 WeakPolarHBondContact O-CB 3.3Å; D442-K446 WeakPolarHBondContact O-CG 3.33Å; D442-K446 PolarHBondContact O-N 3.47Å; D442-K446 IonicContact OD2-NZ 2.73Å; D442-K446 PolarHBondContact OD2-NZ 3.35Å; Y443-K446 PolarHBondContact O-N 3.35Å; I444-K446 VanDerWaalsContact C-N 3.28Å; I444-K446 PolarHBondContact O-N 2.98Å |
| 447 | N | 84.4 | Confident | 86.2 | Confident | 88 Ų | 88 | 57.1 Ų | 57.1 | 47% | 0.471 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -112.6 | -16.4 | -170.6 | -60.9 | -99.6 | 0 | 0 | 0 | 114.2 | Y443 I444 | Y443-N447 VanDerWaalsContact CD2-ND2 3.26Å; Y443-N447 WeakPolarHBondContact CD2-ND2 3.33Å; Y443-N447 HydrophobicContact CE2-CB 4.41Å; Y443-N447 WeakPolarHBondContact CE2-ND2 3.48Å; Y443-N447 WeakPolarHBondContact O-CB 3.49Å; Y443-N447 PolarHBondContact O-N 2.79Å; Y443-N447 PolarHBondContact O-ND2 2.96Å; I444-N447 PolarHBondContact O-N 3.41Å |
| 448 | F | 83.9 | Confident | 86.1 | Confident | 57 Ų | 57 | 57.2 Ų | 57.2 | 25% | 0.25 | 31% | 0.314 | C | S | . | . | trans | -137.9 | 60.8 | -175.9 | -61 | -91.3 | 0 | 0 | 0 | 111.1 | Y443 I444 L450 F451 I932 N935 | Y443-F448 HydrophobicContact CD1-CE2 4.48Å; Y443-F448 HydrophobicContact CE1-CD2 4.45Å; Y443-F448 AromaticContact CE1-CE2 3.78Å; Y443-F448 HydrophobicContact CE1-CE2 3.78Å; I444-F448 HydrophobicContact CG2-CB 4.36Å; I444-F448 CarbonylContact O-C 3.51Å; I444-F448 VanDerWaalsContact O-C 3.26Å; I444-F448 VanDerWaalsContact O-CA 3.3Å; I444-F448 WeakPolarHBondContact O-CA 3.22Å; I444-F448 PolarHBondContact O-N 3.31Å; F448-L450 PolarHBondContact O-N 3.47Å; F448-F451 HydrophobicContact CB-CB 4.41Å; F448-F451 VanDerWaalsContact O-CB 3.3Å; F448-F451 WeakPolarHBondContact O-CB 3.15Å; F448-F451 PolarHBondContact O-N 2.96Å; F448-I932 HydrophobicContact CD1-CG1 4.27Å; F448-I932 HydrophobicContact CD2-CG1 4.03Å; F448-I932 HydrophobicContact CD2-CG2 4.36Å; F448-I932 HydrophobicContact CE1-CG1 4.2Å; F448-I932 HydrophobicContact CE2-CB 4.35Å; F448-I932 HydrophobicContact CE2-CG1 3.97Å; F448-I932 HydrophobicContact CE2-CG2 4Å; F448-I932 HydrophobicContact CG-CG1 4.19Å; F448-I932 HydrophobicContact CZ-CB 4.49Å; F448-I932 HydrophobicContact CZ-CG1 4.04Å; F448-N935 HydrophobicContact CZ-CB 4.33Å | ||
| 449 | P | 73.4 | Confident | 86.1 | Confident | 114 Ų | 114 | 57.8 Ų | 57.8 | 74% | 0.74 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -16.5 | -177.8 | 26.2 | -35.8 | 0 | 0 | 0 | 114.2 | ||
| 450 | L | 79.5 | Confident | 86.1 | Confident | 171 Ų | 171 | 59.9 Ų | 59.9 | 90% | 0.895 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 15.3 | 174.1 | -67.5 | 169.4 | 0 | 0 | 0 | 113.7 | F448 | F448-L450 PolarHBondContact O-N 3.47Š|
| 451 | F | 83.3 | Confident | 86.1 | Confident | 34 Ų | 34 | 59.7 Ų | 59.7 | 15% | 0.149 | 33% | 0.326 | C | S | . | . | trans | -68.6 | 130.6 | 177.8 | -170.4 | -102.6 | 0 | 0 | 0 | 111 | I444 F448 I453 L458 L928 L929 I932 | I444-F451 HydrophobicContact CG2-CB 3.73Å; I444-F451 HydrophobicContact CG2-CD1 3.94Å; I444-F451 HydrophobicContact CG2-CD2 4.45Å; I444-F451 HydrophobicContact CG2-CG 3.78Å; F448-F451 HydrophobicContact CB-CB 4.41Å; F448-F451 VanDerWaalsContact O-CB 3.3Å; F448-F451 WeakPolarHBondContact O-CB 3.15Å; F448-F451 PolarHBondContact O-N 2.96Å; F451-I453 HydrophobicContact CD1-CB 4.28Å; F451-I453 WeakPolarHBondContact CD1-O 3.39Å; F451-I453 HydrophobicContact CE1-CB 3.98Å; F451-I453 HydrophobicContact CE1-CD1 4.49Å; F451-I453 HydrophobicContact CE1-CG1 4.35Å; F451-I453 PolarHBondContact O-N 2.87Å; F451-L458 HydrophobicContact CD1-CD2 4.25Å; F451-L458 HydrophobicContact CE1-CD1 4.12Å; F451-L458 HydrophobicContact CE1-CD2 3.75Å; F451-L458 HydrophobicContact CE1-CG 4.44Å; F451-L458 HydrophobicContact CZ-CD2 4.5Å; F451-L928 HydrophobicContact CZ-CB 4.32Å; F451-L929 HydrophobicContact CE2-CD2 4.48Å; F451-L929 HydrophobicContact CZ-CD2 3.96Å; F451-I932 HydrophobicContact CD2-CD1 3.61Å; F451-I932 HydrophobicContact CE2-CD1 3.44Å; F451-I932 VanDerWaalsContact CE2-CD1 3.44Å; F451-I932 HydrophobicContact CZ-CD1 4.27Å | ||
| 452 | P | 81.6 | Confident | 86.2 | Confident | 72 Ų | 72 | 59.5 Ų | 59.5 | 47% | 0.468 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -71.8 | -5.4 | -164.6 | 27.9 | -37.2 | 0 | 0 | 0 | 115.5 | V875 | P452-V875 HydrophobicContact CB-CG1 4.35Å; P452-V875 WeakPolarHBondContact O-CG2 3.12Å |
| 453 | I | 85.6 | Confident | 86.3 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -117.7 | 119.2 | 175 | -54.7 | 173.7 | 0 | 0 | 0 | 108.1 | F451 S455 F457 L458 L461 L870 V875 W924 L925 L928 | F451-I453 HydrophobicContact CD1-CB 4.28Å; F451-I453 WeakPolarHBondContact CD1-O 3.39Å; F451-I453 HydrophobicContact CE1-CB 3.98Å; F451-I453 HydrophobicContact CE1-CD1 4.49Å; F451-I453 HydrophobicContact CE1-CG1 4.35Å; F451-I453 PolarHBondContact O-N 2.87Å; I453-S455 PolarHBondContact O-N 3.29Å; I453-F457 HydrophobicContact CG2-CB 4.24Å; I453-F457 HydrophobicContact CG2-CD1 3.9Å; I453-F457 HydrophobicContact CG2-CG 4.35Å; I453-L458 HydrophobicContact CB-CB 4.37Å; I453-L458 HydrophobicContact CD1-CD1 4.39Å; I453-L458 HydrophobicContact CG2-CB 3.89Å; I453-L461 HydrophobicContact CD1-CD1 4.12Å; I453-L461 HydrophobicContact CG2-CD1 4.05Å; I453-L870 HydrophobicContact CD1-CD2 4.12Å; I453-L870 HydrophobicContact CG1-CD2 4.06Å; I453-V875 HydrophobicContact CD1-CG1 4.42Å; I453-V875 HydrophobicContact CG1-CG1 3.88Å; I453-W924 HydrophobicContact CD1-CH2 3.9Å; I453-W924 HydrophobicContact CD1-CZ3 3.98Å; I453-L925 HydrophobicContact CD1-CD2 4.39Å; I453-L928 HydrophobicContact CD1-CD1 3.8Å |
| 454 | P | 85.5 | Confident | 86.3 | Confident | 68 Ų | 68 | 56.4 Ų | 56.4 | 44% | 0.442 | 31% | 0.31 | S | S | . | . | trans | -54 | 134.7 | 175.2 | -27.1 | 35.4 | 0 | 0 | 0 | 111.8 | P456 F457 L458 M873 | P454-P456 VanDerWaalsContact O-N 3.16Å; P454-F457 WeakPolarHBondContact O-CA 3.5Å; P454-F457 PolarHBondContact O-N 3.05Å; P454-L458 PolarHBondContact O-N 3.28Å; P454-M873 VanDerWaalsContact CD-CE 3.5Å; P454-M873 HydrophobicContact CG-CE 3.76Å | ||
| 455 | S | 83.7 | Confident | 86.4 | Confident | 32 Ų | 32 | 56.2 Ų | 56.2 | 22% | 0.224 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -46.5 | -44.7 | -172.4 | 169.6 | 0 | 0 | 0 | 0 | 115.4 | C441 S445 I453 F457 L458 K459 | C441-S455 WeakPolarHBondContact CB-OG 3.32Å; C441-S455 PolarHBondContact O-OG 3.41Å; S445-S455 WeakPolarHBondContact OG-CB 3.3Å; S445-S455 PolarHBondContact OG-OG 3.36Å; I453-S455 PolarHBondContact O-N 3.29Å; S455-F457 PolarHBondContact O-N 3.46Å; S455-L458 PolarHBondContact O-N 2.75Å; S455-K459 PolarHBondContact O-N 3.1Å |
| 456 | P | 86.4 | Confident | 86.7 | Confident | 93 Ų | 93 | 53.8 Ų | 53.8 | 60% | 0.604 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.5 | -38.5 | 174.7 | -23.5 | 34.8 | 0 | 0 | 0 | 113.6 | P454 K459 D460 | P454-P456 VanDerWaalsContact O-N 3.16Å; P456-K459 WeakPolarHBondContact O-CB 3.34Å; P456-K459 PolarHBondContact O-N 3.34Å; P456-D460 PolarHBondContact O-N 3.36Å |
| 457 | F | 90.6 | Very high | 86.9 | Confident | 21 Ų | 21 | 48 Ų | 48 | 9% | 0.092 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -77.5 | -28.6 | 179.4 | -172.8 | -138.4 | 0 | 0 | 0 | 112.1 | I453 P454 S455 D460 L461 N866 K869 L870 M873 | I453-F457 HydrophobicContact CG2-CB 4.24Å; I453-F457 HydrophobicContact CG2-CD1 3.9Å; I453-F457 HydrophobicContact CG2-CG 4.35Å; P454-F457 WeakPolarHBondContact O-CA 3.5Å; P454-F457 PolarHBondContact O-N 3.05Å; S455-F457 PolarHBondContact O-N 3.46Å; F457-D460 HydrophobicContact CD2-CB 4.21Å; F457-D460 PolarHBondContact O-N 2.9Å; F457-L461 HydrophobicContact CD1-CD1 4.28Å; F457-L461 HydrophobicContact CD2-CG 4.37Å; F457-L461 HydrophobicContact CE1-CD1 4.07Å; F457-L461 HydrophobicContact CE2-CD1 4.32Å; F457-L461 HydrophobicContact CE2-CD2 4.28Å; F457-L461 HydrophobicContact CE2-CG 4.07Å; F457-L461 HydrophobicContact CZ-CD1 4.07Å; F457-L461 HydrophobicContact CZ-CD2 4.26Å; F457-L461 HydrophobicContact CZ-CG 4.22Å; F457-L461 WeakPolarHBondContact O-CB 3.44Å; F457-L461 VanDerWaalsContact O-CG 3.26Å; F457-L461 WeakPolarHBondContact O-CG 3.35Å; F457-L461 PolarHBondContact O-N 3.16Å; F457-N866 HydrophobicContact CE2-CB 4.17Å; F457-N866 WeakPolarHBondContact CE2-OD1 3.26Å; F457-N866 HydrophobicContact CZ-CB 4.14Å; F457-K869 HydrophobicContact CE1-CB 4.07Å; F457-K869 HydrophobicContact CE1-CD 4.49Å; F457-K869 HydrophobicContact CE2-CD 3.77Å; F457-K869 HydrophobicContact CZ-CB 3.74Å; F457-K869 HydrophobicContact CZ-CD 3.7Å; F457-K869 HydrophobicContact CZ-CG 4.41Å; F457-L870 HydrophobicContact CD1-CD2 4.44Å; F457-L870 HydrophobicContact CE1-CD2 3.72Å; F457-L870 HydrophobicContact CE1-CG 3.87Å; F457-L870 HydrophobicContact CZ-CD2 4.47Å; F457-L870 HydrophobicContact CZ-CG 4.2Å; F457-M873 HydrophobicContact CD1-CE 4.32Å; F457-M873 HydrophobicContact CD1-SD 4.02Å; F457-M873 HydrophobicContact CE1-SD 3.93Å |
| 458 | L | 91.2 | Very high | 87 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 168 | 178.3 | 63.8 | 0 | 0 | 0 | 111.1 | I444 F451 I453 P454 S455 L461 L462 L925 L929 | I444-L458 HydrophobicContact CD1-CD2 3.57Å; F451-L458 HydrophobicContact CD1-CD2 4.25Å; F451-L458 HydrophobicContact CE1-CD1 4.12Å; F451-L458 HydrophobicContact CE1-CD2 3.75Å; F451-L458 HydrophobicContact CE1-CG 4.44Å; F451-L458 HydrophobicContact CZ-CD2 4.5Å; I453-L458 HydrophobicContact CB-CB 4.37Å; I453-L458 HydrophobicContact CD1-CD1 4.39Å; I453-L458 HydrophobicContact CG2-CB 3.89Å; P454-L458 PolarHBondContact O-N 3.28Å; S455-L458 PolarHBondContact O-N 2.75Å; L458-L461 PolarHBondContact O-N 3.4Å; L458-L462 HydrophobicContact CD1-CD1 4.23Å; L458-L462 HydrophobicContact CD1-CG 4.32Å; L458-L462 HydrophobicContact CG-CD1 4.03Å; L458-L462 WeakPolarHBondContact O-CB 3.28Å; L458-L462 WeakPolarHBondContact O-CG 3.14Å; L458-L462 PolarHBondContact O-N 2.78Å; L458-L925 HydrophobicContact CD1-CD2 4.3Å; L458-L929 HydrophobicContact CD1-CD2 4.47Å; L458-L929 HydrophobicContact CD2-CD2 4.26Å |
| 459 | K | 92.2 | Very high | 87.1 | Confident | 70 Ų | 70 | 46.1 Ų | 46.1 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.5 | -47.8 | 173.5 | 172.6 | 172.8 | -180 | 166.1 | 0 | 111.3 | V437 D438 S455 P456 L461 L462 L463 | V437-K459 HydrophobicContact CG1-CB 4.09Å; V437-K459 HydrophobicContact CG1-CG 3.9Å; D438-K459 VanDerWaalsContact CG-NZ 3.3Å; D438-K459 VanDerWaalsContact OD1-CD 3.25Å; D438-K459 WeakPolarHBondContact OD1-CD 3.31Å; D438-K459 WeakPolarHBondContact OD1-CE 3.34Å; D438-K459 IonicContact OD1-NZ 3.9Å; D438-K459 PolarHBondContact OD1-NZ 3.06Å; D438-K459 IonicContact OD2-NZ 3.8Å; D438-K459 PolarHBondContact OD2-NZ 2.76Å; S455-K459 PolarHBondContact O-N 3.1Å; P456-K459 WeakPolarHBondContact O-CB 3.34Å; P456-K459 PolarHBondContact O-N 3.34Å; K459-L461 PolarHBondContact O-N 3.01Å; K459-L462 PolarHBondContact O-N 3.49Å; K459-L463 HydrophobicContact CG-CD1 3.77Å; K459-L463 HydrophobicContact CG-CG 4.44Å; K459-L463 WeakPolarHBondContact O-CB 3.4Å; K459-L463 VanDerWaalsContact O-CG 3.3Å; K459-L463 WeakPolarHBondContact O-CG 3.18Å; K459-L463 PolarHBondContact O-N 3.15Å |
| 460 | D | 91.3 | Very high | 87.8 | Confident | 90 Ų | 90 | 42.5 Ų | 42.5 | 48% | 0.481 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.3 | -46.5 | 174.3 | -85.2 | -10.2 | 0 | 0 | 0 | 112.8 | P456 F457 L464 | P456-D460 PolarHBondContact O-N 3.36Å; F457-D460 HydrophobicContact CD2-CB 4.21Å; F457-D460 PolarHBondContact O-N 2.9Å; D460-L464 WeakPolarHBondContact O-CB 3.42Å; D460-L464 PolarHBondContact O-N 3.4Å |
| 461 | L | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.9 | -38.3 | -178.3 | -73.3 | 168.2 | 0 | 0 | 0 | 112.6 | I453 F457 L458 K459 C465 N866 L870 L921 L925 | I453-L461 HydrophobicContact CD1-CD1 4.12Å; I453-L461 HydrophobicContact CG2-CD1 4.05Å; F457-L461 HydrophobicContact CD1-CD1 4.28Å; F457-L461 HydrophobicContact CD2-CG 4.37Å; F457-L461 HydrophobicContact CE1-CD1 4.07Å; F457-L461 HydrophobicContact CE2-CD1 4.32Å; F457-L461 HydrophobicContact CE2-CD2 4.28Å; F457-L461 HydrophobicContact CE2-CG 4.07Å; F457-L461 HydrophobicContact CZ-CD1 4.07Å; F457-L461 HydrophobicContact CZ-CD2 4.26Å; F457-L461 HydrophobicContact CZ-CG 4.22Å; F457-L461 WeakPolarHBondContact O-CB 3.44Å; F457-L461 VanDerWaalsContact O-CG 3.26Å; F457-L461 WeakPolarHBondContact O-CG 3.35Å; F457-L461 PolarHBondContact O-N 3.16Å; L458-L461 PolarHBondContact O-N 3.4Å; K459-L461 PolarHBondContact O-N 3.01Å; L461-C465 PolarHBondContact O-N 2.86Å; L461-C465 PolarHBondContact O-SG 2.91Å; L461-N866 HydrophobicContact CD2-CB 3.95Å; L461-L870 HydrophobicContact CD1-CD1 4Å; L461-L870 HydrophobicContact CD1-CD2 4.07Å; L461-L870 HydrophobicContact CD1-CG 4.36Å; L461-L870 HydrophobicContact CD2-CD1 4.28Å; L461-L921 HydrophobicContact CD2-CD1 4.4Å; L461-L921 HydrophobicContact CD2-CD2 4.17Å; L461-L925 HydrophobicContact CB-CD1 4.09Å; L461-L925 HydrophobicContact CB-CD2 4.13Å; L461-L925 HydrophobicContact CD1-CD2 4.44Å |
| 462 | L | 92.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.7 | -53.6 | 174 | -74.5 | 170.3 | 0 | 0 | 0 | 110.7 | V437 L440 L458 K459 L464 C465 T466 L490 L925 L929 | V437-L462 HydrophobicContact CG1-CB 4.18Å; V437-L462 HydrophobicContact CG1-CD1 3.95Å; V437-L462 HydrophobicContact CG2-CB 4.18Å; V437-L462 HydrophobicContact CG2-CD1 4.39Å; L440-L462 HydrophobicContact CD2-CD1 4.15Å; L458-L462 HydrophobicContact CD1-CD1 4.23Å; L458-L462 HydrophobicContact CD1-CG 4.32Å; L458-L462 HydrophobicContact CG-CD1 4.03Å; L458-L462 WeakPolarHBondContact O-CB 3.28Å; L458-L462 WeakPolarHBondContact O-CG 3.14Å; L458-L462 PolarHBondContact O-N 2.78Å; K459-L462 PolarHBondContact O-N 3.49Å; L462-L464 VanDerWaalsContact C-N 3.32Å; L462-L464 PolarHBondContact O-N 3.48Å; L462-C465 PolarHBondContact O-N 3.33Å; L462-T466 PolarHBondContact O-N 2.99Å; L462-T466 VanDerWaalsContact O-N 3.15Å; L462-T466 PolarHBondContact O-OG1 3.03Å; L462-T466 VanDerWaalsContact O-OG1 3.09Å; L462-L490 HydrophobicContact CD2-CD1 3.88Å; L462-L490 HydrophobicContact CD2-CD2 3.61Å; L462-L490 HydrophobicContact CD2-CG 4.39Å; L462-L925 HydrophobicContact CD2-CD1 4.48Å; L462-L929 HydrophobicContact CD1-CD1 4.47Å; L462-L929 HydrophobicContact CD2-CD1 3.88Å |
| 463 | L | 91.8 | Very high | 88.6 | Confident | 39 Ų | 39 | 30.7 Ų | 30.7 | 20% | 0.204 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.4 | -36.8 | -180 | -67.1 | 173.5 | 0 | 0 | 0 | 112.3 | L433 V437 K459 C465 T466 A467 | L433-L463 HydrophobicContact CD2-CD2 4.23Å; L433-L463 HydrophobicContact CG-CD2 4.13Å; V437-L463 HydrophobicContact CG2-CD2 4.37Å; K459-L463 HydrophobicContact CG-CD1 3.77Å; K459-L463 HydrophobicContact CG-CG 4.44Å; K459-L463 WeakPolarHBondContact O-CB 3.4Å; K459-L463 VanDerWaalsContact O-CG 3.3Å; K459-L463 WeakPolarHBondContact O-CG 3.18Å; K459-L463 PolarHBondContact O-N 3.15Å; L463-C465 PolarHBondContact O-N 2.64Å; L463-T466 PolarHBondContact O-N 3.31Å; L463-A467 HydrophobicContact CB-CB 4.4Å; L463-A467 HydrophobicContact CD2-CB 4.23Å; L463-A467 WeakPolarHBondContact O-CB 3.46Å; L463-A467 PolarHBondContact O-N 2.87Å |
| 464 | L | 90.2 | Very high | 88.4 | Confident | 19 Ų | 19 | 34 Ų | 34 | 10% | 0.099 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.5 | -28.1 | 172.7 | 178.9 | 63.8 | 0 | 0 | 0 | 112.9 | D460 L462 L859 R862 V863 T918 L921 | D460-L464 WeakPolarHBondContact O-CB 3.42Å; D460-L464 PolarHBondContact O-N 3.4Å; L462-L464 VanDerWaalsContact C-N 3.32Å; L462-L464 PolarHBondContact O-N 3.48Å; L464-L859 HydrophobicContact CD1-CD1 3.91Å; L464-R862 HydrophobicContact CD1-CB 4.32Å; L464-V863 HydrophobicContact CD2-CG2 4.24Å; L464-T918 WeakPolarHBondContact O-CG2 3.38Å; L464-L921 HydrophobicContact CD2-CD2 4.32Å |
| 465 | C | 88 | Confident | 88 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -94.5 | -17.5 | -179 | -64.8 | 0 | 0 | 0 | 0 | 114.3 | L461 L462 L463 L490 A922 | L461-C465 PolarHBondContact O-N 2.86Å; L461-C465 PolarHBondContact O-SG 2.91Å; L462-C465 PolarHBondContact O-N 3.33Å; L463-C465 PolarHBondContact O-N 2.64Å; C465-L490 HydrophobicContact CB-CD1 3.61Å; C465-A922 HydrophobicContact CB-CB 4.09Å |
| 466 | T | 89.5 | Confident | 87.9 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.043 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -132.7 | -19 | -169.6 | 62.3 | 0 | 0 | 0 | 0 | 116.3 | L433 L462 L463 V469 L490 L494 | L433-T466 WeakPolarHBondContact CD1-OG1 3.4Å; L433-T466 WeakPolarHBondContact CD2-OG1 3.43Å; L462-T466 PolarHBondContact O-N 2.99Å; L462-T466 VanDerWaalsContact O-N 3.15Å; L462-T466 PolarHBondContact O-OG1 3.03Å; L462-T466 VanDerWaalsContact O-OG1 3.09Å; L463-T466 PolarHBondContact O-N 3.31Å; T466-V469 WeakPolarHBondContact O-CG2 3.22Å; T466-L490 HydrophobicContact CG2-CB 3.78Å; T466-L490 HydrophobicContact CG2-CD1 3.86Å; T466-L490 HydrophobicContact CG2-CG 4.48Å; T466-L494 HydrophobicContact CG2-CD1 3.98Å |
| 467 | A | 88.2 | Confident | 87.9 | Confident | 31 Ų | 31 | 35 Ų | 35 | 26% | 0.256 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -95.3 | 145.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L433 L463 V469 | L433-A467 HydrophobicContact CD2-CB 3.81Å; L463-A467 HydrophobicContact CB-CB 4.4Å; L463-A467 HydrophobicContact CD2-CB 4.23Å; L463-A467 WeakPolarHBondContact O-CB 3.46Å; L463-A467 PolarHBondContact O-N 2.87Å; A467-V469 PolarHBondContact O-N 3.38Å |
| 468 | N | 85.9 | Confident | 87.8 | Confident | 91 Ų | 91 | 34.4 Ų | 34.4 | 49% | 0.487 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 50.7 | 40 | 177.3 | -74 | -66.1 | 0 | 0 | 0 | 113.8 | Q470 Q480 | N468-Q470 PolarHBondContact O-N 3.34Å; N468-Q480 CarbonylContact C-O 3.5Å; N468-Q480 WeakPolarHBondContact CA-O 3.1Å; N468-Q480 PolarHBondContact N-O 2.85Å |
| 469 | V | 86.8 | Confident | 87.6 | Confident | 14 Ų | 14 | 37.4 Ų | 37.4 | 9% | 0.085 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 107.4 | -172.8 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | T466 A467 F471 R479 Q480 L911 M913 | T466-V469 WeakPolarHBondContact O-CG2 3.22Å; A467-V469 PolarHBondContact O-N 3.38Å; V469-F471 WeakPolarHBondContact O-CD1 3.22Å; V469-R479 WeakPolarHBondContact O-CA 3.2Å; V469-Q480 PolarHBondContact N-O 2.86Å; V469-Q480 VanDerWaalsContact N-O 3.1Å; V469-Q480 PolarHBondContact O-N 3.16Å; V469-L911 HydrophobicContact CG1-CD2 3.82Å; V469-M913 HydrophobicContact CG1-CE 3.77Å; V469-M913 HydrophobicContact CG2-CE 4.35Å |
| 470 | Q | 86.8 | Confident | 87.4 | Confident | 38 Ų | 38 | 34.7 Ų | 34.7 | 18% | 0.178 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 136.7 | 171.2 | -79.4 | 177.6 | -35.4 | 0 | 0 | 110.6 | N468 F478 R479 D849 N853 L891 P892 | N468-Q470 PolarHBondContact O-N 3.34Å; Q470-F478 CarbonylContact C-O 3.6Å; Q470-F478 WeakPolarHBondContact CA-O 3.36Å; Q470-R479 HydrophobicContact CB-CG 4.35Å; Q470-R479 HydrophobicContact CG-CG 3.4Å; Q470-D849 PolarHBondContact NE2-OD2 3.42Å; Q470-N853 PolarHBondContact NE2-O 2.75Å; Q470-L891 HydrophobicContact CB-CD2 3.96Å; Q470-P892 VanDerWaalsContact O-CD 3.3Å; Q470-P892 WeakPolarHBondContact O-CD 3.03Å |
| 471 | F | 89.3 | Confident | 87 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 167.9 | 177.6 | 65.6 | -98.4 | 0 | 0 | 0 | 112 | V469 F478 Q480 L840 F846 P892 L894 L911 | V469-F471 WeakPolarHBondContact O-CD1 3.22Å; F471-F478 HydrophobicContact CD1-CB 4.46Å; F471-F478 HydrophobicContact CD2-CB 4Å; F471-F478 HydrophobicContact CE1-CB 3.98Å; F471-F478 HydrophobicContact CE2-CB 3.47Å; F471-F478 VanDerWaalsContact CE2-CB 3.47Å; F471-F478 HydrophobicContact CE2-CD2 4.12Å; F471-F478 HydrophobicContact CE2-CG 4.02Å; F471-F478 HydrophobicContact CG-CB 4.46Å; F471-F478 HydrophobicContact CZ-CB 3.46Å; F471-F478 VanDerWaalsContact CZ-CB 3.46Å; F471-F478 HydrophobicContact CZ-CG 4.28Å; F471-F478 PolarHBondContact N-O 3.09Å; F471-F478 PolarHBondContact O-N 2.77Å; F471-Q480 HydrophobicContact CE1-CB 4.17Å; F471-L840 HydrophobicContact CE2-CD2 3.8Å; F471-L840 HydrophobicContact CZ-CD2 3.58Å; F471-F846 HydrophobicContact CE1-CD1 4.04Å; F471-F846 HydrophobicContact CE1-CE1 4.37Å; F471-F846 AromaticContact CZ-CD1 3.9Å; F471-F846 HydrophobicContact CZ-CD1 3.9Å; F471-F846 HydrophobicContact CZ-CE1 4.31Å; F471-P892 CarbonylContact C-O 3.5Å; F471-P892 VanDerWaalsContact CA-O 3.25Å; F471-P892 WeakPolarHBondContact CA-O 3.05Å; F471-P892 HydrophobicContact CB-CB 4Å; F471-P892 HydrophobicContact CB-CG 4.47Å; F471-P892 WeakPolarHBondContact CB-O 3.16Å; F471-L894 HydrophobicContact CD2-CB 3.63Å; F471-L894 HydrophobicContact CD2-CD2 4.39Å; F471-L894 HydrophobicContact CE2-CB 3.7Å; F471-L894 HydrophobicContact CE2-CD2 3.58Å; F471-L894 HydrophobicContact CE2-CG 4.16Å; F471-L894 HydrophobicContact CZ-CD2 3.99Å; F471-L911 HydrophobicContact CB-CD1 3.59Å; F471-L911 HydrophobicContact CD1-CD1 4.12Å; F471-L911 HydrophobicContact CD2-CD1 4.28Å; F471-L911 HydrophobicContact CG-CD1 3.78Å |
| 472 | T | 86.7 | Confident | 86.5 | Confident | 22 Ų | 22 | 35.1 Ų | 35.1 | 14% | 0.135 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 152.9 | 174.7 | 50 | 0 | 0 | 0 | 0 | 112.6 | E476 Y477 L891 P892 N893 L894 | T472-E476 CarbonylContact C-O 3.46Å; T472-E476 VanDerWaalsContact CA-O 3.24Å; T472-E476 WeakPolarHBondContact CA-O 3.47Å; T472-Y477 HydrophobicContact CG2-CD1 3.47Å; T472-Y477 VanDerWaalsContact CG2-CD1 3.47Å; T472-Y477 HydrophobicContact CG2-CE1 3.61Å; T472-Y477 HydrophobicContact CG2-CG 4.38Å; T472-L891 HydrophobicContact CG2-CB 4.12Å; T472-L891 HydrophobicContact CG2-CD1 3.84Å; T472-P892 PolarHBondContact N-O 3.27Å; T472-P892 PolarHBondContact OG1-O 2.89Å; T472-N893 WeakPolarHBondContact O-CA 3.2Å; T472-L894 PolarHBondContact O-N 2.82Å |
| 473 | F | 86.1 | Confident | 86.2 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 121.1 | 167.1 | 174.1 | -114.4 | 0 | 0 | 0 | 109.4 | G475 E476 F478 Y832 K833 M836 L840 L894 | F473-G475 PolarHBondContact O-N 2.74Å; F473-G475 VanDerWaalsContact O-N 3.13Å; F473-E476 PolarHBondContact N-O 2.89Å; F473-E476 WeakPolarHBondContact O-CB 3.33Å; F473-E476 PolarHBondContact O-N 2.58Å; F473-F478 HydrophobicContact CB-CD2 4.22Å; F473-F478 HydrophobicContact CB-CE2 4.04Å; F473-F478 HydrophobicContact CD1-CE2 4.5Å; F473-Y832 AromaticContact CE2-CE1 3.8Å; F473-Y832 HydrophobicContact CE2-CE1 3.8Å; F473-Y832 HydrophobicContact CZ-CE1 4.08Å; F473-K833 HydrophobicContact CE1-CG 4.04Å; F473-K833 HydrophobicContact CZ-CG 4.36Å; F473-M836 HydrophobicContact CD1-CB 4.41Å; F473-M836 HydrophobicContact CD2-CE 4.43Å; F473-M836 HydrophobicContact CE1-CB 3.56Å; F473-M836 HydrophobicContact CE1-CG 4.36Å; F473-M836 HydrophobicContact CE2-CB 3.93Å; F473-M836 HydrophobicContact CE2-CE 4.34Å; F473-M836 HydrophobicContact CE2-CG 3.82Å; F473-M836 HydrophobicContact CZ-CB 3.29Å; F473-M836 HydrophobicContact CZ-CG 3.61Å; F473-L840 HydrophobicContact CB-CD1 4.31Å; F473-L840 HydrophobicContact CD1-CD1 3.75Å; F473-L840 HydrophobicContact CE1-CD1 4.45Å; F473-L840 HydrophobicContact CG-CD1 4.18Å; F473-L894 WeakPolarHBondContact CD2-O 3.3Å |
| 474 | E | 80.3 | Confident | 86 | Confident | 72 Ų | 72 | 33.4 Ų | 33.4 | 34% | 0.336 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 27.8 | -177.6 | -72.7 | -69.3 | 164.8 | 0 | 0 | 114.6 | E476 K829 | E474-E476 VanDerWaalsContact C-N 3.26Å; E474-E476 PolarHBondContact O-N 2.94Å; E474-K829 WeakPolarHBondContact OE1-CE 3.21Å; E474-K829 IonicContact OE1-NZ 2.83Å; E474-K829 PolarHBondContact OE1-NZ 3.05Å; E474-K829 WeakPolarHBondContact OE2-CE 3.46Å; E474-K829 IonicContact OE2-NZ 2.66Å; E474-K829 PolarHBondContact OE2-NZ 2.91Å |
| 475 | G | 77.9 | Confident | 85.8 | Confident | 52 Ų | 52 | 32.7 Ų | 32.7 | 54% | 0.536 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -22.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | F473 Y477 | F473-G475 PolarHBondContact O-N 2.74Å; F473-G475 VanDerWaalsContact O-N 3.13Å; G475-Y477 WeakPolarHBondContact O-CE2 3.23Å |
| 476 | E | 82.6 | Confident | 85.5 | Confident | 87 Ų | 87 | 34.7 Ų | 34.7 | 41% | 0.407 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 156.5 | 169.9 | -69.1 | -59.5 | 133.9 | 0 | 0 | 111.4 | T472 F473 E474 F478 Q848 | T472-E476 CarbonylContact C-O 3.46Å; T472-E476 VanDerWaalsContact CA-O 3.24Å; T472-E476 WeakPolarHBondContact CA-O 3.47Å; F473-E476 PolarHBondContact N-O 2.89Å; F473-E476 WeakPolarHBondContact O-CB 3.33Å; F473-E476 PolarHBondContact O-N 2.58Å; E474-E476 VanDerWaalsContact C-N 3.26Å; E474-E476 PolarHBondContact O-N 2.94Å; E476-F478 HydrophobicContact CB-CE2 3.69Å; E476-F478 HydrophobicContact CB-CZ 4.21Å; E476-Q848 PolarHBondContact OE2-NE2 3.23Å |
| 477 | Y | 85.2 | Confident | 85.1 | Confident | 76 Ų | 76 | 36.4 Ų | 36.4 | 30% | 0.298 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 142.3 | -173.6 | -56.5 | -90.1 | 0 | 0 | 0 | 112.2 | T472 G475 Q848 D849 I854 L891 | T472-Y477 HydrophobicContact CG2-CD1 3.47Å; T472-Y477 VanDerWaalsContact CG2-CD1 3.47Å; T472-Y477 HydrophobicContact CG2-CE1 3.61Å; T472-Y477 HydrophobicContact CG2-CG 4.38Å; G475-Y477 WeakPolarHBondContact O-CE2 3.23Å; Y477-Q848 WeakPolarHBondContact O-CA 3.34Å; Y477-Q848 WeakPolarHBondContact O-CG 3.3Å; Y477-D849 PolarHBondContact O-N 2.81Å; Y477-I854 HydrophobicContact CD1-CD1 3.34Å; Y477-I854 HydrophobicContact CD1-CG2 4.14Å; Y477-I854 HydrophobicContact CD2-CD1 3.87Å; Y477-I854 HydrophobicContact CE1-CD1 4.11Å; Y477-I854 HydrophobicContact CE1-CG2 4.3Å; Y477-I854 HydrophobicContact CG-CD1 3.2Å; Y477-L891 HydrophobicContact CD1-CD1 3.78Å; Y477-L891 HydrophobicContact CE1-CD1 3.68Å |
| 478 | F | 88.2 | Confident | 85 | Confident | 8 Ų | 8 | 35.2 Ų | 35.2 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 159.5 | -176.4 | -62.6 | -92 | 0 | 0 | 0 | 111.5 | Q470 F471 F473 E476 L837 L840 L847 Q848 | Q470-F478 CarbonylContact C-O 3.6Å; Q470-F478 WeakPolarHBondContact CA-O 3.36Å; F471-F478 HydrophobicContact CD1-CB 4.46Å; F471-F478 HydrophobicContact CD2-CB 4Å; F471-F478 HydrophobicContact CE1-CB 3.98Å; F471-F478 HydrophobicContact CE2-CB 3.47Å; F471-F478 VanDerWaalsContact CE2-CB 3.47Å; F471-F478 HydrophobicContact CE2-CD2 4.12Å; F471-F478 HydrophobicContact CE2-CG 4.02Å; F471-F478 HydrophobicContact CG-CB 4.46Å; F471-F478 HydrophobicContact CZ-CB 3.46Å; F471-F478 VanDerWaalsContact CZ-CB 3.46Å; F471-F478 HydrophobicContact CZ-CG 4.28Å; F471-F478 PolarHBondContact N-O 3.09Å; F471-F478 PolarHBondContact O-N 2.77Å; F473-F478 HydrophobicContact CB-CD2 4.22Å; F473-F478 HydrophobicContact CB-CE2 4.04Å; F473-F478 HydrophobicContact CD1-CE2 4.5Å; E476-F478 HydrophobicContact CB-CE2 3.69Å; E476-F478 HydrophobicContact CB-CZ 4.21Å; F478-L837 HydrophobicContact CZ-CD2 4.36Å; F478-L840 HydrophobicContact CD1-CB 4.43Å; F478-L840 HydrophobicContact CD1-CD1 4.36Å; F478-L840 HydrophobicContact CD1-CD2 4.19Å; F478-L840 HydrophobicContact CD2-CD1 4.25Å; F478-L840 HydrophobicContact CE1-CB 4.15Å; F478-L840 HydrophobicContact CE1-CD1 4.08Å; F478-L840 HydrophobicContact CE2-CD1 3.97Å; F478-L840 HydrophobicContact CG-CD1 4.46Å; F478-L840 HydrophobicContact CG-CD2 4.28Å; F478-L840 HydrophobicContact CZ-CD1 3.89Å; F478-L847 CarbonylContact C-O 3.59Å; F478-L847 WeakPolarHBondContact CA-O 3.47Å; F478-Q848 HydrophobicContact CD1-CB 3.93Å; F478-Q848 HydrophobicContact CD1-CG 4.16Å; F478-Q848 HydrophobicContact CE1-CB 3.79Å; F478-Q848 HydrophobicContact CE1-CG 3.79Å; F478-Q848 HydrophobicContact CZ-CG 4.13Å |
| 479 | R | 86.8 | Confident | 85 | Confident | 63 Ų | 63 | 32.5 Ų | 32.5 | 24% | 0.238 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 129.8 | 169.5 | -82.2 | -175.1 | -92.5 | 129.1 | -3 | 110.2 | V469 Q470 V481 F846 L847 D849 | V469-R479 WeakPolarHBondContact O-CA 3.2Å; Q470-R479 HydrophobicContact CB-CG 4.35Å; Q470-R479 HydrophobicContact CG-CG 3.4Å; R479-V481 HydrophobicContact CB-CG1 4.42Å; R479-F846 WeakPolarHBondContact O-CA 3.49Å; R479-L847 PolarHBondContact N-O 3.21Å; R479-L847 PolarHBondContact O-N 3.13Å; R479-D849 IonicContact CZ-OD1 2.67Å; R479-D849 IonicContact CZ-OD2 2.91Å; R479-D849 VanDerWaalsContact NE-CG 3.29Å; R479-D849 IonicContact NE-OD1 2.9Å; R479-D849 IonicContact NE-OD2 3.93Å; R479-D849 PolarHBondContact NE-OD2 3.48Å; R479-D849 VanDerWaalsContact NH2-CG 3.27Å; R479-D849 IonicContact NH2-OD1 3.88Å; R479-D849 PolarHBondContact NH2-OD1 2.7Å; R479-D849 IonicContact NH2-OD2 3.57Å; R479-D849 PolarHBondContact NH2-OD2 2.98Å |
| 480 | Q | 88.3 | Confident | 85.1 | Confident | 13 Ų | 13 | 31.8 Ų | 31.8 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 119.2 | 161.3 | -176 | 171.8 | -8.8 | 0 | 0 | 108.6 | N468 V469 F471 D482 A485 K845 F846 | N468-Q480 CarbonylContact C-O 3.5Å; N468-Q480 WeakPolarHBondContact CA-O 3.1Å; N468-Q480 PolarHBondContact N-O 2.85Å; V469-Q480 PolarHBondContact N-O 2.86Å; V469-Q480 VanDerWaalsContact N-O 3.1Å; V469-Q480 PolarHBondContact O-N 3.16Å; F471-Q480 HydrophobicContact CE1-CB 4.17Å; Q480-D482 VanDerWaalsContact CG-O 3.31Å; Q480-D482 WeakPolarHBondContact CG-O 3.33Å; Q480-D482 PolarHBondContact NE2-O 2.96Å; Q480-A485 VanDerWaalsContact OE1-CB 3.24Å; Q480-K845 CarbonylContact C-O 3.31Å; Q480-K845 WeakPolarHBondContact CA-O 3.2Å; Q480-F846 HydrophobicContact CB-CD1 3.9Å; Q480-F846 HydrophobicContact CB-CE1 3.88Å; Q480-F846 HydrophobicContact CG-CD1 4.06Å; Q480-F846 HydrophobicContact CG-CE1 3.76Å |
| 481 | V | 83.1 | Confident | 85.2 | Confident | 46 Ų | 46 | 30 Ų | 30 | 28% | 0.279 | 17% | 0.172 | S | C | . | . | trans | -99.4 | -27.9 | -174.6 | -65.8 | 0 | 0 | 0 | 0 | 113.5 | R479 K845 L847 | R479-V481 HydrophobicContact CB-CG1 4.42Å; V481-K845 PolarHBondContact N-O 3.46Å; V481-L847 HydrophobicContact CG1-CD1 3.78Å; V481-L847 HydrophobicContact CG1-CG 3.97Å; V481-L847 HydrophobicContact CG2-CG 4.36Å | ||
| 482 | D | 81.6 | Confident | 85.2 | Confident | 54 Ų | 54 | 32.4 Ų | 32.4 | 29% | 0.289 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -136.8 | 162.5 | -179.8 | -177.9 | 43.1 | 0 | 0 | 0 | 112.6 | Q480 K845 | Q480-D482 VanDerWaalsContact CG-O 3.31Å; Q480-D482 WeakPolarHBondContact CG-O 3.33Å; Q480-D482 PolarHBondContact NE2-O 2.96Å; D482-K845 HydrophobicContact CB-CD 4.16Å; D482-K845 IonicContact OD2-NZ 2.92Å; D482-K845 PolarHBondContact OD2-NZ 2.92Å |
| 483 | G | 85.7 | Confident | 85.3 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 72.8 | -164.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113 | V431 | V431-G483 WeakPolarHBondContact O-CA 3.37Š|
| 484 | V | 89.2 | Confident | 85.5 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | trans | -119.9 | 135.1 | 172 | -72.2 | 0 | 0 | 0 | 0 | 111.1 | F428 V431 L433 M486 L494 | F428-V484 HydrophobicContact CB-CG2 4.18Å; F428-V484 HydrophobicContact CD1-CG2 3.99Å; F428-V484 VanDerWaalsContact O-CG2 3.27Å; F428-V484 WeakPolarHBondContact O-CG2 3.27Å; F428-V484 PolarHBondContact O-N 3.22Å; V431-V484 HydrophobicContact CB-CG2 4.2Å; V431-V484 HydrophobicContact CG2-CG2 4.05Å; L433-V484 HydrophobicContact CD1-CG1 3.98Å; V484-M486 PolarHBondContact O-N 2.92Å; V484-L494 HydrophobicContact CG1-CB 4.22Å; V484-L494 HydrophobicContact CG1-CD1 3.87Å | ||
| 485 | A | 85.4 | Confident | 86 | Confident | 3 Ų | 3 | 28.2 Ų | 28.2 | 3% | 0.025 | 17% | 0.167 | C | C | . | . | trans | -65.2 | 123.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q480 G487 S488 L911 | Q480-A485 VanDerWaalsContact OE1-CB 3.24Å; A485-G487 PolarHBondContact O-N 3.37Å; A485-S488 WeakPolarHBondContact O-CB 3.42Å; A485-S488 PolarHBondContact O-N 2.97Å; A485-L911 HydrophobicContact CB-CD2 3.72Å | ||
| 486 | M | 82.5 | Confident | 86.6 | Confident | 42 Ų | 42 | 25.9 Ų | 25.9 | 21% | 0.207 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 100.5 | 171.2 | -68.8 | -168.8 | -168.9 | 0 | 0 | 109.8 | F428 T429 V484 R908 P909 I910 L911 | F428-M486 HydrophobicContact CB-CE 3.89Å; F428-M486 HydrophobicContact CB-CG 3.93Å; F428-M486 HydrophobicContact CD2-CE 4.32Å; F428-M486 HydrophobicContact CG-CE 4.42Å; F428-M486 HydrophobicContact CG-CG 4.17Å; T429-M486 HydrophobicContact CG2-CE 4.46Å; V484-M486 PolarHBondContact O-N 2.92Å; M486-R908 HydrophobicContact SD-CG 4.07Å; M486-P909 WeakPolarHBondContact CB-O 3.46Å; M486-P909 HydrophobicContact SD-CG 4.46Å; M486-I910 WeakPolarHBondContact O-CA 3.12Å; M486-L911 PolarHBondContact O-N 2.84Å |
| 487 | G | 80.1 | Confident | 86.9 | Confident | 44 Ų | 44 | 21.8 Ų | 21.8 | 45% | 0.454 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 123.2 | -13.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A485 | A485-G487 PolarHBondContact O-N 3.37Š|
| 488 | S | 86.5 | Confident | 87.2 | Confident | 5 Ų | 5 | 18.2 Ų | 18.2 | 4% | 0.035 | 11% | 0.109 | C | C | . | . | trans | -67.1 | 136.6 | 166.9 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | A485 L490 G491 | A485-S488 WeakPolarHBondContact O-CB 3.42Å; A485-S488 PolarHBondContact O-N 2.97Å; S488-L490 PolarHBondContact O-N 3.08Å; S488-L490 PolarHBondContact OG-N 3.41Å; S488-G491 PolarHBondContact O-N 2.79Å | ||
| 489 | P | 85 | Confident | 87.4 | Confident | 34 Ų | 34 | 17.9 Ų | 17.9 | 22% | 0.221 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -36.7 | 173.6 | -26.9 | 35.6 | 0 | 0 | 0 | 113.5 | A922 K923 V926 | P489-A922 HydrophobicContact CB-CB 4.04Å; P489-A922 HydrophobicContact CG-CB 3.89Å; P489-K923 HydrophobicContact CB-CG 4.03Å; P489-K923 HydrophobicContact CG-CG 3.88Å; P489-V926 HydrophobicContact CB-CG2 4.34Å; P489-V926 VanDerWaalsContact O-CG2 3.3Å; P489-V926 WeakPolarHBondContact O-CG2 3.09Å |
| 490 | L | 89.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -20.1 | -177.1 | -80.4 | 162.9 | 0 | 0 | 0 | 114.1 | L462 C465 T466 S488 L493 L494 A922 L925 V926 L929 | L462-L490 HydrophobicContact CD2-CD1 3.88Å; L462-L490 HydrophobicContact CD2-CD2 3.61Å; L462-L490 HydrophobicContact CD2-CG 4.39Å; C465-L490 HydrophobicContact CB-CD1 3.61Å; T466-L490 HydrophobicContact CG2-CB 3.78Å; T466-L490 HydrophobicContact CG2-CD1 3.86Å; T466-L490 HydrophobicContact CG2-CG 4.48Å; S488-L490 PolarHBondContact O-N 3.08Å; S488-L490 PolarHBondContact OG-N 3.41Å; L490-L493 PolarHBondContact O-N 3.25Å; L490-L494 HydrophobicContact CB-CD1 4.29Å; L490-L494 PolarHBondContact O-N 3.46Å; L490-L494 VanDerWaalsContact O-N 3.11Å; L490-A922 HydrophobicContact CD1-CB 4.07Å; L490-A922 HydrophobicContact CG-CB 4.33Å; L490-L925 HydrophobicContact CD1-CB 4.46Å; L490-L925 HydrophobicContact CD1-CD1 4.14Å; L490-L925 HydrophobicContact CD2-CB 4.12Å; L490-V926 HydrophobicContact CB-CG2 4.45Å; L490-V926 HydrophobicContact CD2-CG2 3.61Å; L490-V926 HydrophobicContact CG-CG2 3.91Å; L490-L929 HydrophobicContact CD2-CD1 4.5Å |
| 491 | G | 88.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -53 | -51.5 | -172 | 0 | 0 | 0 | 0 | 0 | 114.6 | S488 L493 L494 A495 | S488-G491 PolarHBondContact O-N 2.79Å; G491-L493 PolarHBondContact O-N 2.92Å; G491-L494 PolarHBondContact O-N 3.31Å; G491-A495 PolarHBondContact O-N 3.04Å |
| 492 | P | 88.9 | Confident | 87.8 | Confident | 53 Ų | 53 | 15.2 Ų | 15.2 | 34% | 0.344 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -64.1 | -36.3 | -179.7 | -23.6 | 34.6 | 0 | 0 | 0 | 113.8 | F428 A495 E496 | F428-P492 HydrophobicContact CE1-CB 4.4Å; F428-P492 HydrophobicContact CE1-CG 4.09Å; F428-P492 HydrophobicContact CZ-CG 4.48Å; P492-A495 PolarHBondContact O-N 3.48Å; P492-E496 PolarHBondContact O-N 3.42Å; P492-E496 VanDerWaalsContact O-N 3.17Å |
| 493 | L | 90 | Very high | 88.2 | Confident | 9 Ų | 9 | 12.8 Ų | 12.8 | 5% | 0.047 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -67.6 | -43.7 | 179.9 | -179.1 | 143.6 | 0 | 0 | 0 | 110.9 | L440 L490 G491 E496 V497 L929 | L440-L493 HydrophobicContact CD2-CD2 4.33Å; L490-L493 PolarHBondContact O-N 3.25Å; G491-L493 PolarHBondContact O-N 2.92Å; L493-E496 PolarHBondContact O-N 2.9Å; L493-V497 HydrophobicContact CD2-CG2 4.34Å; L493-V497 VanDerWaalsContact O-CG2 3.24Å; L493-V497 WeakPolarHBondContact O-CG2 3.44Å; L493-V497 PolarHBondContact O-N 2.67Å; L493-V497 VanDerWaalsContact O-N 3.11Å; L493-L929 HydrophobicContact CD1-CB 3.81Å; L493-L929 HydrophobicContact CD2-CB 4.31Å; L493-L929 HydrophobicContact CD2-CD1 4.23Å |
| 494 | L | 90.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.7 | -37.6 | 176.8 | -66.5 | 173.3 | 0 | 0 | 0 | 111.9 | L433 T436 V437 L440 T466 V484 L490 G491 E496 V497 F498 | L433-L494 HydrophobicContact CD1-CD1 3.79Å; T436-L494 HydrophobicContact CG2-CB 4.12Å; T436-L494 HydrophobicContact CG2-CD2 4.19Å; T436-L494 WeakPolarHBondContact CG2-O 3.49Å; V437-L494 HydrophobicContact CG2-CD2 4.13Å; L440-L494 HydrophobicContact CD2-CD2 4.38Å; T466-L494 HydrophobicContact CG2-CD1 3.98Å; V484-L494 HydrophobicContact CG1-CB 4.22Å; V484-L494 HydrophobicContact CG1-CD1 3.87Å; L490-L494 HydrophobicContact CB-CD1 4.29Å; L490-L494 PolarHBondContact O-N 3.46Å; L490-L494 VanDerWaalsContact O-N 3.11Å; G491-L494 PolarHBondContact O-N 3.31Å; L494-E496 PolarHBondContact O-N 3.17Å; L494-V497 PolarHBondContact O-N 2.76Å; L494-F498 PolarHBondContact O-N 2.85Å |
| 495 | A | 90.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.6 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | L427 F428 V431 G491 P492 M499 | L427-A495 HydrophobicContact CD2-CB 4.07Å; L427-A495 HydrophobicContact CG-CB 4.14Å; F428-A495 HydrophobicContact CE1-CB 4.45Å; V431-A495 HydrophobicContact CG2-CB 4.1Å; G491-A495 PolarHBondContact O-N 3.04Å; P492-A495 PolarHBondContact O-N 3.48Å; A495-M499 WeakPolarHBondContact O-CG 3.38Å; A495-M499 PolarHBondContact O-N 2.9Å; A495-M499 VanDerWaalsContact O-N 3.14Å |
| 496 | E | 89.2 | Confident | 88.1 | Confident | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.019 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.6 | -39.8 | 174.1 | -75.3 | -178.6 | 106.3 | 0 | 0 | 113.4 | P492 L493 L494 F498 M499 S500 M520 R933 S940 | P492-E496 PolarHBondContact O-N 3.42Å; P492-E496 VanDerWaalsContact O-N 3.17Å; L493-E496 PolarHBondContact O-N 2.9Å; L494-E496 PolarHBondContact O-N 3.17Å; E496-F498 VanDerWaalsContact C-N 3.33Å; E496-M499 PolarHBondContact O-N 2.9Å; E496-S500 WeakPolarHBondContact O-CB 3.46Å; E496-S500 PolarHBondContact O-N 2.02Å; E496-S500 PolarHBondContact O-OG 3.05Å; E496-M520 HydrophobicContact CG-CE 3.54Å; E496-M520 HydrophobicContact CG-SD 3.73Å; E496-R933 IonicContact OE1-NH1 2.63Å; E496-R933 PolarHBondContact OE1-NH1 3.47Å; E496-R933 WeakPolarHBondContact OE2-CD 3.35Å; E496-R933 IonicContact OE2-CZ 3.83Å; E496-R933 IonicContact OE2-NE 3.29Å; E496-R933 IonicContact OE2-NH1 2.77Å; E496-R933 PolarHBondContact OE2-NH1 2.91Å; E496-S940 PolarHBondContact OE1-OG 3.45Å |
| 497 | V | 90.8 | Very high | 88 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.9 | -45.2 | 177.2 | 163.7 | 0 | 0 | 0 | 0 | 110.2 | T436 F439 L440 L493 L494 S500 Y501 L936 | T436-V497 HydrophobicContact CG2-CB 4.24Å; T436-V497 HydrophobicContact CG2-CG1 3.89Å; F439-V497 HydrophobicContact CD1-CG1 3.86Å; F439-V497 HydrophobicContact CE1-CG1 4.32Å; L440-V497 HydrophobicContact CB-CG1 4Å; L440-V497 HydrophobicContact CD1-CG1 4.39Å; L440-V497 HydrophobicContact CD1-CG2 4.09Å; L440-V497 HydrophobicContact CD2-CG2 4.5Å; L493-V497 HydrophobicContact CD2-CG2 4.34Å; L493-V497 VanDerWaalsContact O-CG2 3.24Å; L493-V497 WeakPolarHBondContact O-CG2 3.44Å; L493-V497 PolarHBondContact O-N 2.67Å; L493-V497 VanDerWaalsContact O-N 3.11Å; L494-V497 PolarHBondContact O-N 2.76Å; V497-S500 WeakPolarHBondContact O-CB 3.5Å; V497-S500 PolarHBondContact O-N 3.48Å; V497-Y501 PolarHBondContact O-N 3.39Å; V497-L936 HydrophobicContact CG1-CD2 4.27Å; V497-L936 HydrophobicContact CG2-CD2 4.12Å |
| 498 | F | 91 | Very high | 88 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.5 | -46.6 | 176 | 177.8 | -95.5 | 0 | 0 | 0 | 112.4 | V431 P432 T436 L494 E496 S500 Y501 V502 Q544 I547 | V431-F498 HydrophobicContact CG1-CB 4Å; V431-F498 HydrophobicContact CG1-CG 4.37Å; P432-F498 HydrophobicContact CG-CD2 3.69Å; P432-F498 HydrophobicContact CG-CE2 3.36Å; P432-F498 HydrophobicContact CG-CZ 4.12Å; T436-F498 HydrophobicContact CG2-CB 3.89Å; L494-F498 PolarHBondContact O-N 2.85Å; E496-F498 VanDerWaalsContact C-N 3.33Å; F498-S500 PolarHBondContact O-N 3.08Å; F498-Y501 HydrophobicContact CD2-CD1 4.46Å; F498-Y501 HydrophobicContact CE2-CD1 4.04Å; F498-Y501 HydrophobicContact CE2-CE1 4.46Å; F498-Y501 VanDerWaalsContact O-CB 3.31Å; F498-Y501 WeakPolarHBondContact O-CB 3.34Å; F498-Y501 PolarHBondContact O-N 2.86Å; F498-V502 HydrophobicContact CD1-CG2 4.37Å; F498-V502 HydrophobicContact CE1-CG2 3.64Å; F498-V502 HydrophobicContact CZ-CG2 3.74Å; F498-V502 PolarHBondContact O-N 3.38Å; F498-V502 VanDerWaalsContact O-N 3.16Å; F498-Q544 HydrophobicContact CZ-CB 4.03Å; F498-Q544 HydrophobicContact CZ-CG 4.23Å; F498-I547 HydrophobicContact CD1-CD1 4.31Å; F498-I547 HydrophobicContact CE1-CB 4.48Å; F498-I547 HydrophobicContact CE1-CD1 3.8Å; F498-I547 HydrophobicContact CE1-CG1 3.61Å; F498-I547 HydrophobicContact CE1-CG2 4.48Å; F498-I547 HydrophobicContact CZ-CG1 4.02Å |
| 499 | M | 91.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.3 | -29 | 175.8 | -70.8 | -61.1 | -65.5 | 0 | 0 | 112.4 | V424 L427 A495 E496 V502 E503 I523 M549 | V424-M499 HydrophobicContact CG2-CE 3.83Å; V424-M499 HydrophobicContact CG2-SD 4.2Å; L427-M499 HydrophobicContact CD1-CG 4.16Å; L427-M499 HydrophobicContact CD1-SD 4.18Å; L427-M499 HydrophobicContact CD2-CG 4.46Å; A495-M499 WeakPolarHBondContact O-CG 3.38Å; A495-M499 PolarHBondContact O-N 2.9Å; A495-M499 VanDerWaalsContact O-N 3.14Å; E496-M499 PolarHBondContact O-N 2.9Å; M499-V502 PolarHBondContact O-N 3.17Å; M499-E503 VanDerWaalsContact O-CG 3.29Å; M499-E503 WeakPolarHBondContact O-CG 3.26Å; M499-E503 PolarHBondContact O-N 3.26Å; M499-I523 HydrophobicContact CE-CD1 4.18Å; M499-M549 HydrophobicContact CE-CE 3.84Å |
| 500 | S | 88.3 | Confident | 87.7 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -73.3 | -28 | 174.8 | -49.8 | 0 | 0 | 0 | 0 | 112.7 | E496 V497 F498 N504 C937 | E496-S500 WeakPolarHBondContact O-CB 3.46Å; E496-S500 PolarHBondContact O-N 2.02Å; E496-S500 PolarHBondContact O-OG 3.05Å; V497-S500 WeakPolarHBondContact O-CB 3.5Å; V497-S500 PolarHBondContact O-N 3.48Å; F498-S500 PolarHBondContact O-N 3.08Å; S500-N504 WeakPolarHBondContact O-CB 3.37Å; S500-N504 VanDerWaalsContact O-CG 3.26Å; S500-N504 PolarHBondContact O-N 2.81Å; S500-N504 PolarHBondContact O-ND2 2.91Å; S500-C937 WeakPolarHBondContact OG-CA 3.45Å; S500-C937 WeakPolarHBondContact OG-CB 3.25Å; S500-C937 PolarHBondContact OG-SG 2.97Å |
| 501 | Y | 90.8 | Very high | 87 | Confident | 64 Ų | 64 | 27.2 Ų | 27.2 | 25% | 0.251 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.9 | -46.8 | 167 | 162.8 | -93.7 | 0 | 0 | 0 | 110.6 | F439 V497 F498 E503 N504 M505 V543 | F439-Y501 AromaticContact CD2-CD2 3.82Å; F439-Y501 HydrophobicContact CD2-CD2 3.82Å; F439-Y501 HydrophobicContact CE2-CD2 4.09Å; F439-Y501 HydrophobicContact CG-CD2 4.14Å; V497-Y501 PolarHBondContact O-N 3.39Å; F498-Y501 HydrophobicContact CD2-CD1 4.46Å; F498-Y501 HydrophobicContact CE2-CD1 4.04Å; F498-Y501 HydrophobicContact CE2-CE1 4.46Å; F498-Y501 VanDerWaalsContact O-CB 3.31Å; F498-Y501 WeakPolarHBondContact O-CB 3.34Å; F498-Y501 PolarHBondContact O-N 2.86Å; Y501-E503 PolarHBondContact O-N 3.44Å; Y501-N504 PolarHBondContact O-N 3.02Å; Y501-M505 HydrophobicContact CD2-CG 4.43Å; Y501-M505 HydrophobicContact CE1-CG 4.4Å; Y501-M505 HydrophobicContact CE2-CG 4.11Å; Y501-M505 HydrophobicContact CE2-SD 4.42Å; Y501-M505 WeakPolarHBondContact O-CG 3.31Å; Y501-M505 PolarHBondContact O-N 3.36Å; Y501-V543 HydrophobicContact CD1-CG1 4.35Å; Y501-V543 HydrophobicContact CE1-CG1 3.71Å |
| 502 | V | 89.2 | Confident | 86.6 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.8 | -43.6 | 176.2 | 179.2 | 0 | 0 | 0 | 0 | 111.9 | F498 M499 N504 M505 T506 L540 V543 M549 | F498-V502 HydrophobicContact CD1-CG2 4.37Å; F498-V502 HydrophobicContact CE1-CG2 3.64Å; F498-V502 HydrophobicContact CZ-CG2 3.74Å; F498-V502 PolarHBondContact O-N 3.38Å; F498-V502 VanDerWaalsContact O-N 3.16Å; M499-V502 PolarHBondContact O-N 3.17Å; V502-N504 PolarHBondContact O-N 2.98Å; V502-M505 PolarHBondContact O-N 2.98Å; V502-T506 PolarHBondContact O-N 3.18Å; V502-T506 PolarHBondContact O-OG1 2.92Å; V502-L540 HydrophobicContact CG1-CD2 3.78Å; V502-V543 HydrophobicContact CG1-CB 4.25Å; V502-V543 HydrophobicContact CG1-CG2 4.13Å; V502-V543 HydrophobicContact CG2-CB 4.43Å; V502-V543 HydrophobicContact CG2-CG1 4.11Å; V502-M549 HydrophobicContact CG1-CE 4.14Å |
| 503 | E | 89.9 | Confident | 86.1 | Confident | 3 Ų | 3 | 31 Ų | 31 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.7 | -37 | 176.5 | -72.6 | 168 | 153.8 | 0 | 0 | 112.7 | M499 Y501 T506 S507 I510 Y516 R518 F939 | M499-E503 VanDerWaalsContact O-CG 3.29Å; M499-E503 WeakPolarHBondContact O-CG 3.26Å; M499-E503 PolarHBondContact O-N 3.26Å; Y501-E503 PolarHBondContact O-N 3.44Å; E503-T506 PolarHBondContact O-N 2.92Å; E503-T506 PolarHBondContact O-OG1 2.98Å; E503-S507 PolarHBondContact O-N 2.61Å; E503-S507 VanDerWaalsContact O-N 3.15Å; E503-I510 HydrophobicContact CB-CD1 4.31Å; E503-I510 HydrophobicContact CG-CD1 4.4Å; E503-Y516 HydrophobicContact CG-CE1 4.18Å; E503-Y516 WeakPolarHBondContact OE1-CE1 3.46Å; E503-R518 IonicContact OE1-CZ 3.15Å; E503-R518 IonicContact OE1-NE 2.67Å; E503-R518 PolarHBondContact OE1-NE 2.62Å; E503-R518 IonicContact OE1-NH2 2.87Å; E503-R518 PolarHBondContact OE1-NH2 3.25Å; E503-R518 IonicContact OE2-CZ 2.68Å; E503-R518 IonicContact OE2-NE 2.99Å; E503-R518 IonicContact OE2-NH2 3.09Å; E503-R518 PolarHBondContact OE2-NH2 3.12Å; E503-F939 HydrophobicContact CB-CD2 3.96Å; E503-F939 HydrophobicContact CB-CE2 4.26Å; E503-F939 HydrophobicContact CG-CD2 4.17Å |
| 504 | N | 85.8 | Confident | 85.2 | Confident | 57 Ų | 57 | 34 Ų | 34 | 31% | 0.305 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -69.9 | -37.6 | 175.5 | -74.2 | -42.2 | 0 | 0 | 0 | 112.2 | S500 Y501 V502 T506 S507 | S500-N504 WeakPolarHBondContact O-CB 3.37Å; S500-N504 VanDerWaalsContact O-CG 3.26Å; S500-N504 PolarHBondContact O-N 2.81Å; S500-N504 PolarHBondContact O-ND2 2.91Å; Y501-N504 PolarHBondContact O-N 3.02Å; V502-N504 PolarHBondContact O-N 2.98Å; N504-T506 PolarHBondContact O-N 3.49Å; N504-S507 PolarHBondContact O-OG 2.77Å; N504-S507 VanDerWaalsContact O-OG 3.06Å |
| 505 | M | 86.2 | Confident | 84.6 | Confident | 104 Ų | 104 | 34.9 Ų | 34.9 | 51% | 0.512 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -4.4 | 175.9 | -64.9 | -64.9 | 96 | 0 | 0 | 114.2 | Y501 V502 V543 | Y501-M505 HydrophobicContact CD2-CG 4.43Å; Y501-M505 HydrophobicContact CE1-CG 4.4Å; Y501-M505 HydrophobicContact CE2-CG 4.11Å; Y501-M505 HydrophobicContact CE2-SD 4.42Å; Y501-M505 WeakPolarHBondContact O-CG 3.31Å; Y501-M505 PolarHBondContact O-N 3.36Å; V502-M505 PolarHBondContact O-N 2.98Å; M505-V543 HydrophobicContact CB-CG1 4.2Å; M505-V543 HydrophobicContact CB-CG2 4.27Å; M505-V543 HydrophobicContact CG-CG1 4.29Å |
| 506 | T | 84.6 | Confident | 84.4 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.8 | 13.3 | -178 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | V502 E503 N504 D508 L509 I510 K539 L540 V543 | V502-T506 PolarHBondContact O-N 3.18Å; V502-T506 PolarHBondContact O-OG1 2.92Å; E503-T506 PolarHBondContact O-N 2.92Å; E503-T506 PolarHBondContact O-OG1 2.98Å; N504-T506 PolarHBondContact O-N 3.49Å; T506-D508 VanDerWaalsContact C-N 3.28Å; T506-D508 PolarHBondContact O-N 3.47Å; T506-D508 VanDerWaalsContact O-N 3.16Å; T506-L509 PolarHBondContact O-N 3.11Å; T506-I510 PolarHBondContact O-N 3.37Å; T506-I510 WeakPolarHBondContact OG1-CD1 3.3Å; T506-K539 HydrophobicContact CG2-CG 4.03Å; T506-L540 HydrophobicContact CG2-CD2 3.92Å; T506-L540 HydrophobicContact CG2-CG 4.4Å; T506-L540 WeakPolarHBondContact OG1-CD2 3.25Å; T506-V543 HydrophobicContact CG2-CG2 3.97Å |
| 507 | S | 80.9 | Confident | 84.3 | Confident | 52 Ų | 52 | 37.4 Ų | 37.4 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.8 | -31.5 | -169 | 51.1 | 0 | 0 | 0 | 0 | 114.9 | E503 N504 I510 G511 | E503-S507 PolarHBondContact O-N 2.61Å; E503-S507 VanDerWaalsContact O-N 3.15Å; N504-S507 PolarHBondContact O-OG 2.77Å; N504-S507 VanDerWaalsContact O-OG 3.06Å; S507-I510 PolarHBondContact O-N 3.44Å; S507-G511 PolarHBondContact O-N 3.45Å |
| 508 | D | 81 | Confident | 84.2 | Confident | 128 Ų | 128 | 37.3 Ų | 37.3 | 68% | 0.684 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -61.4 | -53.6 | 179.7 | -50.6 | -41.9 | 0 | 0 | 0 | 112 | T506 I510 G511 E512 | T506-D508 VanDerWaalsContact C-N 3.28Å; T506-D508 PolarHBondContact O-N 3.47Å; T506-D508 VanDerWaalsContact O-N 3.16Å; D508-I510 VanDerWaalsContact C-N 3.3Å; D508-I510 PolarHBondContact O-N 3.28Å; D508-G511 WeakPolarHBondContact O-CA 2.76Å; D508-G511 PolarHBondContact O-N 3.4Å; D508-G511 VanDerWaalsContact O-N 3.08Å; D508-E512 PolarHBondContact O-N 3.41Å |
| 509 | L | 80.4 | Confident | 83.9 | Confident | 22 Ų | 22 | 41 Ų | 41 | 12% | 0.115 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.6 | -28.1 | 178.7 | -71 | 91.5 | 0 | 0 | 0 | 112.2 | T506 G511 E512 R535 L536 K539 | T506-L509 PolarHBondContact O-N 3.11Å; L509-G511 VanDerWaalsContact C-N 3.27Å; L509-E512 PolarHBondContact O-N 3.04Å; L509-R535 HydrophobicContact CD2-CG 3.99Å; L509-L536 HydrophobicContact CB-CD1 3.91Å; L509-K539 HydrophobicContact CD1-CG 4.48Å |
| 510 | I | 84.3 | Confident | 83.6 | Confident | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.4 | -35.9 | 172.1 | -67.6 | 172.7 | 0 | 0 | 0 | 110.2 | E503 T506 S507 D508 E512 T513 Y516 L536 F939 | E503-I510 HydrophobicContact CB-CD1 4.31Å; E503-I510 HydrophobicContact CG-CD1 4.4Å; T506-I510 PolarHBondContact O-N 3.37Å; T506-I510 WeakPolarHBondContact OG1-CD1 3.3Å; S507-I510 PolarHBondContact O-N 3.44Å; D508-I510 VanDerWaalsContact C-N 3.3Å; D508-I510 PolarHBondContact O-N 3.28Å; I510-E512 VanDerWaalsContact C-N 3.32Å; I510-E512 PolarHBondContact O-N 3.38Å; I510-T513 WeakPolarHBondContact O-CB 3.16Å; I510-T513 PolarHBondContact O-N 2.96Å; I510-T513 PolarHBondContact O-OG1 3.08Å; I510-Y516 HydrophobicContact CD1-CD1 4.47Å; I510-Y516 HydrophobicContact CD1-CE1 4.06Å; I510-Y516 HydrophobicContact CD1-CE2 4.21Å; I510-Y516 HydrophobicContact CG1-CD2 4.17Å; I510-Y516 HydrophobicContact CG1-CE2 4.09Å; I510-Y516 HydrophobicContact CG1-CG 4.47Å; I510-Y516 HydrophobicContact CG2-CD1 3.87Å; I510-Y516 HydrophobicContact CG2-CD2 4.18Å; I510-Y516 HydrophobicContact CG2-CE1 4.49Å; I510-Y516 HydrophobicContact CG2-CG 3.7Å; I510-L536 HydrophobicContact CG1-CD1 4.22Å; I510-F939 HydrophobicContact CG2-CE1 3.8Å; I510-F939 HydrophobicContact CG2-CE2 4.27Å; I510-F939 HydrophobicContact CG2-CZ 3.65Å |
| 511 | G | 73.7 | Confident | 83.3 | Confident | 63 Ų | 63 | 44.7 Ų | 44.7 | 65% | 0.649 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -65.9 | -26.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115 | S507 D508 L509 T513 | S507-G511 PolarHBondContact O-N 3.45Å; D508-G511 WeakPolarHBondContact O-CA 2.76Å; D508-G511 PolarHBondContact O-N 3.4Å; D508-G511 VanDerWaalsContact O-N 3.08Å; L509-G511 VanDerWaalsContact C-N 3.27Å; G511-T513 PolarHBondContact O-N 3.04Å |
| 512 | E | 81 | Confident | 83.1 | Confident | 112 Ų | 112 | 43.7 Ų | 43.7 | 52% | 0.523 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -15.1 | 173.8 | -67 | -179.8 | -147.8 | 0 | 0 | 113.1 | D508 L509 I510 F531 | D508-E512 PolarHBondContact O-N 3.41Å; L509-E512 PolarHBondContact O-N 3.04Å; I510-E512 VanDerWaalsContact C-N 3.32Å; I510-E512 PolarHBondContact O-N 3.38Å; E512-F531 HydrophobicContact CB-CD2 4.12Å; E512-F531 HydrophobicContact CB-CE2 3.58Å; E512-F531 HydrophobicContact CB-CZ 4.49Å; E512-F531 WeakPolarHBondContact OE2-CE2 3.44Å |
| 513 | T | 77.8 | Confident | 83.1 | Confident | 21 Ų | 21 | 43.6 Ų | 43.6 | 13% | 0.129 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -78.6 | 156.9 | -179.1 | 73.8 | 0 | 0 | 0 | 0 | 112.9 | I510 G511 I525 F531 L536 | I510-T513 WeakPolarHBondContact O-CB 3.16Å; I510-T513 PolarHBondContact O-N 2.96Å; I510-T513 PolarHBondContact O-OG1 3.08Å; G511-T513 PolarHBondContact O-N 3.04Å; T513-I525 HydrophobicContact CG2-CG2 4.07Å; T513-F531 HydrophobicContact CG2-CE1 4.15Å; T513-F531 HydrophobicContact CG2-CZ 4.07Å; T513-L536 HydrophobicContact CG2-CD2 4.31Å |
| 514 | T | 71.9 | Confident | 82.9 | Confident | 70 Ų | 70 | 43.7 Ų | 43.7 | 43% | 0.429 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -78.9 | -30.7 | 171.7 | -64.2 | 0 | 0 | 0 | 0 | 112.3 | K417 I526 | K417-T514 HydrophobicContact CD-CG2 3.85Å; K417-T514 PolarHBondContact NZ-OG1 2.89Å; T514-I526 CarbonylContact C-O 3.52Å; T514-I526 WeakPolarHBondContact CA-O 3.29Å; T514-I526 VanDerWaalsContact CB-O 3.31Å; T514-I526 WeakPolarHBondContact CB-O 3.49Å; T514-I526 HydrophobicContact CG2-CG2 4.44Å; T514-I526 PolarHBondContact N-O 3.43Å |
| 515 | L | 78.7 | Confident | 82.8 | Confident | 20 Ų | 20 | 41 Ų | 41 | 11% | 0.105 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 132.6 | 175.2 | -171.3 | 74.4 | 0 | 0 | 0 | 109.4 | R517 I525 I526 F950 | L515-R517 HydrophobicContact CD1-CG 4.5Å; L515-I525 CarbonylContact O-C 3.59Å; L515-I525 WeakPolarHBondContact O-CA 3.42Å; L515-I526 HydrophobicContact CB-CB 3.95Å; L515-I526 HydrophobicContact CB-CD1 4.22Å; L515-I526 HydrophobicContact CB-CG1 4.09Å; L515-I526 HydrophobicContact CD2-CD1 3.8Å; L515-I526 HydrophobicContact CD2-CG1 4.23Å; L515-I526 PolarHBondContact N-O 3.03Å; L515-I526 PolarHBondContact O-N 3.23Å; L515-F950 HydrophobicContact CD1-CD1 4.09Å; L515-F950 HydrophobicContact CD1-CE1 3.69Å |
| 516 | Y | 85.8 | Confident | 82.5 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 125.9 | 171.1 | -178.7 | -81 | 0 | 0 | 0 | 109.2 | E503 I510 I523 I525 F939 | E503-Y516 HydrophobicContact CG-CE1 4.18Å; E503-Y516 WeakPolarHBondContact OE1-CE1 3.46Å; I510-Y516 HydrophobicContact CD1-CD1 4.47Å; I510-Y516 HydrophobicContact CD1-CE1 4.06Å; I510-Y516 HydrophobicContact CD1-CE2 4.21Å; I510-Y516 HydrophobicContact CG1-CD2 4.17Å; I510-Y516 HydrophobicContact CG1-CE2 4.09Å; I510-Y516 HydrophobicContact CG1-CG 4.47Å; I510-Y516 HydrophobicContact CG2-CD1 3.87Å; I510-Y516 HydrophobicContact CG2-CD2 4.18Å; I510-Y516 HydrophobicContact CG2-CE1 4.49Å; I510-Y516 HydrophobicContact CG2-CG 3.7Å; Y516-I523 HydrophobicContact CD2-CG2 4.35Å; Y516-I523 HydrophobicContact CE1-CG2 4.4Å; Y516-I523 HydrophobicContact CE2-CG2 3.7Å; Y516-I525 HydrophobicContact CD2-CD1 3.95Å; Y516-I525 HydrophobicContact CD2-CG1 3.83Å; Y516-I525 HydrophobicContact CE2-CD1 3.98Å; Y516-I525 HydrophobicContact CE2-CG1 4.2Å; Y516-F939 HydrophobicContact CD1-CB 4Å; Y516-F939 AromaticContact CD1-CD1 3.8Å; Y516-F939 HydrophobicContact CD1-CD1 3.8Å; Y516-F939 HydrophobicContact CD1-CD2 4.44Å; Y516-F939 HydrophobicContact CD1-CE1 4.38Å; Y516-F939 AromaticContact CD1-CG 3.83Å; Y516-F939 HydrophobicContact CD1-CG 3.83Å; Y516-F939 HydrophobicContact CE1-CB 4.07Å; Y516-F939 HydrophobicContact CE1-CD2 4.41Å; Y516-F939 HydrophobicContact CE1-CG 4.09Å |
| 517 | R | 87.5 | Confident | 82.2 | Confident | 52 Ų | 52 | 36.3 Ų | 36.3 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 146.4 | 178.4 | -69.6 | -63.2 | -179.9 | -98.2 | 6.9 | 110.9 | L515 L524 L941 | L515-R517 HydrophobicContact CD1-CG 4.5Å; R517-L524 PolarHBondContact N-O 2.78Å; R517-L524 PolarHBondContact O-N 3.19Å; R517-L941 HydrophobicContact CB-CD1 3.93Å; R517-L941 HydrophobicContact CB-CD2 4.25Å; R517-L941 HydrophobicContact CB-CG 4.08Å; R517-L941 HydrophobicContact CG-CD2 4.27Å |
| 518 | R | 88.4 | Confident | 82 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 148.9 | -178.2 | 177.6 | 175.3 | 55.2 | 80.1 | 1.2 | 111.7 | E503 M520 D522 I523 F939 S940 L941 | E503-R518 IonicContact OE1-CZ 3.15Å; E503-R518 IonicContact OE1-NE 2.67Å; E503-R518 PolarHBondContact OE1-NE 2.62Å; E503-R518 IonicContact OE1-NH2 2.87Å; E503-R518 PolarHBondContact OE1-NH2 3.25Å; E503-R518 IonicContact OE2-CZ 2.68Å; E503-R518 IonicContact OE2-NE 2.99Å; E503-R518 IonicContact OE2-NH2 3.09Å; E503-R518 PolarHBondContact OE2-NH2 3.12Å; R518-M520 WeakPolarHBondContact CD-O 3.38Å; R518-M520 PolarHBondContact NH1-O 3.03Å; R518-D522 CarbonylContact C-O 3.58Å; R518-D522 VanDerWaalsContact CA-O 3.31Å; R518-D522 WeakPolarHBondContact CA-O 3.49Å; R518-D522 WeakPolarHBondContact CG-O 3.21Å; R518-I523 HydrophobicContact CB-CG1 4.05Å; R518-I523 HydrophobicContact CG-CG1 3.73Å; R518-F939 PolarHBondContact N-O 3.16Å; R518-S940 CarbonylContact O-C 3.55Å; R518-S940 WeakPolarHBondContact O-CA 3.22Å; R518-L941 WeakPolarHBondContact O-CB 2.98Å; R518-L941 WeakPolarHBondContact O-CG 3.33Å; R518-L941 PolarHBondContact O-N 3.22Å |
| 519 | Y | 84.9 | Confident | 81.8 | Confident | 79 Ų | 79 | 36.6 Ų | 36.6 | 31% | 0.31 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 110.3 | 163.5 | 171.3 | -84.2 | 0 | 0 | 0 | 107 | D521 D522 L562 L941 | Y519-D521 PolarHBondContact O-N 3.07Å; Y519-D522 PolarHBondContact N-O 3.47Å; Y519-D522 PolarHBondContact O-N 3.17Å; Y519-L562 HydrophobicContact CD1-CD1 4.47Å; Y519-L562 HydrophobicContact CD1-CD2 3.28Å; Y519-L562 HydrophobicContact CD1-CG 4.48Å; Y519-L562 HydrophobicContact CE1-CD2 3.94Å; Y519-L562 HydrophobicContact CG-CD1 4.03Å; Y519-L562 HydrophobicContact CG-CD2 3.7Å; Y519-L941 WeakPolarHBondContact CD2-O 3.26Å |
| 520 | M | 83.7 | Confident | 81.7 | Confident | 33 Ų | 33 | 44.1 Ų | 44.1 | 16% | 0.163 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | -102.4 | -178.6 | -62.2 | -69.1 | 152.2 | 0 | 0 | 112.7 | E496 R518 | E496-M520 HydrophobicContact CG-CE 3.54Å; E496-M520 HydrophobicContact CG-SD 3.73Å; R518-M520 WeakPolarHBondContact CD-O 3.38Å; R518-M520 PolarHBondContact NH1-O 3.03Å |
| 521 | D | 83.8 | Confident | 81.5 | Confident | 44 Ų | 44 | 45.3 Ų | 45.3 | 24% | 0.235 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -32.6 | 179.1 | 28.2 | 0.7 | 0 | 0 | 0 | 114 | D423 V424 L427 Y519 | D423-D521 WeakPolarHBondContact CA-O 3.49Å; V424-D521 HydrophobicContact CB-CB 4.19Å; V424-D521 PolarHBondContact N-O 3.08Å; L427-D521 HydrophobicContact CD2-CB 4.34Å; Y519-D521 PolarHBondContact O-N 3.07Å |
| 522 | D | 85.3 | Confident | 82.1 | Confident | 44 Ų | 44 | 46.3 Ų | 46.3 | 24% | 0.235 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 126.1 | 178.8 | -71.2 | -106.5 | 0 | 0 | 0 | 113 | F422 R518 Y519 F561 L562 | F422-D522 CarbonylContact O-C 3.58Å; R518-D522 CarbonylContact C-O 3.58Å; R518-D522 VanDerWaalsContact CA-O 3.31Å; R518-D522 WeakPolarHBondContact CA-O 3.49Å; R518-D522 WeakPolarHBondContact CG-O 3.21Å; Y519-D522 PolarHBondContact N-O 3.47Å; Y519-D522 PolarHBondContact O-N 3.17Å; D522-F561 HydrophobicContact CB-CD2 4.38Å; D522-F561 HydrophobicContact CB-CE2 3.6Å; D522-F561 HydrophobicContact CB-CZ 3.93Å; D522-L562 HydrophobicContact CB-CD2 3.78Å; D522-L562 HydrophobicContact CB-CG 4.21Å; D522-L562 VanDerWaalsContact CG-CD2 3.47Å; D522-L562 PolarHBondContact OD1-N 3.46Å; D522-L562 VanDerWaalsContact OD2-CD2 3.22Å; D522-L562 WeakPolarHBondContact OD2-CD2 3.47Å |
| 523 | I | 88.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 139.6 | 173.4 | -55.1 | 169 | 0 | 0 | 0 | 111.4 | S421 F422 M499 Y516 R518 I525 M549 F561 | S421-I523 CarbonylContact C-O 3.52Å; S421-I523 WeakPolarHBondContact CA-O 3.38Å; S421-I523 WeakPolarHBondContact CB-O 3.44Å; F422-I523 HydrophobicContact CB-CB 4.14Å; F422-I523 HydrophobicContact CB-CD1 4.31Å; F422-I523 HydrophobicContact CD2-CB 4.45Å; F422-I523 HydrophobicContact CD2-CD1 4.29Å; F422-I523 HydrophobicContact CD2-CG2 4.41Å; F422-I523 PolarHBondContact N-O 2.83Å; F422-I523 PolarHBondContact O-N 3.39Å; M499-I523 HydrophobicContact CE-CD1 4.18Å; Y516-I523 HydrophobicContact CD2-CG2 4.35Å; Y516-I523 HydrophobicContact CE1-CG2 4.4Å; Y516-I523 HydrophobicContact CE2-CG2 3.7Å; R518-I523 HydrophobicContact CB-CG1 4.05Å; R518-I523 HydrophobicContact CG-CG1 3.73Å; I523-I525 HydrophobicContact CG2-CD1 4.42Å; I523-I525 HydrophobicContact CG2-CG1 4.13Å; I523-M549 HydrophobicContact CD1-SD 3.83Å; I523-F561 WeakPolarHBondContact O-CE2 3.34Å |
| 524 | L | 86.7 | Confident | 82.8 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.5 | 176.3 | 175.5 | 67.6 | 0 | 0 | 0 | 111.4 | R517 L559 F561 L566 L947 | R517-L524 PolarHBondContact N-O 2.78Å; R517-L524 PolarHBondContact O-N 3.19Å; L524-L559 HydrophobicContact CD1-CD2 3.76Å; L524-F561 HydrophobicContact CB-CD1 4.06Å; L524-F561 HydrophobicContact CB-CD2 3.86Å; L524-F561 HydrophobicContact CB-CE1 3.84Å; L524-F561 HydrophobicContact CB-CE2 3.63Å; L524-F561 HydrophobicContact CB-CG 4.07Å; L524-F561 HydrophobicContact CB-CZ 3.62Å; L524-F561 HydrophobicContact CD1-CG 4.35Å; L524-F561 HydrophobicContact CD2-CD1 4.09Å; L524-F561 HydrophobicContact CD2-CE1 4.33Å; L524-F561 HydrophobicContact CD2-CG 4.46Å; L524-L566 HydrophobicContact CD1-CD1 3.8Å; L524-L566 HydrophobicContact CD2-CD1 3.9Å; L524-L947 HydrophobicContact CD2-CD1 3.93Å; L524-L947 HydrophobicContact CD2-CD2 3.93Å |
| 525 | I | 83.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 137.1 | -177.2 | -52.5 | -177.3 | 0 | 0 | 0 | 110.9 | H420 F422 T513 L515 Y516 I523 L536 | H420-I525 PolarHBondContact N-O 2.96Å; H420-I525 VanDerWaalsContact N-O 3.08Å; H420-I525 PolarHBondContact O-N 3.27Å; F422-I525 HydrophobicContact CD2-CD1 3.98Å; F422-I525 HydrophobicContact CE2-CD1 3.41Å; F422-I525 VanDerWaalsContact CE2-CD1 3.41Å; F422-I525 HydrophobicContact CZ-CD1 3.81Å; T513-I525 HydrophobicContact CG2-CG2 4.07Å; L515-I525 CarbonylContact O-C 3.59Å; L515-I525 WeakPolarHBondContact O-CA 3.42Å; Y516-I525 HydrophobicContact CD2-CD1 3.95Å; Y516-I525 HydrophobicContact CD2-CG1 3.83Å; Y516-I525 HydrophobicContact CE2-CD1 3.98Å; Y516-I525 HydrophobicContact CE2-CG1 4.2Å; I523-I525 HydrophobicContact CG2-CD1 4.42Å; I523-I525 HydrophobicContact CG2-CG1 4.13Å; I525-L536 HydrophobicContact CD1-CD2 3.82Å |
| 526 | I | 80.7 | Confident | 83.9 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 5% | 0.046 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 126.1 | 164.5 | -50.1 | -178 | 0 | 0 | 0 | 107.9 | K417 S418 L419 T514 L515 I574 | K417-I526 HydrophobicContact CB-CG2 4.08Å; S418-I526 WeakPolarHBondContact O-CA 3.49Å; S418-I526 WeakPolarHBondContact O-CG2 3.25Å; L419-I526 HydrophobicContact CD1-CD1 4.42Å; L419-I526 HydrophobicContact CD1-CG1 4.23Å; L419-I526 HydrophobicContact CD1-CG2 4.33Å; L419-I526 HydrophobicContact CG-CG1 4.19Å; T514-I526 CarbonylContact C-O 3.52Å; T514-I526 WeakPolarHBondContact CA-O 3.29Å; T514-I526 VanDerWaalsContact CB-O 3.31Å; T514-I526 WeakPolarHBondContact CB-O 3.49Å; T514-I526 HydrophobicContact CG2-CG2 4.44Å; T514-I526 PolarHBondContact N-O 3.43Å; L515-I526 HydrophobicContact CB-CB 3.95Å; L515-I526 HydrophobicContact CB-CD1 4.22Å; L515-I526 HydrophobicContact CB-CG1 4.09Å; L515-I526 HydrophobicContact CD2-CD1 3.8Å; L515-I526 HydrophobicContact CD2-CG1 4.23Å; L515-I526 PolarHBondContact N-O 3.03Å; L515-I526 PolarHBondContact O-N 3.23Å; I526-I574 HydrophobicContact CD1-CD1 4.03Å |
| 527 | C | 77.7 | Confident | 84 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 174 | -178.8 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | K417 S418 H420 F531 V533 | K417-C527 CarbonylContact C-O 3.56Å; K417-C527 WeakPolarHBondContact CA-O 3.46Å; K417-C527 VanDerWaalsContact CB-O 3.24Å; K417-C527 WeakPolarHBondContact CB-O 3.34Å; S418-C527 PolarHBondContact N-O 3.35Å; S418-C527 PolarHBondContact O-N 3.37Å; S418-C527 PolarHBondContact OG-SG 3.39Å; H420-C527 PolarHBondContact NE2-SG 3.12Å; C527-F531 HydrophobicContact CB-CB 3.87Å; C527-F531 HydrophobicContact CB-CD1 3.57Å; C527-F531 HydrophobicContact CB-CE1 4.35Å; C527-F531 HydrophobicContact CB-CG 3.88Å; C527-V533 VanDerWaalsContact SG-CG2 3.52Å |
| 528 | D | 76.3 | Confident | 84 | Confident | 68 Ų | 68 | 52.1 Ų | 52.1 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 159.3 | 169.3 | -158.4 | -81.7 | 0 | 0 | 0 | 110.9 | H530 F531 | D528-H530 PolarHBondContact O-N 3.08Å; D528-H530 IonicContact OD1-CD2 3.89Å; D528-H530 PolarHBondContact OD1-CD2 2.68Å; D528-H530 VanDerWaalsContact OD1-CD2 3.29Å; D528-H530 IonicContact OD1-CG 2.58Å; D528-H530 PolarHBondContact OD1-N 2.69Å; D528-F531 PolarHBondContact O-N 2.92Å |
| 529 | K | 77.6 | Confident | 83.8 | Confident | 117 Ų | 117 | 57.5 Ų | 57.5 | 51% | 0.509 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -22 | 173.1 | -72.6 | 164.8 | -177.5 | 169.7 | 0 | 112.4 | D416 | D416-K529 VanDerWaalsContact O-CD 3.28Å; D416-K529 WeakPolarHBondContact O-CD 3.37Å; D416-K529 WeakPolarHBondContact O-CE 3.42Å; D416-K529 VanDerWaalsContact O-CG 3.31Å; D416-K529 WeakPolarHBondContact O-CG 3.24Å; D416-K529 IonicContact OD1-NZ 3.11Å; D416-K529 PolarHBondContact OD1-NZ 2.86Å |
| 530 | H | 78.6 | Confident | 84 | Confident | 181 Ų | 181 | 53.8 Ų | 53.8 | 84% | 0.838 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -0.6 | 178.7 | -61.8 | -72.4 | 0 | 0 | 0 | 114.2 | D528 | D528-H530 PolarHBondContact O-N 3.08Å; D528-H530 IonicContact OD1-CD2 3.89Å; D528-H530 PolarHBondContact OD1-CD2 2.68Å; D528-H530 VanDerWaalsContact OD1-CD2 3.29Å; D528-H530 IonicContact OD1-CG 2.58Å; D528-H530 PolarHBondContact OD1-N 2.69Å |
| 531 | F | 79.5 | Confident | 84 | Confident | 30 Ų | 30 | 54.2 Ų | 54.2 | 13% | 0.132 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -83.7 | 131.8 | 177.9 | 177.1 | -95.5 | 0 | 0 | 0 | 111.5 | E512 T513 C527 D528 V533 L536 | E512-F531 HydrophobicContact CB-CD2 4.12Å; E512-F531 HydrophobicContact CB-CE2 3.58Å; E512-F531 HydrophobicContact CB-CZ 4.49Å; E512-F531 WeakPolarHBondContact OE2-CE2 3.44Å; T513-F531 HydrophobicContact CG2-CE1 4.15Å; T513-F531 HydrophobicContact CG2-CZ 4.07Å; C527-F531 HydrophobicContact CB-CB 3.87Å; C527-F531 HydrophobicContact CB-CD1 3.57Å; C527-F531 HydrophobicContact CB-CE1 4.35Å; C527-F531 HydrophobicContact CB-CG 3.88Å; D528-F531 PolarHBondContact O-N 2.92Å; F531-V533 HydrophobicContact CD1-CG2 3.8Å; F531-V533 HydrophobicContact CE1-CG2 4.16Å; F531-V533 PolarHBondContact O-N 2.66Å; F531-L536 HydrophobicContact CE1-CB 4.45Å; F531-L536 HydrophobicContact CE1-CD2 4.25Å; F531-L536 HydrophobicContact CZ-CB 4.43Å; F531-L536 HydrophobicContact CZ-CD2 4.34Å |
| 532 | D | 85.7 | Confident | 84.1 | Confident | 85 Ų | 85 | 55.1 Ų | 55.1 | 46% | 0.455 | 27% | 0.272 | S | S | . | . | trans | -80.6 | 99.7 | 178.6 | -173.1 | -8.6 | 0 | 0 | 0 | 111.7 | Y534 R535 | D532-Y534 VanDerWaalsContact C-N 3.35Å; D532-Y534 WeakPolarHBondContact OD1-CA 3.43Å; D532-Y534 WeakPolarHBondContact OD1-CB 3.47Å; D532-Y534 PolarHBondContact OD1-N 2.72Å; D532-R535 HydrophobicContact CB-CB 4.02Å; D532-R535 PolarHBondContact OD1-N 3.44Å; D532-R535 WeakPolarHBondContact OD2-CB 3.42Å | ||
| 533 | V | 84.9 | Confident | 84 | Confident | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.3 | -25.3 | 177.6 | 177.5 | 0 | 0 | 0 | 0 | 112.6 | H420 F422 C527 F531 L536 L537 | H420-V533 HydrophobicContact CB-CG1 4.31Å; F422-V533 HydrophobicContact CE1-CG1 4.02Å; F422-V533 HydrophobicContact CZ-CG1 3.8Å; C527-V533 VanDerWaalsContact SG-CG2 3.52Å; F531-V533 HydrophobicContact CD1-CG2 3.8Å; F531-V533 HydrophobicContact CE1-CG2 4.16Å; F531-V533 PolarHBondContact O-N 2.66Å; V533-L536 PolarHBondContact O-N 3.35Å; V533-L537 PolarHBondContact O-N 2.82Å |
| 534 | Y | 88.5 | Confident | 83.6 | Confident | 128 Ų | 128 | 55.7 Ų | 55.7 | 50% | 0.502 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -73.5 | -41.2 | 178.8 | -67.4 | -71.6 | 0 | 0 | 0 | 110.7 | D532 L536 L537 D538 H551 | D532-Y534 VanDerWaalsContact C-N 3.35Å; D532-Y534 WeakPolarHBondContact OD1-CA 3.43Å; D532-Y534 WeakPolarHBondContact OD1-CB 3.47Å; D532-Y534 PolarHBondContact OD1-N 2.72Å; Y534-L536 PolarHBondContact O-N 2.82Å; Y534-L537 HydrophobicContact CD1-CD2 4.42Å; Y534-L537 WeakPolarHBondContact O-CB 3.37Å; Y534-L537 PolarHBondContact O-N 3.31Å; Y534-D538 PolarHBondContact O-N 3.06Å; Y534-H551 AromaticContact CE1-CE1 3.85Å; Y534-H551 AromaticContact CE1-ND1 3.47Å; Y534-H551 WeakPolarHBondContact CE1-ND1 3.22Å; Y534-H551 AromaticContact CZ-CE1 3.75Å; Y534-H551 AromaticContact CZ-ND1 3.77Å; Y534-H551 PolarHBondContact OH-CE1 3.25Å; Y534-H551 PolarHBondContact OH-ND1 2.89Å |
| 535 | R | 87.8 | Confident | 83.1 | Confident | 143 Ų | 143 | 62.5 Ų | 62.5 | 54% | 0.54 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -54.3 | -34.9 | 170.6 | -175.4 | -178.4 | 180 | -141.2 | -1 | 113.3 | L509 D532 K539 | L509-R535 HydrophobicContact CD2-CG 3.99Å; D532-R535 HydrophobicContact CB-CB 4.02Å; D532-R535 PolarHBondContact OD1-N 3.44Å; D532-R535 WeakPolarHBondContact OD2-CB 3.42Å; R535-K539 VanDerWaalsContact O-CB 3.28Å; R535-K539 WeakPolarHBondContact O-CB 3.23Å; R535-K539 PolarHBondContact O-N 2.76Å |
| 536 | L | 86.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -73.6 | -43.8 | 173.6 | 175.8 | 59.3 | 0 | 0 | 0 | 112.1 | L509 I510 T513 I525 F531 V533 Y534 K539 L540 | L509-L536 HydrophobicContact CB-CD1 3.91Å; I510-L536 HydrophobicContact CG1-CD1 4.22Å; T513-L536 HydrophobicContact CG2-CD2 4.31Å; I525-L536 HydrophobicContact CD1-CD2 3.82Å; F531-L536 HydrophobicContact CE1-CB 4.45Å; F531-L536 HydrophobicContact CE1-CD2 4.25Å; F531-L536 HydrophobicContact CZ-CB 4.43Å; F531-L536 HydrophobicContact CZ-CD2 4.34Å; V533-L536 PolarHBondContact O-N 3.35Å; Y534-L536 PolarHBondContact O-N 2.82Å; L536-K539 PolarHBondContact O-N 3.36Å; L536-L540 HydrophobicContact CD1-CD1 4.03Å; L536-L540 HydrophobicContact CD1-CG 4.16Å; L536-L540 HydrophobicContact CG-CD1 4.02Å; L536-L540 VanDerWaalsContact O-CG 3.3Å; L536-L540 WeakPolarHBondContact O-CG 3.48Å; L536-L540 PolarHBondContact O-N 2.94Å |
| 537 | L | 87.4 | Confident | 82.3 | Confident | 17 Ų | 17 | 65.9 Ų | 65.9 | 9% | 0.089 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60 | -48 | 177.4 | 179.9 | 62.9 | 0 | 0 | 0 | 112.2 | F422 V533 Y534 K539 L540 N541 M549 H551 | F422-L537 HydrophobicContact CD1-CD1 3.97Å; F422-L537 HydrophobicContact CD2-CD1 4.27Å; F422-L537 HydrophobicContact CE1-CB 4.17Å; F422-L537 HydrophobicContact CE1-CD1 3.89Å; F422-L537 HydrophobicContact CE1-CD2 4.38Å; F422-L537 HydrophobicContact CE1-CG 4.38Å; F422-L537 HydrophobicContact CE2-CB 4.43Å; F422-L537 HydrophobicContact CE2-CD1 4.19Å; F422-L537 HydrophobicContact CG-CD1 4.17Å; F422-L537 HydrophobicContact CZ-CB 3.83Å; F422-L537 HydrophobicContact CZ-CD1 4.01Å; F422-L537 HydrophobicContact CZ-CG 4.42Å; V533-L537 PolarHBondContact O-N 2.82Å; Y534-L537 HydrophobicContact CD1-CD2 4.42Å; Y534-L537 WeakPolarHBondContact O-CB 3.37Å; Y534-L537 PolarHBondContact O-N 3.31Å; L537-K539 VanDerWaalsContact C-N 3.32Å; L537-K539 PolarHBondContact O-N 2.92Å; L537-L540 PolarHBondContact O-N 3.04Å; L537-N541 PolarHBondContact O-N 3.32Å; L537-N541 PolarHBondContact O-ND2 3.24Å; L537-M549 HydrophobicContact CD1-CB 3.86Å; L537-H551 HydrophobicContact CD2-CB 3.93Å |
| 538 | D | 87.2 | Confident | 82.4 | Confident | 108 Ų | 108 | 69.6 Ų | 69.6 | 58% | 0.578 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.3 | -41.1 | 178.6 | -67.5 | -23 | 0 | 0 | 0 | 111.1 | Y534 L540 N541 G542 | Y534-D538 PolarHBondContact O-N 3.06Å; D538-L540 PolarHBondContact O-N 2.84Å; D538-N541 PolarHBondContact O-N 3.49Å; D538-G542 PolarHBondContact O-N 2.99Å |
| 539 | K | 86.1 | Confident | 82.9 | Confident | 112 Ų | 112 | 66.8 Ų | 66.8 | 49% | 0.487 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.3 | -31.2 | 178.6 | -173.6 | 56.7 | 178.8 | 175.7 | 0 | 112.9 | T506 L509 R535 L536 L537 V543 | T506-K539 HydrophobicContact CG2-CG 4.03Å; L509-K539 HydrophobicContact CD1-CG 4.48Å; R535-K539 VanDerWaalsContact O-CB 3.28Å; R535-K539 WeakPolarHBondContact O-CB 3.23Å; R535-K539 PolarHBondContact O-N 2.76Å; L536-K539 PolarHBondContact O-N 3.36Å; L537-K539 VanDerWaalsContact C-N 3.32Å; L537-K539 PolarHBondContact O-N 2.92Å; K539-V543 WeakPolarHBondContact O-CG2 2.86Å |
| 540 | L | 87.1 | Confident | 83.1 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.7 | -47.6 | 172.9 | -75.3 | 165.7 | 0 | 0 | 0 | 111.9 | F422 V502 T506 L536 L537 D538 G542 V543 M549 | F422-L540 HydrophobicContact CD2-CD1 4.14Å; F422-L540 HydrophobicContact CE2-CD1 3.83Å; V502-L540 HydrophobicContact CG1-CD2 3.78Å; T506-L540 HydrophobicContact CG2-CD2 3.92Å; T506-L540 HydrophobicContact CG2-CG 4.4Å; T506-L540 WeakPolarHBondContact OG1-CD2 3.25Å; L536-L540 HydrophobicContact CD1-CD1 4.03Å; L536-L540 HydrophobicContact CD1-CG 4.16Å; L536-L540 HydrophobicContact CG-CD1 4.02Å; L536-L540 VanDerWaalsContact O-CG 3.3Å; L536-L540 WeakPolarHBondContact O-CG 3.48Å; L536-L540 PolarHBondContact O-N 2.94Å; L537-L540 PolarHBondContact O-N 3.04Å; D538-L540 PolarHBondContact O-N 2.84Å; L540-G542 VanDerWaalsContact C-N 3.28Å; L540-G542 PolarHBondContact O-N 3.5Å; L540-V543 PolarHBondContact O-N 3.22Å; L540-M549 HydrophobicContact CB-CE 3.89Å; L540-M549 HydrophobicContact CB-SD 3.98Å; L540-M549 HydrophobicContact CD1-SD 4.19Å; L540-M549 HydrophobicContact CD2-CE 4.39Å |
| 541 | N | 85.5 | Confident | 83.4 | Confident | 41 Ų | 41 | 57.2 Ų | 57.2 | 22% | 0.219 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.5 | -36.4 | 175.9 | -74.6 | -32.8 | 0 | 0 | 0 | 111.8 | L537 D538 V543 M549 | L537-N541 PolarHBondContact O-N 3.32Å; L537-N541 PolarHBondContact O-ND2 3.24Å; D538-N541 PolarHBondContact O-N 3.49Å; N541-V543 PolarHBondContact O-N 3.43Å; N541-V543 VanDerWaalsContact O-N 3.11Å; N541-M549 WeakPolarHBondContact OD1-CB 3.29Å; N541-M549 WeakPolarHBondContact OD1-CG 3.17Å; N541-M549 PolarHBondContact OD1-N 2.88Å |
| 542 | G | 84.5 | Confident | 83.5 | Confident | 63 Ų | 63 | 61.2 Ų | 61.2 | 65% | 0.649 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 2.8 | 179 | 0 | 0 | 0 | 0 | 0 | 116.6 | D538 L540 | D538-G542 PolarHBondContact O-N 2.99Å; L540-G542 VanDerWaalsContact C-N 3.28Å; L540-G542 PolarHBondContact O-N 3.5Å |
| 543 | V | 84.2 | Confident | 83.2 | Confident | 28 Ų | 28 | 60.3 Ų | 60.3 | 17% | 0.17 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -32.6 | 178.5 | -178.2 | 0 | 0 | 0 | 0 | 112.9 | Y501 V502 M505 T506 K539 L540 N541 | Y501-V543 HydrophobicContact CD1-CG1 4.35Å; Y501-V543 HydrophobicContact CE1-CG1 3.71Å; V502-V543 HydrophobicContact CG1-CB 4.25Å; V502-V543 HydrophobicContact CG1-CG2 4.13Å; V502-V543 HydrophobicContact CG2-CB 4.43Å; V502-V543 HydrophobicContact CG2-CG1 4.11Å; M505-V543 HydrophobicContact CB-CG1 4.2Å; M505-V543 HydrophobicContact CB-CG2 4.27Å; M505-V543 HydrophobicContact CG-CG1 4.29Å; T506-V543 HydrophobicContact CG2-CG2 3.97Å; K539-V543 WeakPolarHBondContact O-CG2 2.86Å; L540-V543 PolarHBondContact O-N 3.22Å; N541-V543 PolarHBondContact O-N 3.43Å; N541-V543 VanDerWaalsContact O-N 3.11Å |
| 544 | Q | 79.6 | Confident | 82.8 | Confident | 28 Ų | 28 | 62.3 Ų | 62.3 | 13% | 0.131 | 33% | 0.325 | C | S | . | . | trans | -158.9 | 117.9 | 178.2 | 179.6 | 69.6 | 36.1 | 0 | 0 | 110.1 | P432 F498 D546 I547 | P432-Q544 HydrophobicContact CG-CG 4.46Å; F498-Q544 HydrophobicContact CZ-CB 4.03Å; F498-Q544 HydrophobicContact CZ-CG 4.23Å; Q544-D546 PolarHBondContact NE2-OD2 3.09Å; Q544-D546 PolarHBondContact O-N 2.86Å; Q544-I547 PolarHBondContact O-N 3.22Å | ||
| 545 | N | 76.6 | Confident | 81.8 | Confident | 147 Ų | 147 | 60 Ų | 60 | 79% | 0.786 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -27.5 | -170.8 | -57.5 | 7.5 | 0 | 0 | 0 | 115.4 | I547 | N545-I547 VanDerWaalsContact C-N 3.29Å; N545-I547 PolarHBondContact O-N 2.8Å |
| 546 | D | 72.5 | Confident | 81 | Confident | 76 Ų | 76 | 60.8 Ų | 60.8 | 41% | 0.406 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -8.8 | -177.2 | -43.5 | -78.6 | 0 | 0 | 0 | 113.8 | N430 Q544 | N430-D546 HydrophobicContact CB-CB 4.38Å; N430-D546 PolarHBondContact ND2-O 3.23Å; Q544-D546 PolarHBondContact NE2-OD2 3.09Å; Q544-D546 PolarHBondContact O-N 2.86Å |
| 547 | I | 75.2 | Confident | 80.2 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | trans | -112 | 100.7 | -173.6 | -65.7 | -81.8 | 0 | 0 | 0 | 108.5 | V424 L427 N430 F498 Q544 N545 M549 | V424-I547 HydrophobicContact CG1-CD1 4.42Å; V424-I547 HydrophobicContact CG1-CG2 4.09Å; L427-I547 HydrophobicContact CD1-CD1 4.1Å; N430-I547 HydrophobicContact CB-CD1 4.09Å; F498-I547 HydrophobicContact CD1-CD1 4.31Å; F498-I547 HydrophobicContact CE1-CB 4.48Å; F498-I547 HydrophobicContact CE1-CD1 3.8Å; F498-I547 HydrophobicContact CE1-CG1 3.61Å; F498-I547 HydrophobicContact CE1-CG2 4.48Å; F498-I547 HydrophobicContact CZ-CG1 4.02Å; Q544-I547 PolarHBondContact O-N 3.22Å; N545-I547 VanDerWaalsContact C-N 3.29Å; N545-I547 PolarHBondContact O-N 2.8Å; I547-M549 HydrophobicContact CG2-CE 4.27Å | ||
| 548 | V | 79.5 | Confident | 79.6 | Confident | 79 Ų | 79 | 64.7 Ų | 64.7 | 48% | 0.479 | 37% | 0.368 | S | S | . | . | trans | -109.6 | 114.1 | -178.5 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | N425 | N425-V548 PolarHBondContact N-O 2.98Å; N425-V548 VanDerWaalsContact N-O 3.17Å; N425-V548 PolarHBondContact ND2-O 3.29Å | ||
| 549 | M | 85.7 | Confident | 79.2 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 4% | 0.039 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 139 | 175.4 | -50.9 | -165.5 | -167.6 | 0 | 0 | 111.1 | D423 V424 M499 V502 I523 L537 L540 N541 I547 | D423-M549 CarbonylContact O-C 3.53Å; D423-M549 WeakPolarHBondContact O-CA 3.43Å; V424-M549 HydrophobicContact CG2-CG 4.2Å; M499-M549 HydrophobicContact CE-CE 3.84Å; V502-M549 HydrophobicContact CG1-CE 4.14Å; I523-M549 HydrophobicContact CD1-SD 3.83Å; L537-M549 HydrophobicContact CD1-CB 3.86Å; L540-M549 HydrophobicContact CB-CE 3.89Å; L540-M549 HydrophobicContact CB-SD 3.98Å; L540-M549 HydrophobicContact CD1-SD 4.19Å; L540-M549 HydrophobicContact CD2-CE 4.39Å; N541-M549 WeakPolarHBondContact OD1-CB 3.29Å; N541-M549 WeakPolarHBondContact OD1-CG 3.17Å; N541-M549 PolarHBondContact OD1-N 2.88Å; I547-M549 HydrophobicContact CG2-CE 4.27Å |
| 550 | T | 82.4 | Confident | 78.7 | Confident | 56 Ų | 56 | 57.1 Ų | 57.1 | 34% | 0.344 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 161.8 | 171.9 | 64 | 0 | 0 | 0 | 0 | 110.6 | F422 D423 N425 | F422-T550 WeakPolarHBondContact CA-O 3.47Å; F422-T550 VanDerWaalsContact CB-O 3.31Å; F422-T550 WeakPolarHBondContact CB-O 3.46Å; D423-T550 PolarHBondContact N-O 2.8Å; D423-T550 PolarHBondContact O-N 2.83Å; D423-T550 PolarHBondContact O-OG1 2.73Å; N425-T550 VanDerWaalsContact ND2-CG2 3.34Å; N425-T550 WeakPolarHBondContact ND2-CG2 3.37Å |
| 551 | H | 85.7 | Confident | 78.2 | Confident | 41 Ų | 41 | 57.1 Ų | 57.1 | 19% | 0.19 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 128.9 | -176.6 | 173.9 | -140.1 | 0 | 0 | 0 | 112.8 | H420 F422 Y534 L537 | H420-H551 AromaticContact CG-NE2 3.86Å; H420-H551 AromaticContact ND1-CE1 3.92Å; H420-H551 AromaticContact ND1-NE2 3.27Å; H420-H551 PolarHBondContact ND1-NE2 3.02Å; F422-H551 HydrophobicContact CD1-CB 3.98Å; F422-H551 AromaticContact CD1-CD2 3.7Å; F422-H551 HydrophobicContact CE1-CB 4.13Å; F422-H551 AromaticContact CE1-CD2 3.48Å; F422-H551 VanDerWaalsContact CE1-CD2 3.48Å; F422-H551 WeakPolarHBondContact CE1-CD2 3.09Å; F422-H551 AromaticContact CE1-CG 3.96Å; Y534-H551 AromaticContact CE1-CE1 3.85Å; Y534-H551 AromaticContact CE1-ND1 3.47Å; Y534-H551 WeakPolarHBondContact CE1-ND1 3.22Å; Y534-H551 AromaticContact CZ-CE1 3.75Å; Y534-H551 AromaticContact CZ-ND1 3.77Å; Y534-H551 PolarHBondContact OH-CE1 3.25Å; Y534-H551 PolarHBondContact OH-ND1 2.89Å; L537-H551 HydrophobicContact CD2-CB 3.93Å |
| 552 | E | 80.2 | Confident | 77.7 | Confident | 115 Ų | 115 | 57 Ų | 57 | 54% | 0.537 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 108.1 | 171.1 | -63.7 | -163.2 | 159.7 | 0 | 0 | 110.2 | S421 L559 | S421-E552 PolarHBondContact N-O 2.79Å; S421-E552 PolarHBondContact O-N 3.13Å; S421-E552 PolarHBondContact OG-O 2.96Å; E552-L559 WeakPolarHBondContact O-CD1 3.42Å |
| 553 | P | 79.4 | Confident | 76.8 | Confident | 66 Ų | 66 | 57.9 Ų | 57.9 | 43% | 0.429 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 157 | 175.6 | 31.3 | -34.3 | 0 | 0 | 0 | 113.2 | S555 | P553-S555 PolarHBondContact O-N 2.94Å |
| 554 | E | 77.7 | Confident | 75.7 | Confident | 47 Ų | 47 | 56.8 Ų | 56.8 | 22% | 0.22 | 32% | 0.322 | C | S | . | . | trans | -56.1 | 120.8 | 173.8 | -178.6 | -176.7 | -172.4 | 0 | 0 | 111.8 | L419 G557 R568 | L419-E554 HydrophobicContact CB-CB 4Å; L419-E554 HydrophobicContact CB-CG 4.42Å; L419-E554 VanDerWaalsContact O-CB 3.28Å; L419-E554 WeakPolarHBondContact O-CB 3.39Å; L419-E554 PolarHBondContact O-N 3.32Å; L419-E554 VanDerWaalsContact O-N 3.11Å; E554-G557 VanDerWaalsContact OE1-C 3.22Å; E554-G557 VanDerWaalsContact OE1-CA 3.25Å; E554-G557 WeakPolarHBondContact OE1-CA 3.31Å; E554-R568 IonicContact OE1-CZ 2.7Å; E554-R568 IonicContact OE1-NE 3.46Å; E554-R568 PolarHBondContact OE1-NE 3.18Å; E554-R568 IonicContact OE1-NH2 3.73Å; E554-R568 IonicContact OE2-CZ 3.54Å; E554-R568 IonicContact OE2-NE 3.32Å; E554-R568 IonicContact OE2-NH2 2.58Å; E554-R568 PolarHBondContact OE2-NH2 3.15Å | ||
| 555 | S | 66.4 | Low | 75.4 | Confident | 79 Ų | 79 | 58.1 Ų | 58.1 | 55% | 0.552 | 33% | 0.33 | S | S | * | . | B | Isolated β-bridge | trans | -115.2 | 130.5 | 179.9 | 59.8 | 0 | 0 | 0 | 0 | 111.2 | P553 G557 Q558 | P553-S555 PolarHBondContact O-N 2.94Å; S555-G557 PolarHBondContact O-N 3.23Å; S555-G557 VanDerWaalsContact O-N 3.16Å; S555-Q558 PolarHBondContact N-O 2.78Å; S555-Q558 PolarHBondContact O-N 3.18Å; S555-Q558 VanDerWaalsContact O-O 3.05Å |
| 556 | N | 72.3 | Confident | 75 | Confident | 160 Ų | 160 | 51.5 Ų | 51.5 | 86% | 0.856 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 40.8 | -178.1 | -65.7 | -52.7 | 0 | 0 | 0 | 114.2 | Q558 | N556-Q558 VanDerWaalsContact C-N 3.3Å; N556-Q558 PolarHBondContact O-N 3.42Å |
| 557 | G | 68.9 | Low | 74.6 | Confident | 29 Ų | 29 | 48.1 Ų | 48.1 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 20.5 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | E554 S555 S567 R568 | E554-G557 VanDerWaalsContact OE1-C 3.22Å; E554-G557 VanDerWaalsContact OE1-CA 3.25Å; E554-G557 WeakPolarHBondContact OE1-CA 3.31Å; S555-G557 PolarHBondContact O-N 3.23Å; S555-G557 VanDerWaalsContact O-N 3.16Å; G557-S567 WeakPolarHBondContact O-CA 3.43Å; G557-R568 PolarHBondContact O-N 3.23Å |
| 558 | Q | 75.4 | Confident | 74.2 | Confident | 70 Ų | 70 | 51 Ų | 51 | 33% | 0.327 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 145.2 | -174.1 | -69.1 | 172.5 | 89.5 | 0 | 0 | 111.2 | S555 N556 L565 L566 | S555-Q558 PolarHBondContact N-O 2.78Å; S555-Q558 PolarHBondContact O-N 3.18Å; S555-Q558 VanDerWaalsContact O-O 3.05Å; N556-Q558 VanDerWaalsContact C-N 3.3Å; N556-Q558 PolarHBondContact O-N 3.42Å; Q558-L565 HydrophobicContact CB-CD1 4.14Å; Q558-L566 VanDerWaalsContact CA-O 3.3Å; Q558-L566 WeakPolarHBondContact CA-O 3.35Å |
| 559 | L | 79.1 | Confident | 73.2 | Confident | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 131.2 | 173.8 | -172.5 | 67.1 | 0 | 0 | 0 | 108.6 | L419 S421 L524 E552 L566 | L419-L559 HydrophobicContact CB-CD2 4.15Å; L419-L559 HydrophobicContact CD2-CB 4.49Å; S421-L559 WeakPolarHBondContact OG-CD1 3.26Å; L524-L559 HydrophobicContact CD1-CD2 3.76Å; E552-L559 WeakPolarHBondContact O-CD1 3.42Å; L559-L566 PolarHBondContact N-O 2.68Å; L559-L566 PolarHBondContact O-N 3.45Å |
| 560 | A | 74.3 | Confident | 71.8 | Confident | 55 Ų | 55 | 59.6 Ų | 59.6 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 134.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | I564 | A560-I564 WeakPolarHBondContact CA-O 3.36Å |
| 561 | F | 76.9 | Confident | 70.4 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.009 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 116.8 | 177.9 | -177.9 | -104.8 | 0 | 0 | 0 | 108.3 | D522 I523 L524 I564 L941 L947 | D522-F561 HydrophobicContact CB-CD2 4.38Å; D522-F561 HydrophobicContact CB-CE2 3.6Å; D522-F561 HydrophobicContact CB-CZ 3.93Å; I523-F561 WeakPolarHBondContact O-CE2 3.34Å; L524-F561 HydrophobicContact CB-CD1 4.06Å; L524-F561 HydrophobicContact CB-CD2 3.86Å; L524-F561 HydrophobicContact CB-CE1 3.84Å; L524-F561 HydrophobicContact CB-CE2 3.63Å; L524-F561 HydrophobicContact CB-CG 4.07Å; L524-F561 HydrophobicContact CB-CZ 3.62Å; L524-F561 HydrophobicContact CD1-CG 4.35Å; L524-F561 HydrophobicContact CD2-CD1 4.09Å; L524-F561 HydrophobicContact CD2-CE1 4.33Å; L524-F561 HydrophobicContact CD2-CG 4.46Å; F561-I564 PolarHBondContact N-O 2.77Å; F561-I564 WeakPolarHBondContact O-CA 3.45Å; F561-I564 WeakPolarHBondContact O-CB 3.38Å; F561-I564 PolarHBondContact O-N 2.98Å; F561-L941 HydrophobicContact CE1-CD1 4.29Å; F561-L947 HydrophobicContact CD1-CD2 3.72Å; F561-L947 HydrophobicContact CE1-CD2 3.79Å |
| 562 | L | 74.9 | Confident | 68.7 | Low | 38 Ų | 38 | 58.4 Ų | 58.4 | 20% | 0.199 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | -149.3 | -167.8 | -56.7 | 165.2 | 0 | 0 | 0 | 111.8 | Y519 D522 I564 | Y519-L562 HydrophobicContact CD1-CD1 4.47Å; Y519-L562 HydrophobicContact CD1-CD2 3.28Å; Y519-L562 HydrophobicContact CD1-CG 4.48Å; Y519-L562 HydrophobicContact CE1-CD2 3.94Å; Y519-L562 HydrophobicContact CG-CD1 4.03Å; Y519-L562 HydrophobicContact CG-CD2 3.7Å; D522-L562 HydrophobicContact CB-CD2 3.78Å; D522-L562 HydrophobicContact CB-CG 4.21Å; D522-L562 VanDerWaalsContact CG-CD2 3.47Å; D522-L562 PolarHBondContact OD1-N 3.46Å; D522-L562 VanDerWaalsContact OD2-CD2 3.22Å; D522-L562 WeakPolarHBondContact OD2-CD2 3.47Å; L562-I564 PolarHBondContact O-N 3.05Å |
| 563 | D | 66.3 | Low | 67.5 | Low | 82 Ų | 82 | 53.6 Ų | 53.6 | 44% | 0.439 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 47.6 | 160.2 | -84.3 | 0.6 | 0 | 0 | 0 | 112.2 | P579 S581 | D563-P579 WeakPolarHBondContact O-CD 3.39Å; D563-P579 VanDerWaalsContact O-CG 3.32Å; D563-P579 WeakPolarHBondContact O-CG 3.49Å; D563-S581 WeakPolarHBondContact CB-OG 3.29Å; D563-S581 WeakPolarHBondContact OD2-CB 3.28Å; D563-S581 PolarHBondContact OD2-OG 3.16Å |
| 564 | I | 60.6 | Low | 66.4 | Low | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 141.2 | 165.9 | -68.7 | -179 | 0 | 0 | 0 | 111.6 | A560 F561 L562 L566 T944 L947 I948 | A560-I564 WeakPolarHBondContact CA-O 3.36Å; F561-I564 PolarHBondContact N-O 2.77Å; F561-I564 WeakPolarHBondContact O-CA 3.45Å; F561-I564 WeakPolarHBondContact O-CB 3.38Å; F561-I564 PolarHBondContact O-N 2.98Å; L562-I564 PolarHBondContact O-N 3.05Å; I564-L566 HydrophobicContact CG2-CD2 3.64Å; I564-L566 HydrophobicContact CG2-CG 3.96Å; I564-T944 HydrophobicContact CD1-CG2 3.55Å; I564-T944 HydrophobicContact CG1-CG2 3.44Å; I564-T944 VanDerWaalsContact CG1-CG2 3.44Å; I564-L947 HydrophobicContact CD1-CD2 4.48Å; I564-I948 HydrophobicContact CD1-CD1 3.9Å; I564-I948 HydrophobicContact CD1-CG1 3.93Å |
| 565 | L | 72.4 | Confident | 65.4 | Low | 56 Ų | 56 | 55.1 Ų | 55.1 | 29% | 0.293 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 108.9 | 159 | -177.8 | 64.8 | 0 | 0 | 0 | 108.7 | Q558 R577 | Q558-L565 HydrophobicContact CB-CD1 4.14Å; L565-R577 HydrophobicContact CB-CB 4.12Å; L565-R577 PolarHBondContact N-O 2.79Å; L565-R577 WeakPolarHBondContact O-CA 3.29Å; L565-R577 VanDerWaalsContact O-CB 3.29Å; L565-R577 WeakPolarHBondContact O-CB 3.07Å; L565-R577 PolarHBondContact O-N 2.85Å |
| 566 | L | 68.9 | Low | 64.8 | Low | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 138 | 168 | -60.6 | 176.9 | 0 | 0 | 0 | 107.7 | L419 L524 Q558 L559 I564 I574 R576 | L419-L566 HydrophobicContact CD2-CB 4.16Å; L419-L566 HydrophobicContact CD2-CD1 3.89Å; L524-L566 HydrophobicContact CD1-CD1 3.8Å; L524-L566 HydrophobicContact CD2-CD1 3.9Å; Q558-L566 VanDerWaalsContact CA-O 3.3Å; Q558-L566 WeakPolarHBondContact CA-O 3.35Å; L559-L566 PolarHBondContact N-O 2.68Å; L559-L566 PolarHBondContact O-N 3.45Å; I564-L566 HydrophobicContact CG2-CD2 3.64Å; I564-L566 HydrophobicContact CG2-CG 3.96Å; L566-I574 HydrophobicContact CD2-CG2 4.13Å; L566-R576 HydrophobicContact CD2-CG 4.15Å |
| 567 | S | 65.3 | Low | 63.8 | Low | 5 Ų | 5 | 51.5 Ų | 51.5 | 4% | 0.035 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 126.7 | 176.3 | -48.3 | 0 | 0 | 0 | 0 | 109.5 | G557 R575 R577 | G557-S567 WeakPolarHBondContact O-CA 3.43Å; S567-R575 PolarHBondContact N-O 2.92Å; S567-R575 VanDerWaalsContact N-O 3.13Å; S567-R575 WeakPolarHBondContact O-CA 3.47Å; S567-R575 VanDerWaalsContact O-CB 3.3Å; S567-R575 WeakPolarHBondContact O-CB 3.43Å; S567-R575 PolarHBondContact O-N 3.19Å; S567-R577 PolarHBondContact OG-NH1 2.93Å |
| 568 | R | 65.1 | Low | 62.8 | Low | 65 Ų | 65 | 53.5 Ų | 53.5 | 25% | 0.245 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 153.7 | 170.8 | -162.8 | 173.9 | -68.6 | -101.3 | -0.1 | 110 | I414 K415 K417 E554 G557 | I414-R568 PolarHBondContact O-NH1 2.98Å; K415-R568 PolarHBondContact O-NH1 2.79Å; K417-R568 VanDerWaalsContact O-CZ 3.26Å; K417-R568 PolarHBondContact O-NH1 3.06Å; K417-R568 PolarHBondContact O-NH2 3.04Å; E554-R568 IonicContact OE1-CZ 2.7Å; E554-R568 IonicContact OE1-NE 3.46Å; E554-R568 PolarHBondContact OE1-NE 3.18Å; E554-R568 IonicContact OE1-NH2 3.73Å; E554-R568 IonicContact OE2-CZ 3.54Å; E554-R568 IonicContact OE2-NE 3.32Å; E554-R568 IonicContact OE2-NH2 2.58Å; E554-R568 PolarHBondContact OE2-NH2 3.15Å; G557-R568 PolarHBondContact O-N 3.23Å |
| 569 | R | 59.1 | Low | 61.3 | Low | 93 Ų | 93 | 52.4 Ų | 52.4 | 35% | 0.351 | 26% | 0.257 | S | S | . | . | trans | -115.6 | 159.6 | 168.3 | -65.8 | -169.1 | -142.8 | 151.6 | 10.4 | 110.4 | D571 G572 T573 R575 | R569-D571 WeakPolarHBondContact CB-OD1 3.43Å; R569-D571 IonicContact NH1-OD2 2.7Å; R569-D571 PolarHBondContact O-N 3.31Å; R569-D571 VanDerWaalsContact O-N 3.16Å; R569-G572 WeakPolarHBondContact O-CA 3.44Å; R569-G572 PolarHBondContact O-N 2.92Å; R569-T573 WeakPolarHBondContact CB-O 3.39Å; R569-T573 VanDerWaalsContact CD-OG1 3.32Å; R569-T573 WeakPolarHBondContact CD-OG1 3.38Å; R569-T573 WeakPolarHBondContact CG-O 3.39Å; R569-T573 PolarHBondContact N-O 3.21Å; R569-T573 PolarHBondContact NE-OG1 3.37Å; R569-T573 PolarHBondContact NH1-OG1 3.45Å; R569-R575 HydrophobicContact CG-CB 3.99Å | ||
| 570 | D | 57.1 | Low | 59.5 | Low | 175 Ų | 175 | 57.4 Ų | 57.4 | 94% | 0.936 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -25.1 | 175.1 | -23.6 | -35.5 | 0 | 0 | 0 | 113.2 | G572 | D570-G572 VanDerWaalsContact C-N 3.34Š|
| 571 | D | 51.6 | Low | 57.8 | Low | 69 Ų | 69 | 56 Ų | 56 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -3.3 | 174.4 | 60.6 | 25.7 | 0 | 0 | 0 | 113.9 | N413 R569 T573 | N413-D571 PolarHBondContact ND2-O 2.78Å; R569-D571 WeakPolarHBondContact CB-OD1 3.43Å; R569-D571 IonicContact NH1-OD2 2.7Å; R569-D571 PolarHBondContact O-N 3.31Å; R569-D571 VanDerWaalsContact O-N 3.16Å; D571-T573 WeakPolarHBondContact OD1-CB 3.32Å; D571-T573 WeakPolarHBondContact OD1-CG2 3.31Å; D571-T573 PolarHBondContact OD1-N 2.86Å; D571-T573 PolarHBondContact OD1-OG1 3.3Å |
| 572 | G | 51.2 | Low | 56.2 | Low | 2 Ų | 2 | 56.6 Ų | 56.6 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | S | Bend | trans | 84.3 | -3.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | N413 I414 R569 D570 | N413-G572 VanDerWaalsContact OD1-C 3.24Å; N413-G572 VanDerWaalsContact OD1-CA 3.27Å; N413-G572 WeakPolarHBondContact OD1-CA 3.27Å; N413-G572 PolarHBondContact OD1-O 3.47Å; N413-G572 VanDerWaalsContact OD1-O 3.13Å; I414-G572 WeakPolarHBondContact CG1-O 3.32Å; I414-G572 PolarHBondContact N-O 2.63Å; R569-G572 WeakPolarHBondContact O-CA 3.44Å; R569-G572 PolarHBondContact O-N 2.92Å; D570-G572 VanDerWaalsContact C-N 3.34Å |
| 573 | T | 55.1 | Low | 54.8 | Low | 15 Ų | 15 | 57.3 Ų | 57.3 | 9% | 0.092 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -80.7 | 148.5 | 178.6 | 65 | 0 | 0 | 0 | 0 | 112.7 | D411 R569 D571 R575 | D411-T573 HydrophobicContact CB-CG2 4.49Å; R569-T573 WeakPolarHBondContact CB-O 3.39Å; R569-T573 VanDerWaalsContact CD-OG1 3.32Å; R569-T573 WeakPolarHBondContact CD-OG1 3.38Å; R569-T573 WeakPolarHBondContact CG-O 3.39Å; R569-T573 PolarHBondContact N-O 3.21Å; R569-T573 PolarHBondContact NE-OG1 3.37Å; R569-T573 PolarHBondContact NH1-OG1 3.45Å; D571-T573 WeakPolarHBondContact OD1-CB 3.32Å; D571-T573 WeakPolarHBondContact OD1-CG2 3.31Å; D571-T573 PolarHBondContact OD1-N 2.86Å; D571-T573 PolarHBondContact OD1-OG1 3.3Å; T573-R575 PolarHBondContact O-N 2.83Å |
| 574 | I | 55.3 | Low | 53.9 | Low | 17 Ų | 17 | 60.4 Ų | 60.4 | 9% | 0.087 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 121 | 177.8 | -56.4 | -179.3 | 0 | 0 | 0 | 110.7 | I414 I526 L566 R576 | I414-I574 HydrophobicContact CD1-CD1 3.99Å; I414-I574 HydrophobicContact CD1-CG1 3.56Å; I414-I574 HydrophobicContact CG1-CD1 4.38Å; I414-I574 HydrophobicContact CG1-CG1 3.77Å; I414-I574 HydrophobicContact CG2-CD1 3.96Å; I414-I574 HydrophobicContact CG2-CG1 4.12Å; I526-I574 HydrophobicContact CD1-CD1 4.03Å; L566-I574 HydrophobicContact CD2-CG2 4.13Å; I574-R576 HydrophobicContact CG2-CG 4.34Å; I574-R576 PolarHBondContact O-N 2.79Å |
| 575 | R | 56.6 | Low | 53.5 | Low | 128 Ų | 128 | 64.6 Ų | 64.6 | 48% | 0.483 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 92.4 | 164.7 | -175.4 | -174 | -178.6 | 163.2 | 0.3 | 110.2 | S567 R569 T573 R577 | S567-R575 PolarHBondContact N-O 2.92Å; S567-R575 VanDerWaalsContact N-O 3.13Å; S567-R575 WeakPolarHBondContact O-CA 3.47Å; S567-R575 VanDerWaalsContact O-CB 3.3Å; S567-R575 WeakPolarHBondContact O-CB 3.43Å; S567-R575 PolarHBondContact O-N 3.19Å; R569-R575 HydrophobicContact CG-CB 3.99Å; T573-R575 PolarHBondContact O-N 2.83Å; R575-R577 PolarHBondContact O-N 2.89Å; R575-R577 VanDerWaalsContact O-N 3.12Å |
| 576 | R | 55.1 | Low | 52.5 | Low | 62 Ų | 62 | 63.3 Ų | 63.3 | 23% | 0.234 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 108.1 | 164.3 | -73.9 | 160.1 | -95.8 | 170.7 | -3.4 | 109.9 | L566 I574 I948 L951 | L566-R576 HydrophobicContact CD2-CG 4.15Å; I574-R576 HydrophobicContact CG2-CG 4.34Å; I574-R576 PolarHBondContact O-N 2.79Å; R576-I948 PolarHBondContact NH1-O 3.26Å; R576-L951 VanDerWaalsContact CZ-CB 3.44Å; R576-L951 VanDerWaalsContact NH1-CB 3.34Å; R576-L951 PolarHBondContact NH1-O 2.85Å; R576-L951 PolarHBondContact NH2-O 2.97Å |
| 577 | R | 49.8 | Very low | 51.7 | Low | 100 Ų | 100 | 65.5 Ų | 65.5 | 38% | 0.377 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 93.9 | 165.7 | -75.9 | 177.3 | 165.3 | 124.3 | -18.6 | 109.3 | L565 S567 R575 P579 | L565-R577 HydrophobicContact CB-CB 4.12Å; L565-R577 PolarHBondContact N-O 2.79Å; L565-R577 WeakPolarHBondContact O-CA 3.29Å; L565-R577 VanDerWaalsContact O-CB 3.29Å; L565-R577 WeakPolarHBondContact O-CB 3.07Å; L565-R577 PolarHBondContact O-N 2.85Å; S567-R577 PolarHBondContact OG-NH1 2.93Å; R575-R577 PolarHBondContact O-N 2.89Å; R575-R577 VanDerWaalsContact O-N 3.12Å; R577-P579 VanDerWaalsContact O-CD 3.29Å; R577-P579 WeakPolarHBondContact O-CD 3.25Å |
| 578 | L | 48.8 | Very low | 51.3 | Low | 71 Ų | 71 | 67.2 Ų | 67.2 | 37% | 0.372 | 33% | 0.327 | S | S | . | . | trans | -52.4 | 119.2 | 157.5 | -77.8 | 148.7 | 0 | 0 | 0 | 109.6 | C582 I948 | L578-C582 HydrophobicContact CD2-CB 3.37Å; L578-I948 HydrophobicContact CD1-CD1 4.03Å; L578-I948 HydrophobicContact CD2-CD1 3.55Å; L578-I948 HydrophobicContact CG-CD1 3.84Å | ||
| 579 | P | 43 | Very low | 51 | Low | 48 Ų | 48 | 64.1 Ų | 64.1 | 31% | 0.312 | 32% | 0.315 | S | S | . | . | trans | -72.9 | 177.4 | 173 | -14.3 | 32.3 | 0 | 0 | 0 | 110.8 | D563 R577 S581 C582 | D563-P579 WeakPolarHBondContact O-CD 3.39Å; D563-P579 VanDerWaalsContact O-CG 3.32Å; D563-P579 WeakPolarHBondContact O-CG 3.49Å; R577-P579 VanDerWaalsContact O-CD 3.29Å; R577-P579 WeakPolarHBondContact O-CD 3.25Å; P579-S581 PolarHBondContact O-N 2.73Å; P579-S581 VanDerWaalsContact O-N 3.1Å; P579-C582 PolarHBondContact O-N 3.14Å | ||
| 580 | S | 41.2 | Very low | 51 | Low | 110 Ų | 110 | 59.9 Ų | 59.9 | 77% | 0.769 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -10.6 | -174.5 | 46.7 | 0 | 0 | 0 | 0 | 114.9 | T583 | S580-T583 VanDerWaalsContact C-OG1 3.26Å; S580-T583 WeakPolarHBondContact CA-OG1 3.26Å; S580-T583 WeakPolarHBondContact O-CB 3.31Å; S580-T583 PolarHBondContact O-OG1 2.75Å |
| 581 | S | 39.9 | Very low | 51 | Low | 26 Ų | 26 | 55.8 Ų | 55.8 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -45.2 | 177.3 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | D563 P579 T583 K584 | D563-S581 WeakPolarHBondContact CB-OG 3.29Å; D563-S581 WeakPolarHBondContact OD2-CB 3.28Å; D563-S581 PolarHBondContact OD2-OG 3.16Å; P579-S581 PolarHBondContact O-N 2.73Å; P579-S581 VanDerWaalsContact O-N 3.1Å; S581-T583 PolarHBondContact O-N 3.29Å; S581-T583 VanDerWaalsContact O-N 3.15Å; S581-K584 WeakPolarHBondContact O-CB 3.17Å; S581-K584 WeakPolarHBondContact O-CD 3.49Å; S581-K584 WeakPolarHBondContact O-CG 3.33Å; S581-K584 PolarHBondContact O-N 3.31Å |
| 582 | C | 42.6 | Very low | 51.6 | Low | 13 Ų | 13 | 53.5 Ų | 53.5 | 9% | 0.088 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -13.3 | 178.3 | -79.9 | 0 | 0 | 0 | 0 | 113.2 | L578 P579 K584 R585 F945 | L578-C582 HydrophobicContact CD2-CB 3.37Å; P579-C582 PolarHBondContact O-N 3.14Å; C582-K584 PolarHBondContact O-N 2.77Å; C582-K584 VanDerWaalsContact O-N 3.08Å; C582-R585 PolarHBondContact O-N 3.48Å; C582-F945 HydrophobicContact CB-CE1 4.37Å; C582-F945 HydrophobicContact CB-CZ 3.91Å |
| 583 | T | 45.4 | Very low | 52.3 | Low | 54 Ų | 54 | 53.5 Ų | 53.5 | 33% | 0.331 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -51.1 | -27.8 | 162 | -24.6 | 0 | 0 | 0 | 0 | 111.2 | S580 S581 R585 L586 D587 | S580-T583 VanDerWaalsContact C-OG1 3.26Å; S580-T583 WeakPolarHBondContact CA-OG1 3.26Å; S580-T583 WeakPolarHBondContact O-CB 3.31Å; S580-T583 PolarHBondContact O-OG1 2.75Å; S581-T583 PolarHBondContact O-N 3.29Å; S581-T583 VanDerWaalsContact O-N 3.15Å; T583-R585 PolarHBondContact O-N 3.38Å; T583-L586 CarbonylContact O-C 3.39Å; T583-L586 WeakPolarHBondContact O-CA 2.99Å; T583-L586 WeakPolarHBondContact O-CB 3.42Å; T583-L586 PolarHBondContact O-N 3.16Å; T583-D587 WeakPolarHBondContact O-CB 3.42Å; T583-D587 PolarHBondContact O-N 3.41Å |
| 584 | K | 48.3 | Very low | 52.5 | Low | 147 Ų | 147 | 55 Ų | 55 | 64% | 0.639 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -44 | -53 | 175.6 | -79.4 | 170.3 | -177.2 | 171.5 | 0 | 114.2 | S581 C582 L586 D587 E588 | S581-K584 WeakPolarHBondContact O-CB 3.17Å; S581-K584 WeakPolarHBondContact O-CD 3.49Å; S581-K584 WeakPolarHBondContact O-CG 3.33Å; S581-K584 PolarHBondContact O-N 3.31Å; C582-K584 PolarHBondContact O-N 2.77Å; C582-K584 VanDerWaalsContact O-N 3.08Å; K584-L586 PolarHBondContact O-N 3.11Å; K584-D587 CarbonylContact O-C 3.2Å; K584-D587 PolarHBondContact O-N 3.34Å; K584-E588 WeakPolarHBondContact O-CB 3.44Å; K584-E588 WeakPolarHBondContact O-CG 3.23Å; K584-E588 PolarHBondContact O-N 2.81Å |
| 585 | R | 51.1 | Low | 52.9 | Low | 93 Ų | 93 | 56.9 Ų | 56.9 | 35% | 0.351 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.4 | -24.5 | -178.5 | -74.9 | -166.5 | 171.4 | 146.3 | 3.3 | 112.7 | C582 T583 L589 D943 F945 | C582-R585 PolarHBondContact O-N 3.48Å; T583-R585 PolarHBondContact O-N 3.38Å; R585-L589 PolarHBondContact O-N 3.47Å; R585-D943 IonicContact CZ-OD2 3.39Å; R585-D943 IonicContact NH1-OD1 3.47Å; R585-D943 IonicContact NH1-OD2 2.65Å; R585-D943 PolarHBondContact NH1-OD2 3.18Å; R585-D943 IonicContact NH2-OD2 3.84Å; R585-D943 PolarHBondContact NH2-OD2 2.72Å; R585-F945 HydrophobicContact CB-CZ 4.4Å; R585-F945 HydrophobicContact CG-CE2 4.38Å; R585-F945 HydrophobicContact CG-CZ 4.24Å |
| 586 | L | 52.1 | Low | 53.3 | Low | 29 Ų | 29 | 50.8 Ų | 50.8 | 15% | 0.152 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -85.3 | -46.7 | 176.7 | -60.1 | -175.4 | 0 | 0 | 0 | 111.7 | T583 K584 E588 L589 A590 F675 | T583-L586 CarbonylContact O-C 3.39Å; T583-L586 WeakPolarHBondContact O-CA 2.99Å; T583-L586 WeakPolarHBondContact O-CB 3.42Å; T583-L586 PolarHBondContact O-N 3.16Å; K584-L586 PolarHBondContact O-N 3.11Å; L586-E588 PolarHBondContact O-N 2.92Å; L586-E588 VanDerWaalsContact O-N 3.14Å; L586-L589 CarbonylContact O-C 3.55Å; L586-L589 PolarHBondContact O-N 3.18Å; L586-A590 WeakPolarHBondContact O-CB 3.31Å; L586-A590 PolarHBondContact O-N 3.06Å; L586-F675 HydrophobicContact CB-CD2 3.67Å; L586-F675 HydrophobicContact CB-CE2 3.5Å; L586-F675 HydrophobicContact CB-CG 4.33Å; L586-F675 HydrophobicContact CB-CZ 4.02Å; L586-F675 HydrophobicContact CD1-CB 4.41Å; L586-F675 HydrophobicContact CD1-CD1 4.45Å; L586-F675 HydrophobicContact CD1-CD2 4.17Å; L586-F675 HydrophobicContact CD1-CG 4.06Å; L586-F675 HydrophobicContact CD2-CD1 3.84Å; L586-F675 HydrophobicContact CD2-CD2 4.26Å; L586-F675 HydrophobicContact CD2-CE1 3.63Å; L586-F675 HydrophobicContact CD2-CE2 4.07Å; L586-F675 HydrophobicContact CD2-CG 4.17Å; L586-F675 HydrophobicContact CD2-CZ 3.75Å; L586-F675 HydrophobicContact CG-CD2 4.25Å; L586-F675 HydrophobicContact CG-CE2 4.26Å; L586-F675 HydrophobicContact CG-CG 4.42Å; L586-F675 HydrophobicContact CG-CZ 4.43Å; L586-F675 VanDerWaalsContact O-CE2 3.32Å; L586-F675 WeakPolarHBondContact O-CE2 3.48Å |
| 587 | D | 52.2 | Low | 53.7 | Low | 53 Ų | 53 | 47.9 Ų | 47.9 | 28% | 0.283 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.2 | -11.3 | 162.7 | -82.5 | -27.4 | 0 | 0 | 0 | 112.4 | T583 K584 A590 N591 F678 | T583-D587 WeakPolarHBondContact O-CB 3.42Å; T583-D587 PolarHBondContact O-N 3.41Å; K584-D587 CarbonylContact O-C 3.2Å; K584-D587 PolarHBondContact O-N 3.34Å; D587-A590 VanDerWaalsContact C-C 3.47Å; D587-A590 CarbonylContact O-C 3.24Å; D587-N591 WeakPolarHBondContact O-CA 3.45Å; D587-N591 WeakPolarHBondContact O-CB 3.42Å; D587-N591 VanDerWaalsContact O-CG 3.31Å; D587-N591 PolarHBondContact O-N 3.03Å; D587-N591 PolarHBondContact O-ND2 3.44Å; D587-F678 WeakPolarHBondContact OD1-CE1 3.46Å; D587-F678 WeakPolarHBondContact OD1-CZ 3.32Å |
| 588 | E | 57 | Low | 54.3 | Low | 42 Ų | 42 | 43.3 Ų | 43.3 | 20% | 0.196 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -92.4 | -44.7 | 172.3 | -86 | -177.9 | 154.9 | 0 | 0 | 111.7 | K584 L586 A590 N591 L656 R1659 R1661 L1662 | K584-E588 WeakPolarHBondContact O-CB 3.44Å; K584-E588 WeakPolarHBondContact O-CG 3.23Å; K584-E588 PolarHBondContact O-N 2.81Å; L586-E588 PolarHBondContact O-N 2.92Å; L586-E588 VanDerWaalsContact O-N 3.14Å; E588-A590 PolarHBondContact O-N 3.48Å; E588-N591 PolarHBondContact O-N 3.3Å; E588-L656 HydrophobicContact CB-CD1 4.18Å; E588-R1659 IonicContact OE2-CZ 2.67Å; E588-R1659 IonicContact OE2-NH1 3.52Å; E588-R1659 PolarHBondContact OE2-NH1 3.01Å; E588-R1659 IonicContact OE2-NH2 2.9Å; E588-R1659 PolarHBondContact OE2-NH2 2.83Å; E588-R1659 VanDerWaalsContact OE2-NH2 3.13Å; E588-R1661 HydrophobicContact CB-CG 4.14Å; E588-R1661 CarbonylContact O-C 3.41Å; E588-R1661 WeakPolarHBondContact O-CA 3.42Å; E588-R1661 VanDerWaalsContact O-CB 3.23Å; E588-R1661 WeakPolarHBondContact O-CB 3.25Å; E588-R1661 WeakPolarHBondContact O-CG 3.28Å; E588-R1661 IonicContact OE1-CZ 3.6Å; E588-R1661 IonicContact OE1-NH1 3.45Å; E588-R1661 PolarHBondContact OE1-NH1 3.18Å; E588-R1661 IonicContact OE1-NH2 3.53Å; E588-R1661 PolarHBondContact OE1-NH2 3.22Å; E588-R1661 IonicContact OE2-NH1 2.77Å; E588-R1661 PolarHBondContact OE2-NH1 2.79Å; E588-L1662 PolarHBondContact O-N 2.91Å |
| 589 | L | 59.3 | Low | 55.3 | Low | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60 | -21.6 | 162.5 | -167 | 145.8 | 0 | 0 | 0 | 110.8 | R585 L586 L653 L656 H657 A660 F675 M676 C679 L1662 | R585-L589 PolarHBondContact O-N 3.47Å; L586-L589 CarbonylContact O-C 3.55Å; L586-L589 PolarHBondContact O-N 3.18Å; L589-L653 HydrophobicContact CD2-CD1 4.44Å; L589-L656 HydrophobicContact CB-CD1 4.3Å; L589-L656 HydrophobicContact CB-CD2 3.94Å; L589-L656 HydrophobicContact CD1-CB 4.22Å; L589-L656 HydrophobicContact CD1-CD2 3.98Å; L589-H657 HydrophobicContact CD1-CB 4.34Å; L589-A660 HydrophobicContact CD1-CB 4.32Å; L589-F675 HydrophobicContact CB-CZ 4.08Å; L589-F675 HydrophobicContact CD2-CZ 3.91Å; L589-F675 HydrophobicContact CG-CZ 4.44Å; L589-M676 HydrophobicContact CD2-SD 3.89Å; L589-C679 HydrophobicContact CD2-CB 4.42Å; L589-L1662 CarbonylContact O-C 3.56Å; L589-L1662 VanDerWaalsContact O-C 3.31Å; L589-L1662 VanDerWaalsContact O-CA 3.28Å; L589-L1662 WeakPolarHBondContact O-CA 3.41Å; L589-L1662 PolarHBondContact O-N 3.06Å |
| 590 | A | 57.9 | Low | 56.4 | Low | 3 Ų | 3 | 38.9 Ų | 38.9 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 39.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L586 D587 E588 F678 L1662 P1663 | L586-A590 WeakPolarHBondContact O-CB 3.31Å; L586-A590 PolarHBondContact O-N 3.06Å; D587-A590 VanDerWaalsContact C-C 3.47Å; D587-A590 CarbonylContact O-C 3.24Å; E588-A590 PolarHBondContact O-N 3.48Å; A590-F678 HydrophobicContact CB-CD1 4.2Å; A590-F678 HydrophobicContact CB-CE1 3.62Å; A590-F678 HydrophobicContact CB-CZ 4.46Å; A590-L1662 CarbonylContact C-O 3.13Å; A590-L1662 WeakPolarHBondContact CA-O 3.32Å; A590-P1663 WeakPolarHBondContact O-CA 3.48Å; A590-P1663 WeakPolarHBondContact O-CB 3.43Å |
| 591 | N | 56.9 | Low | 57.5 | Low | 89 Ų | 89 | 34 Ų | 34 | 48% | 0.476 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -137.2 | -9.6 | 167.2 | -103 | -48.9 | 0 | 0 | 0 | 127.6 | D587 E588 P1663 | D587-N591 WeakPolarHBondContact O-CA 3.45Å; D587-N591 WeakPolarHBondContact O-CB 3.42Å; D587-N591 VanDerWaalsContact O-CG 3.31Å; D587-N591 PolarHBondContact O-N 3.03Å; D587-N591 PolarHBondContact O-ND2 3.44Å; E588-N591 PolarHBondContact O-N 3.3Å; N591-P1663 VanDerWaalsContact C-CG 3.4Å; N591-P1663 VanDerWaalsContact CA-CG 3.48Å; N591-P1663 VanDerWaalsContact CA-N 3.31Å; N591-P1663 HydrophobicContact CB-CB 4.49Å; N591-P1663 HydrophobicContact CB-CG 4.44Å; N591-P1663 VanDerWaalsContact O-CD 3.31Å; N591-P1663 WeakPolarHBondContact O-CD 3.31Å; N591-P1663 VanDerWaalsContact O-CG 3.24Å; N591-P1663 WeakPolarHBondContact O-CG 3.48Å; N591-P1663 WeakPolarHBondContact OD1-CB 3.32Å; N591-P1663 WeakPolarHBondContact OD1-CG 3.38Å |
| 592 | L | 64.3 | Low | 58.8 | Low | 22 Ų | 22 | 33.8 Ų | 33.8 | 12% | 0.115 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -123.5 | 35.6 | 165.9 | 119.6 | -169 | 0 | 0 | 0 | 121.5 | K595 K652 I1648 L1649 R1661 L1662 P1663 | L592-K595 HydrophobicContact CB-CD 3.44Å; L592-K595 VanDerWaalsContact CB-CD 3.44Å; L592-K595 HydrophobicContact CG-CD 3.87Å; L592-K595 VanDerWaalsContact O-CB 3.24Å; L592-K595 WeakPolarHBondContact O-CB 3.01Å; L592-K595 VanDerWaalsContact O-CD 3.31Å; L592-K595 WeakPolarHBondContact O-CD 3.2Å; L592-K652 HydrophobicContact CD2-CB 4.29Å; L592-K652 HydrophobicContact CD2-CD 3.33Å; L592-K652 HydrophobicContact CD2-CG 4.3Å; L592-I1648 VanDerWaalsContact CD1-O 3.26Å; L592-I1648 WeakPolarHBondContact CD1-O 3.43Å; L592-I1648 HydrophobicContact CD2-CB 4.04Å; L592-I1648 HydrophobicContact CD2-CG2 3.72Å; L592-L1649 HydrophobicContact CD1-CB 4.2Å; L592-L1649 HydrophobicContact CD1-CD2 4.41Å; L592-R1661 WeakPolarHBondContact CA-O 3.45Å; L592-R1661 HydrophobicContact CD2-CG 4.15Å; L592-R1661 WeakPolarHBondContact CD2-O 3.4Å; L592-R1661 PolarHBondContact N-O 2.94Å; L592-L1662 HydrophobicContact CD2-CD2 4.23Å; L592-L1662 WeakPolarHBondContact O-CD2 3.4Å; L592-P1663 VanDerWaalsContact N-CD 3.26Å |
| 593 | K | 65.4 | Low | 59.9 | Low | 1 Ų | 1 | 33.6 Ų | 33.6 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | trans | -96.4 | 36.5 | 149.4 | 84.6 | -162.2 | 136 | -175.5 | 0 | 114.9 | K595 I596 V683 L1662 P1663 S1664 S1665 | K593-K595 VanDerWaalsContact C-CA 3.49Å; K593-K595 CarbonylContact C-O 3.46Å; K593-K595 VanDerWaalsContact C-O 3.32Å; K593-K595 CarbonylContact O-C 3.59Å; K593-I596 HydrophobicContact CB-CB 3.68Å; K593-I596 HydrophobicContact CB-CD1 3.29Å; K593-I596 HydrophobicContact CB-CG1 3.16Å; K593-I596 HydrophobicContact CD-CD1 3.56Å; K593-I596 HydrophobicContact CD-CG1 4.44Å; K593-I596 HydrophobicContact CG-CD1 3.9Å; K593-I596 HydrophobicContact CG-CG1 4.23Å; K593-V683 HydrophobicContact CB-CG1 4.43Å; K593-V683 HydrophobicContact CD-CG1 3.33Å; K593-V683 HydrophobicContact CD-CG2 4.35Å; K593-V683 HydrophobicContact CG-CG1 3.07Å; K593-L1662 HydrophobicContact CB-CB 3.43Å; K593-L1662 VanDerWaalsContact CB-CB 3.43Å; K593-L1662 HydrophobicContact CB-CD1 4.09Å; K593-L1662 HydrophobicContact CB-CD2 3.69Å; K593-L1662 HydrophobicContact CB-CG 3.81Å; K593-L1662 HydrophobicContact CD-CB 3.52Å; K593-L1662 HydrophobicContact CD-CD1 3.98Å; K593-L1662 HydrophobicContact CD-CG 4.29Å; K593-L1662 WeakPolarHBondContact CE-O 3.22Å; K593-L1662 HydrophobicContact CG-CB 3.5Å; K593-L1662 VanDerWaalsContact CG-CB 3.5Å; K593-L1662 HydrophobicContact CG-CD1 4.49Å; K593-L1662 HydrophobicContact CG-CG 4.35Å; K593-P1663 VanDerWaalsContact CA-CD 3.41Å; K593-S1664 PolarHBondContact O-N 2.64Å; K593-S1665 WeakPolarHBondContact O-CB 3.4Å; K593-S1665 PolarHBondContact O-N 3.21Å | ||
| 594 | C | 60.4 | Low | 60.5 | Low | 46 Ų | 46 | 35.1 Ų | 35.1 | 31% | 0.311 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -77.1 | -36.7 | 175.3 | -169 | 0 | 0 | 0 | 0 | 114.9 | T686 P1663 S1664 S1665 | C594-T686 WeakPolarHBondContact O-CB 3.5Å; C594-T686 PolarHBondContact O-OG1 2.61Å; C594-P1663 HydrophobicContact CB-CG 3.67Å; C594-S1664 PolarHBondContact SG-OG 3.28Å; C594-S1665 PolarHBondContact O-OG 2.91Å |
| 595 | K | 62.7 | Low | 61.4 | Low | 58 Ų | 58 | 29.6 Ų | 29.6 | 25% | 0.252 | 14% | 0.144 | S | C | . | . | S | Bend | cis | 58.5 | -175.7 | 45.5 | -33.5 | 162.4 | 140.2 | -105.5 | 0 | 111 | L592 K593 A597 S598 M649 D1647 S1665 | L592-K595 HydrophobicContact CB-CD 3.44Å; L592-K595 VanDerWaalsContact CB-CD 3.44Å; L592-K595 HydrophobicContact CG-CD 3.87Å; L592-K595 VanDerWaalsContact O-CB 3.24Å; L592-K595 WeakPolarHBondContact O-CB 3.01Å; L592-K595 VanDerWaalsContact O-CD 3.31Å; L592-K595 WeakPolarHBondContact O-CD 3.2Å; K593-K595 VanDerWaalsContact C-CA 3.49Å; K593-K595 CarbonylContact C-O 3.46Å; K593-K595 VanDerWaalsContact C-O 3.32Å; K593-K595 CarbonylContact O-C 3.59Å; K595-A597 PolarHBondContact O-N 3.48Å; K595-S598 PolarHBondContact O-N 2.84Å; K595-M649 VanDerWaalsContact C-SD 3.53Å; K595-M649 VanDerWaalsContact CA-SD 3.5Å; K595-M649 HydrophobicContact CB-SD 3.48Å; K595-M649 WeakPolarHBondContact CB-SD 3.24Å; K595-D1647 WeakPolarHBondContact CA-OD1 3.47Å; K595-D1647 HydrophobicContact CB-CB 4.07Å; K595-D1647 VanDerWaalsContact CB-OD1 3.25Å; K595-D1647 WeakPolarHBondContact CB-OD1 3.48Å; K595-D1647 HydrophobicContact CD-CB 4.07Å; K595-D1647 WeakPolarHBondContact CD-O 3.36Å; K595-D1647 HydrophobicContact CG-CB 3.77Å; K595-D1647 WeakPolarHBondContact CG-OD1 3.4Å; K595-D1647 VanDerWaalsContact NZ-CB 3.27Å; K595-D1647 PolarHBondContact NZ-O 3.34Å; K595-S1665 WeakPolarHBondContact O-CB 3.47Å; K595-S1665 PolarHBondContact O-OG 3.4Å |
| 596 | I | 64.8 | Low | 62.1 | Low | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 21.8 | -95.1 | -154.3 | -59.3 | -178 | 0 | 0 | 0 | 112.8 | K593 S598 E599 K600 C646 M649 L650 T1486 F1487 L1662 | K593-I596 HydrophobicContact CB-CB 3.68Å; K593-I596 HydrophobicContact CB-CD1 3.29Å; K593-I596 HydrophobicContact CB-CG1 3.16Å; K593-I596 HydrophobicContact CD-CD1 3.56Å; K593-I596 HydrophobicContact CD-CG1 4.44Å; K593-I596 HydrophobicContact CG-CD1 3.9Å; K593-I596 HydrophobicContact CG-CG1 4.23Å; I596-S598 VanDerWaalsContact C-N 3.28Å; I596-S598 PolarHBondContact O-N 3.03Å; I596-E599 PolarHBondContact O-N 3.27Å; I596-K600 PolarHBondContact O-N 3.42Å; I596-C646 PolarHBondContact O-SG 3.15Å; I596-C646 VanDerWaalsContact O-SG 3.39Å; I596-M649 VanDerWaalsContact CA-SD 3.6Å; I596-M649 HydrophobicContact CG1-CB 3.86Å; I596-M649 WeakPolarHBondContact CG1-O 3.02Å; I596-M649 PolarHBondContact N-SD 2.94Å; I596-L650 HydrophobicContact CD1-CD1 3.27Å; I596-L650 HydrophobicContact CG1-CD1 4.19Å; I596-T1486 HydrophobicContact CB-CG2 3.84Å; I596-T1486 HydrophobicContact CD1-CG2 3.95Å; I596-T1486 HydrophobicContact CG1-CG2 3.38Å; I596-T1486 HydrophobicContact CG2-CG2 3.61Å; I596-T1486 WeakPolarHBondContact CG2-OG1 3.49Å; I596-F1487 HydrophobicContact CD1-CZ 4.11Å; I596-F1487 HydrophobicContact CG2-CD2 4.05Å; I596-F1487 HydrophobicContact CG2-CE2 3.32Å; I596-F1487 HydrophobicContact CG2-CZ 3.84Å; I596-L1662 HydrophobicContact CD1-CD1 3.69Å; I596-L1662 HydrophobicContact CD1-CD2 4.41Å; I596-L1662 HydrophobicContact CG1-CD1 4.47Å; I596-L1662 HydrophobicContact CG1-CD2 4.35Å |
| 597 | A | 63.8 | Low | 62.6 | Low | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -83.7 | -10.2 | -156 | 0 | 0 | 0 | 0 | 0 | 111.8 | K595 E599 K600 V601 N687 C1666 | K595-A597 PolarHBondContact O-N 3.48Å; A597-E599 PolarHBondContact O-N 2.93Å; A597-K600 HydrophobicContact CB-CB 4.1Å; A597-K600 CarbonylContact O-C 2.84Å; A597-K600 PolarHBondContact O-N 3.14Å; A597-V601 WeakPolarHBondContact O-CB 3.36Å; A597-V601 WeakPolarHBondContact O-CG2 3.35Å; A597-V601 PolarHBondContact O-N 2.82Å; A597-N687 VanDerWaalsContact CA-OD1 3.29Å; A597-N687 WeakPolarHBondContact CA-OD1 3.46Å; A597-N687 WeakPolarHBondContact CB-OD1 3.5Å; A597-N687 PolarHBondContact O-OD1 2.92Å; A597-C1666 VanDerWaalsContact CB-SG 3.53Å |
| 598 | S | 62.9 | Low | 62.6 | Low | 4 Ų | 4 | 29.5 Ų | 29.5 | 3% | 0.028 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -48.4 | -50.4 | 160.7 | 172.2 | 0 | 0 | 0 | 0 | 109.9 | K595 I596 V601 K602 T690 S1665 | K595-S598 PolarHBondContact O-N 2.84Å; I596-S598 VanDerWaalsContact C-N 3.28Å; I596-S598 PolarHBondContact O-N 3.03Å; S598-V601 WeakPolarHBondContact O-CB 3.2Å; S598-V601 PolarHBondContact O-N 3.41Å; S598-K602 PolarHBondContact O-N 3Å; S598-T690 WeakPolarHBondContact O-CG2 3.06Å; S598-T690 PolarHBondContact OG-OG1 3.42Å; S598-S1665 WeakPolarHBondContact CA-OG 3.42Å; S598-S1665 VanDerWaalsContact CB-OG 3.31Å; S598-S1665 WeakPolarHBondContact CB-OG 3.35Å; S598-S1665 VanDerWaalsContact N-CB 3.3Å; S598-S1665 PolarHBondContact N-OG 2.99Å |
| 599 | E | 69.6 | Low | 62.6 | Low | 6 Ų | 6 | 27.8 Ų | 27.8 | 3% | 0.028 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -78.5 | -35.5 | -178.4 | -53 | -51.6 | 102.9 | 0 | 0 | 110.9 | I596 A597 V601 K602 L603 H642 K645 C646 M649 | I596-E599 PolarHBondContact O-N 3.27Å; A597-E599 PolarHBondContact O-N 2.93Å; E599-V601 PolarHBondContact O-N 2.98Å; E599-K602 VanDerWaalsContact CD-NZ 3.29Å; E599-K602 PolarHBondContact O-N 2.69Å; E599-K602 WeakPolarHBondContact OE1-CE 3.28Å; E599-K602 IonicContact OE1-NZ 3.33Å; E599-K602 PolarHBondContact OE1-NZ 2.98Å; E599-K602 VanDerWaalsContact OE2-CD 3.24Å; E599-K602 WeakPolarHBondContact OE2-CD 3.26Å; E599-K602 VanDerWaalsContact OE2-CE 3.3Å; E599-K602 WeakPolarHBondContact OE2-CE 2.88Å; E599-K602 IonicContact OE2-NZ 2.71Å; E599-K602 PolarHBondContact OE2-NZ 2.68Å; E599-L603 VanDerWaalsContact O-CB 3.25Å; E599-L603 WeakPolarHBondContact O-CB 3.48Å; E599-L603 PolarHBondContact O-N 3.46Å; E599-H642 IonicContact OE2-CE1 3.51Å; E599-H642 PolarHBondContact OE2-CE1 3.37Å; E599-H642 IonicContact OE2-ND1 2.67Å; E599-H642 PolarHBondContact OE2-ND1 3.16Å; E599-K645 VanDerWaalsContact CB-O 3.26Å; E599-K645 WeakPolarHBondContact CB-O 3.34Å; E599-K645 WeakPolarHBondContact CG-O 3.12Å; E599-C646 HydrophobicContact CB-CB 3.99Å; E599-M649 HydrophobicContact CB-CE 3.75Å; E599-M649 HydrophobicContact CG-CE 3.23Å |
| 600 | K | 66 | Low | 62.5 | Low | 21 Ų | 21 | 27.8 Ų | 27.8 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.9 | -21.5 | 168.4 | -158 | 169.9 | -178.8 | 154.8 | 0 | 112.8 | I596 A597 L603 C646 D1485 F1487 | I596-K600 PolarHBondContact O-N 3.42Å; A597-K600 HydrophobicContact CB-CB 4.1Å; A597-K600 CarbonylContact O-C 2.84Å; A597-K600 PolarHBondContact O-N 3.14Å; K600-L603 HydrophobicContact CG-CD2 4.44Å; K600-C646 PolarHBondContact N-SG 3.36Å; K600-C646 VanDerWaalsContact N-SG 3.37Å; K600-D1485 HydrophobicContact CD-CB 4.45Å; K600-D1485 VanDerWaalsContact CD-OD1 3.26Å; K600-D1485 WeakPolarHBondContact CD-OD1 3.49Å; K600-D1485 WeakPolarHBondContact CE-OD1 3.46Å; K600-D1485 WeakPolarHBondContact CE-OD2 3.1Å; K600-D1485 IonicContact NZ-OD1 3.01Å; K600-D1485 PolarHBondContact NZ-OD1 3.23Å; K600-D1485 IonicContact NZ-OD2 3.21Å; K600-D1485 PolarHBondContact NZ-OD2 3.3Å; K600-F1487 HydrophobicContact CD-CD2 4.06Å; K600-F1487 HydrophobicContact CD-CE2 4.44Å |
| 601 | V | 65 | Low | 62.1 | Low | 6 Ų | 6 | 29.1 Ų | 29.1 | 4% | 0.036 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -91 | -36.4 | 171.6 | 165.2 | 0 | 0 | 0 | 0 | 113.4 | A597 S598 E599 L603 E604 F605 N687 K691 | A597-V601 WeakPolarHBondContact O-CB 3.36Å; A597-V601 WeakPolarHBondContact O-CG2 3.35Å; A597-V601 PolarHBondContact O-N 2.82Å; S598-V601 WeakPolarHBondContact O-CB 3.2Å; S598-V601 PolarHBondContact O-N 3.41Å; E599-V601 PolarHBondContact O-N 2.98Å; V601-L603 VanDerWaalsContact C-N 3.34Å; V601-E604 PolarHBondContact O-N 3.5Å; V601-E604 VanDerWaalsContact O-N 3.14Å; V601-F605 PolarHBondContact O-N 3.14Å; V601-N687 WeakPolarHBondContact CG1-O 3.46Å; V601-N687 HydrophobicContact CG2-CB 3.78Å; V601-K691 HydrophobicContact CG1-CB 3.55Å; V601-K691 HydrophobicContact CG1-CD 3.71Å; V601-K691 HydrophobicContact CG1-CG 3.52Å |
| 602 | K | 66.3 | Low | 61.9 | Low | 22 Ų | 22 | 27.7 Ų | 27.7 | 10% | 0.096 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.5 | -48.1 | 170.2 | -68.9 | -169.2 | -165.6 | 158.8 | 0 | 110.4 | S598 E599 E604 F605 Y606 H642 T690 L694 D1361 | S598-K602 PolarHBondContact O-N 3Å; E599-K602 VanDerWaalsContact CD-NZ 3.29Å; E599-K602 PolarHBondContact O-N 2.69Å; E599-K602 WeakPolarHBondContact OE1-CE 3.28Å; E599-K602 IonicContact OE1-NZ 3.33Å; E599-K602 PolarHBondContact OE1-NZ 2.98Å; E599-K602 VanDerWaalsContact OE2-CD 3.24Å; E599-K602 WeakPolarHBondContact OE2-CD 3.26Å; E599-K602 VanDerWaalsContact OE2-CE 3.3Å; E599-K602 WeakPolarHBondContact OE2-CE 2.88Å; E599-K602 IonicContact OE2-NZ 2.71Å; E599-K602 PolarHBondContact OE2-NZ 2.68Å; K602-E604 PolarHBondContact O-N 2.77Å; K602-F605 PolarHBondContact O-N 3.12Å; K602-Y606 HydrophobicContact CB-CD2 4.35Å; K602-Y606 HydrophobicContact CB-CE2 3.88Å; K602-Y606 WeakPolarHBondContact O-CD2 2.95Å; K602-Y606 PolarHBondContact O-N 2.69Å; K602-H642 HydrophobicContact CB-CB 4.2Å; K602-H642 WeakPolarHBondContact CD-CE1 3.36Å; K602-T690 HydrophobicContact CG-CG2 3.66Å; K602-L694 HydrophobicContact CB-CD1 4.39Å; K602-L694 HydrophobicContact CG-CD1 4.08Å; K602-D1361 PolarHBondContact NZ-O 3.05Å |
| 603 | L | 66.4 | Low | 61.1 | Low | 10 Ų | 10 | 27.6 Ų | 27.6 | 5% | 0.052 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -41.6 | -51.1 | 166.3 | 173.4 | 59.7 | 0 | 0 | 0 | 112.3 | E599 K600 V601 K607 A639 H642 K643 | E599-L603 VanDerWaalsContact O-CB 3.25Å; E599-L603 WeakPolarHBondContact O-CB 3.48Å; E599-L603 PolarHBondContact O-N 3.46Å; K600-L603 HydrophobicContact CG-CD2 4.44Å; V601-L603 VanDerWaalsContact C-N 3.34Å; L603-K607 HydrophobicContact CD1-CD 3.92Å; L603-K607 HydrophobicContact CD1-CG 4.27Å; L603-K607 HydrophobicContact CG-CD 4.12Å; L603-K607 WeakPolarHBondContact O-CB 3.36Å; L603-K607 VanDerWaalsContact O-CG 3.3Å; L603-K607 WeakPolarHBondContact O-CG 3.45Å; L603-K607 PolarHBondContact O-N 3.19Å; L603-A639 HydrophobicContact CD1-CB 4.33Å; L603-A639 WeakPolarHBondContact CD1-O 3.31Å; L603-H642 HydrophobicContact CB-CB 4Å; L603-H642 WeakPolarHBondContact CB-O 3.34Å; L603-K643 HydrophobicContact CD1-CB 3.82Å |
| 604 | E | 58.6 | Low | 60.2 | Low | 85 Ų | 85 | 31.9 Ų | 31.9 | 40% | 0.397 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -74.5 | -35.4 | -175.2 | -160.1 | -179.7 | -158.9 | 0 | 0 | 113 | V601 K602 K607 T608 K691 | V601-E604 PolarHBondContact O-N 3.5Å; V601-E604 VanDerWaalsContact O-N 3.14Å; K602-E604 PolarHBondContact O-N 2.77Å; E604-K607 CarbonylContact O-C 3.13Å; E604-K607 PolarHBondContact O-N 3.48Å; E604-T608 PolarHBondContact O-N 3.11Å; E604-T608 PolarHBondContact O-OG1 3.32Å; E604-K691 VanDerWaalsContact CD-NZ 3.34Å; E604-K691 IonicContact OE1-NZ 3.5Å; E604-K691 IonicContact OE2-NZ 3.51Å; E604-K691 PolarHBondContact OE2-NZ 3.43Å |
| 605 | F | 65.8 | Low | 59.9 | Low | 31 Ų | 31 | 31.8 Ų | 31.8 | 14% | 0.136 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66 | -44.6 | 173.6 | 171 | -95.1 | 0 | 0 | 0 | 111.2 | V601 K602 T608 C609 P616 H618 L619 L694 | V601-F605 PolarHBondContact O-N 3.14Å; K602-F605 PolarHBondContact O-N 3.12Å; F605-T608 CarbonylContact O-C 3.28Å; F605-T608 WeakPolarHBondContact O-CA 3.27Å; F605-T608 WeakPolarHBondContact O-CB 3.22Å; F605-T608 PolarHBondContact O-N 3.11Å; F605-C609 VanDerWaalsContact CE1-SG 3.59Å; F605-C609 WeakPolarHBondContact CZ-SG 3.4Å; F605-C609 PolarHBondContact O-N 3.35Å; F605-C609 PolarHBondContact O-SG 2.96Å; F605-C609 VanDerWaalsContact O-SG 3.39Å; F605-P616 HydrophobicContact CE1-CG 4.03Å; F605-P616 HydrophobicContact CZ-CB 4.33Å; F605-P616 HydrophobicContact CZ-CG 3.63Å; F605-H618 AromaticContact CE1-CE1 3.47Å; F605-H618 VanDerWaalsContact CE1-CE1 3.47Å; F605-H618 WeakPolarHBondContact CE1-CE1 3.23Å; F605-H618 AromaticContact CE1-NE2 3.75Å; F605-H618 AromaticContact CZ-CE1 3.74Å; F605-L619 HydrophobicContact CE1-CD2 4.12Å; F605-L694 HydrophobicContact CB-CD1 3.41Å; F605-L694 VanDerWaalsContact CB-CD1 3.41Å; F605-L694 HydrophobicContact CD1-CB 3.74Å; F605-L694 HydrophobicContact CD1-CD1 3.6Å; F605-L694 HydrophobicContact CD1-CD2 4.14Å; F605-L694 HydrophobicContact CD1-CG 4.01Å; F605-L694 HydrophobicContact CD2-CB 3.79Å; F605-L694 HydrophobicContact CD2-CD1 4.22Å; F605-L694 HydrophobicContact CE1-CB 3.76Å; F605-L694 HydrophobicContact CE1-CD1 4.43Å; F605-L694 HydrophobicContact CE1-CD2 4.33Å; F605-L694 HydrophobicContact CE1-CG 4.38Å; F605-L694 HydrophobicContact CE2-CB 3.79Å; F605-L694 HydrophobicContact CG-CB 3.77Å; F605-L694 HydrophobicContact CG-CD1 3.47Å; F605-L694 VanDerWaalsContact CG-CD1 3.47Å; F605-L694 HydrophobicContact CG-CG 4.15Å; F605-L694 HydrophobicContact CZ-CB 3.77Å |
| 606 | Y | 67.1 | Low | 59.4 | Low | 5 Ų | 5 | 29.6 Ų | 29.6 | 2% | 0.02 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.8 | -47.4 | 172.6 | -55.7 | -47.5 | 0 | 0 | 0 | 109.5 | K602 T608 C609 I610 H618 L619 L635 L638 H642 L694 | K602-Y606 HydrophobicContact CB-CD2 4.35Å; K602-Y606 HydrophobicContact CB-CE2 3.88Å; K602-Y606 WeakPolarHBondContact O-CD2 2.95Å; K602-Y606 PolarHBondContact O-N 2.69Å; Y606-T608 CarbonylContact O-C 3.36Å; Y606-T608 PolarHBondContact O-N 3.34Å; Y606-C609 PolarHBondContact O-N 3.2Å; Y606-I610 VanDerWaalsContact C-CD1 3.46Å; Y606-I610 WeakPolarHBondContact O-CD1 3.2Å; Y606-I610 PolarHBondContact O-N 2.89Å; Y606-H618 AromaticContact CE1-NE2 3.61Å; Y606-H618 AromaticContact CZ-NE2 3.95Å; Y606-H618 PolarHBondContact OH-NE2 3.32Å; Y606-L619 HydrophobicContact CD1-CD1 3.93Å; Y606-L619 HydrophobicContact CD1-CD2 3.75Å; Y606-L619 HydrophobicContact CE1-CD1 3.45Å; Y606-L619 VanDerWaalsContact CE1-CD1 3.45Å; Y606-L619 HydrophobicContact CE1-CD2 3.69Å; Y606-L619 HydrophobicContact CE1-CG 4.2Å; Y606-L635 HydrophobicContact CD1-CD2 3.53Å; Y606-L635 HydrophobicContact CG-CD2 3.89Å; Y606-L638 HydrophobicContact CD1-CD2 3.67Å; Y606-L638 HydrophobicContact CD1-CG 4.36Å; Y606-L638 HydrophobicContact CD2-CB 4.13Å; Y606-L638 HydrophobicContact CD2-CD2 3.72Å; Y606-L638 HydrophobicContact CD2-CG 3.57Å; Y606-L638 HydrophobicContact CE1-CD2 3.32Å; Y606-L638 HydrophobicContact CE1-CG 4.26Å; Y606-L638 HydrophobicContact CE2-CB 4.47Å; Y606-L638 HydrophobicContact CE2-CD1 4.37Å; Y606-L638 HydrophobicContact CE2-CD2 3.39Å; Y606-L638 HydrophobicContact CE2-CG 3.46Å; Y606-L638 VanDerWaalsContact CE2-CG 3.46Å; Y606-L638 HydrophobicContact CG-CB 4.24Å; Y606-L638 HydrophobicContact CG-CD2 3.86Å; Y606-L638 HydrophobicContact CG-CG 4.04Å; Y606-H642 AromaticContact CD2-CD2 3.56Å; Y606-H642 AromaticContact CE2-CD2 3.3Å; Y606-H642 WeakPolarHBondContact CE2-CD2 2.98Å; Y606-H642 AromaticContact CE2-NE2 3.55Å; Y606-L694 HydrophobicContact CE1-CD2 4.42Å; Y606-L694 WeakPolarHBondContact OH-CD2 3.43Å |
| 607 | K | 62.1 | Low | 58.8 | Low | 101 Ų | 101 | 33 Ų | 33 | 44% | 0.439 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -56.4 | 0.5 | 164.6 | -76.9 | 178.8 | 172.9 | 175.8 | 0 | 115.1 | L603 E604 L636 A639 K1465 | L603-K607 HydrophobicContact CD1-CD 3.92Å; L603-K607 HydrophobicContact CD1-CG 4.27Å; L603-K607 HydrophobicContact CG-CD 4.12Å; L603-K607 WeakPolarHBondContact O-CB 3.36Å; L603-K607 VanDerWaalsContact O-CG 3.3Å; L603-K607 WeakPolarHBondContact O-CG 3.45Å; L603-K607 PolarHBondContact O-N 3.19Å; E604-K607 CarbonylContact O-C 3.13Å; E604-K607 PolarHBondContact O-N 3.48Å; K607-L636 HydrophobicContact CB-CD2 4.21Å; K607-L636 HydrophobicContact CG-CD2 3.68Å; K607-A639 HydrophobicContact CG-CB 4.24Å; K607-K1465 WeakPolarHBondContact O-CE 3.17Å; K607-K1465 PolarHBondContact O-NZ 3.37Å |
| 608 | T | 51.3 | Low | 58.4 | Low | 68 Ų | 68 | 33.3 Ų | 33.3 | 42% | 0.417 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -99.3 | -59.8 | 161.5 | -51.1 | 0 | 0 | 0 | 0 | 109.8 | E604 F605 Y606 I610 S611 T612 K1465 | E604-T608 PolarHBondContact O-N 3.11Å; E604-T608 PolarHBondContact O-OG1 3.32Å; F605-T608 CarbonylContact O-C 3.28Å; F605-T608 WeakPolarHBondContact O-CA 3.27Å; F605-T608 WeakPolarHBondContact O-CB 3.22Å; F605-T608 PolarHBondContact O-N 3.11Å; Y606-T608 CarbonylContact O-C 3.36Å; Y606-T608 PolarHBondContact O-N 3.34Å; T608-I610 VanDerWaalsContact C-N 3.29Å; T608-I610 PolarHBondContact O-N 3.14Å; T608-S611 CarbonylContact O-C 3.59Å; T608-T612 HydrophobicContact CG2-CG2 4.25Å; T608-T612 PolarHBondContact O-N 3.04Å; T608-T612 PolarHBondContact O-OG1 2.85Å; T608-K1465 PolarHBondContact O-NZ 3.02Å |
| 609 | C | 58.3 | Low | 57.8 | Low | 6 Ų | 6 | 33.1 Ų | 33.1 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.2 | -25.1 | -170.2 | -63.9 | 0 | 0 | 0 | 0 | 116.7 | F605 Y606 T612 I614 L635 H1461 | F605-C609 VanDerWaalsContact CE1-SG 3.59Å; F605-C609 WeakPolarHBondContact CZ-SG 3.4Å; F605-C609 PolarHBondContact O-N 3.35Å; F605-C609 PolarHBondContact O-SG 2.96Å; F605-C609 VanDerWaalsContact O-SG 3.39Å; Y606-C609 PolarHBondContact O-N 3.2Å; C609-T612 PolarHBondContact O-OG1 2.97Å; C609-I614 PolarHBondContact O-N 3.27Å; C609-L635 HydrophobicContact CB-CD1 3.41Å; C609-L635 VanDerWaalsContact CB-CD1 3.41Å; C609-L635 HydrophobicContact CB-CD2 4.4Å; C609-H1461 PolarHBondContact O-CE1 3.44Å; C609-H1461 PolarHBondContact O-NE2 3.3Å |
| 610 | I | 56.7 | Low | 56.8 | Low | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -68 | -78.9 | 172.6 | -41.7 | 69 | 0 | 0 | 0 | 109.8 | Y606 T608 T612 H613 V632 L635 L636 H1461 K1465 P1573 | Y606-I610 VanDerWaalsContact C-CD1 3.46Å; Y606-I610 WeakPolarHBondContact O-CD1 3.2Å; Y606-I610 PolarHBondContact O-N 2.89Å; T608-I610 VanDerWaalsContact C-N 3.29Å; T608-I610 PolarHBondContact O-N 3.14Å; I610-T612 PolarHBondContact O-N 3.39Å; I610-H613 WeakPolarHBondContact O-CA 3.41Å; I610-H613 PolarHBondContact O-N 3.07Å; I610-H613 PolarHBondContact O-ND1 3.3Å; I610-V632 HydrophobicContact CG2-CG1 3.49Å; I610-V632 VanDerWaalsContact CG2-CG1 3.49Å; I610-L635 HydrophobicContact CD1-CB 4.17Å; I610-L635 HydrophobicContact CD1-CD1 4.03Å; I610-L635 HydrophobicContact CD1-CD2 3.55Å; I610-L635 HydrophobicContact CD1-CG 4.06Å; I610-L635 HydrophobicContact CG1-CB 3.7Å; I610-L635 HydrophobicContact CG1-CD1 3.93Å; I610-L635 HydrophobicContact CG1-CD2 4.1Å; I610-L635 HydrophobicContact CG1-CG 4.05Å; I610-L636 HydrophobicContact CB-CG 4.27Å; I610-L636 HydrophobicContact CD1-CB 3.92Å; I610-L636 HydrophobicContact CD1-CD2 3.37Å; I610-L636 HydrophobicContact CD1-CG 3.32Å; I610-L636 HydrophobicContact CG1-CB 4.18Å; I610-L636 HydrophobicContact CG1-CD2 4.24Å; I610-L636 HydrophobicContact CG1-CG 3.66Å; I610-L636 VanDerWaalsContact CG1-N 3.29Å; I610-H1461 VanDerWaalsContact CA-CE1 3.49Å; I610-H1461 WeakPolarHBondContact CA-CE1 3.37Å; I610-H1461 WeakPolarHBondContact CG2-O 2.94Å; I610-H1461 PolarHBondContact O-NE2 3.47Å; I610-K1465 HydrophobicContact CB-CB 3.63Å; I610-K1465 HydrophobicContact CB-CD 4.22Å; I610-K1465 HydrophobicContact CB-CG 3.74Å; I610-K1465 HydrophobicContact CG2-CB 3.53Å; I610-K1465 HydrophobicContact CG2-CG 4.18Å; I610-P1573 HydrophobicContact CG1-CB 4.39Å; I610-P1573 HydrophobicContact CG1-CG 4.11Å; I610-P1573 HydrophobicContact CG2-CG 4.2Å |
| 611 | S | 50.3 | Low | 56.1 | Low | 30 Ų | 30 | 32.9 Ų | 32.9 | 21% | 0.21 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -66.6 | 55.1 | 167.4 | 81.7 | 0 | 0 | 0 | 0 | 116.6 | T608 E1462 K1465 | T608-S611 CarbonylContact O-C 3.59Å; S611-E1462 WeakPolarHBondContact CA-OE1 3.41Å; S611-E1462 WeakPolarHBondContact CA-OE2 3.16Å; S611-E1462 WeakPolarHBondContact CB-OE1 3.36Å; S611-K1465 WeakPolarHBondContact OG-CD 3.09Å; S611-K1465 PolarHBondContact OG-NZ 3.11Å |
| 612 | T | 52.7 | Low | 55.6 | Low | 60 Ų | 60 | 32.7 Ų | 32.7 | 37% | 0.368 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -132.3 | 10 | 142.9 | 49 | 0 | 0 | 0 | 0 | 110.5 | T608 C609 I610 I614 E1462 | T608-T612 HydrophobicContact CG2-CG2 4.25Å; T608-T612 PolarHBondContact O-N 3.04Å; T608-T612 PolarHBondContact O-OG1 2.85Å; C609-T612 PolarHBondContact O-OG1 2.97Å; I610-T612 PolarHBondContact O-N 3.39Å; T612-I614 VanDerWaalsContact O-CB 3.29Å; T612-I614 WeakPolarHBondContact O-CB 3.06Å; T612-I614 PolarHBondContact O-N 2.7Å; T612-I614 WeakPolarHBondContact OG1-CB 3.23Å; T612-I614 WeakPolarHBondContact OG1-CG2 3.2Å; T612-E1462 VanDerWaalsContact C-OE2 3.28Å; T612-E1462 WeakPolarHBondContact CA-OE2 3.37Å; T612-E1462 PolarHBondContact N-OE2 2.87Å |
| 613 | H | 46.6 | Very low | 54.7 | Low | 19 Ų | 19 | 31.6 Ų | 31.6 | 9% | 0.088 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 11.8 | 60.4 | -145.6 | -71.1 | -19.8 | 0 | 0 | 0 | 113.8 | I610 V632 R1456 G1457 T1460 H1461 E1462 L1463 | I610-H613 WeakPolarHBondContact O-CA 3.41Å; I610-H613 PolarHBondContact O-N 3.07Å; I610-H613 PolarHBondContact O-ND1 3.3Å; H613-V632 VanDerWaalsContact CE1-CG1 3.44Å; H613-V632 WeakPolarHBondContact CE1-CG1 3.38Å; H613-V632 WeakPolarHBondContact NE2-CG2 3.27Å; H613-R1456 CarbonylContact O-C 3.54Å; H613-R1456 VanDerWaalsContact O-CA 3.29Å; H613-R1456 WeakPolarHBondContact O-CA 3.41Å; H613-G1457 PolarHBondContact O-N 2.74Å; H613-T1460 PolarHBondContact CD2-O 2.93Å; H613-T1460 PolarHBondContact NE2-O 3.21Å; H613-H1461 WeakPolarHBondContact CA-CD2 3.37Å; H613-H1461 WeakPolarHBondContact CA-NE2 3.45Å; H613-H1461 VanDerWaalsContact CD2-C 3.49Å; H613-H1461 PolarHBondContact CE1-O 3.07Å; H613-H1461 AromaticContact ND1-CD2 3.88Å; H613-H1461 AromaticContact ND1-NE2 3.78Å; H613-H1461 PolarHBondContact ND1-O 3.18Å; H613-H1461 VanDerWaalsContact ND1-O 3.11Å; H613-H1461 PolarHBondContact NE2-O 2.73Å; H613-E1462 HydrophobicContact CB-CB 3.83Å; H613-E1462 HydrophobicContact CB-CG 3.56Å; H613-E1462 VanDerWaalsContact CD2-C 3.43Å; H613-E1462 WeakPolarHBondContact CD2-CA 3.44Å; H613-E1462 WeakPolarHBondContact CD2-CB 3.37Å; H613-E1462 PolarHBondContact CD2-N 3.38Å; H613-E1462 WeakPolarHBondContact CE1-CA 3.42Å; H613-E1462 PolarHBondContact CE1-N 3.07Å; H613-E1462 PolarHBondContact CE1-O 2.92Å; H613-E1462 PolarHBondContact N-OE2 3.18Å; H613-E1462 WeakPolarHBondContact ND1-CA 3.24Å; H613-E1462 PolarHBondContact ND1-N 3.15Å; H613-E1462 WeakPolarHBondContact NE2-CA 3.36Å; H613-E1462 WeakPolarHBondContact NE2-CB 3.32Å; H613-E1462 PolarHBondContact NE2-N 3.44Å; H613-E1462 PolarHBondContact NE2-O 3.19Å; H613-L1463 PolarHBondContact CE1-N 2.92Å; H613-L1463 PolarHBondContact NE2-N 3.24Å |
| 614 | I | 47.6 | Very low | 53.7 | Low | 92 Ų | 92 | 31.1 Ų | 31.1 | 47% | 0.472 | 16% | 0.155 | S | C | . | . | trans | -128.9 | 157.5 | -164.1 | -121 | 169.6 | 0 | 0 | 0 | 118.8 | C609 T612 M1455 R1456 | C609-I614 PolarHBondContact O-N 3.27Å; T612-I614 VanDerWaalsContact O-CB 3.29Å; T612-I614 WeakPolarHBondContact O-CB 3.06Å; T612-I614 PolarHBondContact O-N 2.7Å; T612-I614 WeakPolarHBondContact OG1-CB 3.23Å; T612-I614 WeakPolarHBondContact OG1-CG2 3.2Å; I614-M1455 CarbonylContact O-C 3.55Å; I614-R1456 VanDerWaalsContact C-CA 3.43Å; I614-R1456 HydrophobicContact CG1-CG 4.36Å; I614-R1456 PolarHBondContact O-N 3Å | ||
| 615 | F | 52.9 | Low | 53.2 | Low | 44 Ų | 44 | 27.1 Ų | 27.1 | 19% | 0.193 | 14% | 0.136 | C | C | . | . | trans | -80.8 | 135.2 | -161.6 | -107.7 | -30.8 | 0 | 0 | 0 | 119.3 | Y620 V1432 M1455 R1456 | F615-Y620 HydrophobicContact CD1-CD2 4.37Å; F615-Y620 AromaticContact CD1-CE2 3.36Å; F615-Y620 HydrophobicContact CD1-CE2 3.36Å; F615-Y620 AromaticContact CD1-CZ 3.76Å; F615-Y620 HydrophobicContact CE1-CD2 4.23Å; F615-Y620 HydrophobicContact CE1-CE1 4.25Å; F615-Y620 AromaticContact CE1-CE2 3.29Å; F615-Y620 HydrophobicContact CE1-CE2 3.29Å; F615-Y620 AromaticContact CE1-CZ 3.32Å; F615-Y620 VanDerWaalsContact CE1-OH 3.23Å; F615-Y620 WeakPolarHBondContact CE1-OH 3.27Å; F615-Y620 WeakPolarHBondContact CE2-OH 3.33Å; F615-Y620 HydrophobicContact CG-CE2 4.27Å; F615-Y620 HydrophobicContact CZ-CE1 4.43Å; F615-Y620 HydrophobicContact CZ-CE2 4.1Å; F615-Y620 AromaticContact CZ-CZ 3.65Å; F615-Y620 WeakPolarHBondContact CZ-OH 3.18Å; F615-V1432 HydrophobicContact CE2-CB 4.26Å; F615-V1432 HydrophobicContact CE2-CG2 4.35Å; F615-V1432 HydrophobicContact CZ-CB 4.15Å; F615-M1455 VanDerWaalsContact CA-O 3.28Å; F615-M1455 WeakPolarHBondContact CA-O 3.48Å; F615-M1455 WeakPolarHBondContact CD1-O 3.36Å; F615-R1456 HydrophobicContact CB-CB 3.7Å; F615-R1456 HydrophobicContact CB-CG 4.28Å; F615-R1456 HydrophobicContact CD1-CB 3.55Å; F615-R1456 HydrophobicContact CD2-CB 3.38Å; F615-R1456 HydrophobicContact CD2-CG 3.95Å; F615-R1456 HydrophobicContact CE1-CB 3.8Å; F615-R1456 HydrophobicContact CE2-CB 3.68Å; F615-R1456 HydrophobicContact CE2-CG 4.38Å; F615-R1456 HydrophobicContact CG-CB 3.28Å; F615-R1456 HydrophobicContact CG-CG 4.16Å; F615-R1456 HydrophobicContact CZ-CB 3.85Å | ||
| 616 | P | 52.8 | Low | 52.4 | Low | 12 Ų | 12 | 25.9 Ų | 25.9 | 8% | 0.078 | 13% | 0.131 | C | C | . | . | trans | -132.9 | 142.5 | 139.8 | -1.8 | 25.8 | 0 | 0 | 0 | 115.7 | F605 L619 Y620 S1454 M1455 | F605-P616 HydrophobicContact CE1-CG 4.03Å; F605-P616 HydrophobicContact CZ-CB 4.33Å; F605-P616 HydrophobicContact CZ-CG 3.63Å; P616-L619 HydrophobicContact CB-CB 3.86Å; P616-L619 HydrophobicContact CB-CD2 4.29Å; P616-L619 HydrophobicContact CG-CB 3.97Å; P616-L619 HydrophobicContact CG-CD2 3.46Å; P616-L619 VanDerWaalsContact CG-CD2 3.46Å; P616-L619 HydrophobicContact CG-CG 4.29Å; P616-L619 WeakPolarHBondContact O-CB 3.26Å; P616-L619 PolarHBondContact O-N 3.39Å; P616-Y620 WeakPolarHBondContact O-CD2 3.29Å; P616-Y620 WeakPolarHBondContact O-CE2 3.36Å; P616-S1454 WeakPolarHBondContact CD-OG 3.41Å; P616-S1454 WeakPolarHBondContact O-CB 3.44Å; P616-S1454 PolarHBondContact O-OG 3.44Å; P616-M1455 WeakPolarHBondContact CD-O 3.48Å | ||
| 617 | R | 51 | Low | 51.8 | Low | 72 Ų | 72 | 25.9 Ų | 25.9 | 27% | 0.272 | 13% | 0.131 | S | C | . | . | G | 310 helix | trans | -73.8 | -32.1 | 177.7 | -165.3 | 155.6 | 139.7 | -148.9 | -2.2 | 115.8 | L619 Y620 L698 Y1437 | R617-L619 PolarHBondContact O-N 3.01Å; R617-L619 VanDerWaalsContact O-N 3.1Å; R617-Y620 VanDerWaalsContact CA-CE2 3.49Å; R617-Y620 HydrophobicContact CB-CD2 4.19Å; R617-Y620 HydrophobicContact CB-CE2 4.02Å; R617-Y620 HydrophobicContact CG-CD2 4.23Å; R617-Y620 HydrophobicContact CG-CE2 4.24Å; R617-Y620 HydrophobicContact CG-CG 4.39Å; R617-Y620 WeakPolarHBondContact O-CB 3.47Å; R617-Y620 PolarHBondContact O-N 2.85Å; R617-L698 HydrophobicContact CB-CD1 3.71Å; R617-L698 HydrophobicContact CB-CD2 4.14Å; R617-L698 HydrophobicContact CB-CG 3.93Å; R617-L698 HydrophobicContact CG-CD1 4.44Å; R617-L698 HydrophobicContact CG-CD2 4.14Å; R617-L698 HydrophobicContact CG-CG 4.49Å; R617-L698 VanDerWaalsContact CZ-CD2 3.49Å; R617-Y1437 HydrophobicContact CB-CE1 4.43Å; R617-Y1437 HydrophobicContact CG-CE1 3.82Å; R617-Y1437 VanDerWaalsContact O-CE1 3.24Å; R617-Y1437 WeakPolarHBondContact O-CE1 3.32Å |
| 618 | H | 56.1 | Low | 51.1 | Low | 5 Ų | 5 | 21.1 Ų | 21.1 | 2% | 0.023 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -59.8 | -23.1 | 170.3 | 73.9 | -99.1 | 0 | 0 | 0 | 114.4 | F605 Y606 K621 L694 T697 | F605-H618 AromaticContact CE1-CE1 3.47Å; F605-H618 VanDerWaalsContact CE1-CE1 3.47Å; F605-H618 WeakPolarHBondContact CE1-CE1 3.23Å; F605-H618 AromaticContact CE1-NE2 3.75Å; F605-H618 AromaticContact CZ-CE1 3.74Å; Y606-H618 AromaticContact CE1-NE2 3.61Å; Y606-H618 AromaticContact CZ-NE2 3.95Å; Y606-H618 PolarHBondContact OH-NE2 3.32Å; H618-K621 WeakPolarHBondContact O-CB 2.72Å; H618-K621 WeakPolarHBondContact O-CD 3.48Å; H618-K621 WeakPolarHBondContact O-CG 3.48Å; H618-L694 PolarHBondContact CE1-O 3.27Å; H618-L694 PolarHBondContact ND1-O 2.97Å; H618-T697 VanDerWaalsContact CB-CB 3.41Å; H618-T697 HydrophobicContact CB-CG2 3.25Å; H618-T697 PolarHBondContact ND1-OG1 2.93Å |
| 619 | L | 51.2 | Low | 51.1 | Low | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -90.3 | -5.3 | -174.8 | -171.2 | 51.8 | 0 | 0 | 0 | 105.3 | F605 Y606 P616 R617 K621 L635 L638 I1452 L1453 S1454 | F605-L619 HydrophobicContact CE1-CD2 4.12Å; Y606-L619 HydrophobicContact CD1-CD1 3.93Å; Y606-L619 HydrophobicContact CD1-CD2 3.75Å; Y606-L619 HydrophobicContact CE1-CD1 3.45Å; Y606-L619 VanDerWaalsContact CE1-CD1 3.45Å; Y606-L619 HydrophobicContact CE1-CD2 3.69Å; Y606-L619 HydrophobicContact CE1-CG 4.2Å; P616-L619 HydrophobicContact CB-CB 3.86Å; P616-L619 HydrophobicContact CB-CD2 4.29Å; P616-L619 HydrophobicContact CG-CB 3.97Å; P616-L619 HydrophobicContact CG-CD2 3.46Å; P616-L619 VanDerWaalsContact CG-CD2 3.46Å; P616-L619 HydrophobicContact CG-CG 4.29Å; P616-L619 WeakPolarHBondContact O-CB 3.26Å; P616-L619 PolarHBondContact O-N 3.39Å; R617-L619 PolarHBondContact O-N 3.01Å; R617-L619 VanDerWaalsContact O-N 3.1Å; L619-K621 PolarHBondContact O-N 3.45Å; L619-L635 HydrophobicContact CD1-CD2 4.23Å; L619-L635 HydrophobicContact CD1-CG 4.4Å; L619-L635 HydrophobicContact CD2-CD1 3.87Å; L619-L635 HydrophobicContact CD2-CD2 3.73Å; L619-L635 HydrophobicContact CD2-CG 3.75Å; L619-L635 HydrophobicContact CG-CD2 4.39Å; L619-L635 HydrophobicContact CG-CG 4.19Å; L619-L638 HydrophobicContact CD1-CD2 3.12Å; L619-I1452 CarbonylContact C-O 3.57Å; L619-I1452 HydrophobicContact CD1-CG2 3.61Å; L619-I1452 CarbonylContact O-C 3.48Å; L619-L1453 WeakPolarHBondContact CD1-O 3.44Å; L619-L1453 WeakPolarHBondContact CG-O 3.48Å; L619-L1453 CarbonylContact O-C 3.52Å; L619-L1453 WeakPolarHBondContact O-CA 3.03Å; L619-L1453 PolarHBondContact O-N 2.86Å; L619-S1454 VanDerWaalsContact C-OG 3.31Å; L619-S1454 WeakPolarHBondContact CB-OG 3.43Å; L619-S1454 WeakPolarHBondContact CG-OG 3.3Å; L619-S1454 WeakPolarHBondContact O-CA 3.09Å; L619-S1454 WeakPolarHBondContact O-CB 3.05Å; L619-S1454 PolarHBondContact O-N 3.33Å; L619-S1454 PolarHBondContact O-OG 3Å |
| 620 | Y | 48.5 | Very low | 51 | Low | 22 Ų | 22 | 18 Ų | 18 | 9% | 0.086 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -69.5 | -24.5 | 178.9 | -73.8 | -145.7 | 0 | 0 | 0 | 108.3 | F615 P616 R617 F622 L623 N1435 L1436 I1452 | F615-Y620 HydrophobicContact CD1-CD2 4.37Å; F615-Y620 AromaticContact CD1-CE2 3.36Å; F615-Y620 HydrophobicContact CD1-CE2 3.36Å; F615-Y620 AromaticContact CD1-CZ 3.76Å; F615-Y620 HydrophobicContact CE1-CD2 4.23Å; F615-Y620 HydrophobicContact CE1-CE1 4.25Å; F615-Y620 AromaticContact CE1-CE2 3.29Å; F615-Y620 HydrophobicContact CE1-CE2 3.29Å; F615-Y620 AromaticContact CE1-CZ 3.32Å; F615-Y620 VanDerWaalsContact CE1-OH 3.23Å; F615-Y620 WeakPolarHBondContact CE1-OH 3.27Å; F615-Y620 WeakPolarHBondContact CE2-OH 3.33Å; F615-Y620 HydrophobicContact CG-CE2 4.27Å; F615-Y620 HydrophobicContact CZ-CE1 4.43Å; F615-Y620 HydrophobicContact CZ-CE2 4.1Å; F615-Y620 AromaticContact CZ-CZ 3.65Å; F615-Y620 WeakPolarHBondContact CZ-OH 3.18Å; P616-Y620 WeakPolarHBondContact O-CD2 3.29Å; P616-Y620 WeakPolarHBondContact O-CE2 3.36Å; R617-Y620 VanDerWaalsContact CA-CE2 3.49Å; R617-Y620 HydrophobicContact CB-CD2 4.19Å; R617-Y620 HydrophobicContact CB-CE2 4.02Å; R617-Y620 HydrophobicContact CG-CD2 4.23Å; R617-Y620 HydrophobicContact CG-CE2 4.24Å; R617-Y620 HydrophobicContact CG-CG 4.39Å; R617-Y620 WeakPolarHBondContact O-CB 3.47Å; R617-Y620 PolarHBondContact O-N 2.85Å; Y620-F622 PolarHBondContact O-N 3.08Å; Y620-L623 PolarHBondContact O-N 2.78Å; Y620-N1435 WeakPolarHBondContact CB-ND2 3.44Å; Y620-N1435 HydrophobicContact CD1-CB 3.71Å; Y620-N1435 WeakPolarHBondContact CD1-ND2 3.07Å; Y620-N1435 CarbonylContact O-C 3.56Å; Y620-L1436 WeakPolarHBondContact O-CA 3.11Å; Y620-L1436 PolarHBondContact O-N 3.41Å; Y620-I1452 CarbonylContact C-O 3.59Å |
| 621 | K | 50.3 | Low | 50.7 | Low | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.7 | -5.3 | -172.4 | -178.2 | 139.8 | -60.1 | -178.3 | 0 | 120.5 | H618 L619 L1436 Y1437 G1438 L1439 P1451 I1452 | H618-K621 WeakPolarHBondContact O-CB 2.72Å; H618-K621 WeakPolarHBondContact O-CD 3.48Å; H618-K621 WeakPolarHBondContact O-CG 3.48Å; L619-K621 PolarHBondContact O-N 3.45Å; K621-L1436 VanDerWaalsContact CA-CA 3.46Å; K621-L1436 WeakPolarHBondContact O-CD1 3.25Å; K621-L1436 VanDerWaalsContact O-CG 3.25Å; K621-L1436 WeakPolarHBondContact O-CG 3.45Å; K621-Y1437 WeakPolarHBondContact CA-O 3.19Å; K621-Y1437 WeakPolarHBondContact CB-O 3.06Å; K621-Y1437 WeakPolarHBondContact CD-O 3.42Å; K621-Y1437 VanDerWaalsContact CE-CA 3.47Å; K621-Y1437 VanDerWaalsContact CE-CB 3.49Å; K621-Y1437 WeakPolarHBondContact CE-O 3.38Å; K621-Y1437 WeakPolarHBondContact CG-O 3.34Å; K621-G1438 VanDerWaalsContact CD-C 3.49Å; K621-G1438 WeakPolarHBondContact CE-O 3.33Å; K621-G1438 PolarHBondContact NZ-O 2.68Å; K621-L1439 HydrophobicContact CD-CB 3.9Å; K621-L1439 HydrophobicContact CD-CD2 3.21Å; K621-L1439 HydrophobicContact CD-CG 3.26Å; K621-L1439 HydrophobicContact CG-CB 4.5Å; K621-L1439 HydrophobicContact CG-CD2 4.41Å; K621-L1439 HydrophobicContact CG-CG 4Å; K621-P1451 CarbonylContact O-C 3.29Å; K621-P1451 WeakPolarHBondContact O-CA 3.42Å; K621-P1451 WeakPolarHBondContact O-CB 3.42Å; K621-I1452 CarbonylContact C-O 2.91Å; K621-I1452 WeakPolarHBondContact CA-O 3.44Å; K621-I1452 HydrophobicContact CB-CB 3.79Å; K621-I1452 WeakPolarHBondContact CB-O 3.1Å; K621-I1452 HydrophobicContact CD-CB 4.44Å; K621-I1452 HydrophobicContact CD-CG1 4.43Å; K621-I1452 HydrophobicContact CG-CB 3.65Å; K621-I1452 HydrophobicContact CG-CG1 3.91Å; K621-I1452 VanDerWaalsContact CG-N 3.34Å; K621-I1452 PolarHBondContact N-O 2.71Å; K621-I1452 PolarHBondContact O-N 2.88Å |
| 622 | F | 55 | Low | 51.2 | Low | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.009 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -5.6 | 155.9 | -47.9 | 97 | 0 | 0 | 0 | 113.9 | Y620 S625 N626 L638 L1436 R1450 P1451 I1452 L1453 M1570 | Y620-F622 PolarHBondContact O-N 3.08Å; F622-S625 WeakPolarHBondContact CA-OG 3.38Å; F622-S625 PolarHBondContact O-N 3.08Å; F622-S625 PolarHBondContact O-OG 3.36Å; F622-N626 HydrophobicContact CB-CB 4.09Å; F622-N626 WeakPolarHBondContact CB-ND2 3.24Å; F622-N626 WeakPolarHBondContact CD2-ND2 3.47Å; F622-N626 VanDerWaalsContact CG-ND2 3.34Å; F622-N626 WeakPolarHBondContact CG-ND2 3.36Å; F622-N626 WeakPolarHBondContact O-CA 3.48Å; F622-N626 WeakPolarHBondContact O-CB 3.3Å; F622-N626 PolarHBondContact O-N 2.66Å; F622-L638 HydrophobicContact CE1-CD1 4.04Å; F622-L1436 VanDerWaalsContact N-CD1 3.34Å; F622-R1450 HydrophobicContact CE2-CG 4.2Å; F622-R1450 HydrophobicContact CZ-CG 4.43Å; F622-P1451 HydrophobicContact CB-CB 3.79Å; F622-P1451 VanDerWaalsContact CD1-C 3.43Å; F622-P1451 VanDerWaalsContact CD2-CA 3.4Å; F622-P1451 HydrophobicContact CD2-CB 3.1Å; F622-P1451 HydrophobicContact CD2-CG 3.42Å; F622-P1451 VanDerWaalsContact CD2-CG 3.42Å; F622-P1451 WeakPolarHBondContact CD2-O 3.44Å; F622-P1451 WeakPolarHBondContact CE1-O 3.44Å; F622-P1451 HydrophobicContact CE2-CB 3.85Å; F622-P1451 HydrophobicContact CE2-CG 3.94Å; F622-P1451 WeakPolarHBondContact CE2-O 3.3Å; F622-P1451 HydrophobicContact CG-CB 3.55Å; F622-P1451 HydrophobicContact CG-CG 4.33Å; F622-P1451 VanDerWaalsContact CZ-C 3.42Å; F622-P1451 WeakPolarHBondContact CZ-O 3.43Å; F622-I1452 HydrophobicContact CD1-CB 4.48Å; F622-I1452 HydrophobicContact CE1-CB 4.48Å; F622-I1452 HydrophobicContact CE1-CD1 4.44Å; F622-I1452 HydrophobicContact CZ-CD1 4.45Å; F622-I1452 VanDerWaalsContact N-N 3.17Å; F622-I1452 PolarHBondContact N-O 2.89Å; F622-L1453 HydrophobicContact CB-CD1 3.41Å; F622-L1453 VanDerWaalsContact CB-CD1 3.41Å; F622-L1453 HydrophobicContact CB-CG 4.46Å; F622-L1453 HydrophobicContact CD1-CB 4.09Å; F622-L1453 HydrophobicContact CD1-CD1 4.42Å; F622-L1453 HydrophobicContact CG-CD1 4.44Å; F622-M1570 WeakPolarHBondContact CB-O 3.5Å; F622-M1570 HydrophobicContact CD1-CB 3.83Å; F622-M1570 WeakPolarHBondContact CD1-O 3.26Å; F622-M1570 HydrophobicContact CD2-CB 3.5Å; F622-M1570 VanDerWaalsContact CD2-CB 3.5Å; F622-M1570 HydrophobicContact CD2-CG 4.04Å; F622-M1570 HydrophobicContact CD2-SD 3.71Å; F622-M1570 HydrophobicContact CE1-CB 3.47Å; F622-M1570 VanDerWaalsContact CE1-CB 3.47Å; F622-M1570 VanDerWaalsContact CE1-O 3.29Å; F622-M1570 WeakPolarHBondContact CE1-O 3.46Å; F622-M1570 HydrophobicContact CE2-CB 3.24Å; F622-M1570 HydrophobicContact CE2-CE 3.56Å; F622-M1570 HydrophobicContact CE2-CG 3.73Å; F622-M1570 HydrophobicContact CE2-SD 3.16Å; F622-M1570 WeakPolarHBondContact CE2-SD 3.39Å; F622-M1570 HydrophobicContact CG-CB 3.9Å; F622-M1570 WeakPolarHBondContact CG-O 3.46Å; F622-M1570 HydrophobicContact CZ-CB 3.22Å; F622-M1570 HydrophobicContact CZ-CE 3.8Å; F622-M1570 HydrophobicContact CZ-CG 4.1Å; F622-M1570 HydrophobicContact CZ-SD 3.91Å |
| 623 | L | 47.8 | Very low | 51.7 | Low | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -54.5 | -173.4 | -88.4 | 106.6 | 0 | 0 | 0 | 109.6 | Y620 S625 N626 K627 L628 P630 N634 P1434 N1435 L1436 L1453 S1454 M1455 F1555 | Y620-L623 PolarHBondContact O-N 2.78Å; L623-S625 PolarHBondContact O-N 3.23Å; L623-N626 CarbonylContact O-C 3.56Å; L623-N626 VanDerWaalsContact O-C 3.28Å; L623-N626 PolarHBondContact O-N 2.73Å; L623-K627 CarbonylContact O-C 3.54Å; L623-K627 WeakPolarHBondContact O-CA 3.04Å; L623-K627 PolarHBondContact O-N 2.67Å; L623-L628 VanDerWaalsContact CB-O 3.27Å; L623-L628 WeakPolarHBondContact CB-O 3.41Å; L623-L628 HydrophobicContact CD2-CB 3.47Å; L623-L628 VanDerWaalsContact CD2-CB 3.47Å; L623-L628 WeakPolarHBondContact CD2-O 3.3Å; L623-L628 WeakPolarHBondContact CG-O 3.48Å; L623-L628 PolarHBondContact O-N 3.27Å; L623-P630 HydrophobicContact CD1-CB 4.44Å; L623-N634 HydrophobicContact CD2-CB 4.07Å; L623-P1434 HydrophobicContact CB-CB 3.97Å; L623-P1434 HydrophobicContact CB-CG 3.75Å; L623-P1434 HydrophobicContact CD1-CB 3.29Å; L623-P1434 HydrophobicContact CD1-CG 3.62Å; L623-P1434 HydrophobicContact CG-CB 3.68Å; L623-P1434 HydrophobicContact CG-CG 3.42Å; L623-P1434 VanDerWaalsContact CG-CG 3.42Å; L623-N1435 CarbonylContact C-O 3.35Å; L623-N1435 WeakPolarHBondContact CA-O 3.06Å; L623-N1435 VanDerWaalsContact CB-O 3.25Å; L623-N1435 WeakPolarHBondContact CB-O 3.34Å; L623-N1435 PolarHBondContact N-O 3.49Å; L623-L1436 VanDerWaalsContact N-CD1 3.33Å; L623-L1453 HydrophobicContact CB-CD1 3.99Å; L623-L1453 HydrophobicContact CD1-CD1 3.43Å; L623-L1453 VanDerWaalsContact CD1-CD1 3.43Å; L623-L1453 HydrophobicContact CD1-CG 3.72Å; L623-L1453 HydrophobicContact CD2-CD1 3.43Å; L623-L1453 VanDerWaalsContact CD2-CD1 3.43Å; L623-L1453 HydrophobicContact CD2-CD2 3.89Å; L623-L1453 HydrophobicContact CD2-CG 3.77Å; L623-L1453 HydrophobicContact CG-CD1 3.66Å; L623-L1453 HydrophobicContact CG-CG 4.24Å; L623-S1454 VanDerWaalsContact CD1-O 3.23Å; L623-S1454 WeakPolarHBondContact CD1-O 3.34Å; L623-M1455 HydrophobicContact CD1-CE 3.59Å; L623-F1555 HydrophobicContact CB-CB 4.37Å; L623-F1555 HydrophobicContact CB-CD1 4.47Å; L623-F1555 HydrophobicContact CB-CD2 3.94Å; L623-F1555 HydrophobicContact CB-CG 3.87Å |
| 624 | R | 44.4 | Very low | 52.4 | Low | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.058 | C | C | . | . | G | 310 helix | trans | -40.7 | -65.1 | 163.2 | -42.2 | 141.3 | 52.2 | -177 | 7.6 | 114.9 | N626 K627 L1382 N1435 L1436 F1555 T1556 F1557 E1558 | R624-N626 VanDerWaalsContact C-N 3.34Å; R624-N626 PolarHBondContact O-N 2.67Å; R624-K627 WeakPolarHBondContact O-CG 3.45Å; R624-K627 PolarHBondContact O-N 2.93Å; R624-L1382 HydrophobicContact CB-CD2 4.06Å; R624-L1382 WeakPolarHBondContact O-CD2 3.42Å; R624-N1435 WeakPolarHBondContact CD-OD1 3.4Å; R624-N1435 VanDerWaalsContact CG-C 3.46Å; R624-N1435 WeakPolarHBondContact CG-O 3.13Å; R624-N1435 PolarHBondContact N-O 2.97Å; R624-N1435 PolarHBondContact NH1-OD1 2.96Å; R624-L1436 HydrophobicContact CB-CB 3.33Å; R624-L1436 HydrophobicContact CB-CD1 3.69Å; R624-L1436 HydrophobicContact CB-CD2 3.76Å; R624-L1436 HydrophobicContact CB-CG 3.75Å; R624-L1436 HydrophobicContact CG-CB 3.31Å; R624-L1436 HydrophobicContact CG-CD1 4.48Å; R624-L1436 HydrophobicContact CG-CG 4.3Å; R624-L1436 PolarHBondContact NH1-O 3.35Å; R624-F1555 HydrophobicContact CB-CD2 4.36Å; R624-F1555 HydrophobicContact CB-CE2 3.52Å; R624-F1555 HydrophobicContact CB-CZ 4.02Å; R624-F1555 HydrophobicContact CG-CD2 3.92Å; R624-F1555 HydrophobicContact CG-CE2 3.32Å; R624-F1555 HydrophobicContact CG-CZ 4.29Å; R624-T1556 WeakPolarHBondContact CD-O 3.33Å; R624-T1556 WeakPolarHBondContact CG-O 3.22Å; R624-F1557 HydrophobicContact CB-CB 4.29Å; R624-F1557 HydrophobicContact CB-CD2 3.6Å; R624-F1557 HydrophobicContact CB-CE2 4.43Å; R624-F1557 HydrophobicContact CB-CG 4.39Å; R624-F1557 HydrophobicContact CG-CB 3.6Å; R624-F1557 HydrophobicContact CG-CD2 3.6Å; R624-F1557 HydrophobicContact CG-CG 3.96Å; R624-F1557 VanDerWaalsContact NE-CE2 3.26Å; R624-F1557 VanDerWaalsContact NH2-CD1 3.34Å; R624-E1558 IonicContact CZ-OE1 2.68Å; R624-E1558 IonicContact NH1-OE1 3.53Å; R624-E1558 PolarHBondContact NH1-OE1 2.8Å; R624-E1558 VanDerWaalsContact NH2-CG 3.34Å; R624-E1558 IonicContact NH2-OE1 3.48Å; R624-E1558 PolarHBondContact NH2-OE1 3.04Å |
| 625 | S | 47.8 | Very low | 52.8 | Low | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.036 | C | C | . | . | G | 310 helix | trans | -72.6 | -13.2 | -175.6 | 65.6 | 0 | 0 | 0 | 0 | 117.1 | F622 L623 F1388 P1451 | F622-S625 WeakPolarHBondContact CA-OG 3.38Å; F622-S625 PolarHBondContact O-N 3.08Å; F622-S625 PolarHBondContact O-OG 3.36Å; L623-S625 PolarHBondContact O-N 3.23Å; S625-F1388 WeakPolarHBondContact O-CE1 3.45Å; S625-F1388 WeakPolarHBondContact O-CE2 3.25Å; S625-F1388 WeakPolarHBondContact O-CZ 3.34Å; S625-P1451 WeakPolarHBondContact OG-CB 3.5Å; S625-P1451 WeakPolarHBondContact OG-CG 3.41Å |
| 626 | N | 50.2 | Low | 53.2 | Low | 5 Ų | 5 | 6.8 Ų | 6.8 | 3% | 0.027 | 3% | 0.029 | C | C | . | . | G | 310 helix | trans | -128.3 | 40.7 | 177.9 | -59.4 | -7.4 | 0 | 0 | 0 | 108.1 | F622 L623 R624 L628 F1388 Q1564 A1569 M1570 | F622-N626 HydrophobicContact CB-CB 4.09Å; F622-N626 WeakPolarHBondContact CB-ND2 3.24Å; F622-N626 WeakPolarHBondContact CD2-ND2 3.47Å; F622-N626 VanDerWaalsContact CG-ND2 3.34Å; F622-N626 WeakPolarHBondContact CG-ND2 3.36Å; F622-N626 WeakPolarHBondContact O-CA 3.48Å; F622-N626 WeakPolarHBondContact O-CB 3.3Å; F622-N626 PolarHBondContact O-N 2.66Å; L623-N626 CarbonylContact O-C 3.56Å; L623-N626 VanDerWaalsContact O-C 3.28Å; L623-N626 PolarHBondContact O-N 2.73Å; R624-N626 VanDerWaalsContact C-N 3.34Å; R624-N626 PolarHBondContact O-N 2.67Å; N626-L628 VanDerWaalsContact C-N 3.3Å; N626-L628 WeakPolarHBondContact O-CG 3.35Å; N626-L628 PolarHBondContact O-N 2.9Å; N626-F1388 HydrophobicContact CB-CE1 4.36Å; N626-Q1564 VanDerWaalsContact C-CB 3.49Å; N626-Q1564 VanDerWaalsContact O-CB 3.3Å; N626-Q1564 WeakPolarHBondContact O-CB 3.33Å; N626-Q1564 PolarHBondContact O-OE1 3.2Å; N626-Q1564 VanDerWaalsContact O-OE1 3.14Å; N626-A1569 HydrophobicContact CB-CB 3.47Å; N626-A1569 VanDerWaalsContact CB-CB 3.47Å; N626-M1570 WeakPolarHBondContact ND2-CA 3.48Å; N626-M1570 WeakPolarHBondContact ND2-CB 3.29Å; N626-M1570 WeakPolarHBondContact ND2-CG 3.06Å; N626-M1570 PolarHBondContact ND2-N 3.19Å; N626-M1570 PolarHBondContact ND2-O 3.1Å |
| 627 | K | 53.7 | Low | 53.6 | Low | 6 Ų | 6 | 6.2 Ų | 6.2 | 3% | 0.026 | 3% | 0.025 | C | C | . | . | trans | -1.6 | 31.8 | -162.8 | -69.2 | -166.6 | -169.3 | 161.2 | 0 | 123.2 | L623 R624 L1382 F1388 L1389 F1555 F1562 R1563 Q1564 | L623-K627 CarbonylContact O-C 3.54Å; L623-K627 WeakPolarHBondContact O-CA 3.04Å; L623-K627 PolarHBondContact O-N 2.67Å; R624-K627 WeakPolarHBondContact O-CG 3.45Å; R624-K627 PolarHBondContact O-N 2.93Å; K627-L1382 HydrophobicContact CD-CD2 3.96Å; K627-L1382 WeakPolarHBondContact CE-O 3.36Å; K627-L1382 HydrophobicContact CG-CD2 3.8Å; K627-L1382 PolarHBondContact NZ-O 3.49Å; K627-F1388 HydrophobicContact CB-CB 4.23Å; K627-F1388 HydrophobicContact CB-CD1 3.96Å; K627-F1388 HydrophobicContact CB-CG 4.41Å; K627-F1388 VanDerWaalsContact CD-C 3.5Å; K627-F1388 HydrophobicContact CD-CB 3.37Å; K627-F1388 HydrophobicContact CD-CG 4.25Å; K627-F1388 VanDerWaalsContact CE-CB 3.41Å; K627-F1388 HydrophobicContact CG-CB 3.66Å; K627-F1388 HydrophobicContact CG-CD1 4.03Å; K627-F1388 HydrophobicContact CG-CG 4Å; K627-F1388 PolarHBondContact NZ-O 3.22Å; K627-L1389 WeakPolarHBondContact CD-O 3.47Å; K627-F1555 HydrophobicContact CB-CD1 4.49Å; K627-F1555 HydrophobicContact CB-CE1 3.49Å; K627-F1555 VanDerWaalsContact CB-CE1 3.49Å; K627-F1555 HydrophobicContact CB-CZ 4.06Å; K627-F1555 HydrophobicContact CG-CE1 3.82Å; K627-F1555 HydrophobicContact CG-CZ 3.86Å; K627-F1555 WeakPolarHBondContact O-CD1 3.3Å; K627-F1555 WeakPolarHBondContact O-CE1 3.49Å; K627-F1562 HydrophobicContact CD-CB 3.83Å; K627-F1562 HydrophobicContact CD-CD1 3.46Å; K627-F1562 VanDerWaalsContact CD-CD1 3.46Å; K627-F1562 HydrophobicContact CD-CE1 4.34Å; K627-F1562 HydrophobicContact CD-CG 4Å; K627-F1562 VanDerWaalsContact CE-CE1 3.49Å; K627-F1562 HydrophobicContact CG-CB 4.17Å; K627-F1562 HydrophobicContact CG-CD1 4.4Å; K627-R1563 WeakPolarHBondContact CB-O 3.39Å; K627-R1563 CarbonylContact O-C 3.36Å; K627-R1563 WeakPolarHBondContact O-CA 3.03Å; K627-Q1564 HydrophobicContact CB-CB 3.73Å; K627-Q1564 PolarHBondContact O-N 2.76Å | ||
| 628 | L | 48.1 | Very low | 54.3 | Low | 1 Ų | 1 | 2.9 Ų | 2.9 | 1% | 0.005 | 1% | 0.013 | C | C | . | . | trans | -93.7 | 163.8 | -172.9 | -66 | -167.3 | 0 | 0 | 0 | 118.9 | L623 N626 N634 T1550 V1553 F1555 Q1564 A1569 | L623-L628 VanDerWaalsContact CB-O 3.27Å; L623-L628 WeakPolarHBondContact CB-O 3.41Å; L623-L628 HydrophobicContact CD2-CB 3.47Å; L623-L628 VanDerWaalsContact CD2-CB 3.47Å; L623-L628 WeakPolarHBondContact CD2-O 3.3Å; L623-L628 WeakPolarHBondContact CG-O 3.48Å; L623-L628 PolarHBondContact O-N 3.27Å; N626-L628 VanDerWaalsContact C-N 3.3Å; N626-L628 WeakPolarHBondContact O-CG 3.35Å; N626-L628 PolarHBondContact O-N 2.9Å; L628-N634 WeakPolarHBondContact CB-ND2 3.33Å; L628-N634 WeakPolarHBondContact CD1-OD1 3.44Å; L628-T1550 WeakPolarHBondContact CD1-O 3.19Å; L628-V1553 VanDerWaalsContact CA-O 3.28Å; L628-V1553 WeakPolarHBondContact CA-O 3.48Å; L628-V1553 HydrophobicContact CB-CB 3.88Å; L628-V1553 HydrophobicContact CB-CG2 4.2Å; L628-V1553 HydrophobicContact CD1-CB 4.4Å; L628-V1553 HydrophobicContact CD1-CG2 3.78Å; L628-V1553 HydrophobicContact CD2-CB 3.68Å; L628-V1553 HydrophobicContact CD2-CG2 3.64Å; L628-V1553 VanDerWaalsContact CD2-O 3.27Å; L628-V1553 WeakPolarHBondContact CD2-O 3.49Å; L628-V1553 HydrophobicContact CG-CB 4.18Å; L628-V1553 HydrophobicContact CG-CG2 4.08Å; L628-F1555 WeakPolarHBondContact O-CB 3.38Å; L628-F1555 WeakPolarHBondContact O-CD1 3.48Å; L628-F1555 WeakPolarHBondContact O-CG 3.33Å; L628-Q1564 HydrophobicContact CD2-CB 3.41Å; L628-Q1564 VanDerWaalsContact CD2-CB 3.41Å; L628-Q1564 HydrophobicContact CD2-CG 3.73Å; L628-Q1564 WeakPolarHBondContact CD2-O 3.3Å; L628-Q1564 HydrophobicContact CG-CB 3.84Å; L628-Q1564 HydrophobicContact CG-CG 4.09Å; L628-A1569 HydrophobicContact CB-CB 4.29Å; L628-A1569 HydrophobicContact CD1-CB 3.57Å; L628-A1569 HydrophobicContact CG-CB 3.87Å | ||
| 629 | Q | 51.9 | Low | 54.5 | Low | 6 Ų | 6 | 2.7 Ų | 2.7 | 3% | 0.028 | 1% | 0.013 | C | C | . | . | trans | -82.6 | 171 | 167.6 | -145.9 | 147 | 111.1 | 0 | 0 | 110.7 | N631 N634 L1401 L1433 V1553 Q1554 | Q629-N631 VanDerWaalsContact O-CB 3.29Å; Q629-N631 WeakPolarHBondContact O-CB 3.47Å; Q629-N634 PolarHBondContact O-ND2 3.36Å; Q629-L1401 HydrophobicContact CB-CD2 4.47Å; Q629-L1401 HydrophobicContact CG-CD2 4.14Å; Q629-L1433 HydrophobicContact CG-CD2 3.68Å; Q629-V1553 HydrophobicContact CB-CB 3.86Å; Q629-V1553 HydrophobicContact CB-CG1 3.18Å; Q629-V1553 HydrophobicContact CG-CG1 4.41Å; Q629-V1553 VanDerWaalsContact N-CB 3.31Å; Q629-Q1554 WeakPolarHBondContact CA-O 3.37Å; Q629-Q1554 VanDerWaalsContact CB-N 3.34Å; Q629-Q1554 WeakPolarHBondContact CB-O 3.39Å; Q629-Q1554 VanDerWaalsContact CD-O 3.32Å; Q629-Q1554 WeakPolarHBondContact CG-O 3.16Å; Q629-Q1554 PolarHBondContact N-O 3.05Å; Q629-Q1554 PolarHBondContact NE2-O 3.39Å | ||
| 630 | P | 55.2 | Low | 55.4 | Low | 1 Ų | 1 | 3.1 Ų | 3.1 | 1% | 0.006 | 1% | 0.014 | C | C | . | . | S | Bend | trans | -104.8 | 135.6 | -174.8 | 33.7 | -15 | 0 | 0 | 0 | 114 | L623 V1432 P1434 S1454 M1455 S1458 P1459 | L623-P630 HydrophobicContact CD1-CB 4.44Å; P630-V1432 WeakPolarHBondContact CG-O 3.25Å; P630-P1434 HydrophobicContact CB-CB 3.83Å; P630-P1434 HydrophobicContact CB-CG 3.84Å; P630-P1434 HydrophobicContact CG-CB 3.64Å; P630-P1434 HydrophobicContact CG-CG 3.36Å; P630-S1454 WeakPolarHBondContact CB-O 3.04Å; P630-M1455 VanDerWaalsContact CA-CE 3.46Å; P630-M1455 WeakPolarHBondContact CA-SD 3.24Å; P630-M1455 HydrophobicContact CB-CE 3.46Å; P630-M1455 VanDerWaalsContact CB-CE 3.46Å; P630-M1455 HydrophobicContact CB-SD 3.24Å; P630-M1455 WeakPolarHBondContact CB-SD 3.44Å; P630-S1458 WeakPolarHBondContact CB-OG 3.32Å; P630-S1458 WeakPolarHBondContact CG-OG 3.33Å; P630-S1458 PolarHBondContact O-OG 2.69Å; P630-P1459 WeakPolarHBondContact O-CD 3.39Å |
| 631 | N | 50.6 | Low | 56.2 | Low | 0 Ų | 0 | 2.4 Ų | 2.4 | 0% | 0 | 1% | 0.013 | C | C | . | . | S | Bend | 174.7 | 147.9 | -121.6 | 173.2 | -62.9 | 0 | 0 | 0 | 108.3 | Q629 S633 N634 M1455 T1460 H1461 C1549 V1553 | Q629-N631 VanDerWaalsContact O-CB 3.29Å; Q629-N631 WeakPolarHBondContact O-CB 3.47Å; N631-S633 WeakPolarHBondContact OD1-CA 3.34Å; N631-S633 VanDerWaalsContact OD1-CB 3.28Å; N631-S633 WeakPolarHBondContact OD1-CB 3.1Å; N631-S633 PolarHBondContact OD1-N 3.12Å; N631-N634 HydrophobicContact CB-CB 4.07Å; N631-N634 WeakPolarHBondContact O-CA 3.47Å; N631-N634 WeakPolarHBondContact O-CB 3.5Å; N631-N634 PolarHBondContact O-N 2.77Å; N631-N634 PolarHBondContact OD1-N 3.3Å; N631-M1455 PolarHBondContact N-SD 3.22Å; N631-T1460 VanDerWaalsContact C-OG1 3.31Å; N631-T1460 WeakPolarHBondContact CA-OG1 3.3Å; N631-T1460 HydrophobicContact CB-CG2 4Å; N631-T1460 VanDerWaalsContact CG-OG1 3.23Å; N631-T1460 WeakPolarHBondContact ND2-CG2 3.36Å; N631-T1460 PolarHBondContact ND2-OG1 2.74Å; N631-T1460 PolarHBondContact OD1-OG1 3.05Å; N631-H1461 VanDerWaalsContact C-N 3.29Å; N631-H1461 VanDerWaalsContact N-N 3.18Å; N631-C1549 WeakPolarHBondContact ND2-CA 3.32Å; N631-C1549 PolarHBondContact ND2-O 2.89Å; N631-C1549 PolarHBondContact OD1-O 2.89Å; N631-V1553 HydrophobicContact CB-CG1 4.32Å; N631-V1553 VanDerWaalsContact ND2-CG1 3.35Å; N631-V1553 WeakPolarHBondContact ND2-CG1 3.49Å | |
| 632 | V | 60.6 | Low | 57 | Low | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.016 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 3.9 | 178.3 | -142.9 | 0 | 0 | 0 | 0 | 115.2 | I610 H613 N634 T1460 H1461 L1463 A1464 P1573 | I610-V632 HydrophobicContact CG2-CG1 3.49Å; I610-V632 VanDerWaalsContact CG2-CG1 3.49Å; H613-V632 VanDerWaalsContact CE1-CG1 3.44Å; H613-V632 WeakPolarHBondContact CE1-CG1 3.38Å; H613-V632 WeakPolarHBondContact NE2-CG2 3.27Å; V632-N634 VanDerWaalsContact C-N 3.31Å; V632-T1460 WeakPolarHBondContact CG2-O 3.5Å; V632-T1460 WeakPolarHBondContact CG2-OG1 3.42Å; V632-T1460 PolarHBondContact N-OG1 2.7Å; V632-H1461 WeakPolarHBondContact CA-O 3.43Å; V632-H1461 VanDerWaalsContact CB-O 3.29Å; V632-H1461 WeakPolarHBondContact CB-O 3.41Å; V632-H1461 WeakPolarHBondContact CG1-O 3.24Å; V632-H1461 VanDerWaalsContact CG2-C 3.45Å; V632-H1461 WeakPolarHBondContact CG2-O 3.2Å; V632-L1463 HydrophobicContact CG2-CB 3.81Å; V632-L1463 HydrophobicContact CG2-CG 4.13Å; V632-A1464 HydrophobicContact CB-CB 3.35Å; V632-A1464 HydrophobicContact CG1-CB 3.35Å; V632-A1464 HydrophobicContact CG2-CB 4.13Å; V632-A1464 VanDerWaalsContact CG2-N 3.33Å; V632-A1464 WeakPolarHBondContact O-CB 3.43Å; V632-P1573 HydrophobicContact CB-CG 4.43Å; V632-P1573 HydrophobicContact CG1-CB 4.16Å; V632-P1573 HydrophobicContact CG1-CG 3.79Å; V632-P1573 WeakPolarHBondContact O-CB 3.41Å; V632-P1573 WeakPolarHBondContact O-CD 3.16Å; V632-P1573 WeakPolarHBondContact O-CG 3.07Å |
| 633 | S | 62.9 | Low | 57.5 | Low | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 2% | 0.017 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 15.5 | 140.3 | -76.2 | 0 | 0 | 0 | 0 | 110.8 | N631 L1546 C1549 T1550 S1572 P1573 L1574 | N631-S633 WeakPolarHBondContact OD1-CA 3.34Å; N631-S633 VanDerWaalsContact OD1-CB 3.28Å; N631-S633 WeakPolarHBondContact OD1-CB 3.1Å; N631-S633 PolarHBondContact OD1-N 3.12Å; S633-L1546 PolarHBondContact OG-O 2.89Å; S633-C1549 WeakPolarHBondContact CB-O 3.47Å; S633-C1549 WeakPolarHBondContact OG-CB 3.34Å; S633-T1550 VanDerWaalsContact CB-CG2 3.4Å; S633-T1550 VanDerWaalsContact OG-CG2 3.24Å; S633-T1550 WeakPolarHBondContact OG-CG2 3.39Å; S633-T1550 PolarHBondContact OG-N 3.13Å; S633-T1550 VanDerWaalsContact OG-N 3.14Å; S633-S1572 WeakPolarHBondContact O-CA 3.37Å; S633-S1572 WeakPolarHBondContact O-CB 3.21Å; S633-S1572 PolarHBondContact O-OG 2.92Å; S633-P1573 WeakPolarHBondContact O-CD 3.2Å; S633-L1574 WeakPolarHBondContact OG-CD1 3.41Å |
| 634 | N | 61 | Low | 58.3 | Low | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 2% | 0.017 | C | C | . | . | S | Bend | trans | -116 | 17.8 | 167.1 | -64.2 | -50.9 | 0 | 0 | 0 | 125.4 | L623 L628 Q629 N631 V632 L1453 M1455 S1572 | L623-N634 HydrophobicContact CD2-CB 4.07Å; L628-N634 WeakPolarHBondContact CB-ND2 3.33Å; L628-N634 WeakPolarHBondContact CD1-OD1 3.44Å; Q629-N634 PolarHBondContact O-ND2 3.36Å; N631-N634 HydrophobicContact CB-CB 4.07Å; N631-N634 WeakPolarHBondContact O-CA 3.47Å; N631-N634 WeakPolarHBondContact O-CB 3.5Å; N631-N634 PolarHBondContact O-N 2.77Å; N631-N634 PolarHBondContact OD1-N 3.3Å; V632-N634 VanDerWaalsContact C-N 3.31Å; N634-L1453 HydrophobicContact CB-CD2 3.59Å; N634-L1453 HydrophobicContact CB-CG 4.11Å; N634-L1453 CarbonylContact O-C 3.21Å; N634-L1453 WeakPolarHBondContact O-CB 2.89Å; N634-L1453 VanDerWaalsContact O-CD2 3.28Å; N634-L1453 WeakPolarHBondContact O-CD2 3.47Å; N634-L1453 WeakPolarHBondContact O-CG 3.43Å; N634-L1453 VanDerWaalsContact OD1-CD2 3.26Å; N634-L1453 WeakPolarHBondContact OD1-CD2 3.26Å; N634-M1455 VanDerWaalsContact C-CE 3.44Å; N634-M1455 HydrophobicContact CB-CE 3.08Å; N634-M1455 HydrophobicContact CB-SD 4.39Å; N634-M1455 WeakPolarHBondContact O-CE 3.49Å; N634-S1572 VanDerWaalsContact CA-CA 3.48Å; N634-S1572 PolarHBondContact OD1-OG 2.85Å |
| 635 | L | 57.2 | Low | 59.4 | Low | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 2% | 0.021 | C | C | . | . | S | Bend | trans | -139.4 | -33 | 165.3 | -164.6 | -155.2 | 0 | 0 | 0 | 126.5 | Y606 C609 I610 L619 L638 L1453 M1455 H1461 G1571 S1572 P1573 | Y606-L635 HydrophobicContact CD1-CD2 3.53Å; Y606-L635 HydrophobicContact CG-CD2 3.89Å; C609-L635 HydrophobicContact CB-CD1 3.41Å; C609-L635 VanDerWaalsContact CB-CD1 3.41Å; C609-L635 HydrophobicContact CB-CD2 4.4Å; I610-L635 HydrophobicContact CD1-CB 4.17Å; I610-L635 HydrophobicContact CD1-CD1 4.03Å; I610-L635 HydrophobicContact CD1-CD2 3.55Å; I610-L635 HydrophobicContact CD1-CG 4.06Å; I610-L635 HydrophobicContact CG1-CB 3.7Å; I610-L635 HydrophobicContact CG1-CD1 3.93Å; I610-L635 HydrophobicContact CG1-CD2 4.1Å; I610-L635 HydrophobicContact CG1-CG 4.05Å; L619-L635 HydrophobicContact CD1-CD2 4.23Å; L619-L635 HydrophobicContact CD1-CG 4.4Å; L619-L635 HydrophobicContact CD2-CD1 3.87Å; L619-L635 HydrophobicContact CD2-CD2 3.73Å; L619-L635 HydrophobicContact CD2-CG 3.75Å; L619-L635 HydrophobicContact CG-CD2 4.39Å; L619-L635 HydrophobicContact CG-CG 4.19Å; L635-L638 WeakPolarHBondContact O-CB 3.27Å; L635-L638 PolarHBondContact O-N 3.3Å; L635-L1453 WeakPolarHBondContact CB-O 3.48Å; L635-L1453 WeakPolarHBondContact CG-O 3.35Å; L635-M1455 HydrophobicContact CB-CB 4.12Å; L635-M1455 HydrophobicContact CB-CG 3.45Å; L635-M1455 VanDerWaalsContact CB-CG 3.45Å; L635-M1455 HydrophobicContact CD1-CB 3.66Å; L635-M1455 HydrophobicContact CD1-CG 4Å; L635-M1455 HydrophobicContact CG-CB 4.16Å; L635-M1455 HydrophobicContact CG-CG 4.02Å; L635-H1461 WeakPolarHBondContact CD1-CE1 3.49Å; L635-G1571 CarbonylContact C-O 3.6Å; L635-G1571 VanDerWaalsContact C-O 3.29Å; L635-G1571 WeakPolarHBondContact CA-O 3.21Å; L635-G1571 VanDerWaalsContact O-O 3.12Å; L635-S1572 VanDerWaalsContact C-C 3.41Å; L635-S1572 CarbonylContact C-O 3.6Å; L635-S1572 WeakPolarHBondContact CA-O 3.44Å; L635-S1572 PolarHBondContact N-O 2.8Å; L635-P1573 HydrophobicContact CB-CG 4.49Å |
| 636 | L | 60.8 | Low | 60.1 | Low | 10 Ų | 10 | 4.3 Ų | 4.3 | 5% | 0.052 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -73.3 | -19.9 | 170.1 | -71.1 | 176.1 | 0 | 0 | 0 | 121.2 | K607 I610 L638 A639 K640 K1465 V1468 S1572 P1573 | K607-L636 HydrophobicContact CB-CD2 4.21Å; K607-L636 HydrophobicContact CG-CD2 3.68Å; I610-L636 HydrophobicContact CB-CG 4.27Å; I610-L636 HydrophobicContact CD1-CB 3.92Å; I610-L636 HydrophobicContact CD1-CD2 3.37Å; I610-L636 HydrophobicContact CD1-CG 3.32Å; I610-L636 HydrophobicContact CG1-CB 4.18Å; I610-L636 HydrophobicContact CG1-CD2 4.24Å; I610-L636 HydrophobicContact CG1-CG 3.66Å; I610-L636 VanDerWaalsContact CG1-N 3.29Å; L636-L638 PolarHBondContact O-N 3.11Å; L636-A639 VanDerWaalsContact C-N 3.25Å; L636-A639 HydrophobicContact CB-CB 3.92Å; L636-A639 HydrophobicContact CD2-CB 3.36Å; L636-A639 HydrophobicContact CG-CB 4.23Å; L636-A639 CarbonylContact O-C 3.59Å; L636-A639 WeakPolarHBondContact O-CA 3.43Å; L636-A639 WeakPolarHBondContact O-CB 3.21Å; L636-A639 PolarHBondContact O-N 2.87Å; L636-K640 PolarHBondContact O-N 3.14Å; L636-K1465 HydrophobicContact CD1-CB 4.49Å; L636-K1465 HydrophobicContact CD1-CD 4.44Å; L636-K1465 HydrophobicContact CD1-CG 3.49Å; L636-K1465 VanDerWaalsContact CD1-CG 3.49Å; L636-K1465 HydrophobicContact CD2-CD 4.45Å; L636-K1465 HydrophobicContact CD2-CG 4.22Å; L636-K1465 HydrophobicContact CG-CG 3.88Å; L636-V1468 HydrophobicContact CD1-CB 3.47Å; L636-V1468 VanDerWaalsContact CD1-CB 3.47Å; L636-V1468 HydrophobicContact CD1-CG1 3.49Å; L636-V1468 VanDerWaalsContact CD1-CG1 3.49Å; L636-V1468 HydrophobicContact CD1-CG2 3.89Å; L636-S1572 CarbonylContact C-O 3.55Å; L636-S1572 WeakPolarHBondContact CA-O 3.33Å; L636-S1572 PolarHBondContact N-O 3.11Å; L636-P1573 VanDerWaalsContact CB-CA 3.46Å; L636-P1573 HydrophobicContact CB-CB 3.51Å; L636-P1573 HydrophobicContact CB-CG 4.47Å; L636-P1573 HydrophobicContact CD1-CB 4.46Å; L636-P1573 HydrophobicContact CG-CB 4.14Å |
| 637 | R | 62.5 | Low | 60.7 | Low | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -46.7 | -34.4 | 150.7 | -171.8 | 170.6 | -75.9 | 136.6 | 8.6 | 112.4 | S641 F1512 V1568 A1569 S1572 P1573 L1574 G1575 P1576 | R637-S641 WeakPolarHBondContact O-CA 3.22Å; R637-S641 WeakPolarHBondContact O-CB 3.31Å; R637-S641 PolarHBondContact O-N 3.12Å; R637-F1512 VanDerWaalsContact CD-CD1 3.45Å; R637-F1512 HydrophobicContact CG-CD1 3.75Å; R637-F1512 HydrophobicContact CG-CE1 3.48Å; R637-F1512 VanDerWaalsContact CG-CE1 3.48Å; R637-F1512 HydrophobicContact CG-CZ 4.19Å; R637-V1568 WeakPolarHBondContact CD-O 3.34Å; R637-V1568 PolarHBondContact NE-O 3.47Å; R637-V1568 PolarHBondContact NH1-O 3.44Å; R637-A1569 WeakPolarHBondContact CD-O 3.4Å; R637-A1569 PolarHBondContact NH1-O 2.96Å; R637-S1572 WeakPolarHBondContact CA-O 3.45Å; R637-S1572 VanDerWaalsContact CB-CA 3.41Å; R637-S1572 VanDerWaalsContact CB-N 3.26Å; R637-S1572 WeakPolarHBondContact CB-O 3.37Å; R637-S1572 PolarHBondContact N-O 3.17Å; R637-S1572 PolarHBondContact NH1-OG 2.98Å; R637-P1573 PolarHBondContact N-O 3.12Å; R637-L1574 PolarHBondContact NH2-O 3.19Å; R637-G1575 VanDerWaalsContact CZ-O 3.25Å; R637-G1575 PolarHBondContact NE-O 2.77Å; R637-G1575 PolarHBondContact NH2-O 3.39Å; R637-P1576 VanDerWaalsContact CB-CD 3.4Å; R637-P1576 HydrophobicContact CB-CG 4.44Å; R637-P1576 HydrophobicContact CG-CG 4.07Å |
| 638 | L | 63.9 | Low | 60.9 | Low | 2 Ų | 2 | 3.8 Ų | 3.8 | 1% | 0.01 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -66.1 | -49.7 | 164.2 | -164.9 | 57.5 | 0 | 0 | 0 | 109.4 | Y606 L619 F622 L635 L636 K640 S641 H642 I1452 G1571 S1572 | Y606-L638 HydrophobicContact CD1-CD2 3.67Å; Y606-L638 HydrophobicContact CD1-CG 4.36Å; Y606-L638 HydrophobicContact CD2-CB 4.13Å; Y606-L638 HydrophobicContact CD2-CD2 3.72Å; Y606-L638 HydrophobicContact CD2-CG 3.57Å; Y606-L638 HydrophobicContact CE1-CD2 3.32Å; Y606-L638 HydrophobicContact CE1-CG 4.26Å; Y606-L638 HydrophobicContact CE2-CB 4.47Å; Y606-L638 HydrophobicContact CE2-CD1 4.37Å; Y606-L638 HydrophobicContact CE2-CD2 3.39Å; Y606-L638 HydrophobicContact CE2-CG 3.46Å; Y606-L638 VanDerWaalsContact CE2-CG 3.46Å; Y606-L638 HydrophobicContact CG-CB 4.24Å; Y606-L638 HydrophobicContact CG-CD2 3.86Å; Y606-L638 HydrophobicContact CG-CG 4.04Å; L619-L638 HydrophobicContact CD1-CD2 3.12Å; F622-L638 HydrophobicContact CE1-CD1 4.04Å; L635-L638 WeakPolarHBondContact O-CB 3.27Å; L635-L638 PolarHBondContact O-N 3.3Å; L636-L638 PolarHBondContact O-N 3.11Å; L638-K640 VanDerWaalsContact C-N 3.26Å; L638-K640 PolarHBondContact O-N 3.31Å; L638-S641 CarbonylContact O-C 3.35Å; L638-S641 PolarHBondContact O-N 3.47Å; L638-H642 PolarHBondContact O-CD2 3.31Å; L638-H642 PolarHBondContact O-N 2.96Å; L638-I1452 HydrophobicContact CD1-CD1 3.98Å; L638-I1452 HydrophobicContact CD1-CG2 4Å; L638-I1452 HydrophobicContact CD2-CB 4.48Å; L638-I1452 HydrophobicContact CD2-CG2 3.21Å; L638-I1452 HydrophobicContact CG-CG2 4.22Å; L638-G1571 WeakPolarHBondContact CB-O 3.44Å; L638-G1571 VanDerWaalsContact N-C 3.33Å; L638-G1571 VanDerWaalsContact N-CA 3.32Å; L638-G1571 PolarHBondContact N-O 3.17Å; L638-S1572 PolarHBondContact N-O 2.97Å |
| 639 | A | 61.7 | Low | 61.8 | Low | 2 Ų | 2 | 3.8 Ų | 3.8 | 2% | 0.017 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -54.7 | -38.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L603 K607 L636 H642 K643 | L603-A639 HydrophobicContact CD1-CB 4.33Å; L603-A639 WeakPolarHBondContact CD1-O 3.31Å; K607-A639 HydrophobicContact CG-CB 4.24Å; L636-A639 VanDerWaalsContact C-N 3.25Å; L636-A639 HydrophobicContact CB-CB 3.92Å; L636-A639 HydrophobicContact CD2-CB 3.36Å; L636-A639 HydrophobicContact CG-CB 4.23Å; L636-A639 CarbonylContact O-C 3.59Å; L636-A639 WeakPolarHBondContact O-CA 3.43Å; L636-A639 WeakPolarHBondContact O-CB 3.21Å; L636-A639 PolarHBondContact O-N 2.87Å; A639-H642 CarbonylContact O-C 3.54Å; A639-H642 VanDerWaalsContact O-CA 3.23Å; A639-H642 WeakPolarHBondContact O-CA 3.48Å; A639-H642 WeakPolarHBondContact O-CB 3.25Å; A639-H642 PolarHBondContact O-N 2.94Å; A639-K643 PolarHBondContact O-N 3.25Å |
| 640 | K | 69.3 | Low | 62.2 | Low | 8 Ų | 8 | 3.5 Ų | 3.5 | 4% | 0.035 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -82.7 | -30.2 | -179.3 | -91.5 | 178.8 | 161.8 | -115.4 | 0 | 111.6 | L636 L638 H642 K643 E644 P1576 L1577 E1580 | L636-K640 PolarHBondContact O-N 3.14Å; L638-K640 VanDerWaalsContact C-N 3.26Å; L638-K640 PolarHBondContact O-N 3.31Å; K640-H642 PolarHBondContact O-N 3.07Å; K640-K643 VanDerWaalsContact C-N 3.32Å; K640-K643 VanDerWaalsContact CA-CB 3.47Å; K640-K643 HydrophobicContact CB-CB 4.17Å; K640-K643 HydrophobicContact CG-CB 4.14Å; K640-K643 HydrophobicContact CG-CG 4.46Å; K640-K643 CarbonylContact O-C 3.07Å; K640-K643 WeakPolarHBondContact O-CA 3.32Å; K640-K643 WeakPolarHBondContact O-CB 3.46Å; K640-K643 PolarHBondContact O-N 2.9Å; K640-E644 WeakPolarHBondContact O-CB 2.95Å; K640-E644 PolarHBondContact O-N 2.81Å; K640-P1576 HydrophobicContact CB-CB 4.11Å; K640-P1576 VanDerWaalsContact CB-CD 3.48Å; K640-P1576 HydrophobicContact CB-CG 3.47Å; K640-P1576 VanDerWaalsContact CB-CG 3.47Å; K640-P1576 VanDerWaalsContact CD-C 3.41Å; K640-P1576 HydrophobicContact CD-CB 4.12Å; K640-P1576 HydrophobicContact CD-CG 4.22Å; K640-P1576 VanDerWaalsContact NZ-C 3.31Å; K640-P1576 PolarHBondContact NZ-O 2.86Å; K640-L1577 HydrophobicContact CD-CB 4.49Å; K640-E1580 VanDerWaalsContact CD-OE1 3.24Å; K640-E1580 WeakPolarHBondContact CD-OE1 3.25Å; K640-E1580 WeakPolarHBondContact CE-OE1 3.42Å; K640-E1580 WeakPolarHBondContact CG-OE1 3.28Å; K640-E1580 IonicContact NZ-OE1 2.64Å; K640-E1580 PolarHBondContact NZ-OE1 3.28Å; K640-E1580 IonicContact NZ-OE2 2.98Å; K640-E1580 PolarHBondContact NZ-OE2 2.96Å |
| 641 | S | 65.7 | Low | 62.2 | Low | 8 Ų | 8 | 3.4 Ų | 3.4 | 6% | 0.056 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -63.9 | -13.6 | 160.1 | -168.4 | 0 | 0 | 0 | 0 | 111.7 | R637 L638 K645 Y1603 M1604 | R637-S641 WeakPolarHBondContact O-CA 3.22Å; R637-S641 WeakPolarHBondContact O-CB 3.31Å; R637-S641 PolarHBondContact O-N 3.12Å; L638-S641 CarbonylContact O-C 3.35Å; L638-S641 PolarHBondContact O-N 3.47Å; S641-K645 WeakPolarHBondContact O-CB 3.13Å; S641-Y1603 WeakPolarHBondContact O-CE1 2.74Å; S641-Y1603 PolarHBondContact O-OH 3.46Å; S641-M1604 VanDerWaalsContact CA-SD 3.57Å |
| 642 | H | 66.3 | Low | 62.7 | Low | 13 Ų | 13 | 3.4 Ų | 3.4 | 6% | 0.06 | 2% | 0.017 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 6.7 | 162.9 | -62.1 | -67.9 | 0 | 0 | 0 | 114.3 | E599 K602 L603 Y606 L638 A639 K640 Y1603 | E599-H642 IonicContact OE2-CE1 3.51Å; E599-H642 PolarHBondContact OE2-CE1 3.37Å; E599-H642 IonicContact OE2-ND1 2.67Å; E599-H642 PolarHBondContact OE2-ND1 3.16Å; K602-H642 HydrophobicContact CB-CB 4.2Å; K602-H642 WeakPolarHBondContact CD-CE1 3.36Å; L603-H642 HydrophobicContact CB-CB 4Å; L603-H642 WeakPolarHBondContact CB-O 3.34Å; Y606-H642 AromaticContact CD2-CD2 3.56Å; Y606-H642 AromaticContact CE2-CD2 3.3Å; Y606-H642 WeakPolarHBondContact CE2-CD2 2.98Å; Y606-H642 AromaticContact CE2-NE2 3.55Å; L638-H642 PolarHBondContact O-CD2 3.31Å; L638-H642 PolarHBondContact O-N 2.96Å; A639-H642 CarbonylContact O-C 3.54Å; A639-H642 VanDerWaalsContact O-CA 3.23Å; A639-H642 WeakPolarHBondContact O-CA 3.48Å; A639-H642 WeakPolarHBondContact O-CB 3.25Å; A639-H642 PolarHBondContact O-N 2.94Å; K640-H642 PolarHBondContact O-N 3.07Å; H642-Y1603 WeakPolarHBondContact CA-OH 3.4Å; H642-Y1603 PolarHBondContact O-OH 3Å; H642-Y1603 VanDerWaalsContact O-OH 3.09Å |
| 643 | K | 66.2 | Low | 62.7 | Low | 9 Ų | 9 | 3.4 Ų | 3.4 | 4% | 0.039 | 2% | 0.017 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -40.2 | 170 | -177.1 | -80.7 | -175.6 | 179.6 | 0 | 110.3 | L603 A639 K640 N647 S1482 L1483 K1484 E1580 Y1603 | L603-K643 HydrophobicContact CD1-CB 3.82Å; A639-K643 PolarHBondContact O-N 3.25Å; K640-K643 VanDerWaalsContact C-N 3.32Å; K640-K643 VanDerWaalsContact CA-CB 3.47Å; K640-K643 HydrophobicContact CB-CB 4.17Å; K640-K643 HydrophobicContact CG-CB 4.14Å; K640-K643 HydrophobicContact CG-CG 4.46Å; K640-K643 CarbonylContact O-C 3.07Å; K640-K643 WeakPolarHBondContact O-CA 3.32Å; K640-K643 WeakPolarHBondContact O-CB 3.46Å; K640-K643 PolarHBondContact O-N 2.9Å; K643-N647 PolarHBondContact O-ND2 3.19Å; K643-S1482 PolarHBondContact NZ-OG 2.81Å; K643-L1483 VanDerWaalsContact CE-O 3.24Å; K643-L1483 WeakPolarHBondContact CE-O 3.39Å; K643-L1483 VanDerWaalsContact NZ-C 3.35Å; K643-L1483 PolarHBondContact NZ-O 2.96Å; K643-K1484 VanDerWaalsContact CD-O 3.28Å; K643-K1484 WeakPolarHBondContact CD-O 3.15Å; K643-K1484 WeakPolarHBondContact CE-O 3.21Å; K643-K1484 WeakPolarHBondContact CG-O 2.77Å; K643-K1484 CarbonylContact O-C 3.47Å; K643-E1580 IonicContact NZ-OE2 2.96Å; K643-Y1603 PolarHBondContact N-OH 3.07Å; K643-Y1603 VanDerWaalsContact N-OH 3.16Å; K643-Y1603 WeakPolarHBondContact O-CE2 2.95Å |
| 644 | E | 65 | Low | 62.4 | Low | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.029 | C | C | . | . | S | Bend | trans | -78.5 | -71.7 | 170.7 | -63.1 | -109.4 | 119.8 | 0 | 0 | 125.3 | K640 C646 N647 S1482 L1483 E1580 R1602 Y1603 M1604 L1646 | K640-E644 WeakPolarHBondContact O-CB 2.95Å; K640-E644 PolarHBondContact O-N 2.81Å; E644-C646 CarbonylContact O-C 3.55Å; E644-C646 PolarHBondContact O-N 2.88Å; E644-N647 PolarHBondContact O-N 2.92Å; E644-S1482 WeakPolarHBondContact OE1-CB 3.13Å; E644-S1482 PolarHBondContact OE1-OG 2.85Å; E644-S1482 PolarHBondContact OE2-OG 3.49Å; E644-L1483 PolarHBondContact OE1-N 2.97Å; E644-E1580 HydrophobicContact CG-CG 4.26Å; E644-E1580 VanDerWaalsContact OE2-CG 3.27Å; E644-E1580 WeakPolarHBondContact OE2-CG 3.09Å; E644-R1602 IonicContact OE2-NH1 3.22Å; E644-R1602 PolarHBondContact OE2-NH1 3.39Å; E644-Y1603 VanDerWaalsContact C-CB 3.45Å; E644-Y1603 WeakPolarHBondContact CA-OH 3.08Å; E644-Y1603 HydrophobicContact CB-CD1 2.64Å; E644-Y1603 HydrophobicContact CB-CD2 3.49Å; E644-Y1603 VanDerWaalsContact CB-CD2 3.49Å; E644-Y1603 HydrophobicContact CB-CE1 3.04Å; E644-Y1603 HydrophobicContact CB-CE2 3.87Å; E644-Y1603 HydrophobicContact CB-CG 2.89Å; E644-Y1603 HydrophobicContact CG-CD1 4.12Å; E644-Y1603 HydrophobicContact CG-CD2 4.29Å; E644-Y1603 HydrophobicContact CG-CE1 4.5Å; E644-Y1603 HydrophobicContact CG-CG 3.98Å; E644-Y1603 PolarHBondContact N-OH 2.89Å; E644-Y1603 VanDerWaalsContact N-OH 3.12Å; E644-Y1603 WeakPolarHBondContact O-CD1 3.23Å; E644-Y1603 WeakPolarHBondContact O-CD2 3.29Å; E644-Y1603 WeakPolarHBondContact O-CE2 3.17Å; E644-Y1603 WeakPolarHBondContact OE2-CA 3.37Å; E644-M1604 HydrophobicContact CB-CB 4.2Å; E644-M1604 HydrophobicContact CB-CE 3.28Å; E644-M1604 HydrophobicContact CB-CG 3.45Å; E644-M1604 VanDerWaalsContact CB-CG 3.45Å; E644-M1604 HydrophobicContact CB-SD 3.81Å; E644-M1604 HydrophobicContact CG-CE 3.31Å; E644-M1604 HydrophobicContact CG-SD 4.39Å; E644-M1604 VanDerWaalsContact OE2-CE 3.29Å; E644-M1604 WeakPolarHBondContact OE2-CE 3.42Å; E644-M1604 PolarHBondContact OE2-N 3.24Å; E644-L1646 WeakPolarHBondContact O-CD1 3.41Å |
| 645 | K | 65.9 | Low | 61.9 | Low | 20 Ų | 20 | 5.7 Ų | 5.7 | 9% | 0.087 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | 9.1 | 27.9 | 94.6 | -54.1 | 153.5 | 166.3 | 71.7 | 0 | 116.2 | E599 S641 M649 Y1603 D1605 D1606 L1646 | E599-K645 VanDerWaalsContact CB-O 3.26Å; E599-K645 WeakPolarHBondContact CB-O 3.34Å; E599-K645 WeakPolarHBondContact CG-O 3.12Å; S641-K645 WeakPolarHBondContact O-CB 3.13Å; K645-M649 WeakPolarHBondContact O-CE 3.47Å; K645-Y1603 WeakPolarHBondContact CA-OH 3.12Å; K645-Y1603 HydrophobicContact CB-CD1 4.32Å; K645-Y1603 HydrophobicContact CB-CE1 3.33Å; K645-Y1603 HydrophobicContact CD-CE1 4.3Å; K645-Y1603 HydrophobicContact CG-CD1 4.33Å; K645-Y1603 HydrophobicContact CG-CE1 3.84Å; K645-Y1603 PolarHBondContact O-OH 2.96Å; K645-D1605 WeakPolarHBondContact CE-OD1 3.37Å; K645-D1605 WeakPolarHBondContact CE-OD2 3.47Å; K645-D1605 IonicContact NZ-OD1 3.54Å; K645-D1605 PolarHBondContact NZ-OD1 3.32Å; K645-D1605 IonicContact NZ-OD2 2.63Å; K645-D1605 PolarHBondContact NZ-OD2 3.13Å; K645-D1606 IonicContact NZ-OD1 2.56Å; K645-D1606 PolarHBondContact NZ-OD1 3.14Å; K645-D1606 IonicContact NZ-OD2 2.63Å; K645-D1606 PolarHBondContact NZ-OD2 3.27Å; K645-L1646 HydrophobicContact CB-CD2 4Å; K645-L1646 HydrophobicContact CD-CD2 4.22Å; K645-L1646 HydrophobicContact CG-CD1 4.32Å; K645-L1646 HydrophobicContact CG-CD2 3.15Å; K645-L1646 HydrophobicContact CG-CG 4.22Å | |
| 646 | C | 62.8 | Low | 62 | Low | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -176.2 | -36.5 | -176.6 | -154 | 0 | 0 | 0 | 0 | 113.6 | I596 E599 K600 E644 M649 T1486 Y1603 | I596-C646 PolarHBondContact O-SG 3.15Å; I596-C646 VanDerWaalsContact O-SG 3.39Å; E599-C646 HydrophobicContact CB-CB 3.99Å; K600-C646 PolarHBondContact N-SG 3.36Å; K600-C646 VanDerWaalsContact N-SG 3.37Å; E644-C646 CarbonylContact O-C 3.55Å; E644-C646 PolarHBondContact O-N 2.88Å; C646-M649 HydrophobicContact CB-CE 4.36Å; C646-M649 WeakPolarHBondContact O-CG 3.34Å; C646-M649 PolarHBondContact O-N 3Å; C646-M649 VanDerWaalsContact O-N 3.14Å; C646-T1486 WeakPolarHBondContact O-CA 3.4Å; C646-T1486 WeakPolarHBondContact O-CB 3.28Å; C646-T1486 WeakPolarHBondContact O-CG2 3.43Å; C646-T1486 PolarHBondContact O-N 2.84Å; C646-T1486 PolarHBondContact O-OG1 3.06Å; C646-T1486 PolarHBondContact SG-OG1 2.93Å; C646-Y1603 VanDerWaalsContact C-CE2 3.48Å; C646-Y1603 VanDerWaalsContact CA-CE2 3.42Å; C646-Y1603 HydrophobicContact CB-CE2 3.42Å; C646-Y1603 VanDerWaalsContact CB-CE2 3.42Å; C646-Y1603 WeakPolarHBondContact CB-OH 3.46Å; C646-Y1603 PolarHBondContact N-OH 2.72Å; C646-Y1603 VanDerWaalsContact N-OH 3.14Å |
| 647 | N | 64.4 | Low | 61.9 | Low | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.036 | C | C | . | . | G | 310 helix | trans | -76.2 | -53.1 | -174 | -78.3 | -99.1 | 0 | 0 | 0 | 112.9 | K643 E644 M649 L650 L1483 K1484 D1485 T1486 L1489 Y1603 | K643-N647 PolarHBondContact O-ND2 3.19Å; E644-N647 PolarHBondContact O-N 2.92Å; N647-M649 PolarHBondContact O-N 3.38Å; N647-L650 PolarHBondContact O-N 3.29Å; N647-L1483 HydrophobicContact CB-CB 3.51Å; N647-L1483 HydrophobicContact CB-CD1 3.8Å; N647-L1483 HydrophobicContact CB-CG 4.32Å; N647-L1483 PolarHBondContact ND2-O 3.04Å; N647-L1483 WeakPolarHBondContact OD1-CB 3.22Å; N647-K1484 PolarHBondContact OD1-N 3.32Å; N647-D1485 VanDerWaalsContact CG-CA 3.47Å; N647-D1485 WeakPolarHBondContact ND2-CA 3.05Å; N647-D1485 PolarHBondContact ND2-N 3.09Å; N647-D1485 VanDerWaalsContact ND2-N 3.12Å; N647-D1485 WeakPolarHBondContact OD1-CA 3.4Å; N647-D1485 PolarHBondContact OD1-N 2.9Å; N647-D1485 PolarHBondContact OD1-O 3.38Å; N647-T1486 WeakPolarHBondContact O-CA 3.49Å; N647-L1489 HydrophobicContact CB-CB 3.94Å; N647-L1489 HydrophobicContact CB-CD2 4.24Å; N647-Y1603 HydrophobicContact CB-CD2 3.43Å; N647-Y1603 VanDerWaalsContact CB-CD2 3.43Å; N647-Y1603 HydrophobicContact CB-CE2 4.12Å; N647-Y1603 WeakPolarHBondContact ND2-CD2 3.36Å; N647-Y1603 WeakPolarHBondContact ND2-CE2 3.43Å |
| 648 | D | 56.6 | Low | 61.2 | Low | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.055 | C | C | . | . | G | 310 helix | trans | -72.1 | 64.1 | 151.7 | 41.9 | -50.4 | 0 | 0 | 0 | 108.7 | L1489 F1645 L1646 D1647 I1648 | D648-L1489 HydrophobicContact CB-CD2 3.6Å; D648-L1489 VanDerWaalsContact N-CD2 3.31Å; D648-F1645 HydrophobicContact CB-CB 3.83Å; D648-F1645 HydrophobicContact CB-CD1 3.06Å; D648-F1645 HydrophobicContact CB-CD2 4.41Å; D648-F1645 HydrophobicContact CB-CE1 3.46Å; D648-F1645 VanDerWaalsContact CB-CE1 3.46Å; D648-F1645 HydrophobicContact CB-CG 3.54Å; D648-F1645 HydrophobicContact CB-CZ 4.28Å; D648-F1645 VanDerWaalsContact CG-CZ 3.43Å; D648-F1645 WeakPolarHBondContact OD1-CE1 3.4Å; D648-F1645 WeakPolarHBondContact OD1-CZ 3.07Å; D648-F1645 WeakPolarHBondContact OD2-CB 3.44Å; D648-F1645 WeakPolarHBondContact OD2-CD1 3.3Å; D648-F1645 WeakPolarHBondContact OD2-CD2 3.29Å; D648-F1645 WeakPolarHBondContact OD2-CE1 3.2Å; D648-F1645 VanDerWaalsContact OD2-CE2 3.27Å; D648-F1645 WeakPolarHBondContact OD2-CE2 3.14Å; D648-F1645 WeakPolarHBondContact OD2-CG 3.48Å; D648-F1645 WeakPolarHBondContact OD2-CZ 3.34Å; D648-L1646 HydrophobicContact CB-CB 4.37Å; D648-L1646 VanDerWaalsContact CG-CD1 3.42Å; D648-L1646 WeakPolarHBondContact O-CB 3.09Å; D648-L1646 WeakPolarHBondContact OD1-CD1 3.49Å; D648-L1646 WeakPolarHBondContact OD2-CB 3.15Å; D648-L1646 WeakPolarHBondContact OD2-CD1 3.39Å; D648-L1646 WeakPolarHBondContact OD2-CG 3.34Å; D648-L1646 PolarHBondContact OD2-N 3.3Å; D648-D1647 PolarHBondContact O-N 3.04Å; D648-I1648 HydrophobicContact CB-CD1 3.77Å; D648-I1648 HydrophobicContact CB-CG1 3.87Å; D648-I1648 WeakPolarHBondContact O-CG1 3.45Å; D648-I1648 PolarHBondContact O-N 3.1Å; D648-I1648 VanDerWaalsContact O-N 3.08Å |
| 649 | M | 66.4 | Low | 60.4 | Low | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | G | 310 helix | -124.4 | 21.3 | 122.6 | -3.1 | -160.8 | -179.2 | 0 | 0 | 114.3 | K595 I596 E599 K645 C646 N647 T1486 D1647 I1648 L1662 | K595-M649 VanDerWaalsContact C-SD 3.53Å; K595-M649 VanDerWaalsContact CA-SD 3.5Å; K595-M649 HydrophobicContact CB-SD 3.48Å; K595-M649 WeakPolarHBondContact CB-SD 3.24Å; I596-M649 VanDerWaalsContact CA-SD 3.6Å; I596-M649 HydrophobicContact CG1-CB 3.86Å; I596-M649 WeakPolarHBondContact CG1-O 3.02Å; I596-M649 PolarHBondContact N-SD 2.94Å; E599-M649 HydrophobicContact CB-CE 3.75Å; E599-M649 HydrophobicContact CG-CE 3.23Å; K645-M649 WeakPolarHBondContact O-CE 3.47Å; C646-M649 HydrophobicContact CB-CE 4.36Å; C646-M649 WeakPolarHBondContact O-CG 3.34Å; C646-M649 PolarHBondContact O-N 3Å; C646-M649 VanDerWaalsContact O-N 3.14Å; N647-M649 PolarHBondContact O-N 3.38Å; M649-T1486 VanDerWaalsContact CA-CG2 3.48Å; M649-T1486 HydrophobicContact CB-CG2 3.63Å; M649-T1486 HydrophobicContact CG-CG2 3.94Å; M649-T1486 WeakPolarHBondContact O-CG2 3.29Å; M649-D1647 HydrophobicContact CE-CB 4.25Å; M649-D1647 WeakPolarHBondContact CE-OD1 3.42Å; M649-D1647 WeakPolarHBondContact CE-OD2 3.43Å; M649-D1647 HydrophobicContact SD-CB 3.74Å; M649-I1648 HydrophobicContact CB-CG2 3.64Å; M649-I1648 VanDerWaalsContact O-CG2 3.26Å; M649-I1648 WeakPolarHBondContact O-CG2 3.09Å; M649-L1662 WeakPolarHBondContact O-CD2 3.49Å | |
| 650 | L | 61.9 | Low | 60.1 | Low | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -133 | -12.7 | -178.3 | -137.9 | 75.3 | 0 | 0 | 0 | 117.9 | I596 N647 K652 L653 T1486 F1487 I1490 L1662 | I596-L650 HydrophobicContact CD1-CD1 3.27Å; I596-L650 HydrophobicContact CG1-CD1 4.19Å; N647-L650 PolarHBondContact O-N 3.29Å; L650-K652 VanDerWaalsContact CA-N 3.32Å; L650-K652 CarbonylContact O-C 3.23Å; L650-K652 PolarHBondContact O-N 3.33Å; L650-L653 HydrophobicContact CD1-CB 3.55Å; L650-L653 HydrophobicContact CD1-CD2 4.23Å; L650-L653 HydrophobicContact CG-CB 3.99Å; L650-L653 PolarHBondContact O-N 3.26Å; L650-T1486 HydrophobicContact CB-CG2 3.52Å; L650-T1486 WeakPolarHBondContact CB-O 3.06Å; L650-T1486 HydrophobicContact CD1-CG2 3.82Å; L650-T1486 VanDerWaalsContact CD2-C 3.5Å; L650-T1486 WeakPolarHBondContact CD2-O 3.32Å; L650-T1486 HydrophobicContact CG-CG2 4.2Å; L650-F1487 HydrophobicContact CD1-CD1 4.19Å; L650-F1487 HydrophobicContact CD1-CE1 4.04Å; L650-F1487 HydrophobicContact CD2-CB 4.23Å; L650-F1487 HydrophobicContact CD2-CD1 3.6Å; L650-F1487 HydrophobicContact CD2-CE1 4.22Å; L650-F1487 HydrophobicContact CD2-CG 4.06Å; L650-I1490 HydrophobicContact CB-CB 3.88Å; L650-I1490 HydrophobicContact CD1-CD1 4.42Å; L650-I1490 HydrophobicContact CD2-CB 3.47Å; L650-I1490 VanDerWaalsContact CD2-CB 3.47Å; L650-I1490 HydrophobicContact CD2-CD1 3.9Å; L650-I1490 HydrophobicContact CD2-CG1 4.35Å; L650-I1490 HydrophobicContact CD2-CG2 3.24Å; L650-I1490 HydrophobicContact CG-CB 3.53Å; L650-I1490 HydrophobicContact CG-CD1 3.61Å; L650-I1490 HydrophobicContact CG-CG1 4.15Å; L650-I1490 HydrophobicContact CG-CG2 3.91Å; L650-I1490 WeakPolarHBondContact O-CA 3.36Å; L650-I1490 WeakPolarHBondContact O-CB 3.47Å; L650-I1490 WeakPolarHBondContact O-CD1 3.3Å; L650-I1490 WeakPolarHBondContact O-CG1 3.38Å; L650-L1662 HydrophobicContact CD1-CD1 4.22Å |
| 651 | N | 55.3 | Low | 59 | Low | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 9.5 | 140.3 | -83.7 | 0.8 | 0 | 0 | 0 | 112.3 | L1489 L1493 L1608 I1648 L1650 R1660 | N651-L1489 HydrophobicContact CB-CD2 3.81Å; N651-L1489 HydrophobicContact CB-CG 4.05Å; N651-L1489 WeakPolarHBondContact ND2-CD1 3.3Å; N651-L1489 WeakPolarHBondContact ND2-CG 3.36Å; N651-L1489 WeakPolarHBondContact OD1-CG 3.28Å; N651-L1489 PolarHBondContact OD1-O 2.78Å; N651-L1493 HydrophobicContact CB-CD1 3.81Å; N651-L1493 VanDerWaalsContact CG-CG 3.46Å; N651-L1493 WeakPolarHBondContact ND2-CD1 3.17Å; N651-L1493 WeakPolarHBondContact OD1-CB 3.41Å; N651-L1493 WeakPolarHBondContact OD1-CD1 3.35Å; N651-L1493 WeakPolarHBondContact OD1-CG 2.99Å; N651-L1608 WeakPolarHBondContact ND2-CD2 3.32Å; N651-I1648 VanDerWaalsContact CA-CD1 3.44Å; N651-I1648 HydrophobicContact CB-CD1 3.44Å; N651-I1648 VanDerWaalsContact CB-CD1 3.44Å; N651-L1650 HydrophobicContact CB-CD2 3.6Å; N651-R1660 WeakPolarHBondContact O-CG 3.28Å |
| 652 | K | 61.4 | Low | 57.9 | Low | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | 29 | 153.9 | -103.2 | -173.4 | 178 | 38.7 | 0 | 119.8 | L592 L650 E655 I1648 L1649 L1650 S1651 R1659 R1660 R1661 L1662 | L592-K652 HydrophobicContact CD2-CB 4.29Å; L592-K652 HydrophobicContact CD2-CD 3.33Å; L592-K652 HydrophobicContact CD2-CG 4.3Å; L650-K652 VanDerWaalsContact CA-N 3.32Å; L650-K652 CarbonylContact O-C 3.23Å; L650-K652 PolarHBondContact O-N 3.33Å; K652-E655 WeakPolarHBondContact CG-OE2 3.4Å; K652-E655 IonicContact NZ-OE1 2.92Å; K652-E655 IonicContact NZ-OE2 3.49Å; K652-E655 PolarHBondContact NZ-OE2 2.97Å; K652-I1648 HydrophobicContact CB-CB 3.52Å; K652-I1648 HydrophobicContact CB-CD1 4.03Å; K652-I1648 HydrophobicContact CB-CG1 4.31Å; K652-I1648 HydrophobicContact CB-CG2 3.04Å; K652-I1648 HydrophobicContact CD-CB 4.09Å; K652-I1648 HydrophobicContact CD-CG2 4.27Å; K652-I1648 HydrophobicContact CG-CB 4.07Å; K652-I1648 HydrophobicContact CG-CG2 4.05Å; K652-L1649 HydrophobicContact CD-CB 4.11Å; K652-L1649 WeakPolarHBondContact CD-O 3.29Å; K652-L1649 WeakPolarHBondContact CE-O 3.31Å; K652-L1649 WeakPolarHBondContact CG-O 3.03Å; K652-L1649 PolarHBondContact NZ-O 2.97Å; K652-L1650 PolarHBondContact NZ-O 3.32Å; K652-S1651 VanDerWaalsContact CE-OG 3.3Å; K652-S1651 WeakPolarHBondContact CE-OG 3.19Å; K652-S1651 VanDerWaalsContact NZ-CB 3.31Å; K652-S1651 PolarHBondContact NZ-OG 3.4Å; K652-R1659 WeakPolarHBondContact CE-O 3.21Å; K652-R1659 PolarHBondContact NZ-O 3.14Å; K652-R1660 VanDerWaalsContact C-C 3.42Å; K652-R1660 VanDerWaalsContact C-CA 3.45Å; K652-R1660 VanDerWaalsContact CA-CA 3.41Å; K652-R1660 HydrophobicContact CB-CB 4.3Å; K652-R1660 HydrophobicContact CB-CG 4.45Å; K652-R1660 VanDerWaalsContact CG-CA 3.43Å; K652-R1660 HydrophobicContact CG-CB 4.42Å; K652-R1660 CarbonylContact O-C 3.58Å; K652-R1660 WeakPolarHBondContact O-CA 2.84Å; K652-R1660 WeakPolarHBondContact O-CB 3.45Å; K652-R1661 HydrophobicContact CD-CB 3.89Å; K652-R1661 HydrophobicContact CD-CG 4.28Å; K652-R1661 HydrophobicContact CG-CB 4.4Å; K652-R1661 PolarHBondContact O-N 2.82Å; K652-L1662 HydrophobicContact CB-CD2 4.05Å; K652-L1662 WeakPolarHBondContact O-CD1 3.45Å; K652-L1662 WeakPolarHBondContact O-CD2 3.2Å; K652-L1662 WeakPolarHBondContact O-CG 3.22Å |
| 653 | L | 60.6 | Low | 57.1 | Low | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -36.8 | 152.8 | -160.4 | 49.7 | 0 | 0 | 0 | 122.4 | L589 L650 I1490 R1660 L1662 N1750 | L589-L653 HydrophobicContact CD2-CD1 4.44Å; L650-L653 HydrophobicContact CD1-CB 3.55Å; L650-L653 HydrophobicContact CD1-CD2 4.23Å; L650-L653 HydrophobicContact CG-CB 3.99Å; L650-L653 PolarHBondContact O-N 3.26Å; L653-I1490 VanDerWaalsContact C-CD1 3.41Å; L653-I1490 VanDerWaalsContact CA-CD1 3.48Å; L653-I1490 HydrophobicContact CB-CD1 3.36Å; L653-I1490 HydrophobicContact CG-CD1 4.37Å; L653-R1660 VanDerWaalsContact N-CB 3.28Å; L653-L1662 VanDerWaalsContact CA-CD1 3.47Å; L653-L1662 HydrophobicContact CB-CD1 3.23Å; L653-L1662 HydrophobicContact CD1-CB 4.37Å; L653-L1662 HydrophobicContact CD1-CD1 3.51Å; L653-L1662 HydrophobicContact CD1-CG 4.41Å; L653-L1662 HydrophobicContact CD2-CD1 4.15Å; L653-L1662 HydrophobicContact CG-CD1 3.73Å; L653-N1750 HydrophobicContact CD1-CB 3.76Å; L653-N1750 WeakPolarHBondContact CD1-ND2 2.72Å; L653-N1750 HydrophobicContact CD2-CB 4.17Å; L653-N1750 HydrophobicContact CG-CB 3.95Å; L653-N1750 VanDerWaalsContact CG-CG 3.42Å; L653-N1750 WeakPolarHBondContact CG-OD1 2.81Å; L653-N1750 PolarHBondContact O-ND2 2.93Å |
| 654 | I | 55.2 | Low | 56.3 | Low | 48 Ų | 48 | 18.3 Ų | 18.3 | 25% | 0.246 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -81.1 | -66.3 | 179.9 | -86.6 | 165 | 0 | 0 | 0 | 113.8 | L656 H657 I1490 R1660 | I654-L656 PolarHBondContact O-N 2.87Å; I654-H657 WeakPolarHBondContact O-CA 3.41Å; I654-H657 WeakPolarHBondContact O-CB 3.26Å; I654-H657 PolarHBondContact O-N 3.29Å; I654-I1490 HydrophobicContact CB-CD1 3.79Å; I654-I1490 HydrophobicContact CB-CG1 3.74Å; I654-I1490 HydrophobicContact CD1-CD1 4.18Å; I654-I1490 HydrophobicContact CD1-CG1 3.98Å; I654-I1490 HydrophobicContact CG1-CD1 3.78Å; I654-I1490 HydrophobicContact CG1-CG1 3.96Å; I654-R1660 VanDerWaalsContact C-CB 3.43Å; I654-R1660 VanDerWaalsContact CG2-NH1 3.27Å |
| 655 | E | 50.9 | Low | 55.3 | Low | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -16.3 | -61.5 | 169.9 | 35.8 | 119.7 | 72.7 | 0 | 0 | 116.2 | K652 H657 T658 S1651 R1653 I1658 R1659 R1660 | K652-E655 WeakPolarHBondContact CG-OE2 3.4Å; K652-E655 IonicContact NZ-OE1 2.92Å; K652-E655 IonicContact NZ-OE2 3.49Å; K652-E655 PolarHBondContact NZ-OE2 2.97Å; E655-H657 VanDerWaalsContact C-N 3.26Å; E655-H657 PolarHBondContact O-N 2.98Å; E655-T658 PolarHBondContact O-N 3.17Å; E655-T658 PolarHBondContact O-OG1 2.88Å; E655-S1651 PolarHBondContact OE1-N 2.6Å; E655-R1653 PolarHBondContact O-NH1 2.91Å; E655-R1653 PolarHBondContact O-NH2 3.41Å; E655-I1658 CarbonylContact C-O 3.6Å; E655-I1658 VanDerWaalsContact C-O 3.29Å; E655-I1658 WeakPolarHBondContact CA-O 3.43Å; E655-I1658 VanDerWaalsContact CB-CA 3.47Å; E655-I1658 HydrophobicContact CB-CB 3.53Å; E655-I1658 HydrophobicContact CB-CG2 4.13Å; E655-I1658 WeakPolarHBondContact CB-O 3.39Å; E655-I1658 HydrophobicContact CG-CB 3.42Å; E655-I1658 VanDerWaalsContact CG-CB 3.42Å; E655-I1658 HydrophobicContact CG-CG2 3.38Å; E655-I1658 VanDerWaalsContact O-O 3.11Å; E655-I1658 WeakPolarHBondContact OE1-CG2 3.1Å; E655-R1659 VanDerWaalsContact CB-CA 3.48Å; E655-R1659 WeakPolarHBondContact OE1-CA 3.47Å; E655-R1659 PolarHBondContact OE1-N 2.81Å; E655-R1660 HydrophobicContact CB-CB 3.49Å; E655-R1660 VanDerWaalsContact CB-CB 3.49Å; E655-R1660 HydrophobicContact CB-CG 3.55Å; E655-R1660 HydrophobicContact CG-CB 3.37Å; E655-R1660 VanDerWaalsContact CG-CD 3.5Å; E655-R1660 HydrophobicContact CG-CG 3.05Å; E655-R1660 WeakPolarHBondContact OE2-CA 3.22Å; E655-R1660 PolarHBondContact OE2-N 3.3Å |
| 656 | L | 59.3 | Low | 54 | Low | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71.5 | -32.4 | -169.6 | -162.9 | 162 | 0 | 0 | 0 | 109.8 | E588 L589 I654 T658 Q659 A660 R1653 R1659 R1660 R1661 | E588-L656 HydrophobicContact CB-CD1 4.18Å; L589-L656 HydrophobicContact CB-CD1 4.3Å; L589-L656 HydrophobicContact CB-CD2 3.94Å; L589-L656 HydrophobicContact CD1-CB 4.22Å; L589-L656 HydrophobicContact CD1-CD2 3.98Å; I654-L656 PolarHBondContact O-N 2.87Å; L656-T658 PolarHBondContact O-N 2.86Å; L656-T658 VanDerWaalsContact O-N 3.07Å; L656-Q659 PolarHBondContact O-N 3.5Å; L656-A660 HydrophobicContact CD2-CB 3.53Å; L656-A660 WeakPolarHBondContact O-CB 3.29Å; L656-A660 PolarHBondContact O-N 3.45Å; L656-R1653 PolarHBondContact O-NH2 2.95Å; L656-R1659 HydrophobicContact CB-CG 3.89Å; L656-R1659 HydrophobicContact CD1-CG 3.97Å; L656-R1659 HydrophobicContact CG-CG 3.59Å; L656-R1660 WeakPolarHBondContact CB-O 3.46Å; L656-R1660 VanDerWaalsContact N-CB 3.33Å; L656-R1660 PolarHBondContact N-O 3.44Å; L656-R1661 HydrophobicContact CD1-CB 3.63Å |
| 657 | H | 58.1 | Low | 53.1 | Low | 43 Ų | 43 | 23.9 Ų | 23.9 | 20% | 0.199 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -46.1 | -33.1 | 170.4 | -148.7 | 7.9 | 0 | 0 | 0 | 111.7 | L589 I654 E655 A660 S661 M676 S1749 N1750 | L589-H657 HydrophobicContact CD1-CB 4.34Å; I654-H657 WeakPolarHBondContact O-CA 3.41Å; I654-H657 WeakPolarHBondContact O-CB 3.26Å; I654-H657 PolarHBondContact O-N 3.29Å; E655-H657 VanDerWaalsContact C-N 3.26Å; E655-H657 PolarHBondContact O-N 2.98Å; H657-A660 CarbonylContact O-C 3.42Å; H657-S661 WeakPolarHBondContact O-CA 3.44Å; H657-S661 WeakPolarHBondContact O-CB 3.31Å; H657-S661 PolarHBondContact O-N 2.89Å; H657-M676 WeakPolarHBondContact CE1-CE 3.3Å; H657-M676 WeakPolarHBondContact ND1-CE 3.28Å; H657-S1749 PolarHBondContact CE1-O 2.95Å; H657-S1749 PolarHBondContact NE2-O 3.02Å; H657-N1750 PolarHBondContact CD2-ND2 3.48Å; H657-N1750 VanDerWaalsContact CG-ND2 3.31Å |
| 658 | T | 48.2 | Very low | 51.9 | Low | 63 Ų | 63 | 27.2 Ų | 27.2 | 39% | 0.387 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -70.5 | -60.2 | 178.4 | 8.4 | 0 | 0 | 0 | 0 | 114.7 | E655 L656 A660 S661 R1653 T1657 | E655-T658 PolarHBondContact O-N 3.17Å; E655-T658 PolarHBondContact O-OG1 2.88Å; L656-T658 PolarHBondContact O-N 2.86Å; L656-T658 VanDerWaalsContact O-N 3.07Å; T658-A660 VanDerWaalsContact C-N 3.3Å; T658-A660 PolarHBondContact O-N 2.84Å; T658-S661 WeakPolarHBondContact O-CA 3.26Å; T658-S661 WeakPolarHBondContact O-CB 3.05Å; T658-S661 PolarHBondContact O-N 3.26Å; T658-R1653 PolarHBondContact OG1-NH1 3.31Å; T658-T1657 PolarHBondContact OG1-OG1 3.36Å |
| 659 | Q | 47.2 | Very low | 51.1 | Low | 59 Ų | 59 | 29 Ų | 29 | 28% | 0.276 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.8 | -36.1 | 168.5 | -73.7 | 159.9 | -26.5 | 0 | 0 | 112.5 | L656 S661 C662 R1653 D1654 | L656-Q659 PolarHBondContact O-N 3.5Å; Q659-S661 PolarHBondContact O-N 2.84Å; Q659-C662 PolarHBondContact O-N 2.93Å; Q659-R1653 VanDerWaalsContact OE1-NH2 3.1Å; Q659-D1654 PolarHBondContact NE2-OD2 2.95Å; Q659-D1654 VanDerWaalsContact NE2-OD2 3.08Å |
| 660 | A | 55.5 | Low | 49.6 | Very low | 7 Ų | 7 | 33 Ų | 33 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.4 | -17.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L589 L656 H657 T658 C662 V663 L664 | L589-A660 HydrophobicContact CD1-CB 4.32Å; L656-A660 HydrophobicContact CD2-CB 3.53Å; L656-A660 WeakPolarHBondContact O-CB 3.29Å; L656-A660 PolarHBondContact O-N 3.45Å; H657-A660 CarbonylContact O-C 3.42Å; T658-A660 VanDerWaalsContact C-N 3.3Å; T658-A660 PolarHBondContact O-N 2.84Å; A660-C662 PolarHBondContact O-N 2.82Å; A660-V663 PolarHBondContact O-N 2.86Å; A660-L664 HydrophobicContact CB-CD1 4.26Å; A660-L664 WeakPolarHBondContact O-CA 3.26Å; A660-L664 WeakPolarHBondContact O-CB 3.28Å; A660-L664 WeakPolarHBondContact O-CD1 3.3Å; A660-L664 WeakPolarHBondContact O-CG 3.31Å; A660-L664 PolarHBondContact O-N 3.32Å |
| 661 | S | 45.9 | Very low | 48.7 | Very low | 59 Ų | 59 | 35 Ų | 35 | 41% | 0.413 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.3 | -35.1 | 177.4 | -160 | 0 | 0 | 0 | 0 | 111.4 | H657 T658 Q659 L664 S665 | H657-S661 WeakPolarHBondContact O-CA 3.44Å; H657-S661 WeakPolarHBondContact O-CB 3.31Å; H657-S661 PolarHBondContact O-N 2.89Å; T658-S661 WeakPolarHBondContact O-CA 3.26Å; T658-S661 WeakPolarHBondContact O-CB 3.05Å; T658-S661 PolarHBondContact O-N 3.26Å; Q659-S661 PolarHBondContact O-N 2.84Å; S661-L664 CarbonylContact O-C 3.48Å; S661-L664 WeakPolarHBondContact O-CB 3.32Å; S661-L664 PolarHBondContact O-N 3.13Å; S661-S665 PolarHBondContact O-N 3.22Å; S661-S665 PolarHBondContact O-OG 2.81Å |
| 662 | C | 43.5 | Very low | 48 | Very low | 52 Ų | 52 | 36.1 Ų | 36.1 | 35% | 0.351 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -72.6 | -51.2 | 178.9 | -153.7 | 0 | 0 | 0 | 0 | 112.1 | Q659 A660 L664 S665 N666 D949 | Q659-C662 PolarHBondContact O-N 2.93Å; A660-C662 PolarHBondContact O-N 2.82Å; C662-L664 PolarHBondContact O-N 3.29Å; C662-L664 VanDerWaalsContact O-N 3.11Å; C662-S665 WeakPolarHBondContact CA-OG 3.17Å; C662-S665 PolarHBondContact O-N 3.06Å; C662-S665 PolarHBondContact O-OG 2.7Å; C662-N666 PolarHBondContact O-N 2.88Å; C662-N666 VanDerWaalsContact O-N 3.14Å; C662-D949 VanDerWaalsContact SG-CG 3.52Å; C662-D949 PolarHBondContact SG-OD2 3.08Å |
| 663 | V | 48.6 | Very low | 47.1 | Very low | 27 Ų | 27 | 36.1 Ų | 36.1 | 16% | 0.164 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.7 | -27.3 | 170.8 | -176 | 0 | 0 | 0 | 0 | 111.2 | A660 L667 F945 | A660-V663 PolarHBondContact O-N 2.86Å; V663-L667 VanDerWaalsContact O-CD1 3.31Å; V663-L667 WeakPolarHBondContact O-CD1 3.29Å; V663-L667 WeakPolarHBondContact O-CG 3.3Å; V663-F945 HydrophobicContact CG1-CE1 4.42Å; V663-F945 HydrophobicContact CG2-CD1 3.67Å; V663-F945 HydrophobicContact CG2-CE1 4.08Å |
| 664 | L | 49.7 | Very low | 46.2 | Very low | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -78 | -41.1 | 170.7 | -73.8 | 167.6 | 0 | 0 | 0 | 112.4 | A660 S661 C662 L667 R672 F675 M676 S1752 | A660-L664 HydrophobicContact CB-CD1 4.26Å; A660-L664 WeakPolarHBondContact O-CA 3.26Å; A660-L664 WeakPolarHBondContact O-CB 3.28Å; A660-L664 WeakPolarHBondContact O-CD1 3.3Å; A660-L664 WeakPolarHBondContact O-CG 3.31Å; A660-L664 PolarHBondContact O-N 3.32Å; S661-L664 CarbonylContact O-C 3.48Å; S661-L664 WeakPolarHBondContact O-CB 3.32Å; S661-L664 PolarHBondContact O-N 3.13Å; C662-L664 PolarHBondContact O-N 3.29Å; C662-L664 VanDerWaalsContact O-N 3.11Å; L664-L667 PolarHBondContact O-N 2.91Å; L664-L667 VanDerWaalsContact O-O 3.11Å; L664-R672 HydrophobicContact CB-CG 4.16Å; L664-R672 HydrophobicContact CD2-CG 4.07Å; L664-R672 WeakPolarHBondContact CD2-O 2.82Å; L664-R672 VanDerWaalsContact O-CD 3.23Å; L664-R672 WeakPolarHBondContact O-CD 3.41Å; L664-R672 WeakPolarHBondContact O-CG 3.35Å; L664-R672 PolarHBondContact O-NE 2.81Å; L664-F675 HydrophobicContact CD2-CD1 3.69Å; L664-F675 HydrophobicContact CD2-CE1 4Å; L664-M676 HydrophobicContact CD1-CE 3.66Å; L664-M676 HydrophobicContact CD2-CG 4.3Å; L664-S1752 WeakPolarHBondContact CD2-OG 3.14Å |
| 665 | S | 43.1 | Very low | 46 | Very low | 47 Ų | 47 | 41 Ų | 41 | 33% | 0.329 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.4 | -47.6 | -179.9 | 39.7 | 0 | 0 | 0 | 0 | 111.6 | S661 C662 L667 | S661-S665 PolarHBondContact O-N 3.22Å; S661-S665 PolarHBondContact O-OG 2.81Å; C662-S665 WeakPolarHBondContact CA-OG 3.17Å; C662-S665 PolarHBondContact O-N 3.06Å; C662-S665 PolarHBondContact O-OG 2.7Å; S665-L667 PolarHBondContact O-N 3.46Å; S665-L667 VanDerWaalsContact O-N 3.12Å |
| 666 | N | 39.9 | Very low | 46.2 | Very low | 44 Ų | 44 | 41 Ų | 41 | 24% | 0.235 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -7.2 | 179.7 | -64.2 | -24.6 | 0 | 0 | 0 | 112.9 | C662 D949 | C662-N666 PolarHBondContact O-N 2.88Å; C662-N666 VanDerWaalsContact O-N 3.14Å; N666-D949 PolarHBondContact ND2-OD1 2.99Å |
| 667 | L | 43.3 | Very low | 45.5 | Very low | 46 Ų | 46 | 42 Ų | 42 | 24% | 0.241 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -89 | 114.4 | 163.5 | -72.5 | 171.7 | 0 | 0 | 0 | 110.5 | V663 L664 S665 C671 R672 | V663-L667 VanDerWaalsContact O-CD1 3.31Å; V663-L667 WeakPolarHBondContact O-CD1 3.29Å; V663-L667 WeakPolarHBondContact O-CG 3.3Å; L664-L667 PolarHBondContact O-N 2.91Å; L664-L667 VanDerWaalsContact O-O 3.11Å; S665-L667 PolarHBondContact O-N 3.46Å; S665-L667 VanDerWaalsContact O-N 3.12Å; L667-C671 HydrophobicContact CB-CB 4.12Å; L667-C671 HydrophobicContact CD2-CB 3.9Å; L667-C671 HydrophobicContact CG-CB 4.48Å; L667-R672 HydrophobicContact CB-CG 4.3Å; L667-R672 VanDerWaalsContact O-CD 3.31Å; L667-R672 WeakPolarHBondContact O-CD 3.32Å; L667-R672 WeakPolarHBondContact O-CG 3.41Å |
| 668 | S | 39.2 | Very low | 45.1 | Very low | 71 Ų | 71 | 43.9 Ų | 43.9 | 50% | 0.497 | 24% | 0.243 | S | C | . | . | trans | -40.4 | 145.6 | 168.3 | 69.1 | 0 | 0 | 0 | 0 | 112.5 | L670 C671 R672 | S668-L670 PolarHBondContact O-N 3.19Å; S668-C671 WeakPolarHBondContact O-CA 3.29Å; S668-C671 PolarHBondContact O-N 3.28Å; S668-R672 PolarHBondContact O-N 2.97Å | ||
| 669 | L | 39.6 | Very low | 45.1 | Very low | 36 Ų | 36 | 41 Ų | 41 | 19% | 0.188 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -44 | -36 | -176.9 | -126.3 | 65.4 | 0 | 0 | 0 | 113.3 | L1753 L1754 | L669-L1753 HydrophobicContact CD1-CB 3.75Å; L669-L1753 HydrophobicContact CD1-CD2 4.26Å; L669-L1753 HydrophobicContact CD2-CB 4.04Å; L669-L1753 HydrophobicContact CD2-CD2 4.45Å; L669-L1753 HydrophobicContact CG-CB 3.7Å; L669-L1754 HydrophobicContact CB-CB 3.59Å; L669-L1754 HydrophobicContact CB-CD1 4.32Å; L669-L1754 HydrophobicContact CD2-CB 3.86Å; L669-L1754 HydrophobicContact CD2-CD1 4.19Å; L669-L1754 HydrophobicContact CG-CB 3.66Å; L669-L1754 WeakPolarHBondContact O-CB 3.04Å; L669-L1754 PolarHBondContact O-N 3.25Å |
| 670 | L | 35.9 | Very low | 45 | Very low | 86 Ų | 86 | 38.4 Ų | 38.4 | 45% | 0.45 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.7 | -39.5 | 176.3 | -171.6 | 81.5 | 0 | 0 | 0 | 114.3 | S668 L1754 K1758 | S668-L670 PolarHBondContact O-N 3.19Å; L670-L1754 HydrophobicContact CD1-CD2 4.04Å; L670-K1758 VanDerWaalsContact CD1-CE 3.45Å; L670-K1758 PolarHBondContact O-NZ 2.89Å |
| 671 | C | 41.4 | Very low | 44.7 | Very low | 40 Ų | 40 | 42.3 Ų | 42.3 | 27% | 0.27 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -92.7 | -43.7 | -174.6 | -75.1 | 0 | 0 | 0 | 0 | 112.6 | L667 S668 I673 K674 F675 | L667-C671 HydrophobicContact CB-CB 4.12Å; L667-C671 HydrophobicContact CD2-CB 3.9Å; L667-C671 HydrophobicContact CG-CB 4.48Å; S668-C671 WeakPolarHBondContact O-CA 3.29Å; S668-C671 PolarHBondContact O-N 3.28Å; C671-I673 PolarHBondContact O-N 2.96Å; C671-K674 VanDerWaalsContact O-CB 3.29Å; C671-K674 WeakPolarHBondContact O-CB 3.43Å; C671-K674 PolarHBondContact O-N 2.75Å; C671-F675 PolarHBondContact O-N 3.16Å |
| 672 | R | 41.2 | Very low | 44.8 | Very low | 25 Ų | 25 | 41.3 Ų | 41.3 | 9% | 0.094 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -29.3 | -49.3 | 173.7 | -121.2 | 166.8 | 171.1 | -167.9 | -8.6 | 112.1 | L664 L667 S668 M676 D1113 S1752 | L664-R672 HydrophobicContact CB-CG 4.16Å; L664-R672 HydrophobicContact CD2-CG 4.07Å; L664-R672 WeakPolarHBondContact CD2-O 2.82Å; L664-R672 VanDerWaalsContact O-CD 3.23Å; L664-R672 WeakPolarHBondContact O-CD 3.41Å; L664-R672 WeakPolarHBondContact O-CG 3.35Å; L664-R672 PolarHBondContact O-NE 2.81Å; L667-R672 HydrophobicContact CB-CG 4.3Å; L667-R672 VanDerWaalsContact O-CD 3.31Å; L667-R672 WeakPolarHBondContact O-CD 3.32Å; L667-R672 WeakPolarHBondContact O-CG 3.41Å; S668-R672 PolarHBondContact O-N 2.97Å; R672-M676 WeakPolarHBondContact O-CG 3.41Å; R672-D1113 IonicContact CZ-OD2 2.66Å; R672-D1113 IonicContact NH1-OD2 3.36Å; R672-D1113 PolarHBondContact NH1-OD2 3.45Å; R672-S1752 WeakPolarHBondContact CB-OG 3.19Å; R672-S1752 PolarHBondContact O-OG 3.29Å |
| 673 | I | 43.4 | Very low | 45.3 | Very low | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -117.8 | -0.2 | -170.2 | -145.4 | -154.8 | 0 | 0 | 0 | 113.2 | C671 M676 N677 L1751 S1752 L1753 C1755 R1756 | C671-I673 PolarHBondContact O-N 2.96Å; I673-M676 HydrophobicContact CB-CB 4.41Å; I673-M676 HydrophobicContact CG1-CB 3.59Å; I673-M676 HydrophobicContact CG1-CG 4.31Å; I673-M676 PolarHBondContact O-N 3.37Å; I673-N677 VanDerWaalsContact O-CB 3.3Å; I673-N677 WeakPolarHBondContact O-CB 3.5Å; I673-N677 PolarHBondContact O-N 3.03Å; I673-L1751 HydrophobicContact CD1-CB 3.36Å; I673-L1751 HydrophobicContact CD1-CD1 4.22Å; I673-L1751 HydrophobicContact CD1-CG 4.39Å; I673-L1751 HydrophobicContact CG1-CB 3.45Å; I673-L1751 VanDerWaalsContact CG1-CB 3.45Å; I673-S1752 WeakPolarHBondContact CD1-O 3.35Å; I673-S1752 WeakPolarHBondContact CG1-O 3.35Å; I673-S1752 WeakPolarHBondContact CG2-O 3.46Å; I673-L1753 VanDerWaalsContact CG2-C 3.45Å; I673-C1755 HydrophobicContact CB-CB 3.36Å; I673-C1755 HydrophobicContact CD1-CB 3.85Å; I673-C1755 HydrophobicContact CG1-CB 3.94Å; I673-C1755 HydrophobicContact CG2-CB 4.24Å; I673-C1755 WeakPolarHBondContact O-CB 3.26Å; I673-C1755 PolarHBondContact O-SG 2.81Å; I673-R1756 VanDerWaalsContact CD1-CA 3.4Å; I673-R1756 HydrophobicContact CD1-CB 3.5Å; I673-R1756 HydrophobicContact CD1-CG 4.22Å |
| 674 | K | 41 | Very low | 45.4 | Very low | 129 Ų | 129 | 37.6 Ų | 37.6 | 56% | 0.561 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -58.6 | -48.8 | 160.1 | -128.9 | -179.5 | 168.8 | -165.4 | 0 | 107.7 | C671 F678 | C671-K674 VanDerWaalsContact O-CB 3.29Å; C671-K674 WeakPolarHBondContact O-CB 3.43Å; C671-K674 PolarHBondContact O-N 2.75Å; K674-F678 PolarHBondContact O-N 3.48Å |
| 675 | F | 51.7 | Low | 45.5 | Very low | 22 Ų | 22 | 44.4 Ų | 44.4 | 10% | 0.096 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54.2 | -56.7 | 168.5 | 153 | -124.7 | 0 | 0 | 0 | 110.9 | L586 L589 L664 C671 N677 F678 C679 | L586-F675 HydrophobicContact CB-CD2 3.67Å; L586-F675 HydrophobicContact CB-CE2 3.5Å; L586-F675 HydrophobicContact CB-CG 4.33Å; L586-F675 HydrophobicContact CB-CZ 4.02Å; L586-F675 HydrophobicContact CD1-CB 4.41Å; L586-F675 HydrophobicContact CD1-CD1 4.45Å; L586-F675 HydrophobicContact CD1-CD2 4.17Å; L586-F675 HydrophobicContact CD1-CG 4.06Å; L586-F675 HydrophobicContact CD2-CD1 3.84Å; L586-F675 HydrophobicContact CD2-CD2 4.26Å; L586-F675 HydrophobicContact CD2-CE1 3.63Å; L586-F675 HydrophobicContact CD2-CE2 4.07Å; L586-F675 HydrophobicContact CD2-CG 4.17Å; L586-F675 HydrophobicContact CD2-CZ 3.75Å; L586-F675 HydrophobicContact CG-CD2 4.25Å; L586-F675 HydrophobicContact CG-CE2 4.26Å; L586-F675 HydrophobicContact CG-CG 4.42Å; L586-F675 HydrophobicContact CG-CZ 4.43Å; L586-F675 VanDerWaalsContact O-CE2 3.32Å; L586-F675 WeakPolarHBondContact O-CE2 3.48Å; L589-F675 HydrophobicContact CB-CZ 4.08Å; L589-F675 HydrophobicContact CD2-CZ 3.91Å; L589-F675 HydrophobicContact CG-CZ 4.44Å; L664-F675 HydrophobicContact CD2-CD1 3.69Å; L664-F675 HydrophobicContact CD2-CE1 4Å; C671-F675 PolarHBondContact O-N 3.16Å; F675-N677 PolarHBondContact O-N 3Å; F675-F678 HydrophobicContact CD2-CD1 4.5Å; F675-F678 WeakPolarHBondContact O-CA 3.22Å; F675-F678 WeakPolarHBondContact O-CB 3.35Å; F675-F678 PolarHBondContact O-N 3.25Å; F675-C679 WeakPolarHBondContact CE2-SG 3.49Å; F675-C679 VanDerWaalsContact CZ-SG 3.57Å; F675-C679 PolarHBondContact O-N 2.94Å |
| 676 | M | 53.6 | Low | 45.9 | Very low | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.1 | -33.4 | -172.6 | -58.4 | -85.8 | -124.7 | 0 | 0 | 112.9 | L589 H657 L664 R672 I673 F678 C679 S680 N1750 L1751 | L589-M676 HydrophobicContact CD2-SD 3.89Å; H657-M676 WeakPolarHBondContact CE1-CE 3.3Å; H657-M676 WeakPolarHBondContact ND1-CE 3.28Å; L664-M676 HydrophobicContact CD1-CE 3.66Å; L664-M676 HydrophobicContact CD2-CG 4.3Å; R672-M676 WeakPolarHBondContact O-CG 3.41Å; I673-M676 HydrophobicContact CB-CB 4.41Å; I673-M676 HydrophobicContact CG1-CB 3.59Å; I673-M676 HydrophobicContact CG1-CG 4.31Å; I673-M676 PolarHBondContact O-N 3.37Å; M676-F678 CarbonylContact O-C 3.6Å; M676-F678 PolarHBondContact O-N 2.84Å; M676-C679 CarbonylContact O-C 3.57Å; M676-C679 WeakPolarHBondContact O-CA 3.26Å; M676-C679 WeakPolarHBondContact O-CB 3.28Å; M676-C679 PolarHBondContact O-N 3.23Å; M676-S680 PolarHBondContact O-N 3.33Å; M676-N1750 VanDerWaalsContact CE-C 3.44Å; M676-N1750 WeakPolarHBondContact CE-O 3.24Å; M676-L1751 VanDerWaalsContact CB-CA 3.43Å; M676-L1751 HydrophobicContact CB-CB 3.67Å; M676-L1751 HydrophobicContact CB-CD2 3.65Å; M676-L1751 HydrophobicContact CB-CG 4.27Å; M676-L1751 HydrophobicContact CG-CB 4.49Å; M676-L1751 WeakPolarHBondContact O-CD2 3.25Å |
| 677 | N | 44.9 | Very low | 46.6 | Very low | 23 Ų | 23 | 40.8 Ų | 40.8 | 12% | 0.123 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.8 | -12.3 | 169.7 | -91.9 | 13.5 | 0 | 0 | 0 | 113 | I673 F675 S680 T681 C1755 | I673-N677 VanDerWaalsContact O-CB 3.3Å; I673-N677 WeakPolarHBondContact O-CB 3.5Å; I673-N677 PolarHBondContact O-N 3.03Å; F675-N677 PolarHBondContact O-N 3Å; N677-S680 CarbonylContact O-C 3.59Å; N677-S680 WeakPolarHBondContact O-CA 3.41Å; N677-S680 PolarHBondContact O-N 3.04Å; N677-T681 VanDerWaalsContact O-CB 3.27Å; N677-T681 WeakPolarHBondContact O-CB 3.27Å; N677-T681 PolarHBondContact O-N 3.33Å; N677-T681 PolarHBondContact O-OG1 3.41Å; N677-C1755 HydrophobicContact CB-CB 4.4Å; N677-C1755 PolarHBondContact ND2-O 3.32Å; N677-C1755 PolarHBondContact ND2-SG 2.89Å; N677-C1755 PolarHBondContact OD1-O 3.43Å |
| 678 | F | 49.8 | Very low | 46.9 | Very low | 82 Ų | 82 | 42.6 Ų | 42.6 | 36% | 0.36 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -81.4 | -42.1 | 165 | 153.1 | -87.8 | 0 | 0 | 0 | 111.3 | D587 A590 K674 F675 M676 S680 T681 V682 | D587-F678 WeakPolarHBondContact OD1-CE1 3.46Å; D587-F678 WeakPolarHBondContact OD1-CZ 3.32Å; A590-F678 HydrophobicContact CB-CD1 4.2Å; A590-F678 HydrophobicContact CB-CE1 3.62Å; A590-F678 HydrophobicContact CB-CZ 4.46Å; K674-F678 PolarHBondContact O-N 3.48Å; F675-F678 HydrophobicContact CD2-CD1 4.5Å; F675-F678 WeakPolarHBondContact O-CA 3.22Å; F675-F678 WeakPolarHBondContact O-CB 3.35Å; F675-F678 PolarHBondContact O-N 3.25Å; M676-F678 CarbonylContact O-C 3.6Å; M676-F678 PolarHBondContact O-N 2.84Å; F678-S680 PolarHBondContact O-N 3.14Å; F678-T681 PolarHBondContact O-N 2.94Å; F678-V682 HydrophobicContact CD2-CG2 3.45Å; F678-V682 VanDerWaalsContact CD2-CG2 3.45Å; F678-V682 HydrophobicContact CE1-CG2 4.44Å; F678-V682 HydrophobicContact CE2-CG2 3.35Å; F678-V682 HydrophobicContact CG-CG2 4.06Å; F678-V682 HydrophobicContact CZ-CG2 3.89Å; F678-V682 WeakPolarHBondContact O-CG2 3.41Å; F678-V682 PolarHBondContact O-N 3.22Å |
| 679 | C | 48.7 | Very low | 47.5 | Very low | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.6 | -6.4 | 156.3 | -47.1 | 0 | 0 | 0 | 0 | 113.9 | L589 F675 M676 V683 T1667 | L589-C679 HydrophobicContact CD2-CB 4.42Å; F675-C679 WeakPolarHBondContact CE2-SG 3.49Å; F675-C679 VanDerWaalsContact CZ-SG 3.57Å; F675-C679 PolarHBondContact O-N 2.94Å; M676-C679 CarbonylContact O-C 3.57Å; M676-C679 WeakPolarHBondContact O-CA 3.26Å; M676-C679 WeakPolarHBondContact O-CB 3.28Å; M676-C679 PolarHBondContact O-N 3.23Å; C679-V683 WeakPolarHBondContact O-CG2 3.45Å; C679-T1667 WeakPolarHBondContact O-CG2 3.4Å |
| 680 | S | 46.3 | Very low | 48.1 | Very low | 5 Ų | 5 | 39.3 Ų | 39.3 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | 20.2 | 171.5 | -106.1 | 0 | 0 | 0 | 0 | 114.5 | M676 N677 F678 T1667 L1670 V1747 L1751 | M676-S680 PolarHBondContact O-N 3.33Å; N677-S680 CarbonylContact O-C 3.59Å; N677-S680 WeakPolarHBondContact O-CA 3.41Å; N677-S680 PolarHBondContact O-N 3.04Å; F678-S680 PolarHBondContact O-N 3.14Å; S680-T1667 WeakPolarHBondContact O-CB 3.49Å; S680-T1667 PolarHBondContact O-OG1 3.23Å; S680-L1670 WeakPolarHBondContact OG-CD1 3.38Å; S680-L1670 VanDerWaalsContact OG-CG 3.29Å; S680-L1670 WeakPolarHBondContact OG-CG 3.37Å; S680-V1747 PolarHBondContact OG-O 2.9Å; S680-L1751 WeakPolarHBondContact OG-CD1 3.43Å; S680-L1751 VanDerWaalsContact OG-CD2 3.3Å; S680-L1751 WeakPolarHBondContact OG-CD2 3.45Å |
| 681 | T | 47.5 | Very low | 48.9 | Very low | 90 Ų | 90 | 39.4 Ų | 39.4 | 55% | 0.552 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -134.8 | -29.9 | 168.4 | -57.2 | 0 | 0 | 0 | 0 | 114.4 | N677 F678 T1667 | N677-T681 VanDerWaalsContact O-CB 3.27Å; N677-T681 WeakPolarHBondContact O-CB 3.27Å; N677-T681 PolarHBondContact O-N 3.33Å; N677-T681 PolarHBondContact O-OG1 3.41Å; F678-T681 PolarHBondContact O-N 2.94Å; T681-T1667 WeakPolarHBondContact CA-OG1 3.46Å; T681-T1667 PolarHBondContact N-OG1 2.84Å; T681-T1667 VanDerWaalsContact N-OG1 3.12Å; T681-T1667 PolarHBondContact O-OG1 2.68Å |
| 682 | V | 48.9 | Very low | 49.1 | Very low | 38 Ų | 38 | 40.1 Ų | 40.1 | 23% | 0.23 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -76.2 | -46.6 | 178.6 | -161.4 | 0 | 0 | 0 | 0 | 111.2 | F678 A684 K685 | F678-V682 HydrophobicContact CD2-CG2 3.45Å; F678-V682 VanDerWaalsContact CD2-CG2 3.45Å; F678-V682 HydrophobicContact CE1-CG2 4.44Å; F678-V682 HydrophobicContact CE2-CG2 3.35Å; F678-V682 HydrophobicContact CG-CG2 4.06Å; F678-V682 HydrophobicContact CZ-CG2 3.89Å; F678-V682 WeakPolarHBondContact O-CG2 3.41Å; F678-V682 PolarHBondContact O-N 3.22Å; V682-A684 PolarHBondContact O-N 2.87Å; V682-A684 VanDerWaalsContact O-N 3.17Å; V682-K685 WeakPolarHBondContact O-CB 3.35Å; V682-K685 PolarHBondContact O-N 3.12Å |
| 683 | V | 54.6 | Low | 49.6 | Very low | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 118.6 | -174.4 | -125.9 | 0 | 0 | 0 | 0 | 109.6 | K593 C679 P1663 S1664 C1666 T1667 K1668 | K593-V683 HydrophobicContact CB-CG1 4.43Å; K593-V683 HydrophobicContact CD-CG1 3.33Å; K593-V683 HydrophobicContact CD-CG2 4.35Å; K593-V683 HydrophobicContact CG-CG1 3.07Å; C679-V683 WeakPolarHBondContact O-CG2 3.45Å; V683-P1663 WeakPolarHBondContact CB-O 3.23Å; V683-P1663 WeakPolarHBondContact CG1-O 3.48Å; V683-P1663 WeakPolarHBondContact CG2-O 3.46Å; V683-P1663 PolarHBondContact N-O 2.88Å; V683-S1664 CarbonylContact C-O 3.59Å; V683-S1664 VanDerWaalsContact CA-CA 3.44Å; V683-S1664 WeakPolarHBondContact CA-O 3.41Å; V683-C1666 VanDerWaalsContact C-C 3.42Å; V683-C1666 VanDerWaalsContact CA-N 3.3Å; V683-C1666 HydrophobicContact CB-CB 3.84Å; V683-C1666 HydrophobicContact CG1-CB 3.69Å; V683-C1666 CarbonylContact O-C 3.55Å; V683-T1667 VanDerWaalsContact C-N 3.28Å; V683-T1667 HydrophobicContact CB-CG2 3.16Å; V683-T1667 HydrophobicContact CG2-CG2 2.94Å; V683-T1667 CarbonylContact O-C 3.42Å; V683-T1667 WeakPolarHBondContact O-CA 3.27Å; V683-T1667 VanDerWaalsContact O-CB 3.24Å; V683-T1667 WeakPolarHBondContact O-CB 3.46Å; V683-T1667 WeakPolarHBondContact O-CG2 3.47Å; V683-T1667 PolarHBondContact O-N 3.24Å; V683-T1667 PolarHBondContact O-OG1 2.89Å; V683-K1668 PolarHBondContact O-N 3.33Å |
| 684 | A | 49.5 | Very low | 50 | Low | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | 3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 118 | V682 T686 N687 S1664 S1665 C1666 K1668 | V682-A684 PolarHBondContact O-N 2.87Å; V682-A684 VanDerWaalsContact O-N 3.17Å; A684-T686 VanDerWaalsContact CA-N 3.32Å; A684-T686 PolarHBondContact O-N 2.73Å; A684-N687 HydrophobicContact CB-CB 3.63Å; A684-S1664 VanDerWaalsContact N-C 3.26Å; A684-S1664 PolarHBondContact N-O 3.43Å; A684-S1665 WeakPolarHBondContact CA-O 3.37Å; A684-S1665 WeakPolarHBondContact CB-O 3.34Å; A684-S1665 PolarHBondContact N-O 3.43Å; A684-S1665 VanDerWaalsContact N-O 3.16Å; A684-C1666 WeakPolarHBondContact CB-O 3.23Å; A684-K1668 HydrophobicContact CB-CB 3.36Å; A684-K1668 HydrophobicContact CB-CD 4.08Å; A684-K1668 HydrophobicContact CB-CG 3.62Å; A684-K1668 VanDerWaalsContact CB-N 3.29Å; A684-K1668 WeakPolarHBondContact O-CD 3.37Å; A684-K1668 WeakPolarHBondContact O-CE 3.41Å; A684-K1668 PolarHBondContact O-NZ 3.08Å |
| 685 | K | 51.6 | Low | 50.1 | Low | 148 Ų | 148 | 37.8 Ų | 37.8 | 64% | 0.643 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -6.3 | 136 | -74.5 | -176.9 | 167.7 | -175.7 | 0 | 113.1 | V682 T689 S1664 | V682-K685 WeakPolarHBondContact O-CB 3.35Å; V682-K685 PolarHBondContact O-N 3.12Å; K685-T689 WeakPolarHBondContact O-CB 3.22Å; K685-T689 PolarHBondContact O-OG1 3.44Å; K685-S1664 CarbonylContact C-O 3.46Å; K685-S1664 PolarHBondContact N-O 3.41Å |
| 686 | T | 51.4 | Low | 49.6 | Very low | 7 Ų | 7 | 38.9 Ų | 38.9 | 4% | 0.043 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -48.4 | 154.8 | 26.9 | 0 | 0 | 0 | 0 | 119.6 | C594 A684 H688 T689 T690 S1664 S1665 | C594-T686 WeakPolarHBondContact O-CB 3.5Å; C594-T686 PolarHBondContact O-OG1 2.61Å; A684-T686 VanDerWaalsContact CA-N 3.32Å; A684-T686 PolarHBondContact O-N 2.73Å; T686-H688 PolarHBondContact O-N 3.02Å; T686-T689 CarbonylContact O-C 3.47Å; T686-T689 WeakPolarHBondContact O-CA 3.16Å; T686-T689 WeakPolarHBondContact O-CB 3.47Å; T686-T689 PolarHBondContact O-N 2.92Å; T686-T690 PolarHBondContact O-N 3.08Å; T686-T690 PolarHBondContact O-OG1 2.85Å; T686-S1664 PolarHBondContact N-O 3Å; T686-S1664 PolarHBondContact OG1-O 2.79Å; T686-S1665 WeakPolarHBondContact CB-OG 3.37Å; T686-S1665 WeakPolarHBondContact OG1-CA 3.39Å; T686-S1665 PolarHBondContact OG1-N 3.02Å; T686-S1665 PolarHBondContact OG1-OG 2.9Å |
| 687 | N | 55.9 | Low | 49.4 | Very low | 8 Ų | 8 | 39.1 Ų | 39.1 | 4% | 0.043 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -37.2 | -65.8 | 177.2 | -93.9 | 4.9 | 0 | 0 | 0 | 113.9 | A597 V601 A684 T689 T690 K691 S1665 | A597-N687 VanDerWaalsContact CA-OD1 3.29Å; A597-N687 WeakPolarHBondContact CA-OD1 3.46Å; A597-N687 WeakPolarHBondContact CB-OD1 3.5Å; A597-N687 PolarHBondContact O-OD1 2.92Å; V601-N687 WeakPolarHBondContact CG1-O 3.46Å; V601-N687 HydrophobicContact CG2-CB 3.78Å; A684-N687 HydrophobicContact CB-CB 3.63Å; N687-T689 PolarHBondContact O-N 2.73Å; N687-T690 PolarHBondContact O-N 2.67Å; N687-K691 PolarHBondContact O-N 2.83Å; N687-S1665 WeakPolarHBondContact CB-O 3.37Å; N687-S1665 PolarHBondContact N-O 3.48Å; N687-S1665 VanDerWaalsContact N-O 3.14Å; N687-S1665 PolarHBondContact ND2-O 3.13Å; N687-S1665 PolarHBondContact OD1-O 3.02Å |
| 688 | H | 49.6 | Very low | 48.9 | Very low | 83 Ų | 83 | 38.9 Ų | 38.9 | 38% | 0.384 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.9 | -26.8 | -175 | 176.6 | -47.2 | 0 | 0 | 0 | 110.8 | T686 Q692 K1668 | T686-H688 PolarHBondContact O-N 3.02Å; H688-Q692 PolarHBondContact CE1-NE2 2.94Å; H688-Q692 PolarHBondContact CE1-OE1 2.73Å; H688-Q692 VanDerWaalsContact ND1-CD 3.34Å; H688-Q692 PolarHBondContact ND1-OE1 3.3Å; H688-Q692 WeakPolarHBondContact O-CB 3.3Å; H688-Q692 WeakPolarHBondContact O-CG 3.25Å; H688-Q692 PolarHBondContact O-N 2.87Å; H688-Q692 PolarHBondContact O-OE1 2.99Å; H688-K1668 HydrophobicContact CB-CD 3.81Å |
| 689 | T | 50.8 | Low | 48.5 | Very low | 34 Ų | 34 | 35.5 Ų | 35.5 | 21% | 0.209 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -76.9 | -39.9 | 175.5 | -44 | 0 | 0 | 0 | 0 | 111 | K685 T686 N687 Q692 K693 | K685-T689 WeakPolarHBondContact O-CB 3.22Å; K685-T689 PolarHBondContact O-OG1 3.44Å; T686-T689 CarbonylContact O-C 3.47Å; T686-T689 WeakPolarHBondContact O-CA 3.16Å; T686-T689 WeakPolarHBondContact O-CB 3.47Å; T686-T689 PolarHBondContact O-N 2.92Å; N687-T689 PolarHBondContact O-N 2.73Å; T689-Q692 CarbonylContact O-C 3.4Å; T689-Q692 WeakPolarHBondContact O-CB 3.4Å; T689-Q692 PolarHBondContact O-N 3.38Å; T689-K693 VanDerWaalsContact O-CB 3.29Å; T689-K693 WeakPolarHBondContact O-CB 3.42Å; T689-K693 PolarHBondContact O-N 2.7Å |
| 690 | T | 52.6 | Low | 48.3 | Very low | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.7 | -38.8 | 172.9 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | S598 K602 T686 N687 Q692 K693 L694 | S598-T690 WeakPolarHBondContact O-CG2 3.06Å; S598-T690 PolarHBondContact OG-OG1 3.42Å; K602-T690 HydrophobicContact CG-CG2 3.66Å; T686-T690 PolarHBondContact O-N 3.08Å; T686-T690 PolarHBondContact O-OG1 2.85Å; N687-T690 PolarHBondContact O-N 2.67Å; T690-Q692 VanDerWaalsContact C-N 3.33Å; T690-Q692 PolarHBondContact O-N 3.07Å; T690-K693 CarbonylContact O-C 2.85Å; T690-K693 VanDerWaalsContact O-C 3.27Å; T690-K693 VanDerWaalsContact O-CA 3.26Å; T690-K693 WeakPolarHBondContact O-CA 3.36Å; T690-K693 WeakPolarHBondContact O-CB 3.32Å; T690-K693 PolarHBondContact O-N 2.93Å; T690-L694 WeakPolarHBondContact O-CG 3.32Å; T690-L694 PolarHBondContact O-N 3.39Å |
| 691 | K | 51.6 | Low | 48 | Very low | 87 Ų | 87 | 37 Ų | 37 | 38% | 0.378 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.2 | -45.7 | 172.1 | -134.9 | 155.1 | -172.2 | 173.8 | 0 | 111.3 | V601 E604 N687 K693 L694 | V601-K691 HydrophobicContact CG1-CB 3.55Å; V601-K691 HydrophobicContact CG1-CD 3.71Å; V601-K691 HydrophobicContact CG1-CG 3.52Å; E604-K691 VanDerWaalsContact CD-NZ 3.34Å; E604-K691 IonicContact OE1-NZ 3.5Å; E604-K691 IonicContact OE2-NZ 3.51Å; E604-K691 PolarHBondContact OE2-NZ 3.43Å; N687-K691 PolarHBondContact O-N 2.83Å; K691-K693 PolarHBondContact O-N 2.95Å; K691-L694 PolarHBondContact O-N 3.43Å |
| 692 | Q | 46.9 | Very low | 47.6 | Very low | 55 Ų | 55 | 36.1 Ų | 36.1 | 26% | 0.257 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.7 | -25.1 | 171.3 | -74.4 | 172 | -48.3 | 0 | 0 | 113.2 | H688 T689 T690 L694 S695 N1278 R1359 | H688-Q692 PolarHBondContact CE1-NE2 2.94Å; H688-Q692 PolarHBondContact CE1-OE1 2.73Å; H688-Q692 VanDerWaalsContact ND1-CD 3.34Å; H688-Q692 PolarHBondContact ND1-OE1 3.3Å; H688-Q692 WeakPolarHBondContact O-CB 3.3Å; H688-Q692 WeakPolarHBondContact O-CG 3.25Å; H688-Q692 PolarHBondContact O-N 2.87Å; H688-Q692 PolarHBondContact O-OE1 2.99Å; T689-Q692 CarbonylContact O-C 3.4Å; T689-Q692 WeakPolarHBondContact O-CB 3.4Å; T689-Q692 PolarHBondContact O-N 3.38Å; T690-Q692 VanDerWaalsContact C-N 3.33Å; T690-Q692 PolarHBondContact O-N 3.07Å; Q692-L694 VanDerWaalsContact C-N 3.29Å; Q692-L694 PolarHBondContact O-N 2.88Å; Q692-S695 PolarHBondContact O-OG 3.32Å; Q692-N1278 WeakPolarHBondContact CB-ND2 3.33Å; Q692-N1278 WeakPolarHBondContact CB-OD1 3.31Å; Q692-N1278 WeakPolarHBondContact CG-OD1 3.27Å; Q692-N1278 PolarHBondContact NE2-ND2 2.8Å; Q692-N1278 PolarHBondContact NE2-OD1 2.83Å; Q692-N1278 PolarHBondContact OE1-ND2 2.94Å; Q692-R1359 PolarHBondContact O-NH1 3Å; Q692-R1359 PolarHBondContact O-NH2 3.28Å |
| 693 | K | 50.7 | Low | 47.2 | Very low | 17 Ų | 17 | 39 Ų | 39 | 7% | 0.074 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -86.1 | 13.7 | 176 | -126.7 | -134.7 | -176.1 | 168.4 | 0 | 115 | T689 T690 K691 R1359 G1363 S1364 G1365 | T689-K693 VanDerWaalsContact O-CB 3.29Å; T689-K693 WeakPolarHBondContact O-CB 3.42Å; T689-K693 PolarHBondContact O-N 2.7Å; T690-K693 CarbonylContact O-C 2.85Å; T690-K693 VanDerWaalsContact O-C 3.27Å; T690-K693 VanDerWaalsContact O-CA 3.26Å; T690-K693 WeakPolarHBondContact O-CA 3.36Å; T690-K693 WeakPolarHBondContact O-CB 3.32Å; T690-K693 PolarHBondContact O-N 2.93Å; K691-K693 PolarHBondContact O-N 2.95Å; K693-R1359 VanDerWaalsContact C-CZ 3.49Å; K693-R1359 HydrophobicContact CD-CB 4.09Å; K693-R1359 HydrophobicContact CD-CG 4.13Å; K693-R1359 HydrophobicContact CG-CG 4.35Å; K693-R1359 WeakPolarHBondContact O-CD 3.43Å; K693-R1359 PolarHBondContact O-NH1 2.87Å; K693-G1363 WeakPolarHBondContact CD-O 2.72Å; K693-G1363 WeakPolarHBondContact CE-O 3.41Å; K693-G1363 PolarHBondContact NZ-O 2.87Å; K693-S1364 VanDerWaalsContact CE-O 3.32Å; K693-S1364 WeakPolarHBondContact CE-O 3.47Å; K693-G1365 WeakPolarHBondContact CE-O 3.46Å; K693-G1365 PolarHBondContact NZ-O 3.46Å |
| 694 | L | 51.5 | Low | 46.3 | Very low | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -114.9 | -24 | 169.3 | -66.2 | 160.7 | 0 | 0 | 0 | 113.3 | K602 F605 Y606 H618 T690 K691 Q692 T697 R1359 | K602-L694 HydrophobicContact CB-CD1 4.39Å; K602-L694 HydrophobicContact CG-CD1 4.08Å; F605-L694 HydrophobicContact CB-CD1 3.41Å; F605-L694 VanDerWaalsContact CB-CD1 3.41Å; F605-L694 HydrophobicContact CD1-CB 3.74Å; F605-L694 HydrophobicContact CD1-CD1 3.6Å; F605-L694 HydrophobicContact CD1-CD2 4.14Å; F605-L694 HydrophobicContact CD1-CG 4.01Å; F605-L694 HydrophobicContact CD2-CB 3.79Å; F605-L694 HydrophobicContact CD2-CD1 4.22Å; F605-L694 HydrophobicContact CE1-CB 3.76Å; F605-L694 HydrophobicContact CE1-CD1 4.43Å; F605-L694 HydrophobicContact CE1-CD2 4.33Å; F605-L694 HydrophobicContact CE1-CG 4.38Å; F605-L694 HydrophobicContact CE2-CB 3.79Å; F605-L694 HydrophobicContact CG-CB 3.77Å; F605-L694 HydrophobicContact CG-CD1 3.47Å; F605-L694 VanDerWaalsContact CG-CD1 3.47Å; F605-L694 HydrophobicContact CG-CG 4.15Å; F605-L694 HydrophobicContact CZ-CB 3.77Å; Y606-L694 HydrophobicContact CE1-CD2 4.42Å; Y606-L694 WeakPolarHBondContact OH-CD2 3.43Å; H618-L694 PolarHBondContact CE1-O 3.27Å; H618-L694 PolarHBondContact ND1-O 2.97Å; T690-L694 WeakPolarHBondContact O-CG 3.32Å; T690-L694 PolarHBondContact O-N 3.39Å; K691-L694 PolarHBondContact O-N 3.43Å; Q692-L694 VanDerWaalsContact C-N 3.29Å; Q692-L694 PolarHBondContact O-N 2.88Å; L694-T697 PolarHBondContact O-OG1 3.24Å; L694-R1359 VanDerWaalsContact C-NH1 3.34Å; L694-R1359 VanDerWaalsContact N-NH1 3.14Å |
| 695 | S | 43.6 | Very low | 45.9 | Very low | 80 Ų | 80 | 41.6 Ų | 41.6 | 56% | 0.559 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -73.3 | -73.4 | -179.2 | 57.4 | 0 | 0 | 0 | 0 | 113.9 | Q692 T697 | Q692-S695 PolarHBondContact O-OG 3.32Å; S695-T697 PolarHBondContact O-N 2.85Å |
| 696 | K | 42.2 | Very low | 45.4 | Very low | 45 Ų | 45 | 34.6 Ų | 34.6 | 20% | 0.196 | 18% | 0.18 | C | C | . | . | trans | -74.9 | 50.9 | 178.7 | -73 | 176 | 162 | -159.3 | 0 | 112.8 | L698 F1277 S1280 V1281 R1359 | K696-L698 PolarHBondContact O-N 3.35Å; K696-F1277 HydrophobicContact CB-CB 4.01Å; K696-F1277 HydrophobicContact CB-CD1 3.83Å; K696-F1277 HydrophobicContact CB-CG 4.23Å; K696-F1277 HydrophobicContact CD-CB 4.09Å; K696-F1277 WeakPolarHBondContact CD-O 3.04Å; K696-F1277 VanDerWaalsContact CE-O 3.27Å; K696-F1277 WeakPolarHBondContact CE-O 3.47Å; K696-F1277 PolarHBondContact NZ-O 2.67Å; K696-F1277 WeakPolarHBondContact O-CD1 3.23Å; K696-F1277 WeakPolarHBondContact O-CE1 3.36Å; K696-S1280 PolarHBondContact NZ-O 3.49Å; K696-S1280 PolarHBondContact NZ-OG 2.89Å; K696-V1281 PolarHBondContact NZ-O 2.79Å; K696-R1359 PolarHBondContact O-NE 2.65Å; K696-R1359 VanDerWaalsContact O-NE 3.17Å; K696-R1359 PolarHBondContact O-NH1 3.12Å; K696-R1359 PolarHBondContact O-NH2 3.06Å; K696-R1359 VanDerWaalsContact O-NH2 3.09Å | ||
| 697 | T | 49.3 | Very low | 44.7 | Very low | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | trans | -93.1 | 51.4 | 170.4 | -36.3 | 0 | 0 | 0 | 0 | 109.3 | H618 L694 S695 V699 R1359 Y1437 | H618-T697 VanDerWaalsContact CB-CB 3.41Å; H618-T697 HydrophobicContact CB-CG2 3.25Å; H618-T697 PolarHBondContact ND1-OG1 2.93Å; L694-T697 PolarHBondContact O-OG1 3.24Å; S695-T697 PolarHBondContact O-N 2.85Å; T697-V699 HydrophobicContact CG2-CG2 4.16Å; T697-V699 WeakPolarHBondContact O-CG2 3.36Å; T697-R1359 HydrophobicContact CG2-CB 4.13Å; T697-R1359 HydrophobicContact CG2-CG 3.91Å; T697-R1359 VanDerWaalsContact N-NH1 3.13Å; T697-R1359 WeakPolarHBondContact OG1-CD 3.16Å; T697-R1359 PolarHBondContact OG1-NH1 2.95Å; T697-Y1437 PolarHBondContact O-OH 2.99Å | ||
| 698 | L | 33.4 | Very low | 44.1 | Very low | 17 Ų | 17 | 35.9 Ų | 35.9 | 9% | 0.089 | 19% | 0.185 | C | C | . | . | trans | -126.8 | 150.2 | 161.9 | -92.5 | 163.1 | 0 | 0 | 0 | 109.1 | R617 K696 I1286 Y1437 | R617-L698 HydrophobicContact CB-CD1 3.71Å; R617-L698 HydrophobicContact CB-CD2 4.14Å; R617-L698 HydrophobicContact CB-CG 3.93Å; R617-L698 HydrophobicContact CG-CD1 4.44Å; R617-L698 HydrophobicContact CG-CD2 4.14Å; R617-L698 HydrophobicContact CG-CG 4.49Å; R617-L698 VanDerWaalsContact CZ-CD2 3.49Å; K696-L698 PolarHBondContact O-N 3.35Å; L698-I1286 HydrophobicContact CB-CG1 4.2Å; L698-I1286 HydrophobicContact CD1-CB 4.18Å; L698-I1286 HydrophobicContact CD1-CD1 3.62Å; L698-I1286 HydrophobicContact CD1-CG1 3.55Å; L698-I1286 HydrophobicContact CD1-CG2 3.88Å; L698-I1286 HydrophobicContact CG-CG1 4.49Å; L698-Y1437 WeakPolarHBondContact CD2-OH 3.42Å | ||
| 699 | V | 41.9 | Very low | 44.1 | Very low | 11 Ų | 11 | 34 Ų | 34 | 7% | 0.067 | 18% | 0.176 | C | C | . | . | -176.2 | 125.8 | -99.6 | 155.3 | 0 | 0 | 0 | 0 | 105.7 | T697 V1356 I1357 L1358 Y1437 | T697-V699 HydrophobicContact CG2-CG2 4.16Å; T697-V699 WeakPolarHBondContact O-CG2 3.36Å; V699-V1356 HydrophobicContact CG1-CB 3.3Å; V699-V1356 HydrophobicContact CG1-CG1 3.38Å; V699-V1356 HydrophobicContact CG1-CG2 4.45Å; V699-I1357 WeakPolarHBondContact CG2-O 3.5Å; V699-L1358 HydrophobicContact CG1-CD2 3.67Å; V699-L1358 HydrophobicContact CG1-CG 4.19Å; V699-L1358 HydrophobicContact CG2-CD2 4.14Å; V699-Y1437 HydrophobicContact CB-CE2 4.45Å; V699-Y1437 HydrophobicContact CG1-CE2 3.82Å | |||
| 700 | Y | 44.8 | Very low | 44.3 | Very low | 29 Ų | 29 | 36 Ų | 36 | 11% | 0.114 | 19% | 0.185 | C | C | . | . | trans | 59.5 | 169.9 | -163.7 | -66.8 | -25 | 0 | 0 | 0 | 112.6 | I1355 V1356 I1357 V1368 I1369 N1370 K1371 Y1374 | Y700-I1355 WeakPolarHBondContact CB-O 3.12Å; Y700-I1355 HydrophobicContact CD1-CB 3.43Å; Y700-I1355 VanDerWaalsContact CD1-CB 3.43Å; Y700-I1355 HydrophobicContact CD1-CD1 3.88Å; Y700-I1355 HydrophobicContact CD1-CG1 3.71Å; Y700-I1355 WeakPolarHBondContact CD1-O 3.32Å; Y700-I1355 WeakPolarHBondContact CD2-O 3.09Å; Y700-I1355 VanDerWaalsContact CE1-CA 3.44Å; Y700-I1355 HydrophobicContact CE1-CB 3.44Å; Y700-I1355 VanDerWaalsContact CE1-CB 3.44Å; Y700-I1355 HydrophobicContact CE1-CG1 4.36Å; Y700-I1355 HydrophobicContact CE1-CG2 4.44Å; Y700-V1356 HydrophobicContact CD1-CB 3.94Å; Y700-V1356 HydrophobicContact CD2-CB 2.96Å; Y700-V1356 HydrophobicContact CD2-CG1 2.91Å; Y700-V1356 HydrophobicContact CD2-CG2 4.02Å; Y700-V1356 HydrophobicContact CE1-CB 3.65Å; Y700-V1356 HydrophobicContact CE1-CG2 4.13Å; Y700-V1356 WeakPolarHBondContact CE1-O 3.49Å; Y700-V1356 HydrophobicContact CE2-CB 2.59Å; Y700-V1356 HydrophobicContact CE2-CG1 2.95Å; Y700-V1356 HydrophobicContact CE2-CG2 2.97Å; Y700-V1356 HydrophobicContact CG-CB 3.63Å; Y700-V1356 HydrophobicContact CG-CG1 3.98Å; Y700-V1356 VanDerWaalsContact CZ-O 3.31Å; Y700-V1356 WeakPolarHBondContact OH-CA 3.5Å; Y700-V1356 WeakPolarHBondContact OH-CG2 3.28Å; Y700-V1356 PolarHBondContact OH-N 3.03Å; Y700-I1357 HydrophobicContact CD1-CB 4.5Å; Y700-I1357 HydrophobicContact CD1-CG1 4Å; Y700-I1357 VanDerWaalsContact CE1-N 3.3Å; Y700-V1368 HydrophobicContact CD1-CG1 4.13Å; Y700-V1368 HydrophobicContact CE1-CG1 3.87Å; Y700-I1369 WeakPolarHBondContact CE1-O 3.19Å; Y700-I1369 VanDerWaalsContact CZ-O 3.22Å; Y700-I1369 WeakPolarHBondContact OH-CA 3.41Å; Y700-I1369 VanDerWaalsContact OH-CB 3.24Å; Y700-I1369 WeakPolarHBondContact OH-CB 3.27Å; Y700-I1369 WeakPolarHBondContact OH-CG2 3.3Å; Y700-I1369 PolarHBondContact OH-O 3.1Å; Y700-N1370 PolarHBondContact OH-N 3.25Å; Y700-N1370 PolarHBondContact OH-O 3.37Å; Y700-N1370 VanDerWaalsContact OH-O 3.13Å; Y700-K1371 HydrophobicContact CE2-CB 3.93Å; Y700-K1371 HydrophobicContact CE2-CG 4.02Å; Y700-Y1374 HydrophobicContact CE2-CD1 4.19Å; Y700-Y1374 HydrophobicContact CE2-CG 4.39Å | ||
| 701 | D | 40.2 | Very low | 44.6 | Very low | 8 Ų | 8 | 36.4 Ų | 36.4 | 4% | 0.043 | 19% | 0.188 | C | C | . | . | trans | -146.4 | -163.4 | -165.6 | 37.1 | -55.2 | 0 | 0 | 0 | 107.4 | L1349 R1352 S1353 I1357 | D701-L1349 WeakPolarHBondContact OD2-CA 3.31Å; D701-R1352 CarbonylContact C-O 3.57Å; D701-R1352 WeakPolarHBondContact CA-O 3.43Å; D701-R1352 VanDerWaalsContact CB-O 3.3Å; D701-R1352 WeakPolarHBondContact CB-O 3.34Å; D701-R1352 VanDerWaalsContact CG-N 3.29Å; D701-R1352 PolarHBondContact N-O 3.11Å; D701-R1352 CarbonylContact O-C 3.53Å; D701-R1352 VanDerWaalsContact O-C 3.25Å; D701-R1352 VanDerWaalsContact O-O 3.12Å; D701-R1352 WeakPolarHBondContact OD2-CA 2.71Å; D701-R1352 VanDerWaalsContact OD2-CB 3.3Å; D701-R1352 WeakPolarHBondContact OD2-CB 3.07Å; D701-R1352 PolarHBondContact OD2-N 3.35Å; D701-S1353 WeakPolarHBondContact O-CA 3.22Å; D701-S1353 WeakPolarHBondContact O-CB 3.25Å; D701-S1353 PolarHBondContact O-N 2.83Å; D701-I1357 WeakPolarHBondContact OD1-CD1 3.34Å | ||
| 702 | N | 38.8 | Very low | 45.3 | Very low | 72 Ų | 72 | 36.6 Ų | 36.6 | 39% | 0.385 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -101.3 | -21.5 | -159.5 | -64.4 | 12.9 | 0 | 0 | 0 | 122.3 | S1353 | N702-S1353 VanDerWaalsContact C-N 3.29Å; N702-S1353 WeakPolarHBondContact O-CB 3.47Å; N702-S1353 PolarHBondContact O-OG 3Å |
| 703 | D | 40.1 | Very low | 46.2 | Very low | 100 Ų | 100 | 41.7 Ų | 41.7 | 54% | 0.535 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -126.4 | -19.8 | 178.4 | -18.9 | -32.9 | 0 | 0 | 0 | 123.7 | C1351 R1352 S1353 | D703-C1351 WeakPolarHBondContact CA-O 3.43Å; D703-C1351 WeakPolarHBondContact CB-O 3.49Å; D703-C1351 VanDerWaalsContact N-C 3.25Å; D703-C1351 PolarHBondContact N-O 3.02Å; D703-R1352 HydrophobicContact CB-CG 4.05Å; D703-R1352 VanDerWaalsContact N-C 3.26Å; D703-R1352 VanDerWaalsContact O-CZ 3.29Å; D703-R1352 PolarHBondContact O-NE 3.49Å; D703-R1352 VanDerWaalsContact O-NE 3.15Å; D703-R1352 PolarHBondContact O-NH2 3.26Å; D703-S1353 WeakPolarHBondContact CA-OG 3.14Å; D703-S1353 PolarHBondContact N-OG 2.84Å |
| 704 | G | 36.2 | Very low | 47 | Very low | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | 137.8 | -1.4 | 162 | 0 | 0 | 0 | 0 | 0 | 129.1 | R1352 D1354 I1355 | G704-R1352 VanDerWaalsContact CA-CB 3.48Å; G704-R1352 VanDerWaalsContact N-CZ 3.31Å; G704-R1352 PolarHBondContact O-NH1 3.28Å; G704-D1354 VanDerWaalsContact CA-CG 3.47Å; G704-D1354 VanDerWaalsContact CA-N 3.33Å; G704-D1354 VanDerWaalsContact CA-OD1 3.28Å; G704-D1354 WeakPolarHBondContact CA-OD1 3.37Å; G704-I1355 WeakPolarHBondContact O-CG2 3.28Å | ||
| 705 | N | 40.2 | Very low | 48.2 | Very low | 53 Ų | 53 | 45.9 Ų | 45.9 | 28% | 0.283 | 23% | 0.231 | S | C | . | . | trans | -85.6 | 134.7 | 174.7 | -68.2 | -15.1 | 0 | 0 | 0 | 113.6 | V1263 L1265 L1349 R1352 I1355 | N705-V1263 HydrophobicContact CB-CG1 3.73Å; N705-V1263 WeakPolarHBondContact OD1-CG1 2.93Å; N705-L1265 HydrophobicContact CB-CD2 3.95Å; N705-L1349 WeakPolarHBondContact O-CD2 3.4Å; N705-R1352 HydrophobicContact CB-CB 4.31Å; N705-R1352 HydrophobicContact CB-CG 4.14Å; N705-R1352 VanDerWaalsContact CG-CD 3.43Å; N705-R1352 VanDerWaalsContact N-NE 3.18Å; N705-R1352 PolarHBondContact OD1-NH1 3.47Å; N705-I1355 VanDerWaalsContact C-CD1 3.43Å; N705-I1355 WeakPolarHBondContact O-CD1 3.31Å | ||
| 706 | L | 40.9 | Very low | 49.9 | Very low | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | trans | -56.5 | -163.7 | 165 | -167.4 | 51.8 | 0 | 0 | 0 | 113.7 | N1259 S1261 V1263 L1265 L1349 V1368 | L706-N1259 HydrophobicContact CD1-CB 4.25Å; L706-N1259 HydrophobicContact CD2-CB 3.47Å; L706-N1259 VanDerWaalsContact CD2-CB 3.47Å; L706-N1259 HydrophobicContact CG-CB 4.01Å; L706-N1259 VanDerWaalsContact CG-CG 3.47Å; L706-N1259 WeakPolarHBondContact CG-OD1 3.02Å; L706-S1261 VanDerWaalsContact CD2-OG 3.29Å; L706-S1261 WeakPolarHBondContact CD2-OG 3.48Å; L706-V1263 HydrophobicContact CB-CB 4.07Å; L706-V1263 HydrophobicContact CB-CG1 4.43Å; L706-V1263 VanDerWaalsContact CD2-O 3.29Å; L706-V1263 WeakPolarHBondContact CD2-O 3.44Å; L706-L1265 HydrophobicContact CB-CD1 3.43Å; L706-L1265 VanDerWaalsContact CB-CD1 3.43Å; L706-L1265 HydrophobicContact CB-CD2 3.68Å; L706-L1265 HydrophobicContact CB-CG 3.95Å; L706-L1265 HydrophobicContact CD2-CD1 3.81Å; L706-L1265 HydrophobicContact CG-CD1 3.41Å; L706-L1265 VanDerWaalsContact CG-CD1 3.41Å; L706-L1265 HydrophobicContact CG-CG 4.44Å; L706-L1265 WeakPolarHBondContact O-CD2 3.31Å; L706-L1349 WeakPolarHBondContact O-CD2 3.2Å; L706-V1368 HydrophobicContact CD1-CB 3.26Å; L706-V1368 HydrophobicContact CD1-CG1 3.32Å; L706-V1368 HydrophobicContact CD1-CG2 4.12Å; L706-V1368 WeakPolarHBondContact CD1-O 3.36Å | ||
| 707 | F | 38.5 | Very low | 52 | Low | 3 Ų | 3 | 45.1 Ų | 45.1 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | trans | -147.4 | 151.4 | 155.2 | -117.3 | -92 | 0 | 0 | 0 | 113.4 | N1259 S1266 E1269 L1273 A1345 N1348 L1349 | F707-N1259 PolarHBondContact O-OD1 3.12Å; F707-S1266 WeakPolarHBondContact CD1-O 3.47Å; F707-S1266 WeakPolarHBondContact CE1-O 3.33Å; F707-S1266 WeakPolarHBondContact CE1-OG 2.78Å; F707-S1266 WeakPolarHBondContact CZ-OG 3.4Å; F707-E1269 VanDerWaalsContact CA-OE2 3.24Å; F707-E1269 WeakPolarHBondContact CA-OE2 3.19Å; F707-E1269 HydrophobicContact CB-CB 3.59Å; F707-E1269 HydrophobicContact CB-CG 3.62Å; F707-E1269 WeakPolarHBondContact CB-OE2 3.36Å; F707-E1269 HydrophobicContact CD1-CB 2.7Å; F707-E1269 HydrophobicContact CD1-CG 2.3Å; F707-E1269 WeakPolarHBondContact CD1-OE1 3.37Å; F707-E1269 WeakPolarHBondContact CD1-OE2 2.8Å; F707-E1269 HydrophobicContact CD2-CB 3.43Å; F707-E1269 VanDerWaalsContact CD2-CB 3.43Å; F707-E1269 HydrophobicContact CD2-CG 2.31Å; F707-E1269 WeakPolarHBondContact CD2-OE1 3.33Å; F707-E1269 WeakPolarHBondContact CD2-OE2 2.82Å; F707-E1269 VanDerWaalsContact CE1-CA 3.45Å; F707-E1269 HydrophobicContact CE1-CB 3.24Å; F707-E1269 HydrophobicContact CE1-CG 2.3Å; F707-E1269 WeakPolarHBondContact CE1-OE1 3.43Å; F707-E1269 WeakPolarHBondContact CE1-OE2 3.4Å; F707-E1269 HydrophobicContact CE2-CB 3.86Å; F707-E1269 HydrophobicContact CE2-CG 2.31Å; F707-E1269 WeakPolarHBondContact CE2-OE1 3.45Å; F707-E1269 WeakPolarHBondContact CE2-OE2 3.48Å; F707-E1269 HydrophobicContact CG-CB 2.81Å; F707-E1269 HydrophobicContact CG-CG 2.31Å; F707-E1269 WeakPolarHBondContact CG-OE2 3.43Å; F707-E1269 HydrophobicContact CZ-CB 3.77Å; F707-E1269 HydrophobicContact CZ-CG 2.3Å; F707-E1269 WeakPolarHBondContact CZ-OE1 3.17Å; F707-L1273 HydrophobicContact CB-CD1 3.72Å; F707-A1345 HydrophobicContact CE1-CB 4.04Å; F707-A1345 HydrophobicContact CZ-CB 3.79Å; F707-N1348 HydrophobicContact CE2-CB 4.12Å; F707-L1349 HydrophobicContact CB-CD2 4.41Å; F707-L1349 HydrophobicContact CB-CG 4.16Å; F707-L1349 HydrophobicContact CD2-CB 3.62Å; F707-L1349 HydrophobicContact CD2-CD2 3.85Å; F707-L1349 HydrophobicContact CD2-CG 3.56Å; F707-L1349 HydrophobicContact CE2-CB 4.13Å; F707-L1349 HydrophobicContact CG-CG 4.18Å | ||
| 708 | Q | 42.5 | Very low | 53.7 | Low | 40 Ų | 40 | 47.8 Ų | 47.8 | 19% | 0.187 | 24% | 0.24 | C | C | . | . | trans | -61.8 | 167.4 | -138 | -161.8 | -164.4 | 64.2 | 0 | 0 | 121.5 | L1265 S1266 K1270 | Q708-L1265 VanDerWaalsContact CA-CB 3.43Å; Q708-L1265 HydrophobicContact CB-CB 3.52Å; Q708-L1265 HydrophobicContact CG-CB 3.9Å; Q708-L1265 WeakPolarHBondContact CG-O 3.47Å; Q708-L1265 PolarHBondContact NE2-O 3.41Å; Q708-S1266 WeakPolarHBondContact CB-O 3.29Å; Q708-S1266 VanDerWaalsContact NE2-CA 3.31Å; Q708-K1270 HydrophobicContact CB-CB 4.15Å; Q708-K1270 HydrophobicContact CB-CD 3.92Å; Q708-K1270 VanDerWaalsContact CB-CE 3.45Å; Q708-K1270 HydrophobicContact CB-CG 3.73Å; Q708-K1270 HydrophobicContact CG-CD 4.31Å; Q708-K1270 VanDerWaalsContact CG-CE 3.5Å; Q708-K1270 VanDerWaalsContact O-CE 3.3Å; Q708-K1270 WeakPolarHBondContact O-CE 2.82Å; Q708-K1270 VanDerWaalsContact O-CG 3.25Å; Q708-K1270 WeakPolarHBondContact O-CG 3.16Å; Q708-K1270 VanDerWaalsContact OE1-CD 3.29Å | ||
| 709 | F | 48.4 | Very low | 56 | Low | 42 Ų | 42 | 47.4 Ų | 47.4 | 18% | 0.184 | 24% | 0.239 | C | C | . | . | trans | -135.6 | 179.2 | 171 | -165.2 | -105 | 0 | 0 | 0 | 112.3 | S732 D1254 K1270 | F709-S732 WeakPolarHBondContact CE1-OG 3.09Å; F709-D1254 HydrophobicContact CD2-CB 3.85Å; F709-D1254 HydrophobicContact CE2-CB 3.83Å; F709-K1270 VanDerWaalsContact C-CE 3.45Å; F709-K1270 VanDerWaalsContact O-CE 3.28Å; F709-K1270 WeakPolarHBondContact O-CE 3.11Å; F709-K1270 PolarHBondContact O-NZ 3.08Å | ||
| 710 | N | 56.6 | Low | 57.8 | Low | 77 Ų | 77 | 52.5 Ų | 52.5 | 41% | 0.412 | 27% | 0.271 | S | S | . | . | trans | -142.4 | 115.2 | 172.3 | -177.6 | 0.2 | 0 | 0 | 0 | 112.7 | D712 D1254 | N710-D712 PolarHBondContact OD1-N 2.76Å; N710-D1254 VanDerWaalsContact CB-OD2 3.29Å; N710-D1254 WeakPolarHBondContact CB-OD2 3.34Å; N710-D1254 PolarHBondContact N-OD2 2.86Å | ||
| 711 | P | 59 | Low | 59.4 | Low | 14 Ų | 14 | 51.6 Ų | 51.6 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | trans | -72.1 | -43.8 | -175 | -25.2 | 37.5 | 0 | 0 | 0 | 118.2 | K713 Y714 K728 E729 S732 | P711-K713 PolarHBondContact O-N 3.08Å; P711-Y714 PolarHBondContact O-N 3.04Å; P711-Y714 VanDerWaalsContact O-N 3.07Å; P711-K728 HydrophobicContact CB-CB 3.92Å; P711-K728 HydrophobicContact CG-CB 4.19Å; P711-E729 HydrophobicContact CG-CB 4.4Å; P711-E729 HydrophobicContact CG-CG 3.7Å; P711-S732 WeakPolarHBondContact O-CB 3.41Å | ||
| 712 | D | 66.4 | Low | 61.1 | Low | 90 Ų | 90 | 62.9 Ų | 62.9 | 48% | 0.481 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -9.9 | -153.3 | -69.8 | -54.4 | 0 | 0 | 0 | 115.1 | N710 Y714 K728 | N710-D712 PolarHBondContact OD1-N 2.76Å; D712-Y714 VanDerWaalsContact C-N 3.32Å; D712-K728 WeakPolarHBondContact OD1-CD 3.26Å; D712-K728 WeakPolarHBondContact OD1-CE 3.08Å; D712-K728 IonicContact OD1-NZ 3.14Å; D712-K728 PolarHBondContact OD1-NZ 3.2Å; D712-K728 IonicContact OD2-NZ 2.63Å |
| 713 | K | 66 | Low | 63.2 | Low | 162 Ų | 162 | 60 Ų | 60 | 70% | 0.704 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -19.7 | 175.1 | -176.3 | 162.4 | -176.3 | 166 | 0 | 113.8 | P711 | P711-K713 PolarHBondContact O-N 3.08Š|
| 714 | Y | 66.6 | Low | 65.1 | Low | 106 Ų | 106 | 57.2 Ų | 57.2 | 42% | 0.416 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | -9.8 | -173.6 | -58.9 | -78.2 | 0 | 0 | 0 | 113.7 | P711 D712 V824 | P711-Y714 PolarHBondContact O-N 3.04Å; P711-Y714 VanDerWaalsContact O-N 3.07Å; D712-Y714 VanDerWaalsContact C-N 3.32Å; Y714-V824 PolarHBondContact O-N 3.23Å |
| 715 | V | 75.8 | Confident | 66.8 | Low | 8 Ų | 8 | 60.8 Ų | 60.8 | 5% | 0.048 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 101.1 | -178.5 | -171.8 | 0 | 0 | 0 | 0 | 109.5 | N717 L723 L731 S732 V824 V826 | V715-N717 PolarHBondContact O-N 3.22Å; V715-L723 HydrophobicContact CG1-CD1 4.4Å; V715-L731 HydrophobicContact CG1-CB 4.3Å; V715-L731 HydrophobicContact CG1-CD1 4.48Å; V715-L731 HydrophobicContact CG2-CB 3.8Å; V715-S732 VanDerWaalsContact CG2-CA 3.5Å; V715-V824 CarbonylContact C-O 3.47Å; V715-V824 WeakPolarHBondContact CA-O 3.39Å; V715-V826 HydrophobicContact CG1-CG2 4Å |
| 716 | S | 80.7 | Confident | 68.3 | Low | 54 Ų | 54 | 60.4 Ų | 60.4 | 38% | 0.378 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 92.7 | 169 | -63.1 | 0 | 0 | 0 | 0 | 108.8 | L718 V824 V825 V826 | S716-L718 PolarHBondContact O-N 3.48Å; S716-V824 PolarHBondContact N-O 3.27Å; S716-V825 WeakPolarHBondContact O-CA 3.4Å; S716-V826 PolarHBondContact O-N 3.47Å |
| 717 | N | 85.3 | Confident | 70.1 | Confident | 56 Ų | 56 | 61 Ų | 61 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 100 | 174.3 | -168.1 | 40.3 | 0 | 0 | 0 | 110.5 | V715 S719 V721 L723 V826 | V715-N717 PolarHBondContact O-N 3.22Å; N717-S719 PolarHBondContact ND2-O 3.08Å; N717-S719 PolarHBondContact OD1-N 2.95Å; N717-S719 PolarHBondContact OD1-OG 3.37Å; N717-V721 PolarHBondContact ND2-O 3.28Å; N717-L723 HydrophobicContact CB-CD1 4.09Å; N717-V826 CarbonylContact C-O 3.48Å; N717-V826 WeakPolarHBondContact OD1-CB 3.32Å; N717-V826 WeakPolarHBondContact OD1-CG1 3.39Å |
| 718 | L | 84.9 | Confident | 71.8 | Confident | 60 Ų | 60 | 63.6 Ų | 63.6 | 31% | 0.314 | 32% | 0.315 | S | S | . | . | trans | -87.7 | -17 | 167.8 | -53.7 | -179.8 | 0 | 0 | 0 | 111.7 | S716 V825 V826 I827 I905 | S716-L718 PolarHBondContact O-N 3.48Å; L718-V825 HydrophobicContact CD1-CG1 3.62Å; L718-V825 HydrophobicContact CG-CG1 3.99Å; L718-V826 WeakPolarHBondContact CA-O 3.44Å; L718-V826 PolarHBondContact N-O 2.86Å; L718-I827 HydrophobicContact CB-CB 4.37Å; L718-I827 HydrophobicContact CB-CG1 4.39Å; L718-I827 HydrophobicContact CD1-CD1 4.38Å; L718-I905 HydrophobicContact CD1-CD1 4.28Å; L718-I905 HydrophobicContact CD2-CD1 4.19Å | ||
| 719 | S | 82.5 | Confident | 73.1 | Confident | 9 Ų | 9 | 62.7 Ų | 62.7 | 6% | 0.063 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -68.3 | 151.3 | 177.8 | 80.7 | 0 | 0 | 0 | 0 | 113 | N717 V721 V826 N828 | N717-S719 PolarHBondContact ND2-O 3.08Å; N717-S719 PolarHBondContact OD1-N 2.95Å; N717-S719 PolarHBondContact OD1-OG 3.37Å; S719-V721 PolarHBondContact O-N 3.35Å; S719-V721 PolarHBondContact OG-N 3.45Å; S719-V826 PolarHBondContact N-O 3.23Å; S719-N828 WeakPolarHBondContact CA-OD1 3.15Å; S719-N828 WeakPolarHBondContact CB-OD1 3.34Å |
| 720 | T | 78.8 | Confident | 74.1 | Confident | 119 Ų | 119 | 60.8 Ų | 60.8 | 73% | 0.73 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -71.2 | -8.2 | 171.6 | 46.2 | 0 | 0 | 0 | 0 | 112.6 | R722 N828 | T720-R722 PolarHBondContact O-N 3.32Å; T720-N828 PolarHBondContact N-OD1 3.09Å; T720-N828 PolarHBondContact OG1-ND2 2.61Å; T720-N828 PolarHBondContact OG1-OD1 3.28Å |
| 721 | V | 78.7 | Confident | 74.8 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 6% | 0.055 | 29% | 0.286 | C | S | . | . | trans | -69.1 | 121.4 | 179.6 | 178.8 | 0 | 0 | 0 | 0 | 111 | N717 S719 L723 R810 D812 I813 | N717-V721 PolarHBondContact ND2-O 3.28Å; S719-V721 PolarHBondContact O-N 3.35Å; S719-V721 PolarHBondContact OG-N 3.45Å; V721-L723 HydrophobicContact CG1-CD2 4.2Å; V721-L723 PolarHBondContact O-N 3.3Å; V721-R810 VanDerWaalsContact CG1-CZ 3.49Å; V721-D812 VanDerWaalsContact CG2-OD2 3.23Å; V721-D812 WeakPolarHBondContact CG2-OD2 3.23Å; V721-I813 HydrophobicContact CB-CG2 4.16Å; V721-I813 HydrophobicContact CG2-CG2 3.43Å; V721-I813 VanDerWaalsContact CG2-CG2 3.43Å | ||
| 722 | R | 77.2 | Confident | 75.3 | Confident | 245 Ų | 245 | 57.6 Ų | 57.6 | 93% | 0.925 | 29% | 0.285 | S | S | * | . | trans | -71.9 | 81.9 | 163.3 | -77.2 | -171.3 | 172.7 | -173.1 | 0 | 110 | T720 S724 | T720-R722 PolarHBondContact O-N 3.32Å; R722-S724 PolarHBondContact O-N 3.19Å | ||
| 723 | L | 81.1 | Confident | 75.1 | Confident | 12 Ų | 12 | 55.9 Ų | 55.9 | 6% | 0.063 | 28% | 0.276 | C | S | . | . | trans | -48.7 | 124.3 | 169.4 | -61.5 | 171.2 | 0 | 0 | 0 | 109.6 | V715 N717 V721 E727 K728 L731 L807 I813 V826 | V715-L723 HydrophobicContact CG1-CD1 4.4Å; N717-L723 HydrophobicContact CB-CD1 4.09Å; V721-L723 HydrophobicContact CG1-CD2 4.2Å; V721-L723 PolarHBondContact O-N 3.3Å; L723-E727 WeakPolarHBondContact CA-OE2 3.3Å; L723-E727 HydrophobicContact CB-CB 4.25Å; L723-E727 HydrophobicContact CD2-CB 4.5Å; L723-K728 HydrophobicContact CB-CG 3.72Å; L723-K728 HydrophobicContact CD1-CG 4.22Å; L723-L731 HydrophobicContact CD1-CD1 3.96Å; L723-L731 HydrophobicContact CD2-CD1 4.09Å; L723-L807 HydrophobicContact CD2-CD2 3.57Å; L723-I813 HydrophobicContact CD2-CD1 4.47Å; L723-V826 HydrophobicContact CD1-CG2 4.36Å | ||
| 724 | S | 81.1 | Confident | 74.9 | Confident | 42 Ų | 42 | 49.2 Ų | 49.2 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | trans | -61.3 | 159.1 | 174.5 | 91.1 | 0 | 0 | 0 | 0 | 110.3 | R722 F726 E727 K728 | R722-S724 PolarHBondContact O-N 3.19Å; S724-F726 PolarHBondContact O-N 2.68Å; S724-E727 PolarHBondContact N-OE2 2.98Å; S724-E727 WeakPolarHBondContact O-CA 3.47Å; S724-E727 WeakPolarHBondContact O-CB 3.1Å; S724-E727 PolarHBondContact O-N 3.4Å; S724-E727 VanDerWaalsContact OG-CG 3.28Å; S724-E727 WeakPolarHBondContact OG-CG 2.96Å; S724-E727 PolarHBondContact OG-N 3.01Å; S724-E727 PolarHBondContact OG-OE1 2.79Å; S724-K728 PolarHBondContact O-N 3.28Å | ||
| 725 | V | 71.7 | Confident | 74.4 | Confident | 74 Ų | 74 | 47.6 Ų | 47.6 | 45% | 0.448 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.6 | -33.6 | -176.7 | -168.7 | 0 | 0 | 0 | 0 | 111.2 | E727 E729 R1264 | V725-E727 VanDerWaalsContact C-N 3.33Å; V725-E727 PolarHBondContact O-N 3.02Å; V725-E729 HydrophobicContact CG1-CG 4.41Å; V725-E729 VanDerWaalsContact O-CB 3.28Å; V725-E729 WeakPolarHBondContact O-CB 3.42Å; V725-E729 WeakPolarHBondContact O-CG 3.4Å; V725-E729 PolarHBondContact O-N 2.77Å; V725-R1264 VanDerWaalsContact CG1-NE 3.28Å |
| 726 | F | 72.6 | Confident | 73 | Confident | 46 Ų | 46 | 54 Ų | 54 | 20% | 0.202 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.6 | -30.7 | 172.9 | -63.4 | -66.3 | 0 | 0 | 0 | 112.9 | S724 A730 K799 H800 A803 | S724-F726 PolarHBondContact O-N 2.68Å; F726-A730 WeakPolarHBondContact O-CB 3.41Å; F726-A730 PolarHBondContact O-N 3.12Å; F726-A730 VanDerWaalsContact O-N 3.09Å; F726-K799 HydrophobicContact CD1-CB 4.34Å; F726-K799 HydrophobicContact CD2-CB 4.26Å; F726-K799 HydrophobicContact CE1-CB 4.13Å; F726-K799 HydrophobicContact CE2-CB 4.06Å; F726-K799 HydrophobicContact CE2-CD 4.02Å; F726-K799 HydrophobicContact CG-CB 4.41Å; F726-K799 HydrophobicContact CZ-CB 3.99Å; F726-K799 HydrophobicContact CZ-CD 3.75Å; F726-H800 AromaticContact CD1-CD2 3.95Å; F726-H800 AromaticContact CD1-CE1 3.64Å; F726-H800 AromaticContact CD1-CG 3.7Å; F726-H800 AromaticContact CD1-ND1 3.51Å; F726-H800 AromaticContact CD1-NE2 3.9Å; F726-H800 PolarHBondContact O-CD2 2.88Å; F726-H800 VanDerWaalsContact O-CD2 3.25Å; F726-A803 HydrophobicContact CB-CB 3.5Å; F726-A803 VanDerWaalsContact CB-CB 3.5Å |
| 727 | E | 77.5 | Confident | 71.5 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72.7 | -47.4 | 176.4 | -69.1 | 166.3 | -165.1 | 0 | 0 | 110.5 | L723 S724 V725 A730 L731 A803 L807 | L723-E727 WeakPolarHBondContact CA-OE2 3.3Å; L723-E727 HydrophobicContact CB-CB 4.25Å; L723-E727 HydrophobicContact CD2-CB 4.5Å; S724-E727 PolarHBondContact N-OE2 2.98Å; S724-E727 WeakPolarHBondContact O-CA 3.47Å; S724-E727 WeakPolarHBondContact O-CB 3.1Å; S724-E727 PolarHBondContact O-N 3.4Å; S724-E727 VanDerWaalsContact OG-CG 3.28Å; S724-E727 WeakPolarHBondContact OG-CG 2.96Å; S724-E727 PolarHBondContact OG-N 3.01Å; S724-E727 PolarHBondContact OG-OE1 2.79Å; V725-E727 VanDerWaalsContact C-N 3.33Å; V725-E727 PolarHBondContact O-N 3.02Å; E727-A730 PolarHBondContact O-N 2.84Å; E727-L731 WeakPolarHBondContact O-CB 3.32Å; E727-L731 VanDerWaalsContact O-CG 3.28Å; E727-L731 WeakPolarHBondContact O-CG 3.39Å; E727-L731 PolarHBondContact O-N 3.36Å; E727-A803 HydrophobicContact CB-CB 4.45Å; E727-A803 HydrophobicContact CG-CB 3.56Å; E727-L807 HydrophobicContact CB-CD1 3.79Å; E727-L807 HydrophobicContact CB-CD2 4.2Å; E727-L807 HydrophobicContact CB-CG 4.07Å; E727-L807 HydrophobicContact CG-CD1 3.99Å; E727-L807 HydrophobicContact CG-CD2 4.15Å; E727-L807 HydrophobicContact CG-CG 3.81Å |
| 728 | K | 73.9 | Confident | 69.4 | Low | 58 Ų | 58 | 54.4 Ų | 54.4 | 25% | 0.252 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58 | -48.4 | 171.6 | -74 | -165.1 | 170.1 | -162.8 | 0 | 112.1 | P711 D712 L723 S724 A730 L731 S732 | P711-K728 HydrophobicContact CB-CB 3.92Å; P711-K728 HydrophobicContact CG-CB 4.19Å; D712-K728 WeakPolarHBondContact OD1-CD 3.26Å; D712-K728 WeakPolarHBondContact OD1-CE 3.08Å; D712-K728 IonicContact OD1-NZ 3.14Å; D712-K728 PolarHBondContact OD1-NZ 3.2Å; D712-K728 IonicContact OD2-NZ 2.63Å; L723-K728 HydrophobicContact CB-CG 3.72Å; L723-K728 HydrophobicContact CD1-CG 4.22Å; S724-K728 PolarHBondContact O-N 3.28Å; K728-A730 PolarHBondContact O-N 3Å; K728-L731 PolarHBondContact O-N 3.15Å; K728-S732 WeakPolarHBondContact O-CB 3.49Å; K728-S732 PolarHBondContact O-N 3.37Å; K728-S732 PolarHBondContact O-OG 2.98Å |
| 729 | E | 69.7 | Low | 67.2 | Low | 20 Ų | 20 | 52.9 Ų | 52.9 | 9% | 0.093 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.5 | -49.2 | 179 | -78.6 | 168.2 | 144.2 | 0 | 0 | 110.9 | P711 V725 S732 H800 R1264 | P711-E729 HydrophobicContact CG-CB 4.4Å; P711-E729 HydrophobicContact CG-CG 3.7Å; V725-E729 HydrophobicContact CG1-CG 4.41Å; V725-E729 VanDerWaalsContact O-CB 3.28Å; V725-E729 WeakPolarHBondContact O-CB 3.42Å; V725-E729 WeakPolarHBondContact O-CG 3.4Å; V725-E729 PolarHBondContact O-N 2.77Å; E729-S732 PolarHBondContact O-N 2.91Å; E729-S732 PolarHBondContact O-OG 3.2Å; E729-H800 WeakPolarHBondContact CB-NE2 3.19Å; E729-H800 IonicContact OE2-CE1 3.59Å; E729-H800 IonicContact OE2-NE2 3.56Å; E729-H800 PolarHBondContact OE2-NE2 3.36Å; E729-R1264 WeakPolarHBondContact OE1-CD 3.08Å; E729-R1264 WeakPolarHBondContact OE1-CG 2.9Å; E729-R1264 IonicContact OE1-CZ 3.86Å; E729-R1264 IonicContact OE1-NE 2.91Å; E729-R1264 PolarHBondContact OE1-NE 2.76Å; E729-R1264 IonicContact OE2-CZ 3.44Å; E729-R1264 IonicContact OE2-NE 3.62Å; E729-R1264 PolarHBondContact OE2-NE 3.34Å; E729-R1264 IonicContact OE2-NH2 2.89Å; E729-R1264 PolarHBondContact OE2-NH2 3.24Å |
| 730 | A | 70.7 | Confident | 64.9 | Low | 2 Ų | 2 | 56.1 Ų | 56.1 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F726 E727 K728 S732 L733 L804 | F726-A730 WeakPolarHBondContact O-CB 3.41Å; F726-A730 PolarHBondContact O-N 3.12Å; F726-A730 VanDerWaalsContact O-N 3.09Å; E727-A730 PolarHBondContact O-N 2.84Å; K728-A730 PolarHBondContact O-N 3Å; A730-S732 VanDerWaalsContact C-N 3.32Å; A730-S732 PolarHBondContact O-N 2.87Å; A730-L733 WeakPolarHBondContact O-CB 3.46Å; A730-L733 PolarHBondContact O-N 2.78Å; A730-L804 HydrophobicContact CB-CD1 3.84Å; A730-L804 HydrophobicContact CB-CD2 3.71Å; A730-L804 HydrophobicContact CB-CG 3.55Å |
| 731 | L | 71.1 | Confident | 62.6 | Low | 15 Ų | 15 | 56.2 Ų | 56.2 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.6 | -32.9 | 179.3 | -72.7 | 168.4 | 0 | 0 | 0 | 113 | V715 L723 E727 K728 L733 G734 L807 I815 V826 | V715-L731 HydrophobicContact CG1-CB 4.3Å; V715-L731 HydrophobicContact CG1-CD1 4.48Å; V715-L731 HydrophobicContact CG2-CB 3.8Å; L723-L731 HydrophobicContact CD1-CD1 3.96Å; L723-L731 HydrophobicContact CD2-CD1 4.09Å; E727-L731 WeakPolarHBondContact O-CB 3.32Å; E727-L731 VanDerWaalsContact O-CG 3.28Å; E727-L731 WeakPolarHBondContact O-CG 3.39Å; E727-L731 PolarHBondContact O-N 3.36Å; K728-L731 PolarHBondContact O-N 3.15Å; L731-L733 PolarHBondContact O-N 3.44Å; L731-G734 WeakPolarHBondContact O-CA 2.96Å; L731-G734 PolarHBondContact O-N 2.92Å; L731-L807 HydrophobicContact CD1-CD1 3.71Å; L731-L807 HydrophobicContact CD2-CD1 4.15Å; L731-L807 HydrophobicContact CG-CD1 3.79Å; L731-I815 HydrophobicContact CD2-CD1 3.85Å; L731-I815 HydrophobicContact CD2-CG2 4.08Å; L731-V826 HydrophobicContact CD1-CG2 3.9Å |
| 732 | S | 68.7 | Low | 60.2 | Low | 9 Ų | 9 | 60.2 Ų | 60.2 | 6% | 0.063 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.9 | -15 | -178.5 | 69.4 | 0 | 0 | 0 | 0 | 115.2 | F709 P711 V715 K728 E729 A730 | F709-S732 WeakPolarHBondContact CE1-OG 3.09Å; P711-S732 WeakPolarHBondContact O-CB 3.41Å; V715-S732 VanDerWaalsContact CG2-CA 3.5Å; K728-S732 WeakPolarHBondContact O-CB 3.49Å; K728-S732 PolarHBondContact O-N 3.37Å; K728-S732 PolarHBondContact O-OG 2.98Å; E729-S732 PolarHBondContact O-N 2.91Å; E729-S732 PolarHBondContact O-OG 3.2Å; A730-S732 VanDerWaalsContact C-N 3.32Å; A730-S732 PolarHBondContact O-N 2.87Å |
| 733 | L | 61.9 | Low | 58 | Low | 55 Ų | 55 | 58.2 Ų | 58.2 | 29% | 0.288 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -17.7 | 167.9 | -57.3 | 174.5 | 0 | 0 | 0 | 111.6 | A730 L731 F737 L796 | A730-L733 WeakPolarHBondContact O-CB 3.46Å; A730-L733 PolarHBondContact O-N 2.78Å; L731-L733 PolarHBondContact O-N 3.44Å; L733-F737 HydrophobicContact CB-CB 3.59Å; L733-F737 HydrophobicContact CB-CD2 3.62Å; L733-F737 HydrophobicContact CB-CE2 4.47Å; L733-F737 HydrophobicContact CB-CG 3.76Å; L733-F737 HydrophobicContact CD1-CB 3.81Å; L733-F737 HydrophobicContact CD1-CG 4.21Å; L733-F737 HydrophobicContact CG-CB 4.35Å; L733-F737 VanDerWaalsContact O-CD2 3.24Å; L733-F737 WeakPolarHBondContact O-CD2 3.23Å; L733-L796 HydrophobicContact CD1-CD2 4.4Å |
| 734 | G | 61.7 | Low | 55.6 | Low | 21 Ų | 21 | 62 Ų | 62 | 22% | 0.216 | 34% | 0.335 | C | S | . | . | trans | 83.4 | 171.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L731 N736 F737 | L731-G734 WeakPolarHBondContact O-CA 2.96Å; L731-G734 PolarHBondContact O-N 2.92Å; G734-N736 PolarHBondContact O-N 3.29Å; G734-F737 PolarHBondContact O-N 3.02Å; G734-F737 VanDerWaalsContact O-N 3.08Å | ||
| 735 | F | 55.8 | Low | 53.5 | Low | 73 Ų | 73 | 63.6 Ų | 63.6 | 32% | 0.32 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -7 | -177 | -64.8 | -85 | 0 | 0 | 0 | 116.8 | S738 I815 L816 R817 V824 | F735-S738 PolarHBondContact O-OG 2.94Å; F735-I815 HydrophobicContact CE1-CB 4.34Å; F735-I815 HydrophobicContact CE1-CG2 3.76Å; F735-I815 WeakPolarHBondContact CE1-O 3.3Å; F735-I815 HydrophobicContact CZ-CG2 3.81Å; F735-I815 WeakPolarHBondContact CZ-O 3.38Å; F735-L816 WeakPolarHBondContact CZ-O 3.19Å; F735-R817 HydrophobicContact CD2-CG 4.19Å; F735-R817 HydrophobicContact CE2-CG 3.62Å; F735-R817 HydrophobicContact CZ-CG 4.36Å; F735-V824 HydrophobicContact CD2-CG2 4.07Å; F735-V824 HydrophobicContact CE2-CB 4.36Å; F735-V824 HydrophobicContact CE2-CG1 4.15Å; F735-V824 HydrophobicContact CE2-CG2 3.83Å; F735-V824 HydrophobicContact CZ-CG1 4.09Å |
| 736 | N | 47.5 | Very low | 51.6 | Low | 141 Ų | 141 | 64.3 Ų | 64.3 | 75% | 0.754 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -6.4 | 179.2 | -66.4 | 16.5 | 0 | 0 | 0 | 113.3 | G734 | G734-N736 PolarHBondContact O-N 3.29Š|
| 737 | F | 49.8 | Very low | 50 | Low | 66 Ų | 66 | 68.7 Ų | 68.7 | 29% | 0.289 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -126.3 | -0.5 | -176.5 | -61.5 | -88.4 | 0 | 0 | 0 | 113.8 | L733 G734 I795 | L733-F737 HydrophobicContact CB-CB 3.59Å; L733-F737 HydrophobicContact CB-CD2 3.62Å; L733-F737 HydrophobicContact CB-CE2 4.47Å; L733-F737 HydrophobicContact CB-CG 3.76Å; L733-F737 HydrophobicContact CD1-CB 3.81Å; L733-F737 HydrophobicContact CD1-CG 4.21Å; L733-F737 HydrophobicContact CG-CB 4.35Å; L733-F737 VanDerWaalsContact O-CD2 3.24Å; L733-F737 WeakPolarHBondContact O-CD2 3.23Å; G734-F737 PolarHBondContact O-N 3.02Å; G734-F737 VanDerWaalsContact O-N 3.08Å; F737-I795 HydrophobicContact CD1-CD1 3.72Å; F737-I795 HydrophobicContact CE1-CD1 3.68Å |
| 738 | S | 40.6 | Very low | 48.2 | Very low | 53 Ų | 53 | 70.2 Ų | 70.2 | 37% | 0.371 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -61.3 | 137.3 | 161 | 40.5 | 0 | 0 | 0 | 0 | 110.2 | F735 | F735-S738 PolarHBondContact O-OG 2.94Š|
| 739 | V | 38.5 | Very low | 46.4 | Very low | 29 Ų | 29 | 69.4 Ų | 69.4 | 18% | 0.176 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 134 | -177.1 | 167.8 | 0 | 0 | 0 | 0 | 109 | L796 F801 L804 Q808 | V739-L796 HydrophobicContact CG2-CD1 3.81Å; V739-F801 HydrophobicContact CB-CD1 4.23Å; V739-F801 HydrophobicContact CB-CE1 4.26Å; V739-F801 HydrophobicContact CG1-CD1 3.84Å; V739-F801 HydrophobicContact CG1-CE1 3.66Å; V739-F801 HydrophobicContact CG2-CD1 3.49Å; V739-F801 VanDerWaalsContact CG2-CD1 3.49Å; V739-F801 HydrophobicContact CG2-CE1 3.51Å; V739-F801 HydrophobicContact CG2-CG 4.39Å; V739-F801 HydrophobicContact CG2-CZ 4.46Å; V739-L804 HydrophobicContact CB-CD1 4.18Å; V739-L804 HydrophobicContact CG2-CD1 3.69Å; V739-Q808 PolarHBondContact O-NE2 3.18Å |
| 740 | A | 33.8 | Very low | 45.1 | Very low | 77 Ų | 77 | 72.4 Ų | 72.4 | 64% | 0.636 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 145 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T742 | A740-T742 WeakPolarHBondContact O-CG2 3.32Å; A740-T742 PolarHBondContact O-N 2.97Å |
| 741 | H | 30.3 | Very low | 43.9 | Very low | 121 Ų | 121 | 75.1 Ų | 75.1 | 56% | 0.56 | 42% | 0.422 | S | S | * | . | trans | -64.6 | 99.3 | -170.8 | -67.1 | -113.4 | 0 | 0 | 0 | 111.3 | K743 I744 Q808 | H741-K743 PolarHBondContact O-N 3.4Å; H741-I744 HydrophobicContact CB-CD1 4.3Å; H741-I744 HydrophobicContact CB-CG1 4.19Å; H741-I744 PolarHBondContact O-N 2.82Å; H741-Q808 PolarHBondContact CD2-NE2 3.42Å; H741-Q808 VanDerWaalsContact CD2-NE2 3.29Å; H741-Q808 PolarHBondContact CE1-NE2 3.38Å; H741-Q808 PolarHBondContact NE2-NE2 3.13Å | ||
| 742 | T | 30.1 | Very low | 42.6 | Very low | 93 Ų | 93 | 79.9 Ų | 79.9 | 57% | 0.571 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 40.8 | -180 | 76 | 0 | 0 | 0 | 0 | 113 | A740 K805 | A740-T742 WeakPolarHBondContact O-CG2 3.32Å; A740-T742 PolarHBondContact O-N 2.97Å; T742-K805 PolarHBondContact OG1-NZ 3.19Å |
| 743 | K | 31 | Very low | 41.8 | Very low | 203 Ų | 203 | 81.4 Ų | 81.4 | 88% | 0.883 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -152.8 | 16.6 | 174.5 | -107.4 | -159 | 175.9 | -164 | 0 | 112.7 | H741 S745 | H741-K743 PolarHBondContact O-N 3.4Å; K743-S745 PolarHBondContact O-N 2.97Å |
| 744 | I | 30.3 | Very low | 41.5 | Very low | 91 Ų | 91 | 83 Ų | 83 | 47% | 0.467 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -67.4 | 118.8 | 154.8 | -69 | 177.2 | 0 | 0 | 0 | 105.4 | H741 S748 | H741-I744 HydrophobicContact CB-CD1 4.3Å; H741-I744 HydrophobicContact CB-CG1 4.19Å; H741-I744 PolarHBondContact O-N 2.82Å; I744-S748 VanDerWaalsContact CG2-CB 3.42Å; I744-S748 WeakPolarHBondContact CG2-OG 3.49Å |
| 745 | S | 36.2 | Very low | 41.1 | Very low | 76 Ų | 76 | 84.6 Ų | 84.6 | 53% | 0.531 | 46% | 0.463 | S | S | . | . | trans | -66.5 | 157.4 | -176.7 | 43 | 0 | 0 | 0 | 0 | 111.8 | K743 L747 S748 | K743-S745 PolarHBondContact O-N 2.97Å; S745-L747 PolarHBondContact O-N 3.15Å; S745-S748 PolarHBondContact O-N 3.39Å | ||
| 746 | D | 33 | Very low | 40.9 | Very low | 88 Ų | 88 | 84.7 Ų | 84.7 | 47% | 0.471 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.4 | -32.3 | -169.5 | -47.7 | -68.5 | 0 | 0 | 0 | 112.1 | S748 I749 D750 H786 | D746-S748 PolarHBondContact O-N 3.09Å; D746-I749 CarbonylContact O-C 3.57Å; D746-I749 WeakPolarHBondContact O-CA 3.3Å; D746-I749 WeakPolarHBondContact O-CB 3.46Å; D746-I749 PolarHBondContact O-N 3.37Å; D746-D750 PolarHBondContact O-N 3.42Å; D746-H786 IonicContact OD1-NE2 2.62Å |
| 747 | L | 37.4 | Very low | 41.6 | Very low | 139 Ų | 139 | 79.6 Ų | 79.6 | 73% | 0.728 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -50.8 | -28.7 | 169.1 | -90.7 | 80 | 0 | 0 | 0 | 114.5 | S745 A751 | S745-L747 PolarHBondContact O-N 3.15Å; L747-A751 WeakPolarHBondContact O-CB 3.29Å; L747-A751 PolarHBondContact O-N 3.44Å |
| 748 | S | 39.9 | Very low | 42.2 | Very low | 44 Ų | 44 | 81.3 Ų | 81.3 | 31% | 0.308 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -92.1 | -15.7 | 177.2 | 177.2 | 0 | 0 | 0 | 0 | 113 | I744 S745 D746 Q752 | I744-S748 VanDerWaalsContact CG2-CB 3.42Å; I744-S748 WeakPolarHBondContact CG2-OG 3.49Å; S745-S748 PolarHBondContact O-N 3.39Å; D746-S748 PolarHBondContact O-N 3.09Å; S748-Q752 VanDerWaalsContact O-CB 3.28Å; S748-Q752 WeakPolarHBondContact O-CB 3.48Å; S748-Q752 WeakPolarHBondContact O-CG 3.02Å; S748-Q752 PolarHBondContact O-N 2.87Å; S748-Q752 VanDerWaalsContact O-N 3.16Å; S748-Q752 PolarHBondContact O-NE2 2.83Å; S748-Q752 PolarHBondContact OG-NE2 3.29Å |
| 749 | I | 37.4 | Very low | 43.1 | Very low | 41 Ų | 41 | 84.5 Ų | 84.5 | 21% | 0.21 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -70.9 | -50.2 | 160 | -63.8 | 179.1 | 0 | 0 | 0 | 107.6 | D746 A751 Q752 F753 | D746-I749 CarbonylContact O-C 3.57Å; D746-I749 WeakPolarHBondContact O-CA 3.3Å; D746-I749 WeakPolarHBondContact O-CB 3.46Å; D746-I749 PolarHBondContact O-N 3.37Å; I749-A751 PolarHBondContact O-N 3.21Å; I749-Q752 CarbonylContact O-C 3.08Å; I749-Q752 WeakPolarHBondContact O-CA 3.43Å; I749-Q752 WeakPolarHBondContact O-CB 3.38Å; I749-Q752 PolarHBondContact O-N 2.94Å; I749-F753 HydrophobicContact CG2-CD2 3.63Å; I749-F753 HydrophobicContact CG2-CE2 3.81Å; I749-F753 WeakPolarHBondContact O-CD2 3.31Å; I749-F753 PolarHBondContact O-N 3.05Å |
| 750 | D | 42.3 | Very low | 44.1 | Very low | 84 Ų | 84 | 86.1 Ų | 86.1 | 45% | 0.449 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.1 | -46.2 | 177.6 | -60.9 | -31.9 | 0 | 0 | 0 | 111.9 | D746 Q752 F753 E754 | D746-D750 PolarHBondContact O-N 3.42Å; D750-Q752 VanDerWaalsContact C-N 3.29Å; D750-Q752 PolarHBondContact O-N 2.72Å; D750-F753 CarbonylContact O-C 3.44Å; D750-F753 PolarHBondContact O-N 2.98Å; D750-E754 PolarHBondContact O-N 2.9Å |
| 751 | A | 44.6 | Very low | 45.2 | Very low | 59 Ų | 59 | 84.4 Ų | 84.4 | 49% | 0.488 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.1 | -28.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L747 I749 S755 | L747-A751 WeakPolarHBondContact O-CB 3.29Å; L747-A751 PolarHBondContact O-N 3.44Å; I749-A751 PolarHBondContact O-N 3.21Å; A751-S755 WeakPolarHBondContact O-CB 2.95Å; A751-S755 PolarHBondContact O-N 3.45Å |
| 752 | Q | 44.9 | Very low | 46.7 | Very low | 114 Ų | 114 | 83.6 Ų | 83.6 | 53% | 0.533 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -73.3 | -31.8 | 169.9 | -81.2 | 170.7 | 71.3 | 0 | 0 | 111.9 | S748 I749 D750 L756 | S748-Q752 VanDerWaalsContact O-CB 3.28Å; S748-Q752 WeakPolarHBondContact O-CB 3.48Å; S748-Q752 WeakPolarHBondContact O-CG 3.02Å; S748-Q752 PolarHBondContact O-N 2.87Å; S748-Q752 VanDerWaalsContact O-N 3.16Å; S748-Q752 PolarHBondContact O-NE2 2.83Å; S748-Q752 PolarHBondContact OG-NE2 3.29Å; I749-Q752 CarbonylContact O-C 3.08Å; I749-Q752 WeakPolarHBondContact O-CA 3.43Å; I749-Q752 WeakPolarHBondContact O-CB 3.38Å; I749-Q752 PolarHBondContact O-N 2.94Å; D750-Q752 VanDerWaalsContact C-N 3.29Å; D750-Q752 PolarHBondContact O-N 2.72Å; Q752-L756 WeakPolarHBondContact O-CB 3.05Å; Q752-L756 PolarHBondContact O-N 3.43Å |
| 753 | F | 51.8 | Low | 47.9 | Very low | 42 Ų | 42 | 84.3 Ų | 84.3 | 18% | 0.184 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -80.4 | -39.2 | 178.4 | -92.6 | -82.1 | 0 | 0 | 0 | 113.4 | I749 D750 L756 Y757 L778 V781 | I749-F753 HydrophobicContact CG2-CD2 3.63Å; I749-F753 HydrophobicContact CG2-CE2 3.81Å; I749-F753 WeakPolarHBondContact O-CD2 3.31Å; I749-F753 PolarHBondContact O-N 3.05Å; D750-F753 CarbonylContact O-C 3.44Å; D750-F753 PolarHBondContact O-N 2.98Å; F753-L756 CarbonylContact O-C 3.54Å; F753-L756 WeakPolarHBondContact O-CB 3.39Å; F753-L756 PolarHBondContact O-N 3.11Å; F753-Y757 WeakPolarHBondContact O-CB 3.36Å; F753-Y757 PolarHBondContact O-N 3.36Å; F753-L778 HydrophobicContact CD1-CB 3.84Å; F753-L778 HydrophobicContact CD1-CD2 3.73Å; F753-L778 HydrophobicContact CD1-CG 4.27Å; F753-L778 HydrophobicContact CE1-CB 4.29Å; F753-L778 HydrophobicContact CE1-CD2 3.87Å; F753-L778 WeakPolarHBondContact CE1-O 3.49Å; F753-V781 HydrophobicContact CE1-CB 4.18Å; F753-V781 HydrophobicContact CE1-CG1 4.18Å; F753-V781 HydrophobicContact CZ-CB 4.21Å; F753-V781 HydrophobicContact CZ-CG1 3.78Å |
| 754 | E | 53.9 | Low | 49.1 | Very low | 88 Ų | 88 | 76.2 Ų | 76.2 | 41% | 0.411 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.3 | -39.3 | 167.2 | -78.6 | -70.8 | 166.6 | 0 | 0 | 110.2 | D750 L756 Y757 D758 K775 | D750-E754 PolarHBondContact O-N 2.9Å; E754-L756 VanDerWaalsContact C-N 3.31Å; E754-L756 PolarHBondContact O-N 3.5Å; E754-Y757 CarbonylContact O-C 3.4Å; E754-Y757 WeakPolarHBondContact O-CB 3.39Å; E754-Y757 PolarHBondContact O-N 2.72Å; E754-Y757 VanDerWaalsContact O-N 3.16Å; E754-D758 PolarHBondContact O-N 3.48Å; E754-K775 WeakPolarHBondContact OE1-CE 3.12Å; E754-K775 IonicContact OE1-NZ 3.12Å; E754-K775 PolarHBondContact OE1-NZ 2.99Å; E754-K775 IonicContact OE2-NZ 2.73Å |
| 755 | S | 53.3 | Low | 49.9 | Very low | 55 Ų | 55 | 74 Ų | 74 | 39% | 0.385 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66 | -31.4 | 170.7 | -169.6 | 0 | 0 | 0 | 0 | 112.9 | A751 Q759 | A751-S755 WeakPolarHBondContact O-CB 2.95Å; A751-S755 PolarHBondContact O-N 3.45Å; S755-Q759 WeakPolarHBondContact O-CB 3.34Å; S755-Q759 WeakPolarHBondContact O-CG 3.5Å; S755-Q759 PolarHBondContact O-N 2.85Å; S755-Q759 PolarHBondContact O-NE2 3.06Å; S755-Q759 VanDerWaalsContact O-NE2 3.08Å; S755-Q759 PolarHBondContact OG-NE2 3.44Å |
| 756 | L | 52 | Low | 50.9 | Low | 74 Ų | 74 | 76.9 Ų | 76.9 | 39% | 0.387 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.7 | -39.2 | 170.7 | -137.5 | 77.2 | 0 | 0 | 0 | 111.3 | Q752 F753 E754 Q759 L760 L778 | Q752-L756 WeakPolarHBondContact O-CB 3.05Å; Q752-L756 PolarHBondContact O-N 3.43Å; F753-L756 CarbonylContact O-C 3.54Å; F753-L756 WeakPolarHBondContact O-CB 3.39Å; F753-L756 PolarHBondContact O-N 3.11Å; E754-L756 VanDerWaalsContact C-N 3.31Å; E754-L756 PolarHBondContact O-N 3.5Å; L756-Q759 PolarHBondContact O-N 3.43Å; L756-L760 HydrophobicContact CD2-CD1 4.24Å; L756-L760 HydrophobicContact CG-CD1 4.08Å; L756-L760 VanDerWaalsContact O-CB 3.29Å; L756-L760 WeakPolarHBondContact O-CB 3.22Å; L756-L760 WeakPolarHBondContact O-CD1 3.47Å; L756-L760 WeakPolarHBondContact O-CG 3.41Å; L756-L760 PolarHBondContact O-N 2.85Å; L756-L778 HydrophobicContact CB-CD2 4.47Å; L756-L778 HydrophobicContact CD2-CD2 3.88Å |
| 757 | Y | 62.4 | Low | 52.1 | Low | 34 Ų | 34 | 76.5 Ų | 76.5 | 13% | 0.133 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61 | -52.1 | 174.6 | -176.8 | -108.3 | 0 | 0 | 0 | 109.9 | F753 E754 Q759 L760 N761 L774 K775 L778 | F753-Y757 WeakPolarHBondContact O-CB 3.36Å; F753-Y757 PolarHBondContact O-N 3.36Å; E754-Y757 CarbonylContact O-C 3.4Å; E754-Y757 WeakPolarHBondContact O-CB 3.39Å; E754-Y757 PolarHBondContact O-N 2.72Å; E754-Y757 VanDerWaalsContact O-N 3.16Å; Y757-Q759 VanDerWaalsContact C-N 3.28Å; Y757-Q759 PolarHBondContact O-N 2.88Å; Y757-L760 PolarHBondContact O-N 3.33Å; Y757-L760 VanDerWaalsContact O-N 3.07Å; Y757-N761 WeakPolarHBondContact O-CA 3.45Å; Y757-N761 WeakPolarHBondContact O-CB 2.96Å; Y757-N761 PolarHBondContact O-N 3.2Å; Y757-L774 HydrophobicContact CD2-CD2 3.84Å; Y757-L774 HydrophobicContact CD2-CG 4.06Å; Y757-L774 HydrophobicContact CE2-CD2 4Å; Y757-L774 HydrophobicContact CE2-CG 4.3Å; Y757-K775 HydrophobicContact CD2-CB 4.43Å; Y757-K775 HydrophobicContact CD2-CG 4.1Å; Y757-K775 HydrophobicContact CE1-CD 4.42Å; Y757-K775 HydrophobicContact CE2-CB 3.92Å; Y757-K775 HydrophobicContact CE2-CD 4.04Å; Y757-K775 HydrophobicContact CE2-CG 3.83Å; Y757-L778 HydrophobicContact CD2-CD1 3.88Å; Y757-L778 HydrophobicContact CG-CD1 4.26Å |
| 758 | D | 63.6 | Low | 53.1 | Low | 103 Ų | 103 | 75.5 Ų | 75.5 | 55% | 0.551 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64 | -26.7 | 176.9 | -82.2 | -15.8 | 0 | 0 | 0 | 114.1 | E754 P762 | E754-D758 PolarHBondContact O-N 3.48Å; D758-P762 WeakPolarHBondContact O-CD 3.38Å; D758-P762 WeakPolarHBondContact O-CG 3.18Å |
| 759 | Q | 58.4 | Low | 54 | Low | 120 Ų | 120 | 79.4 Ų | 79.4 | 56% | 0.561 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -77.1 | -29.6 | 171.9 | -76.9 | 169.1 | 59.3 | 0 | 0 | 113.2 | S755 L756 Y757 | S755-Q759 WeakPolarHBondContact O-CB 3.34Å; S755-Q759 WeakPolarHBondContact O-CG 3.5Å; S755-Q759 PolarHBondContact O-N 2.85Å; S755-Q759 PolarHBondContact O-NE2 3.06Å; S755-Q759 VanDerWaalsContact O-NE2 3.08Å; S755-Q759 PolarHBondContact OG-NE2 3.44Å; L756-Q759 PolarHBondContact O-N 3.43Å; Y757-Q759 VanDerWaalsContact C-N 3.28Å; Y757-Q759 PolarHBondContact O-N 2.88Å |
| 760 | L | 58.9 | Low | 55.1 | Low | 63 Ų | 63 | 81.7 Ų | 81.7 | 33% | 0.33 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -97.7 | -28.7 | -176 | -67.8 | 170.1 | 0 | 0 | 0 | 113.3 | L756 Y757 L763 V764 L774 | L756-L760 HydrophobicContact CD2-CD1 4.24Å; L756-L760 HydrophobicContact CG-CD1 4.08Å; L756-L760 VanDerWaalsContact O-CB 3.29Å; L756-L760 WeakPolarHBondContact O-CB 3.22Å; L756-L760 WeakPolarHBondContact O-CD1 3.47Å; L756-L760 WeakPolarHBondContact O-CG 3.41Å; L756-L760 PolarHBondContact O-N 2.85Å; Y757-L760 PolarHBondContact O-N 3.33Å; Y757-L760 VanDerWaalsContact O-N 3.07Å; L760-L763 CarbonylContact O-C 3.48Å; L760-L763 WeakPolarHBondContact O-CA 3.25Å; L760-L763 WeakPolarHBondContact O-CB 3.42Å; L760-L763 PolarHBondContact O-N 2.94Å; L760-V764 WeakPolarHBondContact O-CG2 3.21Å; L760-V764 PolarHBondContact O-N 3.27Å; L760-L774 HydrophobicContact CB-CD1 4.13Å; L760-L774 HydrophobicContact CB-CD2 3.86Å; L760-L774 HydrophobicContact CD1-CD1 4Å |
| 761 | N | 58.6 | Low | 56 | Low | 40 Ų | 40 | 81 Ų | 81 | 21% | 0.214 | 44% | 0.439 | C | S | . | . | G | 310 helix | trans | -56.9 | -38.5 | 179.4 | 175.5 | 21.9 | 0 | 0 | 0 | 113.3 | Y757 L763 K771 | Y757-N761 WeakPolarHBondContact O-CA 3.45Å; Y757-N761 WeakPolarHBondContact O-CB 2.96Å; Y757-N761 PolarHBondContact O-N 3.2Å; N761-L763 VanDerWaalsContact C-N 3.29Å; N761-L763 PolarHBondContact O-N 3.08Å; N761-K771 WeakPolarHBondContact OD1-CE 3.46Å |
| 762 | P | 60.1 | Low | 56.8 | Low | 104 Ų | 104 | 82.3 Ų | 82.3 | 68% | 0.675 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -71.3 | -20 | 171.8 | -18.6 | 33 | 0 | 0 | 0 | 114.4 | D758 | D758-P762 WeakPolarHBondContact O-CD 3.38Å; D758-P762 WeakPolarHBondContact O-CG 3.18Å |
| 763 | L | 56.4 | Low | 57.9 | Low | 109 Ų | 109 | 83.1 Ų | 83.1 | 57% | 0.571 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -95.4 | 9.1 | -176.3 | -62.1 | 172.3 | 0 | 0 | 0 | 112.8 | L760 N761 Y1618 | L760-L763 CarbonylContact O-C 3.48Å; L760-L763 WeakPolarHBondContact O-CA 3.25Å; L760-L763 WeakPolarHBondContact O-CB 3.42Å; L760-L763 PolarHBondContact O-N 2.94Å; N761-L763 VanDerWaalsContact C-N 3.29Å; N761-L763 PolarHBondContact O-N 3.08Å; L763-Y1618 HydrophobicContact CD2-CE1 4.48Å |
| 764 | V | 55.6 | Low | 58.4 | Low | 33 Ų | 33 | 81.7 Ų | 81.7 | 20% | 0.2 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -124.6 | 116.3 | -176.6 | 173 | 0 | 0 | 0 | 0 | 110.1 | L760 K770 L774 | L760-V764 WeakPolarHBondContact O-CG2 3.21Å; L760-V764 PolarHBondContact O-N 3.27Å; V764-K770 HydrophobicContact CG1-CB 3.52Å; V764-K770 HydrophobicContact CG1-CD 4.28Å; V764-L774 HydrophobicContact CG2-CD2 4.44Å |
| 765 | P | 47.8 | Very low | 58.7 | Low | 45 Ų | 45 | 81.6 Ų | 81.6 | 29% | 0.292 | 43% | 0.428 | S | S | . | . | trans | -57.1 | 152.2 | -180 | -28.9 | 35.3 | 0 | 0 | 0 | 114.9 | T767 D1622 | P765-T767 VanDerWaalsContact C-N 3.28Å; P765-T767 PolarHBondContact O-N 3.41Å; P765-D1622 VanDerWaalsContact CG-CG 3.49Å; P765-D1622 VanDerWaalsContact CG-OD1 3.23Å; P765-D1622 WeakPolarHBondContact CG-OD1 3.33Å; P765-D1622 WeakPolarHBondContact CG-OD2 3.47Å | ||
| 766 | T | 57 | Low | 59.3 | Low | 136 Ų | 136 | 82.8 Ų | 82.8 | 83% | 0.834 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -72.1 | 7.9 | -153.1 | 42.3 | 0 | 0 | 0 | 0 | 118.1 | L768 | T766-L768 PolarHBondContact O-N 2.89Š|
| 767 | T | 58 | Low | 59.7 | Low | 80 Ų | 80 | 83.7 Ų | 83.7 | 49% | 0.491 | 43% | 0.434 | S | S | . | . | trans | -68.2 | 124 | 171.8 | 50.2 | 0 | 0 | 0 | 0 | 110.6 | P765 D769 K770 | P765-T767 VanDerWaalsContact C-N 3.28Å; P765-T767 PolarHBondContact O-N 3.41Å; T767-D769 PolarHBondContact O-N 3.14Å; T767-D769 VanDerWaalsContact O-N 3.11Å; T767-K770 PolarHBondContact O-N 2.87Å | ||
| 768 | L | 57.7 | Low | 59.3 | Low | 117 Ų | 117 | 83.2 Ų | 83.2 | 61% | 0.613 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -53 | -36.6 | -172.9 | -175.3 | 61.4 | 0 | 0 | 0 | 113.3 | T766 K770 K771 N772 | T766-L768 PolarHBondContact O-N 2.89Å; L768-K770 VanDerWaalsContact C-N 3.27Å; L768-K770 PolarHBondContact O-N 2.9Å; L768-K771 WeakPolarHBondContact O-CB 3.38Å; L768-K771 PolarHBondContact O-N 2.83Å; L768-K771 VanDerWaalsContact O-N 3.1Å; L768-N772 PolarHBondContact O-N 2.74Å |
| 769 | D | 59.8 | Low | 59.1 | Low | 127 Ų | 127 | 81.9 Ų | 81.9 | 68% | 0.679 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -58.3 | -35.4 | 177.3 | -58.3 | -43.3 | 0 | 0 | 0 | 113.3 | T767 W773 | T767-D769 PolarHBondContact O-N 3.14Å; T767-D769 VanDerWaalsContact O-N 3.11Å; D769-W773 WeakPolarHBondContact O-CB 3.3Å; D769-W773 PolarHBondContact O-N 2.99Å |
| 770 | K | 60.4 | Low | 58.8 | Low | 88 Ų | 88 | 78.9 Ų | 78.9 | 38% | 0.383 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -73 | -33.7 | 177.4 | -69.6 | -173.8 | 176.3 | -178.9 | 0 | 112.1 | V764 T767 L768 L774 | V764-K770 HydrophobicContact CG1-CB 3.52Å; V764-K770 HydrophobicContact CG1-CD 4.28Å; T767-K770 PolarHBondContact O-N 2.87Å; L768-K770 VanDerWaalsContact C-N 3.27Å; L768-K770 PolarHBondContact O-N 2.9Å; K770-L774 WeakPolarHBondContact O-CB 3.36Å; K770-L774 PolarHBondContact O-N 3.17Å |
| 771 | K | 60.6 | Low | 58.3 | Low | 71 Ų | 71 | 79.3 Ų | 79.3 | 31% | 0.309 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.8 | -47.9 | 171 | -97 | 175.5 | 168.2 | 172.6 | 0 | 111.4 | N761 L768 L774 K775 | N761-K771 WeakPolarHBondContact OD1-CE 3.46Å; L768-K771 WeakPolarHBondContact O-CB 3.38Å; L768-K771 PolarHBondContact O-N 2.83Å; L768-K771 VanDerWaalsContact O-N 3.1Å; K771-L774 PolarHBondContact O-N 3.16Å; K771-K775 PolarHBondContact O-N 3.43Å |
| 772 | N | 62.7 | Low | 57.6 | Low | 86 Ų | 86 | 78.1 Ų | 78.1 | 46% | 0.46 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 177.3 | -71.6 | -13.1 | 0 | 0 | 0 | 111.3 | L768 L774 K775 V776 | L768-N772 PolarHBondContact O-N 2.74Å; N772-L774 PolarHBondContact O-N 3.03Å; N772-K775 PolarHBondContact O-N 3.05Å; N772-V776 WeakPolarHBondContact O-CB 3.06Å; N772-V776 VanDerWaalsContact O-CG2 3.29Å; N772-V776 WeakPolarHBondContact O-CG2 3.39Å; N772-V776 PolarHBondContact O-N 3.11Å |
| 773 | W | 67 | Low | 56.9 | Low | 130 Ų | 130 | 79.5 Ų | 79.5 | 49% | 0.492 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -57.8 | -44.7 | 172.8 | 173.7 | 92.1 | 0 | 0 | 0 | 112.2 | D769 K777 V1632 | D769-W773 WeakPolarHBondContact O-CB 3.3Å; D769-W773 PolarHBondContact O-N 2.99Å; W773-K777 HydrophobicContact CD2-CG 4.31Å; W773-K777 HydrophobicContact CZ2-CG 4.34Å; W773-K777 VanDerWaalsContact O-CB 3.26Å; W773-K777 WeakPolarHBondContact O-CB 3.33Å; W773-K777 VanDerWaalsContact O-CG 3.3Å; W773-K777 WeakPolarHBondContact O-CG 3.45Å; W773-K777 PolarHBondContact O-N 2.93Å; W773-V1632 HydrophobicContact CH2-CG2 4.32Å; W773-V1632 HydrophobicContact CZ2-CG2 4.44Å |
| 774 | L | 61.8 | Low | 56.4 | Low | 13 Ų | 13 | 81 Ų | 81 | 7% | 0.068 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 176 | 178.5 | 66.5 | 0 | 0 | 0 | 110.6 | Y757 L760 V764 K770 K771 N772 K777 L778 | Y757-L774 HydrophobicContact CD2-CD2 3.84Å; Y757-L774 HydrophobicContact CD2-CG 4.06Å; Y757-L774 HydrophobicContact CE2-CD2 4Å; Y757-L774 HydrophobicContact CE2-CG 4.3Å; L760-L774 HydrophobicContact CB-CD1 4.13Å; L760-L774 HydrophobicContact CB-CD2 3.86Å; L760-L774 HydrophobicContact CD1-CD1 4Å; V764-L774 HydrophobicContact CG2-CD2 4.44Å; K770-L774 WeakPolarHBondContact O-CB 3.36Å; K770-L774 PolarHBondContact O-N 3.17Å; K771-L774 PolarHBondContact O-N 3.16Å; N772-L774 PolarHBondContact O-N 3.03Å; L774-K777 PolarHBondContact O-N 2.87Å; L774-L778 HydrophobicContact CD1-CD1 4.36Å; L774-L778 HydrophobicContact CD1-CG 4.44Å; L774-L778 HydrophobicContact CG-CD1 4.27Å; L774-L778 WeakPolarHBondContact O-CG 3.15Å; L774-L778 PolarHBondContact O-N 2.93Å |
| 775 | K | 61.2 | Low | 55.8 | Low | 85 Ų | 85 | 85.8 Ų | 85.8 | 37% | 0.37 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | -178.1 | -141.3 | 171 | -167.7 | -177.7 | 0 | 112 | E754 Y757 K771 N772 K777 L778 V779 | E754-K775 WeakPolarHBondContact OE1-CE 3.12Å; E754-K775 IonicContact OE1-NZ 3.12Å; E754-K775 PolarHBondContact OE1-NZ 2.99Å; E754-K775 IonicContact OE2-NZ 2.73Å; Y757-K775 HydrophobicContact CD2-CB 4.43Å; Y757-K775 HydrophobicContact CD2-CG 4.1Å; Y757-K775 HydrophobicContact CE1-CD 4.42Å; Y757-K775 HydrophobicContact CE2-CB 3.92Å; Y757-K775 HydrophobicContact CE2-CD 4.04Å; Y757-K775 HydrophobicContact CE2-CG 3.83Å; K771-K775 PolarHBondContact O-N 3.43Å; N772-K775 PolarHBondContact O-N 3.05Å; K775-K777 PolarHBondContact O-N 3.21Å; K775-L778 PolarHBondContact O-N 2.9Å; K775-V779 WeakPolarHBondContact O-CG2 3.15Å; K775-V779 PolarHBondContact O-N 3.05Å |
| 776 | V | 65.3 | Low | 55.4 | Low | 81 Ų | 81 | 88.5 Ų | 88.5 | 49% | 0.491 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 172.6 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | N772 L778 V779 D780 | N772-V776 WeakPolarHBondContact O-CB 3.06Å; N772-V776 VanDerWaalsContact O-CG2 3.29Å; N772-V776 WeakPolarHBondContact O-CG2 3.39Å; N772-V776 PolarHBondContact O-N 3.11Å; V776-L778 PolarHBondContact O-N 3.08Å; V776-V779 PolarHBondContact O-N 2.82Å; V776-D780 WeakPolarHBondContact O-CB 3.2Å; V776-D780 VanDerWaalsContact O-CG 3.27Å; V776-D780 PolarHBondContact O-N 3.02Å |
| 777 | K | 59.9 | Low | 54.2 | Low | 93 Ų | 93 | 85.1 Ų | 85.1 | 40% | 0.404 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.7 | -32.2 | 178.5 | -79.5 | -79.4 | 161.5 | -96.3 | 0 | 113.5 | W773 L774 K775 D780 V781 | W773-K777 HydrophobicContact CD2-CG 4.31Å; W773-K777 HydrophobicContact CZ2-CG 4.34Å; W773-K777 VanDerWaalsContact O-CB 3.26Å; W773-K777 WeakPolarHBondContact O-CB 3.33Å; W773-K777 VanDerWaalsContact O-CG 3.3Å; W773-K777 WeakPolarHBondContact O-CG 3.45Å; W773-K777 PolarHBondContact O-N 2.93Å; L774-K777 PolarHBondContact O-N 2.87Å; K775-K777 PolarHBondContact O-N 3.21Å; K777-D780 IonicContact NZ-OD2 2.73Å; K777-D780 PolarHBondContact NZ-OD2 3.42Å; K777-V781 VanDerWaalsContact O-CG2 3.26Å; K777-V781 WeakPolarHBondContact O-CG2 3.15Å; K777-V781 PolarHBondContact O-N 2.66Å |
| 778 | L | 55.5 | Low | 52.8 | Low | 23 Ų | 23 | 85 Ų | 85 | 12% | 0.12 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -68.2 | -43.3 | 172.1 | -69.9 | 176.7 | 0 | 0 | 0 | 110.9 | F753 L756 Y757 L774 K775 V776 V781 A782 | F753-L778 HydrophobicContact CD1-CB 3.84Å; F753-L778 HydrophobicContact CD1-CD2 3.73Å; F753-L778 HydrophobicContact CD1-CG 4.27Å; F753-L778 HydrophobicContact CE1-CB 4.29Å; F753-L778 HydrophobicContact CE1-CD2 3.87Å; F753-L778 WeakPolarHBondContact CE1-O 3.49Å; L756-L778 HydrophobicContact CB-CD2 4.47Å; L756-L778 HydrophobicContact CD2-CD2 3.88Å; Y757-L778 HydrophobicContact CD2-CD1 3.88Å; Y757-L778 HydrophobicContact CG-CD1 4.26Å; L774-L778 HydrophobicContact CD1-CD1 4.36Å; L774-L778 HydrophobicContact CD1-CG 4.44Å; L774-L778 HydrophobicContact CG-CD1 4.27Å; L774-L778 WeakPolarHBondContact O-CG 3.15Å; L774-L778 PolarHBondContact O-N 2.93Å; K775-L778 PolarHBondContact O-N 2.9Å; V776-L778 PolarHBondContact O-N 3.08Å; L778-V781 PolarHBondContact O-N 3.27Å; L778-A782 PolarHBondContact O-N 3.33Å |
| 779 | V | 59.3 | Low | 51.4 | Low | 75 Ų | 75 | 87.5 Ų | 87.5 | 46% | 0.455 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 173.9 | 169.8 | 0 | 0 | 0 | 0 | 112.3 | K775 V776 V781 A782 H783 | K775-V779 WeakPolarHBondContact O-CG2 3.15Å; K775-V779 PolarHBondContact O-N 3.05Å; V776-V779 PolarHBondContact O-N 2.82Å; V779-V781 VanDerWaalsContact C-N 3.29Å; V779-V781 PolarHBondContact O-N 3.47Å; V779-A782 PolarHBondContact O-N 3.13Å; V779-H783 PolarHBondContact O-CD2 3.17Å; V779-H783 PolarHBondContact O-N 3.29Å |
| 780 | D | 51.8 | Low | 49.9 | Very low | 58 Ų | 58 | 86.9 Ų | 86.9 | 31% | 0.31 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -56.2 | -42.5 | 174.1 | -78.4 | -34.4 | 0 | 0 | 0 | 112 | V776 K777 H784 | V776-D780 WeakPolarHBondContact O-CB 3.2Å; V776-D780 VanDerWaalsContact O-CG 3.27Å; V776-D780 PolarHBondContact O-N 3.02Å; K777-D780 IonicContact NZ-OD2 2.73Å; K777-D780 PolarHBondContact NZ-OD2 3.42Å; D780-H784 WeakPolarHBondContact O-CB 3.28Å; D780-H784 PolarHBondContact O-N 3.43Å; D780-H784 PolarHBondContact O-ND1 2.97Å |
| 781 | V | 46.7 | Very low | 48.5 | Very low | 72 Ų | 72 | 91.2 Ų | 91.2 | 44% | 0.436 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -73.4 | -38.3 | 179.8 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | F753 K777 L778 V779 H784 F785 | F753-V781 HydrophobicContact CE1-CB 4.18Å; F753-V781 HydrophobicContact CE1-CG1 4.18Å; F753-V781 HydrophobicContact CZ-CB 4.21Å; F753-V781 HydrophobicContact CZ-CG1 3.78Å; K777-V781 VanDerWaalsContact O-CG2 3.26Å; K777-V781 WeakPolarHBondContact O-CG2 3.15Å; K777-V781 PolarHBondContact O-N 2.66Å; L778-V781 PolarHBondContact O-N 3.27Å; V779-V781 VanDerWaalsContact C-N 3.29Å; V779-V781 PolarHBondContact O-N 3.47Å; V781-H784 PolarHBondContact O-N 2.75Å; V781-F785 WeakPolarHBondContact O-CB 3.46Å; V781-F785 PolarHBondContact O-N 2.67Å |
| 782 | A | 44.5 | Very low | 47.2 | Very low | 15 Ų | 15 | 93.6 Ų | 93.6 | 12% | 0.124 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62.3 | -44 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L778 V779 F785 H786 | L778-A782 PolarHBondContact O-N 3.33Å; V779-A782 PolarHBondContact O-N 3.13Å; A782-F785 WeakPolarHBondContact O-CB 3.47Å; A782-F785 PolarHBondContact O-N 2.72Å; A782-H786 PolarHBondContact O-N 3.23Å; A782-H786 VanDerWaalsContact O-N 3.16Å; A782-H786 PolarHBondContact O-ND1 2.86Å |
| 783 | H | 46.4 | Very low | 45.7 | Very low | 132 Ų | 132 | 93.4 Ų | 93.4 | 61% | 0.611 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -69 | -36.7 | 174 | -78.1 | -68 | 0 | 0 | 0 | 112.9 | V779 F785 H786 G787 | V779-H783 PolarHBondContact O-CD2 3.17Å; V779-H783 PolarHBondContact O-N 3.29Å; H783-F785 VanDerWaalsContact C-N 3.26Å; H783-F785 PolarHBondContact O-N 2.95Å; H783-H786 PolarHBondContact O-N 3.17Å; H783-G787 PolarHBondContact O-N 3.46Å |
| 784 | H | 45.9 | Very low | 44.5 | Very low | 142 Ų | 142 | 87.8 Ų | 87.8 | 66% | 0.657 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -65.1 | -28.8 | 171.3 | -94.1 | 80.5 | 0 | 0 | 0 | 113 | D780 V781 | D780-H784 WeakPolarHBondContact O-CB 3.28Å; D780-H784 PolarHBondContact O-N 3.43Å; D780-H784 PolarHBondContact O-ND1 2.97Å; V781-H784 PolarHBondContact O-N 2.75Å |
| 785 | F | 41.7 | Very low | 43.7 | Very low | 132 Ų | 132 | 88.2 Ų | 88.2 | 58% | 0.579 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -69.2 | -40 | 173.5 | -126.5 | -92.9 | 0 | 0 | 0 | 111.8 | V781 A782 H783 | V781-F785 WeakPolarHBondContact O-CB 3.46Å; V781-F785 PolarHBondContact O-N 2.67Å; A782-F785 WeakPolarHBondContact O-CB 3.47Å; A782-F785 PolarHBondContact O-N 2.72Å; H783-F785 VanDerWaalsContact C-N 3.26Å; H783-F785 PolarHBondContact O-N 2.95Å |
| 786 | H | 39.6 | Very low | 43.2 | Very low | 102 Ų | 102 | 84.3 Ų | 84.3 | 47% | 0.472 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.6 | -49.3 | 175 | -76.4 | 88.7 | 0 | 0 | 0 | 112.8 | D746 A782 H783 S788 | D746-H786 IonicContact OD1-NE2 2.62Å; A782-H786 PolarHBondContact O-N 3.23Å; A782-H786 VanDerWaalsContact O-N 3.16Å; A782-H786 PolarHBondContact O-ND1 2.86Å; H783-H786 PolarHBondContact O-N 3.17Å; H786-S788 PolarHBondContact O-N 2.86Å; H786-S788 VanDerWaalsContact O-N 3.07Å |
| 787 | G | 31.6 | Very low | 42.4 | Very low | 65 Ų | 65 | 80.9 Ų | 80.9 | 67% | 0.67 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 6.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | H783 | H783-G787 PolarHBondContact O-N 3.46Š|
| 788 | S | 30.2 | Very low | 42.2 | Very low | 77 Ų | 77 | 80.5 Ų | 80.5 | 54% | 0.538 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.5 | 52.9 | 178.8 | -78.1 | 0 | 0 | 0 | 0 | 113.2 | H786 | H786-S788 PolarHBondContact O-N 2.86Å; H786-S788 VanDerWaalsContact O-N 3.07Å |
| 789 | Q | 27.4 | Very low | 42.4 | Very low | 171 Ų | 171 | 86 Ų | 86 | 80% | 0.799 | 44% | 0.443 | S | S | * | . | trans | -58.7 | 173.6 | 145.1 | -62.1 | -158.8 | 20.1 | 0 | 0 | 111 | ||||
| 790 | V | 28.7 | Very low | 42.8 | Very low | 113 Ų | 113 | 83 Ų | 83 | 69% | 0.685 | 43% | 0.425 | S | S | * | . | S | Bend | trans | 80.9 | 108.2 | 177.5 | -170.7 | 0 | 0 | 0 | 0 | 115.7 | ||
| 791 | R | 30.3 | Very low | 43.2 | Very low | 179 Ų | 179 | 82.8 Ų | 82.8 | 68% | 0.675 | 42% | 0.421 | S | S | * | . | trans | 78.8 | 30.5 | 155.6 | -65 | 168.7 | -172.7 | -174.6 | 1.8 | 120.3 | R793 E1373 D1376 | R791-R793 PolarHBondContact O-N 3.12Å; R791-E1373 WeakPolarHBondContact O-CA 3.46Å; R791-E1373 PolarHBondContact O-N 3.05Å; R791-D1376 WeakPolarHBondContact CB-OD2 3.09Å | ||
| 792 | Q | 34.5 | Very low | 44.2 | Very low | 122 Ų | 122 | 81.5 Ų | 81.5 | 57% | 0.57 | 42% | 0.418 | S | S | * | . | trans | -60.7 | 75.1 | 148.8 | -60.3 | -177.6 | 19.8 | 0 | 0 | 113 | S794 F801 | Q792-S794 PolarHBondContact O-N 2.92Å; Q792-F801 WeakPolarHBondContact O-CE2 3.28Å | ||
| 793 | R | 30.6 | Very low | 45.4 | Very low | 81 Ų | 81 | 80.9 Ų | 80.9 | 31% | 0.306 | 41% | 0.413 | S | S | . | . | trans | -67.1 | 67.1 | 164.8 | -58 | -170.4 | -175.1 | -179.8 | 1 | 112.5 | R791 D1354 N1370 C1372 E1373 | R791-R793 PolarHBondContact O-N 3.12Å; R793-D1354 PolarHBondContact NH1-O 3.34Å; R793-N1370 HydrophobicContact CB-CB 3.39Å; R793-N1370 HydrophobicContact CG-CB 4.19Å; R793-N1370 WeakPolarHBondContact O-CB 3.3Å; R793-N1370 PolarHBondContact O-ND2 3.42Å; R793-C1372 HydrophobicContact CG-CB 3.97Å; R793-C1372 PolarHBondContact NH2-SG 2.83Å; R793-E1373 VanDerWaalsContact C-CB 3.43Å; R793-E1373 HydrophobicContact CB-CB 3.94Å; R793-E1373 WeakPolarHBondContact O-CB 3.47Å | ||
| 794 | S | 41.6 | Very low | 46.6 | Very low | 13 Ų | 13 | 74.9 Ų | 74.9 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | trans | -52.9 | -163.6 | -167.8 | 81 | 0 | 0 | 0 | 0 | 118.2 | Q792 L796 F801 L1260 N1370 E1373 | Q792-S794 PolarHBondContact O-N 2.92Å; S794-L796 PolarHBondContact O-N 3.13Å; S794-L796 WeakPolarHBondContact OG-CB 3.41Å; S794-L796 PolarHBondContact OG-N 3.3Å; S794-L796 VanDerWaalsContact OG-N 3.12Å; S794-F801 WeakPolarHBondContact OG-CE2 3.3Å; S794-F801 WeakPolarHBondContact OG-CZ 3.47Å; S794-L1260 CarbonylContact O-C 3.49Å; S794-N1370 PolarHBondContact O-ND2 2.84Å; S794-E1373 VanDerWaalsContact CA-OE2 3.24Å; S794-E1373 WeakPolarHBondContact CA-OE2 3.38Å | ||
| 795 | I | 45.7 | Very low | 47.5 | Very low | 21 Ų | 21 | 73.5 Ų | 73.5 | 11% | 0.108 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -51.1 | -14.5 | 167.5 | -149.6 | 148.6 | 0 | 0 | 0 | 113.1 | F737 N1259 L1260 S1261 I1447 | F737-I795 HydrophobicContact CD1-CD1 3.72Å; F737-I795 HydrophobicContact CE1-CD1 3.68Å; I795-N1259 WeakPolarHBondContact CG1-O 3.03Å; I795-L1260 VanDerWaalsContact C-C 3.43Å; I795-L1260 VanDerWaalsContact CA-CA 3.44Å; I795-L1260 HydrophobicContact CB-CB 4.43Å; I795-L1260 HydrophobicContact CB-CD2 3.55Å; I795-L1260 HydrophobicContact CB-CG 4.19Å; I795-L1260 HydrophobicContact CD1-CD2 3.75Å; I795-L1260 HydrophobicContact CD1-CG 3.96Å; I795-L1260 HydrophobicContact CG1-CB 4.02Å; I795-L1260 HydrophobicContact CG1-CD2 3.54Å; I795-L1260 HydrophobicContact CG1-CG 3.68Å; I795-L1260 CarbonylContact O-C 3.57Å; I795-L1260 VanDerWaalsContact O-CA 3.3Å; I795-L1260 WeakPolarHBondContact O-CA 3.18Å; I795-S1261 PolarHBondContact O-N 3.32Å; I795-S1261 VanDerWaalsContact O-N 3.13Å; I795-I1447 HydrophobicContact CD1-CD1 3.7Å |
| 796 | L | 50 | Low | 49.1 | Very low | 3 Ų | 3 | 71.5 Ų | 71.5 | 2% | 0.016 | 37% | 0.373 | C | S | . | . | B | Isolated β-bridge | trans | -121.4 | 149.2 | -169.9 | -59.2 | -175.8 | 0 | 0 | 0 | 111.8 | L733 V739 S794 H800 F801 L804 N1370 | L733-L796 HydrophobicContact CD1-CD2 4.4Å; V739-L796 HydrophobicContact CG2-CD1 3.81Å; S794-L796 PolarHBondContact O-N 3.13Å; S794-L796 WeakPolarHBondContact OG-CB 3.41Å; S794-L796 PolarHBondContact OG-N 3.3Å; S794-L796 VanDerWaalsContact OG-N 3.12Å; L796-H800 HydrophobicContact CB-CB 3.46Å; L796-H800 VanDerWaalsContact CB-CB 3.46Å; L796-H800 HydrophobicContact CD1-CB 4.21Å; L796-H800 HydrophobicContact CD2-CB 3.85Å; L796-H800 HydrophobicContact CG-CB 3.99Å; L796-F801 HydrophobicContact CB-CD2 4.23Å; L796-L804 HydrophobicContact CD1-CD1 3.3Å; L796-L804 HydrophobicContact CD1-CG 4.48Å; L796-N1370 PolarHBondContact O-ND2 3.03Å |
| 797 | T | 49.2 | Very low | 50.8 | Low | 10 Ų | 10 | 67.2 Ų | 67.2 | 6% | 0.061 | 35% | 0.353 | C | S | . | . | trans | -53 | 154.9 | 156.5 | -24.5 | 0 | 0 | 0 | 0 | 111 | K799 H800 F801 T1262 | T797-K799 VanDerWaalsContact CB-N 3.31Å; T797-K799 HydrophobicContact CG2-CB 3.62Å; T797-K799 HydrophobicContact CG2-CD 4.23Å; T797-K799 HydrophobicContact CG2-CG 3.7Å; T797-K799 PolarHBondContact O-N 2.99Å; T797-K799 VanDerWaalsContact O-N 3.16Å; T797-H800 CarbonylContact O-C 3.58Å; T797-H800 WeakPolarHBondContact O-CA 3.4Å; T797-H800 PolarHBondContact O-N 2.99Å; T797-H800 PolarHBondContact OG1-ND1 2.78Å; T797-F801 PolarHBondContact O-N 3.44Å; T797-T1262 WeakPolarHBondContact CB-O 3.21Å; T797-T1262 HydrophobicContact CG2-CG2 3.8Å; T797-T1262 WeakPolarHBondContact CG2-O 3.13Å; T797-T1262 WeakPolarHBondContact OG1-CA 3.28Å; T797-T1262 PolarHBondContact OG1-O 2.77Å | ||
| 798 | P | 54.8 | Low | 52.5 | Low | 84 Ų | 84 | 67.1 Ų | 67.1 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -47.4 | -33.2 | 151.6 | -31 | 37.7 | 0 | 0 | 0 | 113.5 | A802 | P798-A802 WeakPolarHBondContact O-CB 3.47Å; P798-A802 PolarHBondContact O-N 1.99Å |
| 799 | K | 60.4 | Low | 54.3 | Low | 138 Ų | 138 | 68.4 Ų | 68.4 | 60% | 0.6 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67.4 | -31.8 | 170.4 | -57.1 | -176.2 | 178.6 | -173.7 | 0 | 115.2 | F726 T797 A803 | F726-K799 HydrophobicContact CD1-CB 4.34Å; F726-K799 HydrophobicContact CD2-CB 4.26Å; F726-K799 HydrophobicContact CE1-CB 4.13Å; F726-K799 HydrophobicContact CE2-CB 4.06Å; F726-K799 HydrophobicContact CE2-CD 4.02Å; F726-K799 HydrophobicContact CG-CB 4.41Å; F726-K799 HydrophobicContact CZ-CB 3.99Å; F726-K799 HydrophobicContact CZ-CD 3.75Å; T797-K799 VanDerWaalsContact CB-N 3.31Å; T797-K799 HydrophobicContact CG2-CB 3.62Å; T797-K799 HydrophobicContact CG2-CD 4.23Å; T797-K799 HydrophobicContact CG2-CG 3.7Å; T797-K799 PolarHBondContact O-N 2.99Å; T797-K799 VanDerWaalsContact O-N 3.16Å; K799-A803 VanDerWaalsContact O-CB 3.31Å; K799-A803 WeakPolarHBondContact O-CB 3.37Å; K799-A803 PolarHBondContact O-N 3.32Å |
| 800 | H | 67.2 | Low | 56.6 | Low | 13 Ų | 13 | 65 Ų | 65 | 6% | 0.06 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -84.3 | -35.3 | 177 | -88.3 | 113.4 | 0 | 0 | 0 | 110.9 | F726 E729 L796 T797 A803 L804 | F726-H800 AromaticContact CD1-CD2 3.95Å; F726-H800 AromaticContact CD1-CE1 3.64Å; F726-H800 AromaticContact CD1-CG 3.7Å; F726-H800 AromaticContact CD1-ND1 3.51Å; F726-H800 AromaticContact CD1-NE2 3.9Å; F726-H800 PolarHBondContact O-CD2 2.88Å; F726-H800 VanDerWaalsContact O-CD2 3.25Å; E729-H800 WeakPolarHBondContact CB-NE2 3.19Å; E729-H800 IonicContact OE2-CE1 3.59Å; E729-H800 IonicContact OE2-NE2 3.56Å; E729-H800 PolarHBondContact OE2-NE2 3.36Å; L796-H800 HydrophobicContact CB-CB 3.46Å; L796-H800 VanDerWaalsContact CB-CB 3.46Å; L796-H800 HydrophobicContact CD1-CB 4.21Å; L796-H800 HydrophobicContact CD2-CB 3.85Å; L796-H800 HydrophobicContact CG-CB 3.99Å; T797-H800 CarbonylContact O-C 3.58Å; T797-H800 WeakPolarHBondContact O-CA 3.4Å; T797-H800 PolarHBondContact O-N 2.99Å; T797-H800 PolarHBondContact OG1-ND1 2.78Å; H800-A803 WeakPolarHBondContact O-CB 3.31Å; H800-A803 PolarHBondContact O-N 3.23Å; H800-L804 PolarHBondContact O-N 3.26Å |
| 801 | F | 59.7 | Low | 58.7 | Low | 54 Ų | 54 | 64.4 Ų | 64.4 | 24% | 0.237 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.5 | -50.6 | 162.7 | -96.1 | -72.9 | 0 | 0 | 0 | 110.2 | V739 Q792 S794 L796 T797 A803 L804 K805 | V739-F801 HydrophobicContact CB-CD1 4.23Å; V739-F801 HydrophobicContact CB-CE1 4.26Å; V739-F801 HydrophobicContact CG1-CD1 3.84Å; V739-F801 HydrophobicContact CG1-CE1 3.66Å; V739-F801 HydrophobicContact CG2-CD1 3.49Å; V739-F801 VanDerWaalsContact CG2-CD1 3.49Å; V739-F801 HydrophobicContact CG2-CE1 3.51Å; V739-F801 HydrophobicContact CG2-CG 4.39Å; V739-F801 HydrophobicContact CG2-CZ 4.46Å; Q792-F801 WeakPolarHBondContact O-CE2 3.28Å; S794-F801 WeakPolarHBondContact OG-CE2 3.3Å; S794-F801 WeakPolarHBondContact OG-CZ 3.47Å; L796-F801 HydrophobicContact CB-CD2 4.23Å; T797-F801 PolarHBondContact O-N 3.44Å; F801-A803 VanDerWaalsContact C-N 3.34Å; F801-A803 PolarHBondContact O-N 2.98Å; F801-L804 PolarHBondContact O-N 3.22Å; F801-K805 VanDerWaalsContact O-CB 3.31Å; F801-K805 WeakPolarHBondContact O-CB 3.16Å; F801-K805 PolarHBondContact O-N 3.35Å |
| 802 | A | 68.1 | Low | 61.2 | Low | 44 Ų | 44 | 58.8 Ų | 58.8 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | P798 L804 K805 N806 | P798-A802 WeakPolarHBondContact O-CB 3.47Å; P798-A802 PolarHBondContact O-N 1.99Å; A802-L804 PolarHBondContact O-N 3.03Å; A802-K805 CarbonylContact O-C 3.11Å; A802-K805 PolarHBondContact O-N 3.49Å; A802-N806 WeakPolarHBondContact O-CB 3.26Å; A802-N806 PolarHBondContact O-N 3.23Å; A802-N806 PolarHBondContact O-OD1 3.32Å; A802-N806 VanDerWaalsContact O-OD1 3.05Å |
| 803 | A | 70.5 | Confident | 63.5 | Low | 3 Ų | 3 | 53.6 Ų | 53.6 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.9 | -47.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | F726 E727 K799 H800 F801 K805 N806 L807 | F726-A803 HydrophobicContact CB-CB 3.5Å; F726-A803 VanDerWaalsContact CB-CB 3.5Å; E727-A803 HydrophobicContact CB-CB 4.45Å; E727-A803 HydrophobicContact CG-CB 3.56Å; K799-A803 VanDerWaalsContact O-CB 3.31Å; K799-A803 WeakPolarHBondContact O-CB 3.37Å; K799-A803 PolarHBondContact O-N 3.32Å; H800-A803 WeakPolarHBondContact O-CB 3.31Å; H800-A803 PolarHBondContact O-N 3.23Å; F801-A803 VanDerWaalsContact C-N 3.34Å; F801-A803 PolarHBondContact O-N 2.98Å; A803-K805 VanDerWaalsContact C-N 3.34Å; A803-N806 WeakPolarHBondContact O-CB 3.48Å; A803-N806 PolarHBondContact O-N 3.31Å; A803-L807 WeakPolarHBondContact O-CG 3.4Å; A803-L807 PolarHBondContact O-N 3.17Å |
| 804 | L | 70.4 | Confident | 65.9 | Low | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.2 | -35.6 | 175 | -80.2 | 168.1 | 0 | 0 | 0 | 112.8 | A730 V739 L796 H800 F801 A802 L807 Q808 | A730-L804 HydrophobicContact CB-CD1 3.84Å; A730-L804 HydrophobicContact CB-CD2 3.71Å; A730-L804 HydrophobicContact CB-CG 3.55Å; V739-L804 HydrophobicContact CB-CD1 4.18Å; V739-L804 HydrophobicContact CG2-CD1 3.69Å; L796-L804 HydrophobicContact CD1-CD1 3.3Å; L796-L804 HydrophobicContact CD1-CG 4.48Å; H800-L804 PolarHBondContact O-N 3.26Å; F801-L804 PolarHBondContact O-N 3.22Å; A802-L804 PolarHBondContact O-N 3.03Å; L804-L807 HydrophobicContact CD2-CD1 4.36Å; L804-L807 PolarHBondContact O-N 3.49Å; L804-Q808 WeakPolarHBondContact O-CB 3.46Å; L804-Q808 WeakPolarHBondContact O-CG 3.29Å; L804-Q808 PolarHBondContact O-N 3.46Å |
| 805 | K | 66.2 | Low | 67.9 | Low | 113 Ų | 113 | 52.7 Ų | 52.7 | 49% | 0.491 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.5 | -37.3 | 176.1 | -156.7 | 165.8 | -173.3 | 169.5 | 0 | 110.8 | T742 F801 A802 A803 Q808 C809 | T742-K805 PolarHBondContact OG1-NZ 3.19Å; F801-K805 VanDerWaalsContact O-CB 3.31Å; F801-K805 WeakPolarHBondContact O-CB 3.16Å; F801-K805 PolarHBondContact O-N 3.35Å; A802-K805 CarbonylContact O-C 3.11Å; A802-K805 PolarHBondContact O-N 3.49Å; A803-K805 VanDerWaalsContact C-N 3.34Å; K805-Q808 PolarHBondContact O-N 2.93Å; K805-C809 WeakPolarHBondContact O-CB 3.28Å; K805-C809 PolarHBondContact O-N 3.03Å; K805-C809 PolarHBondContact O-SG 3.31Å |
| 806 | N | 74.2 | Confident | 69.6 | Low | 90 Ų | 90 | 52.6 Ų | 52.6 | 48% | 0.481 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.7 | -50.4 | 169.5 | -66.8 | -3.9 | 0 | 0 | 0 | 110.2 | A802 A803 Q808 C809 R810 | A802-N806 WeakPolarHBondContact O-CB 3.26Å; A802-N806 PolarHBondContact O-N 3.23Å; A802-N806 PolarHBondContact O-OD1 3.32Å; A802-N806 VanDerWaalsContact O-OD1 3.05Å; A803-N806 WeakPolarHBondContact O-CB 3.48Å; A803-N806 PolarHBondContact O-N 3.31Å; N806-Q808 VanDerWaalsContact C-N 3.32Å; N806-Q808 PolarHBondContact O-N 2.78Å; N806-C809 CarbonylContact O-C 3.58Å; N806-C809 WeakPolarHBondContact O-CA 3.44Å; N806-C809 WeakPolarHBondContact O-CB 3.36Å; N806-C809 PolarHBondContact O-N 3.28Å; N806-R810 WeakPolarHBondContact O-CG 3.25Å; N806-R810 PolarHBondContact O-N 3Å |
| 807 | L | 75.7 | Confident | 71.1 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 6% | 0.058 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.2 | -36.5 | 176 | -69.7 | 173.1 | 0 | 0 | 0 | 113 | L723 E727 L731 A803 L804 C809 R810 I813 | L723-L807 HydrophobicContact CD2-CD2 3.57Å; E727-L807 HydrophobicContact CB-CD1 3.79Å; E727-L807 HydrophobicContact CB-CD2 4.2Å; E727-L807 HydrophobicContact CB-CG 4.07Å; E727-L807 HydrophobicContact CG-CD1 3.99Å; E727-L807 HydrophobicContact CG-CD2 4.15Å; E727-L807 HydrophobicContact CG-CG 3.81Å; L731-L807 HydrophobicContact CD1-CD1 3.71Å; L731-L807 HydrophobicContact CD2-CD1 4.15Å; L731-L807 HydrophobicContact CG-CD1 3.79Å; A803-L807 WeakPolarHBondContact O-CG 3.4Å; A803-L807 PolarHBondContact O-N 3.17Å; L804-L807 HydrophobicContact CD2-CD1 4.36Å; L804-L807 PolarHBondContact O-N 3.49Å; L807-C809 VanDerWaalsContact C-N 3.28Å; L807-R810 WeakPolarHBondContact O-CB 3.3Å; L807-R810 PolarHBondContact O-N 2.8Å; L807-R810 VanDerWaalsContact O-N 3.16Å; L807-I813 HydrophobicContact CD2-CD1 3.82Å |
| 808 | Q | 66.6 | Low | 72.6 | Confident | 63 Ų | 63 | 59.5 Ų | 59.5 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70.7 | -25 | 173.6 | -78.8 | 174.1 | -34.4 | 0 | 0 | 112.7 | V739 H741 L804 K805 N806 R810 | V739-Q808 PolarHBondContact O-NE2 3.18Å; H741-Q808 PolarHBondContact CD2-NE2 3.42Å; H741-Q808 VanDerWaalsContact CD2-NE2 3.29Å; H741-Q808 PolarHBondContact CE1-NE2 3.38Å; H741-Q808 PolarHBondContact NE2-NE2 3.13Å; L804-Q808 WeakPolarHBondContact O-CB 3.46Å; L804-Q808 WeakPolarHBondContact O-CG 3.29Å; L804-Q808 PolarHBondContact O-N 3.46Å; K805-Q808 PolarHBondContact O-N 2.93Å; N806-Q808 VanDerWaalsContact C-N 3.32Å; N806-Q808 PolarHBondContact O-N 2.78Å; Q808-R810 VanDerWaalsContact C-N 3.35Å |
| 809 | C | 69.6 | Low | 73.7 | Confident | 105 Ų | 105 | 56.6 Ų | 56.6 | 71% | 0.709 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -5.1 | 169.6 | -67.6 | 0 | 0 | 0 | 0 | 113.4 | K805 N806 L807 S811 | K805-C809 WeakPolarHBondContact O-CB 3.28Å; K805-C809 PolarHBondContact O-N 3.03Å; K805-C809 PolarHBondContact O-SG 3.31Å; N806-C809 CarbonylContact O-C 3.58Å; N806-C809 WeakPolarHBondContact O-CA 3.44Å; N806-C809 WeakPolarHBondContact O-CB 3.36Å; N806-C809 PolarHBondContact O-N 3.28Å; L807-C809 VanDerWaalsContact C-N 3.28Å; C809-S811 PolarHBondContact O-N 3.28Å |
| 810 | R | 73.9 | Confident | 73.9 | Confident | 98 Ų | 98 | 56.2 Ų | 56.2 | 37% | 0.37 | 29% | 0.288 | S | S | . | . | trans | -86.2 | 107.4 | 175 | -72.8 | -158.9 | 85.7 | 108.3 | 4.5 | 110.9 | V721 N806 L807 Q808 D812 I813 | V721-R810 VanDerWaalsContact CG1-CZ 3.49Å; N806-R810 WeakPolarHBondContact O-CG 3.25Å; N806-R810 PolarHBondContact O-N 3Å; L807-R810 WeakPolarHBondContact O-CB 3.3Å; L807-R810 PolarHBondContact O-N 2.8Å; L807-R810 VanDerWaalsContact O-N 3.16Å; Q808-R810 VanDerWaalsContact C-N 3.35Å; R810-D812 VanDerWaalsContact C-N 3.35Å; R810-D812 VanDerWaalsContact CB-OD1 3.31Å; R810-D812 WeakPolarHBondContact CB-OD1 3.33Å; R810-D812 IonicContact CZ-OD1 3.31Å; R810-D812 IonicContact CZ-OD2 3.63Å; R810-D812 IonicContact NE-OD1 3.03Å; R810-D812 PolarHBondContact NE-OD1 3.41Å; R810-D812 IonicContact NE-OD2 3.32Å; R810-D812 PolarHBondContact NE-OD2 3.22Å; R810-D812 IonicContact NH2-OD1 3.65Å; R810-D812 PolarHBondContact NH2-OD1 2.82Å; R810-D812 IonicContact NH2-OD2 3.81Å; R810-D812 PolarHBondContact NH2-OD2 2.04Å; R810-I813 HydrophobicContact CB-CD1 4.22Å; R810-I813 HydrophobicContact CB-CG1 3.98Å | ||
| 811 | S | 73 | Confident | 73.8 | Confident | 102 Ų | 102 | 58.7 Ų | 58.7 | 71% | 0.713 | 32% | 0.317 | S | S | * | . | trans | -82.5 | -9.7 | 172.6 | 50.3 | 0 | 0 | 0 | 0 | 113.9 | C809 K829 | C809-S811 PolarHBondContact O-N 3.28Å; S811-K829 WeakPolarHBondContact O-CD 3.42Å | ||
| 812 | D | 82.6 | Confident | 74 | Confident | 60 Ų | 60 | 61.7 Ų | 61.7 | 32% | 0.321 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -88.8 | -6.3 | -172 | 65.6 | -48.9 | 0 | 0 | 0 | 114.9 | V721 R810 K829 | V721-D812 VanDerWaalsContact CG2-OD2 3.23Å; V721-D812 WeakPolarHBondContact CG2-OD2 3.23Å; R810-D812 VanDerWaalsContact C-N 3.35Å; R810-D812 VanDerWaalsContact CB-OD1 3.31Å; R810-D812 WeakPolarHBondContact CB-OD1 3.33Å; R810-D812 IonicContact CZ-OD1 3.31Å; R810-D812 IonicContact CZ-OD2 3.63Å; R810-D812 IonicContact NE-OD1 3.03Å; R810-D812 PolarHBondContact NE-OD1 3.41Å; R810-D812 IonicContact NE-OD2 3.32Å; R810-D812 PolarHBondContact NE-OD2 3.22Å; R810-D812 IonicContact NH2-OD1 3.65Å; R810-D812 PolarHBondContact NH2-OD1 2.82Å; R810-D812 IonicContact NH2-OD2 3.81Å; R810-D812 PolarHBondContact NH2-OD2 2.04Å; D812-K829 WeakPolarHBondContact O-CB 3.42Å; D812-K829 PolarHBondContact O-N 2.67Å |
| 813 | I | 84.5 | Confident | 74.2 | Confident | 14 Ų | 14 | 60.6 Ų | 60.6 | 7% | 0.072 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 151.3 | 180 | 55.8 | 172.7 | 0 | 0 | 0 | 112.2 | V721 L723 L807 R810 I815 V826 I827 | V721-I813 HydrophobicContact CB-CG2 4.16Å; V721-I813 HydrophobicContact CG2-CG2 3.43Å; V721-I813 VanDerWaalsContact CG2-CG2 3.43Å; L723-I813 HydrophobicContact CD2-CD1 4.47Å; L807-I813 HydrophobicContact CD2-CD1 3.82Å; R810-I813 HydrophobicContact CB-CD1 4.22Å; R810-I813 HydrophobicContact CB-CG1 3.98Å; I813-I815 HydrophobicContact CD1-CD1 4.29Å; I813-V826 HydrophobicContact CB-CG1 4.14Å; I813-V826 HydrophobicContact CD1-CG1 4Å; I813-V826 HydrophobicContact CG2-CG1 4.35Å; I813-I827 WeakPolarHBondContact CA-O 3.44Å |
| 814 | V | 79.5 | Confident | 74.7 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 15% | 0.152 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 140.8 | 172.3 | -175 | 0 | 0 | 0 | 0 | 109 | L816 I827 K829 Y832 | V814-L816 HydrophobicContact CG1-CD1 4.28Å; V814-L816 HydrophobicContact CG1-CD2 3.75Å; V814-L816 HydrophobicContact CG1-CG 3.89Å; V814-I827 HydrophobicContact CB-CG2 4.2Å; V814-I827 PolarHBondContact N-O 2.89Å; V814-I827 WeakPolarHBondContact O-CG2 3.16Å; V814-I827 PolarHBondContact O-N 2.87Å; V814-K829 HydrophobicContact CG2-CB 3.83Å; V814-K829 HydrophobicContact CG2-CD 4.07Å; V814-K829 HydrophobicContact CG2-CG 3.67Å; V814-Y832 HydrophobicContact CB-CD1 4.16Å; V814-Y832 HydrophobicContact CB-CG 4.48Å; V814-Y832 HydrophobicContact CG1-CD1 4.06Å; V814-Y832 HydrophobicContact CG1-CE1 4.14Å; V814-Y832 HydrophobicContact CG2-CD1 3.98Å |
| 815 | I | 84 | Confident | 75.3 | Confident | 49 Ų | 49 | 60.5 Ų | 60.5 | 25% | 0.251 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 110.3 | -169.9 | -50.8 | -171 | 0 | 0 | 0 | 108.8 | L731 F735 I813 V824 V825 V826 | L731-I815 HydrophobicContact CD2-CD1 3.85Å; L731-I815 HydrophobicContact CD2-CG2 4.08Å; F735-I815 HydrophobicContact CE1-CB 4.34Å; F735-I815 HydrophobicContact CE1-CG2 3.76Å; F735-I815 WeakPolarHBondContact CE1-O 3.3Å; F735-I815 HydrophobicContact CZ-CG2 3.81Å; F735-I815 WeakPolarHBondContact CZ-O 3.38Å; I813-I815 HydrophobicContact CD1-CD1 4.29Å; I815-V824 HydrophobicContact CG2-CG1 3.36Å; I815-V825 CarbonylContact C-O 3.45Å; I815-V825 WeakPolarHBondContact CA-O 3.18Å; I815-V826 HydrophobicContact CD1-CG2 4.47Å; I815-V826 HydrophobicContact CG1-CG1 4.39Å; I815-V826 HydrophobicContact CG1-CG2 4.29Å; I815-V826 HydrophobicContact CG2-CG2 4.22Å |
| 816 | L | 81.3 | Confident | 76.2 | Confident | 19 Ų | 19 | 55.1 Ų | 55.1 | 10% | 0.099 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 176.2 | -163.6 | -60.5 | 172.3 | 0 | 0 | 0 | 113 | F735 V814 V824 V825 I827 Y832 P898 | F735-L816 WeakPolarHBondContact CZ-O 3.19Å; V814-L816 HydrophobicContact CG1-CD1 4.28Å; V814-L816 HydrophobicContact CG1-CD2 3.75Å; V814-L816 HydrophobicContact CG1-CG 3.89Å; L816-V824 WeakPolarHBondContact O-CA 3.39Å; L816-V825 PolarHBondContact N-O 3.47Å; L816-V825 PolarHBondContact O-N 2.95Å; L816-I827 HydrophobicContact CD1-CG2 3.82Å; L816-Y832 HydrophobicContact CD1-CD2 3.47Å; L816-Y832 VanDerWaalsContact CD1-CD2 3.47Å; L816-Y832 HydrophobicContact CD1-CE2 3.42Å; L816-Y832 VanDerWaalsContact CD1-CE2 3.42Å; L816-Y832 HydrophobicContact CD1-CG 4.19Å; L816-Y832 HydrophobicContact CD2-CE2 4.44Å; L816-P898 HydrophobicContact CD1-CG 4.38Å |
| 817 | R | 81.9 | Confident | 76.8 | Confident | 149 Ų | 149 | 50.9 Ų | 50.9 | 56% | 0.562 | 29% | 0.291 | S | S | * | . | trans | -109.8 | 148.1 | 169.6 | -63.1 | 177.5 | -174.9 | 173.5 | 1.7 | 109.8 | F735 L897 P898 | F735-R817 HydrophobicContact CD2-CG 4.19Å; F735-R817 HydrophobicContact CE2-CG 3.62Å; F735-R817 HydrophobicContact CZ-CG 4.36Å; R817-L897 HydrophobicContact CB-CD2 4.34Å; R817-L897 WeakPolarHBondContact O-CD2 3.45Å; R817-P898 VanDerWaalsContact O-CD 3.3Å; R817-P898 WeakPolarHBondContact O-CD 2.87Å | ||
| 818 | P | 79.7 | Confident | 77.4 | Confident | 10 Ų | 10 | 51.9 Ų | 51.9 | 7% | 0.065 | 30% | 0.296 | C | S | . | . | trans | -76.9 | 156.6 | 175.8 | 32.2 | -35.5 | 0 | 0 | 0 | 112.9 | K820 G823 V825 P898 I900 | P818-K820 VanDerWaalsContact C-N 3.27Å; P818-K820 PolarHBondContact O-N 2.9Å; P818-G823 WeakPolarHBondContact CD-O 3.46Å; P818-V825 HydrophobicContact CB-CG2 4.26Å; P818-P898 WeakPolarHBondContact CA-O 3.49Å; P818-I900 HydrophobicContact CB-CD1 3.71Å; P818-I900 HydrophobicContact CB-CG1 3.92Å; P818-I900 HydrophobicContact CB-CG2 4.24Å; P818-I900 HydrophobicContact CG-CD1 4.17Å | ||
| 819 | D | 78.1 | Confident | 78.3 | Confident | 22 Ų | 22 | 52 Ų | 52 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -60.1 | -31.9 | 177.1 | 174.5 | 80 | 0 | 0 | 0 | 113.6 | L897 P898 K899 H901 R908 | D819-L897 HydrophobicContact CB-CB 4.09Å; D819-P898 PolarHBondContact N-O 3.5Å; D819-K899 HydrophobicContact CB-CB 4.42Å; D819-K899 HydrophobicContact CB-CG 3.76Å; D819-K899 IonicContact OD1-NZ 2.63Å; D819-K899 PolarHBondContact OD1-NZ 2.74Å; D819-K899 IonicContact OD2-NZ 2.67Å; D819-K899 PolarHBondContact OD2-NZ 2.71Å; D819-H901 IonicContact OD2-CE1 2.68Å; D819-H901 PolarHBondContact OD2-CE1 3.15Å; D819-R908 WeakPolarHBondContact OD1-CB 3.38Å; D819-R908 VanDerWaalsContact OD1-CD 3.3Å; D819-R908 WeakPolarHBondContact OD1-CD 3.5Å; D819-R908 IonicContact OD1-CZ 2.68Å; D819-R908 IonicContact OD1-NE 3.64Å; D819-R908 IonicContact OD1-NH1 3.18Å; D819-R908 PolarHBondContact OD1-NH1 3.44Å; D819-R908 IonicContact OD2-NH1 3.89Å |
| 820 | K | 66 | Low | 79.2 | Confident | 130 Ų | 130 | 51.2 Ų | 51.2 | 57% | 0.565 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -135.7 | 105 | 173.8 | -64 | -175.3 | -170.6 | 163.9 | 0 | 109.3 | P818 H901 | P818-K820 VanDerWaalsContact C-N 3.27Å; P818-K820 PolarHBondContact O-N 2.9Å; K820-H901 WeakPolarHBondContact CD-CE1 3.47Å; K820-H901 WeakPolarHBondContact CE-NE2 3.41Å; K820-H901 PolarHBondContact NZ-NE2 3.22Å |
| 821 | G | 65.3 | Low | 79.8 | Confident | 66 Ų | 66 | 49 Ų | 49 | 68% | 0.68 | 29% | 0.285 | S | S | * | . | S | Bend | trans | 145.3 | -168.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 822 | S | 63.2 | Low | 80.7 | Confident | 117 Ų | 117 | 44.6 Ų | 44.6 | 82% | 0.818 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -137.1 | 37.1 | 179.2 | 71.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 823 | G | 72.3 | Confident | 80.9 | Confident | 21 Ų | 21 | 45.5 Ų | 45.5 | 22% | 0.216 | 25% | 0.253 | C | S | . | . | trans | -97.2 | 177.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P818 | P818-G823 WeakPolarHBondContact CD-O 3.46Š| ||
| 824 | V | 80.2 | Confident | 81.1 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 133.9 | 167 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | Y714 V715 S716 F735 I815 L816 V826 | Y714-V824 PolarHBondContact O-N 3.23Å; V715-V824 CarbonylContact C-O 3.47Å; V715-V824 WeakPolarHBondContact CA-O 3.39Å; S716-V824 PolarHBondContact N-O 3.27Å; F735-V824 HydrophobicContact CD2-CG2 4.07Å; F735-V824 HydrophobicContact CE2-CB 4.36Å; F735-V824 HydrophobicContact CE2-CG1 4.15Å; F735-V824 HydrophobicContact CE2-CG2 3.83Å; F735-V824 HydrophobicContact CZ-CG1 4.09Å; I815-V824 HydrophobicContact CG2-CG1 3.36Å; L816-V824 WeakPolarHBondContact O-CA 3.39Å; V824-V826 HydrophobicContact CG1-CG2 4.34Å |
| 825 | V | 83 | Confident | 81.6 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 122.5 | 169.1 | -175 | 0 | 0 | 0 | 0 | 107.6 | S716 L718 I815 L816 P818 P898 I900 | S716-V825 WeakPolarHBondContact O-CA 3.4Å; L718-V825 HydrophobicContact CD1-CG1 3.62Å; L718-V825 HydrophobicContact CG-CG1 3.99Å; I815-V825 CarbonylContact C-O 3.45Å; I815-V825 WeakPolarHBondContact CA-O 3.18Å; L816-V825 PolarHBondContact N-O 3.47Å; L816-V825 PolarHBondContact O-N 2.95Å; P818-V825 HydrophobicContact CB-CG2 4.26Å; V825-P898 HydrophobicContact CB-CG 4.38Å; V825-P898 HydrophobicContact CG1-CG 4.17Å; V825-P898 HydrophobicContact CG2-CB 4.46Å; V825-P898 HydrophobicContact CG2-CG 4.35Å; V825-I900 HydrophobicContact CG2-CG2 4.41Å |
| 826 | V | 85.2 | Confident | 82 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 120.2 | 169.6 | -177.9 | 0 | 0 | 0 | 0 | 106.7 | V715 S716 N717 L718 S719 L723 L731 I813 I815 V824 | V715-V826 HydrophobicContact CG1-CG2 4Å; S716-V826 PolarHBondContact O-N 3.47Å; N717-V826 CarbonylContact C-O 3.48Å; N717-V826 WeakPolarHBondContact OD1-CB 3.32Å; N717-V826 WeakPolarHBondContact OD1-CG1 3.39Å; L718-V826 WeakPolarHBondContact CA-O 3.44Å; L718-V826 PolarHBondContact N-O 2.86Å; S719-V826 PolarHBondContact N-O 3.23Å; L723-V826 HydrophobicContact CD1-CG2 4.36Å; L731-V826 HydrophobicContact CD1-CG2 3.9Å; I813-V826 HydrophobicContact CB-CG1 4.14Å; I813-V826 HydrophobicContact CD1-CG1 4Å; I813-V826 HydrophobicContact CG2-CG1 4.35Å; I815-V826 HydrophobicContact CD1-CG2 4.47Å; I815-V826 HydrophobicContact CG1-CG1 4.39Å; I815-V826 HydrophobicContact CG1-CG2 4.29Å; I815-V826 HydrophobicContact CG2-CG2 4.22Å; V824-V826 HydrophobicContact CG1-CG2 4.34Å |
| 827 | I | 87.6 | Confident | 82.3 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 150.6 | -175.7 | -175.9 | 165.8 | 0 | 0 | 0 | 109.1 | L718 I813 V814 L816 K829 E831 Y832 | L718-I827 HydrophobicContact CB-CB 4.37Å; L718-I827 HydrophobicContact CB-CG1 4.39Å; L718-I827 HydrophobicContact CD1-CD1 4.38Å; I813-I827 WeakPolarHBondContact CA-O 3.44Å; V814-I827 HydrophobicContact CB-CG2 4.2Å; V814-I827 PolarHBondContact N-O 2.89Å; V814-I827 WeakPolarHBondContact O-CG2 3.16Å; V814-I827 PolarHBondContact O-N 2.87Å; L816-I827 HydrophobicContact CD1-CG2 3.82Å; I827-K829 PolarHBondContact O-N 2.76Å; I827-E831 HydrophobicContact CD1-CB 4.46Å; I827-E831 HydrophobicContact CD1-CG 4.3Å; I827-E831 HydrophobicContact CG1-CB 4.22Å; I827-E831 HydrophobicContact CG1-CG 4.45Å; I827-E831 WeakPolarHBondContact CG1-OE2 3.36Å; I827-Y832 HydrophobicContact CG2-CD2 4.45Å; I827-Y832 HydrophobicContact CG2-CG 4.29Å |
| 828 | N | 88.3 | Confident | 82.5 | Confident | 33 Ų | 33 | 48.7 Ų | 48.7 | 18% | 0.176 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 137.6 | 172.5 | -83.9 | -6.4 | 0 | 0 | 0 | 109.3 | S719 T720 C830 E831 Y832 | S719-N828 WeakPolarHBondContact CA-OD1 3.15Å; S719-N828 WeakPolarHBondContact CB-OD1 3.34Å; T720-N828 PolarHBondContact N-OD1 3.09Å; T720-N828 PolarHBondContact OG1-ND2 2.61Å; T720-N828 PolarHBondContact OG1-OD1 3.28Å; N828-C830 PolarHBondContact O-N 2.9Å; N828-E831 HydrophobicContact CB-CB 4.04Å; N828-E831 PolarHBondContact O-N 2.7Å; N828-Y832 WeakPolarHBondContact O-CB 3.49Å; N828-Y832 PolarHBondContact O-N 2.92Å |
| 829 | K | 85.7 | Confident | 82.8 | Confident | 65 Ų | 65 | 50.3 Ų | 50.3 | 28% | 0.283 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.9 | -37.4 | -179.3 | -176 | 163.6 | -174.5 | 173.7 | 0 | 111.9 | E474 S811 D812 V814 I827 K833 | E474-K829 WeakPolarHBondContact OE1-CE 3.21Å; E474-K829 IonicContact OE1-NZ 2.83Å; E474-K829 PolarHBondContact OE1-NZ 3.05Å; E474-K829 WeakPolarHBondContact OE2-CE 3.46Å; E474-K829 IonicContact OE2-NZ 2.66Å; E474-K829 PolarHBondContact OE2-NZ 2.91Å; S811-K829 WeakPolarHBondContact O-CD 3.42Å; D812-K829 WeakPolarHBondContact O-CB 3.42Å; D812-K829 PolarHBondContact O-N 2.67Å; V814-K829 HydrophobicContact CG2-CB 3.83Å; V814-K829 HydrophobicContact CG2-CD 4.07Å; V814-K829 HydrophobicContact CG2-CG 3.67Å; I827-K829 PolarHBondContact O-N 2.76Å; K829-K833 VanDerWaalsContact O-CB 3.3Å; K829-K833 WeakPolarHBondContact O-CB 3.4Å; K829-K833 PolarHBondContact O-N 2.79Å |
| 830 | C | 87.4 | Confident | 83.2 | Confident | 89 Ų | 89 | 49.6 Ų | 49.6 | 60% | 0.601 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60 | -63 | 172 | -48.9 | 0 | 0 | 0 | 0 | 110.8 | N828 Y832 K833 D834 | N828-C830 PolarHBondContact O-N 2.9Å; C830-Y832 CarbonylContact O-C 3.43Å; C830-Y832 PolarHBondContact O-N 2.82Å; C830-K833 CarbonylContact O-C 3.56Å; C830-K833 WeakPolarHBondContact O-CA 3.43Å; C830-K833 WeakPolarHBondContact O-CB 3.42Å; C830-K833 PolarHBondContact O-N 2.74Å; C830-D834 PolarHBondContact O-N 3.46Å; C830-D834 VanDerWaalsContact O-OD2 3.05Å |
| 831 | E | 87.4 | Confident | 84 | Confident | 52 Ų | 52 | 46 Ų | 46 | 24% | 0.243 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -52.3 | -38 | -178.1 | -168.2 | -150.4 | 149.9 | 0 | 0 | 113.3 | I827 N828 D834 K835 | I827-E831 HydrophobicContact CD1-CB 4.46Å; I827-E831 HydrophobicContact CD1-CG 4.3Å; I827-E831 HydrophobicContact CG1-CB 4.22Å; I827-E831 HydrophobicContact CG1-CG 4.45Å; I827-E831 WeakPolarHBondContact CG1-OE2 3.36Å; N828-E831 HydrophobicContact CB-CB 4.04Å; N828-E831 PolarHBondContact O-N 2.7Å; E831-D834 PolarHBondContact N-OD2 2.92Å; E831-K835 HydrophobicContact CG-CD 4.35Å; E831-K835 WeakPolarHBondContact O-CB 3.45Å; E831-K835 WeakPolarHBondContact O-CG 3.5Å; E831-K835 PolarHBondContact O-N 2.88Å; E831-K835 WeakPolarHBondContact OE1-CE 3.47Å; E831-K835 IonicContact OE1-NZ 2.83Å; E831-K835 PolarHBondContact OE1-NZ 3.45Å |
| 832 | Y | 91 | Very high | 84.8 | Confident | 8 Ų | 8 | 46.2 Ų | 46.2 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.5 | -45.9 | 173.5 | 172.9 | -109.5 | 0 | 0 | 0 | 112.8 | F473 V814 L816 I827 N828 C830 K835 M836 Y895 G896 L907 | F473-Y832 AromaticContact CE2-CE1 3.8Å; F473-Y832 HydrophobicContact CE2-CE1 3.8Å; F473-Y832 HydrophobicContact CZ-CE1 4.08Å; V814-Y832 HydrophobicContact CB-CD1 4.16Å; V814-Y832 HydrophobicContact CB-CG 4.48Å; V814-Y832 HydrophobicContact CG1-CD1 4.06Å; V814-Y832 HydrophobicContact CG1-CE1 4.14Å; V814-Y832 HydrophobicContact CG2-CD1 3.98Å; L816-Y832 HydrophobicContact CD1-CD2 3.47Å; L816-Y832 VanDerWaalsContact CD1-CD2 3.47Å; L816-Y832 HydrophobicContact CD1-CE2 3.42Å; L816-Y832 VanDerWaalsContact CD1-CE2 3.42Å; L816-Y832 HydrophobicContact CD1-CG 4.19Å; L816-Y832 HydrophobicContact CD2-CE2 4.44Å; I827-Y832 HydrophobicContact CG2-CD2 4.45Å; I827-Y832 HydrophobicContact CG2-CG 4.29Å; N828-Y832 WeakPolarHBondContact O-CB 3.49Å; N828-Y832 PolarHBondContact O-N 2.92Å; C830-Y832 CarbonylContact O-C 3.43Å; C830-Y832 PolarHBondContact O-N 2.82Å; Y832-K835 PolarHBondContact O-N 3.3Å; Y832-M836 HydrophobicContact CD2-CG 4.25Å; Y832-M836 HydrophobicContact CE1-CG 4.4Å; Y832-M836 HydrophobicContact CE2-CG 3.79Å; Y832-M836 HydrophobicContact CE2-SD 4.35Å; Y832-M836 WeakPolarHBondContact O-CB 3.44Å; Y832-M836 WeakPolarHBondContact O-CG 3.44Å; Y832-M836 PolarHBondContact O-N 2.77Å; Y832-Y895 VanDerWaalsContact OH-CA 3.32Å; Y832-Y895 WeakPolarHBondContact OH-CA 2.9Å; Y832-Y895 WeakPolarHBondContact OH-CB 3.09Å; Y832-G896 PolarHBondContact OH-N 3.36Å; Y832-L907 HydrophobicContact CD2-CD1 3.88Å; Y832-L907 HydrophobicContact CE2-CD1 3.99Å |
| 833 | K | 87.7 | Confident | 85.6 | Confident | 79 Ų | 79 | 48.1 Ų | 48.1 | 34% | 0.343 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 175.2 | -166.1 | 179.3 | -176.9 | -178.1 | 0 | 110.6 | F473 K829 C830 K835 M836 L837 | F473-K833 HydrophobicContact CE1-CG 4.04Å; F473-K833 HydrophobicContact CZ-CG 4.36Å; K829-K833 VanDerWaalsContact O-CB 3.3Å; K829-K833 WeakPolarHBondContact O-CB 3.4Å; K829-K833 PolarHBondContact O-N 2.79Å; C830-K833 CarbonylContact O-C 3.56Å; C830-K833 WeakPolarHBondContact O-CA 3.43Å; C830-K833 WeakPolarHBondContact O-CB 3.42Å; C830-K833 PolarHBondContact O-N 2.74Å; K833-K835 PolarHBondContact O-N 2.76Å; K833-M836 CarbonylContact O-C 3.54Å; K833-M836 PolarHBondContact O-N 3.42Å; K833-M836 VanDerWaalsContact O-N 3.16Å; K833-L837 HydrophobicContact CD-CD1 4.38Å; K833-L837 HydrophobicContact CG-CD1 3.92Å; K833-L837 HydrophobicContact CG-CG 4.19Å; K833-L837 WeakPolarHBondContact O-CB 3.41Å; K833-L837 VanDerWaalsContact O-CG 3.3Å; K833-L837 WeakPolarHBondContact O-CG 3.47Å; K833-L837 PolarHBondContact O-N 2.75Å |
| 834 | D | 88.8 | Confident | 86 | Confident | 93 Ų | 93 | 50.5 Ų | 50.5 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 179.3 | -52.5 | -30 | 0 | 0 | 0 | 111.2 | C830 E831 M836 L837 S838 | C830-D834 PolarHBondContact O-N 3.46Å; C830-D834 VanDerWaalsContact O-OD2 3.05Å; E831-D834 PolarHBondContact N-OD2 2.92Å; D834-M836 VanDerWaalsContact C-N 3.31Å; D834-M836 PolarHBondContact O-N 2.66Å; D834-L837 PolarHBondContact O-N 3.21Å; D834-S838 VanDerWaalsContact O-CB 3.31Å; D834-S838 WeakPolarHBondContact O-CB 3.5Å; D834-S838 PolarHBondContact O-N 2.74Å |
| 835 | K | 90 | Very high | 86.1 | Confident | 59 Ų | 59 | 51.2 Ų | 51.2 | 26% | 0.257 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67 | -27.4 | 175.8 | -76.9 | 176.7 | 173 | 177.6 | 0 | 113.8 | E831 Y832 K833 I839 N904 L907 | E831-K835 HydrophobicContact CG-CD 4.35Å; E831-K835 WeakPolarHBondContact O-CB 3.45Å; E831-K835 WeakPolarHBondContact O-CG 3.5Å; E831-K835 PolarHBondContact O-N 2.88Å; E831-K835 WeakPolarHBondContact OE1-CE 3.47Å; E831-K835 IonicContact OE1-NZ 2.83Å; E831-K835 PolarHBondContact OE1-NZ 3.45Å; Y832-K835 PolarHBondContact O-N 3.3Å; K833-K835 PolarHBondContact O-N 2.76Å; K835-I839 WeakPolarHBondContact O-CD1 3.48Å; K835-I839 WeakPolarHBondContact O-CG1 3.34Å; K835-N904 PolarHBondContact NZ-O 3.06Å; K835-L907 HydrophobicContact CB-CD1 3.61Å; K835-L907 HydrophobicContact CB-CG 4.03Å |
| 836 | M | 91 | Very high | 86.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -80.3 | -41.5 | 173.1 | -75.1 | -60.9 | -58.7 | 0 | 0 | 112.1 | F473 Y832 K833 D834 S838 I839 L840 L894 G896 L907 | F473-M836 HydrophobicContact CD1-CB 4.41Å; F473-M836 HydrophobicContact CD2-CE 4.43Å; F473-M836 HydrophobicContact CE1-CB 3.56Å; F473-M836 HydrophobicContact CE1-CG 4.36Å; F473-M836 HydrophobicContact CE2-CB 3.93Å; F473-M836 HydrophobicContact CE2-CE 4.34Å; F473-M836 HydrophobicContact CE2-CG 3.82Å; F473-M836 HydrophobicContact CZ-CB 3.29Å; F473-M836 HydrophobicContact CZ-CG 3.61Å; Y832-M836 HydrophobicContact CD2-CG 4.25Å; Y832-M836 HydrophobicContact CE1-CG 4.4Å; Y832-M836 HydrophobicContact CE2-CG 3.79Å; Y832-M836 HydrophobicContact CE2-SD 4.35Å; Y832-M836 WeakPolarHBondContact O-CB 3.44Å; Y832-M836 WeakPolarHBondContact O-CG 3.44Å; Y832-M836 PolarHBondContact O-N 2.77Å; K833-M836 CarbonylContact O-C 3.54Å; K833-M836 PolarHBondContact O-N 3.42Å; K833-M836 VanDerWaalsContact O-N 3.16Å; D834-M836 VanDerWaalsContact C-N 3.31Å; D834-M836 PolarHBondContact O-N 2.66Å; M836-S838 VanDerWaalsContact C-N 3.31Å; M836-S838 PolarHBondContact O-N 3.27Å; M836-I839 WeakPolarHBondContact O-CB 3.42Å; M836-I839 PolarHBondContact O-N 2.73Å; M836-L840 WeakPolarHBondContact O-CG 3.43Å; M836-L840 PolarHBondContact O-N 3.45Å; M836-L894 HydrophobicContact CE-CD2 3.51Å; M836-L894 HydrophobicContact CE-CG 3.75Å; M836-G896 WeakPolarHBondContact SD-CA 3.09Å; M836-G896 PolarHBondContact SD-N 3.3Å; M836-G896 VanDerWaalsContact SD-N 3.42Å; M836-L907 HydrophobicContact CG-CD1 3.71Å; M836-L907 HydrophobicContact SD-CB 4.42Å; M836-L907 HydrophobicContact SD-CD1 3.63Å |
| 837 | L | 88 | Confident | 86.4 | Confident | 71 Ų | 71 | 55 Ų | 55 | 37% | 0.372 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.3 | -35.4 | 174.5 | -71.6 | 176.3 | 0 | 0 | 0 | 111.5 | F478 K833 D834 I839 L840 G841 | F478-L837 HydrophobicContact CZ-CD2 4.36Å; K833-L837 HydrophobicContact CD-CD1 4.38Å; K833-L837 HydrophobicContact CG-CD1 3.92Å; K833-L837 HydrophobicContact CG-CG 4.19Å; K833-L837 WeakPolarHBondContact O-CB 3.41Å; K833-L837 VanDerWaalsContact O-CG 3.3Å; K833-L837 WeakPolarHBondContact O-CG 3.47Å; K833-L837 PolarHBondContact O-N 2.75Å; D834-L837 PolarHBondContact O-N 3.21Å; L837-I839 PolarHBondContact O-N 3.48Å; L837-L840 CarbonylContact O-C 2.57Å; L837-L840 PolarHBondContact O-N 3.24Å; L837-G841 PolarHBondContact O-N 2.82Å |
| 838 | S | 86 | Confident | 86.1 | Confident | 100 Ų | 100 | 60.9 Ų | 60.9 | 70% | 0.699 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.6 | -20.8 | 171.4 | 179.9 | 0 | 0 | 0 | 0 | 113.9 | D834 M836 | D834-S838 VanDerWaalsContact O-CB 3.31Å; D834-S838 WeakPolarHBondContact O-CB 3.5Å; D834-S838 PolarHBondContact O-N 2.74Å; M836-S838 VanDerWaalsContact C-N 3.31Å; M836-S838 PolarHBondContact O-N 3.27Å |
| 839 | I | 85.8 | Confident | 85.5 | Confident | 44 Ų | 44 | 59.9 Ų | 59.9 | 23% | 0.226 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -90.6 | -36.4 | 173.2 | -65.6 | 166.5 | 0 | 0 | 0 | 110.3 | K835 M836 L837 G841 F846 L907 P909 | K835-I839 WeakPolarHBondContact O-CD1 3.48Å; K835-I839 WeakPolarHBondContact O-CG1 3.34Å; M836-I839 WeakPolarHBondContact O-CB 3.42Å; M836-I839 PolarHBondContact O-N 2.73Å; L837-I839 PolarHBondContact O-N 3.48Å; I839-G841 VanDerWaalsContact C-N 3.33Å; I839-F846 HydrophobicContact CG2-CE2 4.34Å; I839-F846 WeakPolarHBondContact O-CD2 3.15Å; I839-L907 HydrophobicContact CD1-CB 4Å; I839-P909 HydrophobicContact CG2-CB 4.31Å; I839-P909 HydrophobicContact CG2-CG 4.15Å |
| 840 | L | 86.5 | Confident | 84.7 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -77.2 | -14.5 | 177.4 | -68.9 | 168.5 | 0 | 0 | 0 | 114.1 | F471 F473 F478 M836 L837 D842 F846 L894 | F471-L840 HydrophobicContact CE2-CD2 3.8Å; F471-L840 HydrophobicContact CZ-CD2 3.58Å; F473-L840 HydrophobicContact CB-CD1 4.31Å; F473-L840 HydrophobicContact CD1-CD1 3.75Å; F473-L840 HydrophobicContact CE1-CD1 4.45Å; F473-L840 HydrophobicContact CG-CD1 4.18Å; F478-L840 HydrophobicContact CD1-CB 4.43Å; F478-L840 HydrophobicContact CD1-CD1 4.36Å; F478-L840 HydrophobicContact CD1-CD2 4.19Å; F478-L840 HydrophobicContact CD2-CD1 4.25Å; F478-L840 HydrophobicContact CE1-CB 4.15Å; F478-L840 HydrophobicContact CE1-CD1 4.08Å; F478-L840 HydrophobicContact CE2-CD1 3.97Å; F478-L840 HydrophobicContact CG-CD1 4.46Å; F478-L840 HydrophobicContact CG-CD2 4.28Å; F478-L840 HydrophobicContact CZ-CD1 3.89Å; M836-L840 WeakPolarHBondContact O-CG 3.43Å; M836-L840 PolarHBondContact O-N 3.45Å; L837-L840 CarbonylContact O-C 2.57Å; L837-L840 PolarHBondContact O-N 3.24Å; L840-D842 VanDerWaalsContact C-N 3.26Å; L840-D842 PolarHBondContact O-N 2.84Å; L840-F846 HydrophobicContact CD2-CB 4.12Å; L840-F846 HydrophobicContact CD2-CD1 4.14Å; L840-F846 HydrophobicContact CD2-CD2 4.45Å; L840-F846 HydrophobicContact CD2-CG 3.99Å; L840-L894 HydrophobicContact CD1-CD2 4.32Å; L840-L894 HydrophobicContact CD2-CD2 3.72Å; L840-L894 HydrophobicContact CG-CD2 4.24Å |
| 841 | G | 83.5 | Confident | 83.4 | Confident | 53 Ų | 53 | 60.9 Ų | 60.9 | 55% | 0.546 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -7.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | L837 I839 Q843 | L837-G841 PolarHBondContact O-N 2.82Å; I839-G841 VanDerWaalsContact C-N 3.33Å; G841-Q843 VanDerWaalsContact C-N 3.34Å; G841-Q843 PolarHBondContact O-N 2.83Å |
| 842 | D | 82.3 | Confident | 82 | Confident | 71 Ų | 71 | 63 Ų | 63 | 38% | 0.38 | 36% | 0.361 | S | S | . | . | trans | -72.5 | 89.3 | 169 | -177.3 | -8.3 | 0 | 0 | 0 | 109.9 | L840 S844 K845 F846 | L840-D842 VanDerWaalsContact C-N 3.26Å; L840-D842 PolarHBondContact O-N 2.84Å; D842-S844 PolarHBondContact O-N 3.04Å; D842-S844 VanDerWaalsContact O-N 3.09Å; D842-S844 WeakPolarHBondContact OD1-CB 3.45Å; D842-S844 PolarHBondContact OD1-N 2.65Å; D842-S844 PolarHBondContact OD1-OG 2.86Å; D842-K845 PolarHBondContact O-N 3.41Å; D842-K845 VanDerWaalsContact OD2-CG 3.29Å; D842-K845 WeakPolarHBondContact OD2-CG 3.18Å; D842-F846 PolarHBondContact O-N 3.4Å | ||
| 843 | Q | 79.9 | Confident | 80.5 | Confident | 157 Ų | 157 | 66.9 Ų | 66.9 | 73% | 0.734 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -14.6 | -179.6 | -64.1 | -173.1 | 1.3 | 0 | 0 | 113.8 | G841 K845 F846 L847 | G841-Q843 VanDerWaalsContact C-N 3.34Å; G841-Q843 PolarHBondContact O-N 2.83Å; Q843-K845 VanDerWaalsContact C-N 3.33Å; Q843-F846 WeakPolarHBondContact CA-O 3.1Å; Q843-L847 HydrophobicContact CB-CD2 4.33Å; Q843-L847 WeakPolarHBondContact O-CD2 3.19Å |
| 844 | S | 79.6 | Confident | 79.3 | Confident | 71 Ų | 71 | 64.2 Ų | 64.2 | 50% | 0.497 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -24.2 | 173.1 | 79.4 | 0 | 0 | 0 | 0 | 112.6 | D842 | D842-S844 PolarHBondContact O-N 3.04Å; D842-S844 VanDerWaalsContact O-N 3.09Å; D842-S844 WeakPolarHBondContact OD1-CB 3.45Å; D842-S844 PolarHBondContact OD1-N 2.65Å; D842-S844 PolarHBondContact OD1-OG 2.86Å |
| 845 | K | 83.3 | Confident | 78.4 | Confident | 20 Ų | 20 | 63.9 Ų | 63.9 | 9% | 0.087 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -36.1 | -177 | -52.6 | -58.4 | 171.4 | 171.2 | 0 | 113 | T429 Q480 V481 D482 D842 Q843 | T429-K845 WeakPolarHBondContact O-CD 3.27Å; T429-K845 WeakPolarHBondContact O-CE 3.24Å; T429-K845 PolarHBondContact O-NZ 3.39Å; Q480-K845 CarbonylContact C-O 3.31Å; Q480-K845 WeakPolarHBondContact CA-O 3.2Å; V481-K845 PolarHBondContact N-O 3.46Å; D482-K845 HydrophobicContact CB-CD 4.16Å; D482-K845 IonicContact OD2-NZ 2.92Å; D482-K845 PolarHBondContact OD2-NZ 2.92Å; D842-K845 PolarHBondContact O-N 3.41Å; D842-K845 VanDerWaalsContact OD2-CG 3.29Å; D842-K845 WeakPolarHBondContact OD2-CG 3.18Å; Q843-K845 VanDerWaalsContact C-N 3.33Å |
| 846 | F | 87.7 | Confident | 77.8 | Confident | 13 Ų | 13 | 62.6 Ų | 62.6 | 6% | 0.057 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 132 | -174 | -54.5 | -74.3 | 0 | 0 | 0 | 112 | F471 R479 Q480 I839 L840 D842 Q843 | F471-F846 HydrophobicContact CE1-CD1 4.04Å; F471-F846 HydrophobicContact CE1-CE1 4.37Å; F471-F846 AromaticContact CZ-CD1 3.9Å; F471-F846 HydrophobicContact CZ-CD1 3.9Å; F471-F846 HydrophobicContact CZ-CE1 4.31Å; R479-F846 WeakPolarHBondContact O-CA 3.49Å; Q480-F846 HydrophobicContact CB-CD1 3.9Å; Q480-F846 HydrophobicContact CB-CE1 3.88Å; Q480-F846 HydrophobicContact CG-CD1 4.06Å; Q480-F846 HydrophobicContact CG-CE1 3.76Å; I839-F846 HydrophobicContact CG2-CE2 4.34Å; I839-F846 WeakPolarHBondContact O-CD2 3.15Å; L840-F846 HydrophobicContact CD2-CB 4.12Å; L840-F846 HydrophobicContact CD2-CD1 4.14Å; L840-F846 HydrophobicContact CD2-CD2 4.45Å; L840-F846 HydrophobicContact CD2-CG 3.99Å; D842-F846 PolarHBondContact O-N 3.4Å; Q843-F846 WeakPolarHBondContact CA-O 3.1Å |
| 847 | L | 85.8 | Confident | 77.2 | Confident | 67 Ų | 67 | 72 Ų | 72 | 35% | 0.351 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 141.2 | 172.3 | -59.9 | -178.9 | 0 | 0 | 0 | 110.1 | F478 R479 V481 Q843 | F478-L847 CarbonylContact C-O 3.59Å; F478-L847 WeakPolarHBondContact CA-O 3.47Å; R479-L847 PolarHBondContact N-O 3.21Å; R479-L847 PolarHBondContact O-N 3.13Å; V481-L847 HydrophobicContact CG1-CD1 3.78Å; V481-L847 HydrophobicContact CG1-CG 3.97Å; V481-L847 HydrophobicContact CG2-CG 4.36Å; Q843-L847 HydrophobicContact CB-CD2 4.33Å; Q843-L847 WeakPolarHBondContact O-CD2 3.19Å |
| 848 | Q | 82.5 | Confident | 76.8 | Confident | 126 Ų | 126 | 75.4 Ų | 75.4 | 59% | 0.589 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 145.2 | 167.4 | -164.2 | 172.8 | -5.7 | 0 | 0 | 109.5 | E476 Y477 F478 | E476-Q848 PolarHBondContact OE2-NE2 3.23Å; Y477-Q848 WeakPolarHBondContact O-CA 3.34Å; Y477-Q848 WeakPolarHBondContact O-CG 3.3Å; F478-Q848 HydrophobicContact CD1-CB 3.93Å; F478-Q848 HydrophobicContact CD1-CG 4.16Å; F478-Q848 HydrophobicContact CE1-CB 3.79Å; F478-Q848 HydrophobicContact CE1-CG 3.79Å; F478-Q848 HydrophobicContact CZ-CG 4.13Å |
| 849 | D | 76 | Confident | 76.7 | Confident | 11 Ų | 11 | 72.5 Ų | 72.5 | 6% | 0.059 | 39% | 0.39 | C | S | . | . | trans | -126.2 | 145.2 | -172.6 | -158.9 | 12.2 | 0 | 0 | 0 | 111.4 | Q470 Y477 R479 N853 I854 | Q470-D849 PolarHBondContact NE2-OD2 3.42Å; Y477-D849 PolarHBondContact O-N 2.81Å; R479-D849 IonicContact CZ-OD1 2.67Å; R479-D849 IonicContact CZ-OD2 2.91Å; R479-D849 VanDerWaalsContact NE-CG 3.29Å; R479-D849 IonicContact NE-OD1 2.9Å; R479-D849 IonicContact NE-OD2 3.93Å; R479-D849 PolarHBondContact NE-OD2 3.48Å; R479-D849 VanDerWaalsContact NH2-CG 3.27Å; R479-D849 IonicContact NH2-OD1 3.88Å; R479-D849 PolarHBondContact NH2-OD1 2.7Å; R479-D849 IonicContact NH2-OD2 3.57Å; R479-D849 PolarHBondContact NH2-OD2 2.98Å; D849-N853 WeakPolarHBondContact OD1-CB 3.41Å; D849-N853 PolarHBondContact OD1-ND2 3.3Å; D849-I854 HydrophobicContact CB-CD1 4.17Å | ||
| 850 | V | 69 | Low | 76.6 | Confident | 95 Ų | 95 | 71.8 Ų | 71.8 | 58% | 0.576 | 39% | 0.386 | S | S | * | . | trans | -82.9 | 138.2 | 179.2 | -167 | 0 | 0 | 0 | 0 | 109.3 | S852 N853 I854 | V850-S852 PolarHBondContact O-N 3.38Å; V850-N853 WeakPolarHBondContact O-CB 3.33Å; V850-N853 PolarHBondContact O-N 2.76Å; V850-I854 WeakPolarHBondContact O-CG1 3.49Å | ||
| 851 | S | 59.7 | Low | 76.4 | Confident | 80 Ų | 80 | 74.9 Ų | 74.9 | 56% | 0.559 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -53.4 | -28.1 | -174.8 | 56.4 | 0 | 0 | 0 | 0 | 115 | N853 I854 | S851-N853 VanDerWaalsContact C-N 3.29Å; S851-N853 PolarHBondContact O-N 3.42Å; S851-I854 PolarHBondContact O-N 2.89Å |
| 852 | S | 57.7 | Low | 76.5 | Confident | 96 Ų | 96 | 79 Ų | 79 | 67% | 0.671 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -63.2 | -27.2 | 175.2 | 49.5 | 0 | 0 | 0 | 0 | 114.4 | V850 I854 | V850-S852 PolarHBondContact O-N 3.38Å; S852-I854 PolarHBondContact O-N 2.86Å |
| 853 | N | 58.8 | Low | 76.8 | Confident | 90 Ų | 90 | 75.6 Ų | 75.6 | 48% | 0.481 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -77.7 | -3.8 | 180 | -68.7 | -28.4 | 0 | 0 | 0 | 113.6 | Q470 D849 V850 S851 N855 | Q470-N853 PolarHBondContact NE2-O 2.75Å; D849-N853 WeakPolarHBondContact OD1-CB 3.41Å; D849-N853 PolarHBondContact OD1-ND2 3.3Å; V850-N853 WeakPolarHBondContact O-CB 3.33Å; V850-N853 PolarHBondContact O-N 2.76Å; S851-N853 VanDerWaalsContact C-N 3.29Å; S851-N853 PolarHBondContact O-N 3.42Å; N853-N855 PolarHBondContact O-N 3.25Å |
| 854 | I | 63.8 | Low | 77.2 | Confident | 24 Ų | 24 | 72.9 Ų | 72.9 | 12% | 0.123 | 38% | 0.375 | C | S | . | . | trans | -113 | 71.7 | -153.5 | -49.5 | -172.6 | 0 | 0 | 0 | 110.7 | Y477 D849 V850 S851 S852 V856 L891 | Y477-I854 HydrophobicContact CD1-CD1 3.34Å; Y477-I854 HydrophobicContact CD1-CG2 4.14Å; Y477-I854 HydrophobicContact CD2-CD1 3.87Å; Y477-I854 HydrophobicContact CE1-CD1 4.11Å; Y477-I854 HydrophobicContact CE1-CG2 4.3Å; Y477-I854 HydrophobicContact CG-CD1 3.2Å; D849-I854 HydrophobicContact CB-CD1 4.17Å; V850-I854 WeakPolarHBondContact O-CG1 3.49Å; S851-I854 PolarHBondContact O-N 2.89Å; S852-I854 PolarHBondContact O-N 2.86Å; I854-V856 PolarHBondContact O-N 3.13Å; I854-L891 HydrophobicContact CG2-CD1 3.51Å; I854-L891 HydrophobicContact CG2-CD2 4.17Å; I854-L891 HydrophobicContact CG2-CG 4.41Å | ||
| 855 | N | 69 | Low | 77.5 | Confident | 85 Ų | 85 | 72.1 Ų | 72.1 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | trans | -95 | 85.7 | -177.6 | -166.8 | -30.4 | 0 | 0 | 0 | 110.9 | N853 R857 K858 L859 | N853-N855 PolarHBondContact O-N 3.25Å; N855-R857 PolarHBondContact O-N 3.49Å; N855-R857 WeakPolarHBondContact OD1-CB 3.19Å; N855-R857 PolarHBondContact OD1-N 2.82Å; N855-K858 HydrophobicContact CB-CB 3.76Å; N855-K858 WeakPolarHBondContact O-CA 3.48Å; N855-K858 VanDerWaalsContact O-CB 3.31Å; N855-K858 WeakPolarHBondContact O-CB 3.47Å; N855-K858 PolarHBondContact O-N 3.48Å; N855-K858 PolarHBondContact OD1-N 3.28Å; N855-L859 PolarHBondContact O-N 2.96Å; N855-L859 VanDerWaalsContact O-N 3.15Å | ||
| 856 | V | 77.9 | Confident | 77.8 | Confident | 32 Ų | 32 | 71.9 Ų | 71.9 | 19% | 0.194 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -56.3 | -39.4 | 177.4 | -173.8 | 0 | 0 | 0 | 0 | 111.1 | I854 K858 L859 E860 L891 P917 | I854-V856 PolarHBondContact O-N 3.13Å; V856-K858 VanDerWaalsContact C-N 3.29Å; V856-K858 PolarHBondContact O-N 2.71Å; V856-L859 CarbonylContact O-C 3.12Å; V856-L859 WeakPolarHBondContact O-CA 3.28Å; V856-L859 PolarHBondContact O-N 3.32Å; V856-E860 HydrophobicContact CG1-CG 4.4Å; V856-E860 WeakPolarHBondContact O-CG 3.48Å; V856-E860 PolarHBondContact O-N 3.19Å; V856-L891 HydrophobicContact CG2-CD1 4.16Å; V856-L891 HydrophobicContact CG2-CD2 3.99Å; V856-L891 HydrophobicContact CG2-CG 3.75Å; V856-P917 HydrophobicContact CG1-CG 3.99Å |
| 857 | R | 77.5 | Confident | 77.9 | Confident | 198 Ų | 198 | 71.2 Ų | 71.2 | 75% | 0.747 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.3 | -34 | 175.4 | -62.1 | -177.6 | -177.4 | 178.6 | 1.2 | 112.5 | N855 S861 | N855-R857 PolarHBondContact O-N 3.49Å; N855-R857 WeakPolarHBondContact OD1-CB 3.19Å; N855-R857 PolarHBondContact OD1-N 2.82Å; R857-S861 VanDerWaalsContact O-CB 3.22Å; R857-S861 WeakPolarHBondContact O-CB 3.2Å; R857-S861 PolarHBondContact O-N 3.45Å; R857-S861 PolarHBondContact O-OG 3.13Å |
| 858 | K | 80.5 | Confident | 78 | Confident | 142 Ų | 142 | 71.5 Ų | 71.5 | 62% | 0.617 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -68.6 | -37 | 173.2 | -171.7 | 177.1 | -177.8 | 177.3 | 0 | 111.2 | N855 V856 S861 R862 | N855-K858 HydrophobicContact CB-CB 3.76Å; N855-K858 WeakPolarHBondContact O-CA 3.48Å; N855-K858 VanDerWaalsContact O-CB 3.31Å; N855-K858 WeakPolarHBondContact O-CB 3.47Å; N855-K858 PolarHBondContact O-N 3.48Å; N855-K858 PolarHBondContact OD1-N 3.28Å; V856-K858 VanDerWaalsContact C-N 3.29Å; V856-K858 PolarHBondContact O-N 2.71Å; K858-S861 PolarHBondContact O-N 2.85Å; K858-R862 WeakPolarHBondContact O-CG 3.2Å; K858-R862 PolarHBondContact O-N 2.57Å |
| 859 | L | 83.1 | Confident | 78.3 | Confident | 39 Ų | 39 | 70 Ų | 70 | 20% | 0.204 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71.3 | -44 | 173.8 | -174.2 | 59.3 | 0 | 0 | 0 | 112 | L464 N855 V856 S861 R862 V863 P917 T918 | L464-L859 HydrophobicContact CD1-CD1 3.91Å; N855-L859 PolarHBondContact O-N 2.96Å; N855-L859 VanDerWaalsContact O-N 3.15Å; V856-L859 CarbonylContact O-C 3.12Å; V856-L859 WeakPolarHBondContact O-CA 3.28Å; V856-L859 PolarHBondContact O-N 3.32Å; L859-S861 VanDerWaalsContact C-N 3.27Å; L859-S861 PolarHBondContact O-N 3.33Å; L859-R862 PolarHBondContact O-N 2.86Å; L859-R862 VanDerWaalsContact O-N 3.17Å; L859-V863 WeakPolarHBondContact O-CG2 3.27Å; L859-V863 PolarHBondContact O-N 2.61Å; L859-P917 HydrophobicContact CB-CG 4.3Å; L859-P917 HydrophobicContact CD2-CB 4.23Å; L859-P917 HydrophobicContact CD2-CG 3.96Å; L859-P917 HydrophobicContact CG-CB 3.95Å; L859-P917 HydrophobicContact CG-CG 4.01Å; L859-T918 HydrophobicContact CD1-CG2 4.43Å |
| 860 | E | 83.6 | Confident | 78.9 | Confident | 30 Ų | 30 | 69.5 Ų | 69.5 | 14% | 0.14 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -55.9 | -42.8 | 169.6 | -69.1 | -170.7 | 126.3 | 0 | 0 | 111.3 | V856 V863 K864 P886 S887 G888 S889 P917 | V856-E860 HydrophobicContact CG1-CG 4.4Å; V856-E860 WeakPolarHBondContact O-CG 3.48Å; V856-E860 PolarHBondContact O-N 3.19Å; E860-V863 PolarHBondContact O-N 2.65Å; E860-K864 WeakPolarHBondContact O-CB 3.29Å; E860-K864 PolarHBondContact O-N 3.26Å; E860-P886 HydrophobicContact CB-CB 4.46Å; E860-P886 HydrophobicContact CB-CG 4.01Å; E860-P886 HydrophobicContact CG-CB 4Å; E860-P886 HydrophobicContact CG-CG 4.08Å; E860-S887 PolarHBondContact OE1-N 3.2Å; E860-G888 PolarHBondContact OE1-N 3.05Å; E860-G888 VanDerWaalsContact OE1-N 3.11Å; E860-S889 WeakPolarHBondContact OE1-CB 3.15Å; E860-S889 PolarHBondContact OE1-N 3.22Å; E860-S889 PolarHBondContact OE1-OG 2.89Å; E860-P917 HydrophobicContact CG-CB 4.05Å; E860-P917 HydrophobicContact CG-CG 3.82Å |
| 861 | S | 83.7 | Confident | 79.6 | Confident | 72 Ų | 72 | 66.9 Ų | 66.9 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.5 | -36.9 | 177.1 | -61.2 | 0 | 0 | 0 | 0 | 112.6 | R857 K858 L859 S865 | R857-S861 VanDerWaalsContact O-CB 3.22Å; R857-S861 WeakPolarHBondContact O-CB 3.2Å; R857-S861 PolarHBondContact O-N 3.45Å; R857-S861 PolarHBondContact O-OG 3.13Å; K858-S861 PolarHBondContact O-N 2.85Å; L859-S861 VanDerWaalsContact C-N 3.27Å; L859-S861 PolarHBondContact O-N 3.33Å; S861-S865 VanDerWaalsContact O-CB 3.22Å; S861-S865 WeakPolarHBondContact O-CB 3.39Å; S861-S865 PolarHBondContact O-N 3.4Å; S861-S865 PolarHBondContact O-OG 3.15Å; S861-S865 VanDerWaalsContact O-OG 3.11Å |
| 862 | R | 86.1 | Confident | 80.7 | Confident | 139 Ų | 139 | 71.9 Ų | 71.9 | 53% | 0.525 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.7 | -39 | 172.7 | -77.1 | 179.8 | 72.8 | -178.8 | 3.7 | 112.5 | L464 K858 L859 S865 N866 | L464-R862 HydrophobicContact CD1-CB 4.32Å; K858-R862 WeakPolarHBondContact O-CG 3.2Å; K858-R862 PolarHBondContact O-N 2.57Å; L859-R862 PolarHBondContact O-N 2.86Å; L859-R862 VanDerWaalsContact O-N 3.17Å; R862-S865 PolarHBondContact O-OG 3.01Å; R862-N866 WeakPolarHBondContact O-CB 3.47Å; R862-N866 PolarHBondContact O-N 3.43Å; R862-N866 PolarHBondContact O-ND2 3.37Å |
| 863 | V | 88.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.8 | -52 | 174.6 | 172.3 | 0 | 0 | 0 | 0 | 109.5 | L464 L859 E860 S865 N866 L867 P886 P917 T918 L921 | L464-V863 HydrophobicContact CD2-CG2 4.24Å; L859-V863 WeakPolarHBondContact O-CG2 3.27Å; L859-V863 PolarHBondContact O-N 2.61Å; E860-V863 PolarHBondContact O-N 2.65Å; V863-S865 VanDerWaalsContact C-N 3.32Å; V863-S865 PolarHBondContact O-N 3.21Å; V863-N866 PolarHBondContact O-N 2.92Å; V863-L867 HydrophobicContact CG1-CD1 3.72Å; V863-L867 HydrophobicContact CG1-CG 4.19Å; V863-L867 WeakPolarHBondContact O-CB 3.31Å; V863-L867 VanDerWaalsContact O-CG 3.3Å; V863-L867 WeakPolarHBondContact O-CG 3.41Å; V863-L867 PolarHBondContact O-N 3.42Å; V863-P886 HydrophobicContact CB-CG 4.03Å; V863-P886 HydrophobicContact CG1-CG 3.91Å; V863-P917 HydrophobicContact CG2-CB 4.2Å; V863-T918 HydrophobicContact CG2-CG2 3.93Å; V863-L921 HydrophobicContact CG1-CD2 4.23Å |
| 864 | K | 86.9 | Confident | 83 | Confident | 100 Ų | 100 | 74.3 Ų | 74.3 | 44% | 0.435 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.2 | -40.1 | 177.6 | -172 | -177.3 | 176.5 | -174.4 | 0 | 112.6 | E860 L867 L868 F881 | E860-K864 WeakPolarHBondContact O-CB 3.29Å; E860-K864 PolarHBondContact O-N 3.26Å; K864-L867 PolarHBondContact O-N 2.87Å; K864-L868 HydrophobicContact CG-CD1 4.48Å; K864-L868 WeakPolarHBondContact O-CB 3.34Å; K864-L868 VanDerWaalsContact O-CG 3.29Å; K864-L868 WeakPolarHBondContact O-CG 3.38Å; K864-L868 PolarHBondContact O-N 3.2Å; K864-F881 HydrophobicContact CG-CZ 4.16Å |
| 865 | S | 87.5 | Confident | 83.8 | Confident | 55 Ų | 55 | 74.5 Ų | 74.5 | 39% | 0.385 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.3 | -37.5 | 178.4 | 69.7 | 0 | 0 | 0 | 0 | 112.8 | S861 R862 V863 L868 K869 | S861-S865 VanDerWaalsContact O-CB 3.22Å; S861-S865 WeakPolarHBondContact O-CB 3.39Å; S861-S865 PolarHBondContact O-N 3.4Å; S861-S865 PolarHBondContact O-OG 3.15Å; S861-S865 VanDerWaalsContact O-OG 3.11Å; R862-S865 PolarHBondContact O-OG 3.01Å; V863-S865 VanDerWaalsContact C-N 3.32Å; V863-S865 PolarHBondContact O-N 3.21Å; S865-L868 PolarHBondContact O-N 2.86Å; S865-K869 PolarHBondContact O-N 3.19Å |
| 866 | N | 89.8 | Confident | 84.6 | Confident | 15 Ų | 15 | 70.7 Ų | 70.7 | 8% | 0.08 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -74.7 | -31 | 174.3 | -69.3 | -49.3 | 0 | 0 | 0 | 112.6 | F457 L461 R862 V863 K869 L870 | F457-N866 HydrophobicContact CE2-CB 4.17Å; F457-N866 WeakPolarHBondContact CE2-OD1 3.26Å; F457-N866 HydrophobicContact CZ-CB 4.14Å; L461-N866 HydrophobicContact CD2-CB 3.95Å; R862-N866 WeakPolarHBondContact O-CB 3.47Å; R862-N866 PolarHBondContact O-N 3.43Å; R862-N866 PolarHBondContact O-ND2 3.37Å; V863-N866 PolarHBondContact O-N 2.92Å; N866-K869 WeakPolarHBondContact O-CB 3.35Å; N866-K869 PolarHBondContact O-N 3.24Å; N866-K869 WeakPolarHBondContact OD1-CD 3.46Å; N866-K869 WeakPolarHBondContact OD1-CE 3.36Å; N866-K869 PolarHBondContact OD1-NZ 3.2Å; N866-L870 WeakPolarHBondContact O-CG 3.5Å; N866-L870 PolarHBondContact O-N 3.11Å |
| 867 | L | 88.7 | Confident | 85 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 166.7 | -69.4 | 171.6 | 0 | 0 | 0 | 111.5 | V863 K864 K869 L870 L871 I876 F881 L884 L921 | V863-L867 HydrophobicContact CG1-CD1 3.72Å; V863-L867 HydrophobicContact CG1-CG 4.19Å; V863-L867 WeakPolarHBondContact O-CB 3.31Å; V863-L867 VanDerWaalsContact O-CG 3.3Å; V863-L867 WeakPolarHBondContact O-CG 3.41Å; V863-L867 PolarHBondContact O-N 3.42Å; K864-L867 PolarHBondContact O-N 2.87Å; L867-K869 VanDerWaalsContact C-N 3.33Å; L867-K869 PolarHBondContact O-N 3.32Å; L867-L870 HydrophobicContact CD2-CD1 4.3Å; L867-L870 PolarHBondContact O-N 3.12Å; L867-L871 WeakPolarHBondContact O-CB 3.37Å; L867-L871 PolarHBondContact O-N 3Å; L867-I876 HydrophobicContact CB-CD1 4.21Å; L867-I876 HydrophobicContact CD2-CD1 3.76Å; L867-F881 HydrophobicContact CB-CD2 3.71Å; L867-F881 HydrophobicContact CB-CE2 3.63Å; L867-L884 VanDerWaalsContact CD1-C 3.47Å; L867-L884 HydrophobicContact CD1-CB 3.78Å; L867-L884 WeakPolarHBondContact CD1-O 2.87Å; L867-L884 HydrophobicContact CD2-CB 3.63Å; L867-L884 HydrophobicContact CD2-CD1 3.79Å; L867-L884 HydrophobicContact CD2-CG 4.35Å; L867-L884 HydrophobicContact CG-CB 4.39Å; L867-L921 HydrophobicContact CD2-CD1 4.17Å |
| 868 | L | 87.8 | Confident | 85 | Confident | 72 Ų | 72 | 68.6 Ų | 68.6 | 38% | 0.377 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.9 | -31.6 | 172.8 | -76.1 | 171.4 | 0 | 0 | 0 | 112.4 | K864 S865 L871 K872 F881 | K864-L868 HydrophobicContact CG-CD1 4.48Å; K864-L868 WeakPolarHBondContact O-CB 3.34Å; K864-L868 VanDerWaalsContact O-CG 3.29Å; K864-L868 WeakPolarHBondContact O-CG 3.38Å; K864-L868 PolarHBondContact O-N 3.2Å; S865-L868 PolarHBondContact O-N 2.86Å; L868-L871 HydrophobicContact CD2-CD2 4.32Å; L868-K872 WeakPolarHBondContact O-CB 3.15Å; L868-K872 WeakPolarHBondContact O-CG 3.47Å; L868-K872 PolarHBondContact O-N 3.27Å; L868-F881 HydrophobicContact CB-CE2 4.47Å; L868-F881 HydrophobicContact CD2-CD2 4.49Å; L868-F881 HydrophobicContact CD2-CE2 3.65Å; L868-F881 HydrophobicContact CD2-CZ 3.66Å; L868-F881 HydrophobicContact CG-CE2 3.69Å; L868-F881 HydrophobicContact CG-CZ 3.88Å |
| 869 | K | 88.4 | Confident | 84.9 | Confident | 96 Ų | 96 | 68.5 Ų | 68.5 | 42% | 0.417 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.6 | -50.3 | 168.2 | -68.2 | 175 | -173.7 | 168.9 | 0 | 110.9 | F457 S865 N866 L867 L871 K872 M873 | F457-K869 HydrophobicContact CE1-CB 4.07Å; F457-K869 HydrophobicContact CE1-CD 4.49Å; F457-K869 HydrophobicContact CE2-CD 3.77Å; F457-K869 HydrophobicContact CZ-CB 3.74Å; F457-K869 HydrophobicContact CZ-CD 3.7Å; F457-K869 HydrophobicContact CZ-CG 4.41Å; S865-K869 PolarHBondContact O-N 3.19Å; N866-K869 WeakPolarHBondContact O-CB 3.35Å; N866-K869 PolarHBondContact O-N 3.24Å; N866-K869 WeakPolarHBondContact OD1-CD 3.46Å; N866-K869 WeakPolarHBondContact OD1-CE 3.36Å; N866-K869 PolarHBondContact OD1-NZ 3.2Å; L867-K869 VanDerWaalsContact C-N 3.33Å; L867-K869 PolarHBondContact O-N 3.32Å; K869-L871 VanDerWaalsContact C-N 3.27Å; K869-L871 PolarHBondContact O-N 3.03Å; K869-K872 CarbonylContact O-C 3.51Å; K869-K872 PolarHBondContact O-N 2.84Å; K869-K872 VanDerWaalsContact O-N 3.1Å; K869-M873 WeakPolarHBondContact O-CB 3.13Å; K869-M873 VanDerWaalsContact O-CG 3.22Å; K869-M873 WeakPolarHBondContact O-CG 3.48Å; K869-M873 PolarHBondContact O-N 2.72Å |
| 870 | L | 88.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.1 | -38.7 | 177.9 | -71.6 | 166.8 | 0 | 0 | 0 | 112.1 | I453 F457 L461 N866 L867 M873 N874 V875 I876 W924 | I453-L870 HydrophobicContact CD1-CD2 4.12Å; I453-L870 HydrophobicContact CG1-CD2 4.06Å; F457-L870 HydrophobicContact CD1-CD2 4.44Å; F457-L870 HydrophobicContact CE1-CD2 3.72Å; F457-L870 HydrophobicContact CE1-CG 3.87Å; F457-L870 HydrophobicContact CZ-CD2 4.47Å; F457-L870 HydrophobicContact CZ-CG 4.2Å; L461-L870 HydrophobicContact CD1-CD1 4Å; L461-L870 HydrophobicContact CD1-CD2 4.07Å; L461-L870 HydrophobicContact CD1-CG 4.36Å; L461-L870 HydrophobicContact CD2-CD1 4.28Å; N866-L870 WeakPolarHBondContact O-CG 3.5Å; N866-L870 PolarHBondContact O-N 3.11Å; L867-L870 HydrophobicContact CD2-CD1 4.3Å; L867-L870 PolarHBondContact O-N 3.12Å; L870-M873 CarbonylContact O-C 3.44Å; L870-M873 PolarHBondContact O-N 3.14Å; L870-N874 PolarHBondContact O-N 3.46Å; L870-V875 HydrophobicContact CB-CB 4.35Å; L870-V875 HydrophobicContact CD2-CB 3.86Å; L870-V875 HydrophobicContact CD2-CG1 3.85Å; L870-V875 HydrophobicContact CD2-CG2 4.21Å; L870-V875 PolarHBondContact O-N 2.76Å; L870-I876 HydrophobicContact CB-CD1 3.9Å; L870-I876 HydrophobicContact CB-CG1 3.86Å; L870-W924 HydrophobicContact CD1-CH2 3.91Å; L870-W924 HydrophobicContact CD1-CZ3 3.86Å; L870-W924 HydrophobicContact CD2-CH2 4.19Å |
| 871 | L | 83.4 | Confident | 84.8 | Confident | 39 Ų | 39 | 68.9 Ų | 68.9 | 20% | 0.204 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.6 | -48.7 | 172.8 | -171.1 | 89.8 | 0 | 0 | 0 | 111.4 | L867 L868 K869 M873 N874 I876 N878 F881 | L867-L871 WeakPolarHBondContact O-CB 3.37Å; L867-L871 PolarHBondContact O-N 3Å; L868-L871 HydrophobicContact CD2-CD2 4.32Å; K869-L871 VanDerWaalsContact C-N 3.27Å; K869-L871 PolarHBondContact O-N 3.03Å; L871-M873 PolarHBondContact O-N 2.98Å; L871-N874 PolarHBondContact O-N 3Å; L871-N874 PolarHBondContact O-OD1 2.93Å; L871-I876 HydrophobicContact CB-CG1 4.27Å; L871-N878 WeakPolarHBondContact CD1-OD1 3.14Å; L871-F881 HydrophobicContact CB-CD2 4.47Å; L871-F881 HydrophobicContact CD1-CB 3.92Å; L871-F881 HydrophobicContact CD1-CG 4.39Å |
| 872 | K | 83.4 | Confident | 84.6 | Confident | 186 Ų | 186 | 69.6 Ų | 69.6 | 81% | 0.809 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.1 | -24.7 | 175.8 | -78.2 | -176.1 | 173.9 | -166 | 0 | 113.7 | L868 K869 N874 | L868-K872 WeakPolarHBondContact O-CB 3.15Å; L868-K872 WeakPolarHBondContact O-CG 3.47Å; L868-K872 PolarHBondContact O-N 3.27Å; K869-K872 CarbonylContact O-C 3.51Å; K869-K872 PolarHBondContact O-N 2.84Å; K869-K872 VanDerWaalsContact O-N 3.1Å; K872-N874 VanDerWaalsContact C-N 3.33Å |
| 873 | M | 83.2 | Confident | 84.4 | Confident | 85 Ų | 85 | 68.5 Ų | 68.5 | 42% | 0.419 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 5.4 | 175.7 | -63.7 | 168.2 | 76.2 | 0 | 0 | 112.5 | P454 F457 K869 L870 L871 V875 | P454-M873 VanDerWaalsContact CD-CE 3.5Å; P454-M873 HydrophobicContact CG-CE 3.76Å; F457-M873 HydrophobicContact CD1-CE 4.32Å; F457-M873 HydrophobicContact CD1-SD 4.02Å; F457-M873 HydrophobicContact CE1-SD 3.93Å; K869-M873 WeakPolarHBondContact O-CB 3.13Å; K869-M873 VanDerWaalsContact O-CG 3.22Å; K869-M873 WeakPolarHBondContact O-CG 3.48Å; K869-M873 PolarHBondContact O-N 2.72Å; L870-M873 CarbonylContact O-C 3.44Å; L870-M873 PolarHBondContact O-N 3.14Å; L871-M873 PolarHBondContact O-N 2.98Å; M873-V875 HydrophobicContact CB-CG2 3.81Å; M873-V875 PolarHBondContact O-N 2.78Å; M873-V875 VanDerWaalsContact O-N 3.14Å |
| 874 | N | 81 | Confident | 84.2 | Confident | 152 Ų | 152 | 69 Ų | 69 | 81% | 0.813 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 25.4 | -173.9 | -73.3 | -15.9 | 0 | 0 | 0 | 114.8 | L870 L871 K872 | L870-N874 PolarHBondContact O-N 3.46Å; L871-N874 PolarHBondContact O-N 3Å; L871-N874 PolarHBondContact O-OD1 2.93Å; K872-N874 VanDerWaalsContact C-N 3.33Å |
| 875 | V | 82.2 | Confident | 84 | Confident | 27 Ų | 27 | 67.4 Ų | 67.4 | 16% | 0.164 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -81.8 | -26.7 | 177.1 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | P452 I453 L870 M873 W924 | P452-V875 HydrophobicContact CB-CG1 4.35Å; P452-V875 WeakPolarHBondContact O-CG2 3.12Å; I453-V875 HydrophobicContact CD1-CG1 4.42Å; I453-V875 HydrophobicContact CG1-CG1 3.88Å; L870-V875 HydrophobicContact CB-CB 4.35Å; L870-V875 HydrophobicContact CD2-CB 3.86Å; L870-V875 HydrophobicContact CD2-CG1 3.85Å; L870-V875 HydrophobicContact CD2-CG2 4.21Å; L870-V875 PolarHBondContact O-N 2.76Å; M873-V875 HydrophobicContact CB-CG2 3.81Å; M873-V875 PolarHBondContact O-N 2.78Å; M873-V875 VanDerWaalsContact O-N 3.14Å; V875-W924 HydrophobicContact CG1-CH2 3.93Å; V875-W924 HydrophobicContact CG1-CZ2 4.16Å |
| 876 | I | 85.5 | Confident | 83.5 | Confident | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -129.3 | 149 | 169.9 | 61 | -179.3 | 0 | 0 | 0 | 110.1 | L867 L870 L871 E880 F881 L884 W924 | L867-I876 HydrophobicContact CB-CD1 4.21Å; L867-I876 HydrophobicContact CD2-CD1 3.76Å; L870-I876 HydrophobicContact CB-CD1 3.9Å; L870-I876 HydrophobicContact CB-CG1 3.86Å; L871-I876 HydrophobicContact CB-CG1 4.27Å; I876-E880 WeakPolarHBondContact CA-OE2 3.34Å; I876-E880 HydrophobicContact CB-CB 3.94Å; I876-E880 HydrophobicContact CG2-CB 4.3Å; I876-F881 HydrophobicContact CD1-CB 4.12Å; I876-F881 HydrophobicContact CD1-CD2 4.23Å; I876-L884 HydrophobicContact CD1-CD1 4.32Å; I876-L884 HydrophobicContact CG2-CD1 4.22Å; I876-W924 HydrophobicContact CG2-CH2 3.82Å; I876-W924 HydrophobicContact CG2-CZ2 3.13Å |
| 877 | N | 84.7 | Confident | 82.5 | Confident | 78 Ų | 78 | 69.8 Ų | 69.8 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | trans | -87.7 | 178.3 | 172.8 | 78.3 | 12.8 | 0 | 0 | 0 | 112 | E879 E880 F881 | N877-E879 VanDerWaalsContact C-N 3.29Å; N877-E879 PolarHBondContact O-N 3.48Å; N877-E879 WeakPolarHBondContact OD1-CA 3.46Å; N877-E879 WeakPolarHBondContact OD1-CB 3.39Å; N877-E879 PolarHBondContact OD1-N 2.68Å; N877-E880 PolarHBondContact N-OE2 3.37Å; N877-E880 PolarHBondContact OD1-N 3.15Å; N877-F881 VanDerWaalsContact O-CB 3.32Å; N877-F881 WeakPolarHBondContact O-CB 3.16Å; N877-F881 PolarHBondContact O-N 3.21Å | ||
| 878 | N | 79.5 | Confident | 81.7 | Confident | 108 Ų | 108 | 73.3 Ų | 73.3 | 58% | 0.578 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66 | -25 | 179.4 | -84.3 | -39.6 | 0 | 0 | 0 | 114.3 | L871 N882 | L871-N878 WeakPolarHBondContact CD1-OD1 3.14Å; N878-N882 PolarHBondContact O-N 3.08Å; N878-N882 VanDerWaalsContact O-N 3.16Å; N878-N882 PolarHBondContact O-ND2 3.1Å |
| 879 | E | 77 | Confident | 81.2 | Confident | 140 Ų | 140 | 70.8 Ų | 70.8 | 65% | 0.654 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -76.6 | -50.3 | 176.7 | -58 | -177 | 128.3 | 0 | 0 | 110.4 | N877 F881 N882 I883 | N877-E879 VanDerWaalsContact C-N 3.29Å; N877-E879 PolarHBondContact O-N 3.48Å; N877-E879 WeakPolarHBondContact OD1-CA 3.46Å; N877-E879 WeakPolarHBondContact OD1-CB 3.39Å; N877-E879 PolarHBondContact OD1-N 2.68Å; E879-F881 VanDerWaalsContact C-N 3.3Å; E879-F881 PolarHBondContact O-N 2.74Å; E879-N882 CarbonylContact O-C 3.6Å; E879-N882 PolarHBondContact O-N 2.91Å; E879-I883 WeakPolarHBondContact O-CG1 2.96Å; E879-I883 PolarHBondContact O-N 3.23Å |
| 880 | E | 80 | Confident | 80.8 | Confident | 58 Ų | 58 | 71 Ų | 71 | 27% | 0.271 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -56.8 | -44 | 172.1 | -74.6 | -171 | 115 | 0 | 0 | 111 | I876 N877 N882 I883 L884 W924 | I876-E880 WeakPolarHBondContact CA-OE2 3.34Å; I876-E880 HydrophobicContact CB-CB 3.94Å; I876-E880 HydrophobicContact CG2-CB 4.3Å; N877-E880 PolarHBondContact N-OE2 3.37Å; N877-E880 PolarHBondContact OD1-N 3.15Å; E880-N882 VanDerWaalsContact C-N 3.3Å; E880-N882 PolarHBondContact O-N 2.56Å; E880-I883 PolarHBondContact O-N 2.92Å; E880-L884 HydrophobicContact CB-CD1 4.46Å; E880-L884 VanDerWaalsContact O-CB 3.28Å; E880-L884 WeakPolarHBondContact O-CB 3.29Å; E880-L884 WeakPolarHBondContact O-CG 3.2Å; E880-L884 PolarHBondContact O-N 2.86Å; E880-W924 PolarHBondContact OE1-NE1 3.26Å |
| 881 | F | 85.4 | Confident | 80.4 | Confident | 19 Ų | 19 | 72 Ų | 72 | 8% | 0.083 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -54.9 | -46 | 172.9 | 177.6 | -93 | 0 | 0 | 0 | 111.7 | K864 L867 L868 L871 I876 N877 E879 L884 K885 | K864-F881 HydrophobicContact CG-CZ 4.16Å; L867-F881 HydrophobicContact CB-CD2 3.71Å; L867-F881 HydrophobicContact CB-CE2 3.63Å; L868-F881 HydrophobicContact CB-CE2 4.47Å; L868-F881 HydrophobicContact CD2-CD2 4.49Å; L868-F881 HydrophobicContact CD2-CE2 3.65Å; L868-F881 HydrophobicContact CD2-CZ 3.66Å; L868-F881 HydrophobicContact CG-CE2 3.69Å; L868-F881 HydrophobicContact CG-CZ 3.88Å; L871-F881 HydrophobicContact CB-CD2 4.47Å; L871-F881 HydrophobicContact CD1-CB 3.92Å; L871-F881 HydrophobicContact CD1-CG 4.39Å; I876-F881 HydrophobicContact CD1-CB 4.12Å; I876-F881 HydrophobicContact CD1-CD2 4.23Å; N877-F881 VanDerWaalsContact O-CB 3.32Å; N877-F881 WeakPolarHBondContact O-CB 3.16Å; N877-F881 PolarHBondContact O-N 3.21Å; E879-F881 VanDerWaalsContact C-N 3.3Å; E879-F881 PolarHBondContact O-N 2.74Å; F881-L884 PolarHBondContact O-N 3.11Å; F881-K885 HydrophobicContact CE1-CB 4.38Å; F881-K885 HydrophobicContact CE1-CD 4.07Å; F881-K885 HydrophobicContact CE1-CG 4.45Å; F881-K885 WeakPolarHBondContact O-CA 3.39Å; F881-K885 WeakPolarHBondContact O-CB 3.32Å; F881-K885 PolarHBondContact O-N 3.19Å |
| 882 | N | 79.8 | Confident | 80.4 | Confident | 87 Ų | 87 | 70.5 Ų | 70.5 | 47% | 0.465 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -71.6 | -29.6 | 179.2 | -81.8 | -60.9 | 0 | 0 | 0 | 114.2 | N878 E879 E880 K885 | N878-N882 PolarHBondContact O-N 3.08Å; N878-N882 VanDerWaalsContact O-N 3.16Å; N878-N882 PolarHBondContact O-ND2 3.1Å; E879-N882 CarbonylContact O-C 3.6Å; E879-N882 PolarHBondContact O-N 2.91Å; E880-N882 VanDerWaalsContact C-N 3.3Å; E880-N882 PolarHBondContact O-N 2.56Å; N882-K885 PolarHBondContact OD1-NZ 2.95Å |
| 883 | I | 80.5 | Confident | 80.5 | Confident | 117 Ų | 117 | 65 Ų | 65 | 60% | 0.6 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -73 | -37.2 | 174.3 | -68 | 163.3 | 0 | 0 | 0 | 111.4 | E879 E880 | E879-I883 WeakPolarHBondContact O-CG1 2.96Å; E879-I883 PolarHBondContact O-N 3.23Å; E880-I883 PolarHBondContact O-N 2.92Å |
| 884 | L | 85.6 | Confident | 80.7 | Confident | 11 Ų | 11 | 61.2 Ų | 61.2 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -86.4 | -24.9 | -178.3 | -60.9 | 172.2 | 0 | 0 | 0 | 112.8 | L867 I876 E880 F881 P886 E920 W924 | L867-L884 VanDerWaalsContact CD1-C 3.47Å; L867-L884 HydrophobicContact CD1-CB 3.78Å; L867-L884 WeakPolarHBondContact CD1-O 2.87Å; L867-L884 HydrophobicContact CD2-CB 3.63Å; L867-L884 HydrophobicContact CD2-CD1 3.79Å; L867-L884 HydrophobicContact CD2-CG 4.35Å; L867-L884 HydrophobicContact CG-CB 4.39Å; I876-L884 HydrophobicContact CD1-CD1 4.32Å; I876-L884 HydrophobicContact CG2-CD1 4.22Å; E880-L884 HydrophobicContact CB-CD1 4.46Å; E880-L884 VanDerWaalsContact O-CB 3.28Å; E880-L884 WeakPolarHBondContact O-CB 3.29Å; E880-L884 WeakPolarHBondContact O-CG 3.2Å; E880-L884 PolarHBondContact O-N 2.86Å; F881-L884 PolarHBondContact O-N 3.11Å; L884-P886 VanDerWaalsContact O-CD 3.26Å; L884-P886 WeakPolarHBondContact O-CD 3.16Å; L884-E920 HydrophobicContact CD2-CB 4.04Å; L884-E920 WeakPolarHBondContact CD2-O 3.38Å; L884-W924 HydrophobicContact CD1-CB 4.34Å; L884-W924 HydrophobicContact CD1-CD2 4.02Å; L884-W924 HydrophobicContact CD1-CG 3.86Å; L884-W924 HydrophobicContact CD2-CB 3.65Å; L884-W924 HydrophobicContact CD2-CG 4.03Å |
| 885 | K | 81.4 | Confident | 81 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 28% | 0.283 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -63.2 | 115.2 | -179.9 | 173.9 | -162.4 | 75.5 | -162 | 0 | 110.2 | F881 N882 | F881-K885 HydrophobicContact CE1-CB 4.38Å; F881-K885 HydrophobicContact CE1-CD 4.07Å; F881-K885 HydrophobicContact CE1-CG 4.45Å; F881-K885 WeakPolarHBondContact O-CA 3.39Å; F881-K885 WeakPolarHBondContact O-CB 3.32Å; F881-K885 PolarHBondContact O-N 3.19Å; N882-K885 PolarHBondContact OD1-NZ 2.95Å |
| 886 | P | 78.4 | Confident | 81.2 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | trans | -69 | 146 | 172.9 | 28.5 | -33.8 | 0 | 0 | 0 | 111.9 | E860 V863 L884 S889 P917 | E860-P886 HydrophobicContact CB-CB 4.46Å; E860-P886 HydrophobicContact CB-CG 4.01Å; E860-P886 HydrophobicContact CG-CB 4Å; E860-P886 HydrophobicContact CG-CG 4.08Å; V863-P886 HydrophobicContact CB-CG 4.03Å; V863-P886 HydrophobicContact CG1-CG 3.91Å; L884-P886 VanDerWaalsContact O-CD 3.26Å; L884-P886 WeakPolarHBondContact O-CD 3.16Å; P886-S889 VanDerWaalsContact CB-OG 3.25Å; P886-S889 WeakPolarHBondContact CB-OG 3.34Å; P886-P917 HydrophobicContact CB-CB 4.19Å; P886-P917 HydrophobicContact CG-CB 4.24Å | ||
| 887 | S | 67.4 | Low | 81.3 | Confident | 100 Ų | 100 | 57.7 Ų | 57.7 | 70% | 0.699 | 32% | 0.323 | S | S | * | . | trans | -152 | 118.5 | 174.1 | 57.1 | 0 | 0 | 0 | 0 | 110.6 | E860 | E860-S887 PolarHBondContact OE1-N 3.2Š| ||
| 888 | G | 71.7 | Confident | 81.3 | Confident | 73 Ų | 73 | 54 Ų | 54 | 75% | 0.753 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 72.7 | 30.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E860 | E860-G888 PolarHBondContact OE1-N 3.05Å; E860-G888 VanDerWaalsContact OE1-N 3.11Å |
| 889 | S | 78.4 | Confident | 81.5 | Confident | 20 Ų | 20 | 50.3 Ų | 50.3 | 14% | 0.14 | 28% | 0.282 | C | S | . | . | trans | -64.4 | 149.6 | -174.5 | -53 | 0 | 0 | 0 | 0 | 112.8 | E860 P886 G915 | E860-S889 WeakPolarHBondContact OE1-CB 3.15Å; E860-S889 PolarHBondContact OE1-N 3.22Å; E860-S889 PolarHBondContact OE1-OG 2.89Å; P886-S889 VanDerWaalsContact CB-OG 3.25Å; P886-S889 WeakPolarHBondContact CB-OG 3.34Å; S889-G915 VanDerWaalsContact CA-O 3.3Å; S889-G915 WeakPolarHBondContact CA-O 2.93Å; S889-G915 WeakPolarHBondContact CB-O 3.14Å | ||
| 890 | V | 79.7 | Confident | 81.5 | Confident | 100 Ų | 100 | 47.1 Ų | 47.1 | 61% | 0.606 | 27% | 0.269 | S | S | * | . | trans | -112.5 | 151.2 | 172.9 | -172.1 | 0 | 0 | 0 | 0 | 108.3 | G915 S916 | V890-G915 PolarHBondContact N-O 3.03Å; V890-S916 VanDerWaalsContact O-CA 3.23Å; V890-S916 WeakPolarHBondContact O-CA 3.33Å | ||
| 891 | L | 79.7 | Confident | 81.2 | Confident | 21 Ų | 21 | 48.5 Ų | 48.5 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 146.3 | 171.6 | -71.4 | 159.2 | 0 | 0 | 0 | 110.5 | Q470 T472 Y477 I854 V856 N893 | Q470-L891 HydrophobicContact CB-CD2 3.96Å; T472-L891 HydrophobicContact CG2-CB 4.12Å; T472-L891 HydrophobicContact CG2-CD1 3.84Å; Y477-L891 HydrophobicContact CD1-CD1 3.78Å; Y477-L891 HydrophobicContact CE1-CD1 3.68Å; I854-L891 HydrophobicContact CG2-CD1 3.51Å; I854-L891 HydrophobicContact CG2-CD2 4.17Å; I854-L891 HydrophobicContact CG2-CG 4.41Å; V856-L891 HydrophobicContact CG2-CD1 4.16Å; V856-L891 HydrophobicContact CG2-CD2 3.99Å; V856-L891 HydrophobicContact CG2-CG 3.75Å; L891-N893 PolarHBondContact O-N 3.1Å |
| 892 | P | 84.3 | Confident | 80.4 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 5% | 0.045 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -52.2 | 137.7 | 167.1 | -19.9 | 29.2 | 0 | 0 | 0 | 110.3 | Q470 F471 T472 L911 S912 M913 | Q470-P892 VanDerWaalsContact O-CD 3.3Å; Q470-P892 WeakPolarHBondContact O-CD 3.03Å; F471-P892 CarbonylContact C-O 3.5Å; F471-P892 VanDerWaalsContact CA-O 3.25Å; F471-P892 WeakPolarHBondContact CA-O 3.05Å; F471-P892 HydrophobicContact CB-CB 4Å; F471-P892 HydrophobicContact CB-CG 4.47Å; F471-P892 WeakPolarHBondContact CB-O 3.16Å; T472-P892 PolarHBondContact N-O 3.27Å; T472-P892 PolarHBondContact OG1-O 2.89Å; P892-L911 HydrophobicContact CB-CD1 3.68Å; P892-L911 HydrophobicContact CB-CD2 4.23Å; P892-L911 HydrophobicContact CB-CG 3.82Å; P892-S912 VanDerWaalsContact CA-O 3.24Å; P892-S912 WeakPolarHBondContact CA-O 3.12Å; P892-M913 HydrophobicContact CB-CG 4.25Å; P892-M913 HydrophobicContact CG-CG 4.17Å |
| 893 | N | 85.1 | Confident | 80.1 | Confident | 70 Ų | 70 | 55 Ų | 55 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.7 | 171.9 | 178.4 | 90 | 0 | 0 | 0 | 109.9 | T472 L891 S912 | T472-N893 WeakPolarHBondContact O-CA 3.2Å; L891-N893 PolarHBondContact O-N 3.1Å; N893-S912 PolarHBondContact N-O 3.16Å; N893-S912 VanDerWaalsContact O-CB 3.26Å; N893-S912 WeakPolarHBondContact O-CB 3.27Å; N893-S912 PolarHBondContact O-N 2.88Å |
| 894 | L | 88.3 | Confident | 79.9 | Confident | 7 Ų | 7 | 56.5 Ų | 56.5 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 142.3 | 173.9 | -169.8 | 75.2 | 0 | 0 | 0 | 110.6 | F471 T472 F473 M836 L840 P909 L911 | F471-L894 HydrophobicContact CD2-CB 3.63Å; F471-L894 HydrophobicContact CD2-CD2 4.39Å; F471-L894 HydrophobicContact CE2-CB 3.7Å; F471-L894 HydrophobicContact CE2-CD2 3.58Å; F471-L894 HydrophobicContact CE2-CG 4.16Å; F471-L894 HydrophobicContact CZ-CD2 3.99Å; T472-L894 PolarHBondContact O-N 2.82Å; F473-L894 WeakPolarHBondContact CD2-O 3.3Å; M836-L894 HydrophobicContact CE-CD2 3.51Å; M836-L894 HydrophobicContact CE-CG 3.75Å; L840-L894 HydrophobicContact CD1-CD2 4.32Å; L840-L894 HydrophobicContact CD2-CD2 3.72Å; L840-L894 HydrophobicContact CG-CD2 4.24Å; L894-P909 HydrophobicContact CD1-CB 4.19Å; L894-L911 HydrophobicContact CB-CD1 4.16Å; L894-L911 HydrophobicContact CD1-CB 4.15Å; L894-L911 HydrophobicContact CD1-CD1 3.96Å |
| 895 | Y | 86.1 | Confident | 79.7 | Confident | 80 Ų | 80 | 58 Ų | 58 | 31% | 0.314 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 155.2 | 172.5 | 67.2 | -73.5 | 0 | 0 | 0 | 111.8 | Y832 L897 I910 | Y832-Y895 VanDerWaalsContact OH-CA 3.32Å; Y832-Y895 WeakPolarHBondContact OH-CA 2.9Å; Y832-Y895 WeakPolarHBondContact OH-CB 3.09Å; Y895-L897 HydrophobicContact CD2-CD2 4.33Å; Y895-L897 HydrophobicContact CE2-CD2 3.79Å; Y895-L897 HydrophobicContact CE2-CG 4.23Å; Y895-I910 HydrophobicContact CD1-CB 4.44Å; Y895-I910 WeakPolarHBondContact CD1-O 3.3Å; Y895-I910 HydrophobicContact CE1-CB 3.94Å; Y895-I910 HydrophobicContact CE1-CG2 3.7Å; Y895-I910 WeakPolarHBondContact CE1-O 3.13Å; Y895-I910 HydrophobicContact CE2-CB 4.42Å; Y895-I910 PolarHBondContact N-O 2.91Å; Y895-I910 PolarHBondContact O-N 2.89Å |
| 896 | G | 86.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 133.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y832 M836 R908 | Y832-G896 PolarHBondContact OH-N 3.36Å; M836-G896 WeakPolarHBondContact SD-CA 3.09Å; M836-G896 PolarHBondContact SD-N 3.3Å; M836-G896 VanDerWaalsContact SD-N 3.42Å; G896-R908 WeakPolarHBondContact CA-O 3.02Å |
| 897 | L | 87.9 | Confident | 80.3 | Confident | 30 Ų | 30 | 57.1 Ų | 57.1 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 114.9 | 169 | -67 | -178 | 0 | 0 | 0 | 110.8 | R817 D819 Y895 K899 L907 R908 I910 | R817-L897 HydrophobicContact CB-CD2 4.34Å; R817-L897 WeakPolarHBondContact O-CD2 3.45Å; D819-L897 HydrophobicContact CB-CB 4.09Å; Y895-L897 HydrophobicContact CD2-CD2 4.33Å; Y895-L897 HydrophobicContact CE2-CD2 3.79Å; Y895-L897 HydrophobicContact CE2-CG 4.23Å; L897-K899 PolarHBondContact O-N 3.26Å; L897-L907 CarbonylContact O-C 3.55Å; L897-L907 WeakPolarHBondContact O-CA 3.5Å; L897-R908 HydrophobicContact CB-CB 4.44Å; L897-R908 PolarHBondContact N-O 3.18Å; L897-R908 PolarHBondContact O-N 2.82Å; L897-I910 HydrophobicContact CD1-CD1 4.31Å; L897-I910 HydrophobicContact CD1-CG1 3.66Å; L897-I910 HydrophobicContact CG-CG1 3.87Å |
| 898 | P | 86 | Confident | 81.2 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 122.8 | -179.9 | -27 | 36.2 | 0 | 0 | 0 | 114.1 | L816 R817 P818 D819 V825 I900 I905 L907 | L816-P898 HydrophobicContact CD1-CG 4.38Å; R817-P898 VanDerWaalsContact O-CD 3.3Å; R817-P898 WeakPolarHBondContact O-CD 2.87Å; P818-P898 WeakPolarHBondContact CA-O 3.49Å; D819-P898 PolarHBondContact N-O 3.5Å; V825-P898 HydrophobicContact CB-CG 4.38Å; V825-P898 HydrophobicContact CG1-CG 4.17Å; V825-P898 HydrophobicContact CG2-CB 4.46Å; V825-P898 HydrophobicContact CG2-CG 4.35Å; P898-I900 VanDerWaalsContact C-N 3.27Å; P898-I900 HydrophobicContact CB-CG2 4.12Å; P898-I900 PolarHBondContact O-N 3.25Å; P898-I905 HydrophobicContact CB-CG2 3.67Å; P898-L907 HydrophobicContact CB-CD2 4.07Å; P898-L907 HydrophobicContact CG-CD2 3.76Å |
| 899 | K | 82.2 | Confident | 82 | Confident | 30 Ų | 30 | 54 Ų | 54 | 13% | 0.13 | 28% | 0.28 | C | S | . | . | trans | -81.4 | 66.8 | 175.2 | -62.3 | -174 | 174.8 | -63.2 | 0 | 111.5 | D819 L897 H901 K902 P906 R908 | D819-K899 HydrophobicContact CB-CB 4.42Å; D819-K899 HydrophobicContact CB-CG 3.76Å; D819-K899 IonicContact OD1-NZ 2.63Å; D819-K899 PolarHBondContact OD1-NZ 2.74Å; D819-K899 IonicContact OD2-NZ 2.67Å; D819-K899 PolarHBondContact OD2-NZ 2.71Å; L897-K899 PolarHBondContact O-N 3.26Å; K899-H901 PolarHBondContact O-N 3.26Å; K899-K902 PolarHBondContact O-N 3.1Å; K899-P906 HydrophobicContact CB-CG 4.21Å; K899-P906 WeakPolarHBondContact CB-O 3.28Å; K899-P906 HydrophobicContact CD-CG 4.23Å; K899-P906 VanDerWaalsContact CG-O 3.27Å; K899-P906 WeakPolarHBondContact CG-O 3.13Å; K899-P906 PolarHBondContact N-O 2.79Å; K899-R908 VanDerWaalsContact NZ-CZ 3.34Å | ||
| 900 | I | 77.8 | Confident | 82.2 | Confident | 73 Ų | 73 | 54.6 Ų | 54.6 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 4.9 | -177.8 | 65 | 169.2 | 0 | 0 | 0 | 116.4 | P818 V825 P898 I905 | P818-I900 HydrophobicContact CB-CD1 3.71Å; P818-I900 HydrophobicContact CB-CG1 3.92Å; P818-I900 HydrophobicContact CB-CG2 4.24Å; P818-I900 HydrophobicContact CG-CD1 4.17Å; V825-I900 HydrophobicContact CG2-CG2 4.41Å; P898-I900 VanDerWaalsContact C-N 3.27Å; P898-I900 HydrophobicContact CB-CG2 4.12Å; P898-I900 PolarHBondContact O-N 3.25Å; I900-I905 HydrophobicContact CG2-CG2 3.99Å |
| 901 | H | 72.7 | Confident | 82.5 | Confident | 87 Ų | 87 | 50.1 Ų | 50.1 | 40% | 0.403 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -2.1 | 177.5 | 67.1 | -78.3 | 0 | 0 | 0 | 113.2 | D819 K820 K899 | D819-H901 IonicContact OD2-CE1 2.68Å; D819-H901 PolarHBondContact OD2-CE1 3.15Å; K820-H901 WeakPolarHBondContact CD-CE1 3.47Å; K820-H901 WeakPolarHBondContact CE-NE2 3.41Å; K820-H901 PolarHBondContact NZ-NE2 3.22Å; K899-H901 PolarHBondContact O-N 3.26Å |
| 902 | K | 70.1 | Confident | 82.6 | Confident | 126 Ų | 126 | 51.3 Ų | 51.3 | 55% | 0.548 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -108.1 | 147.9 | 167.2 | -72.7 | -157.7 | 173.2 | -163.8 | 0 | 109 | K899 I905 P906 | K899-K902 PolarHBondContact O-N 3.1Å; K902-I905 PolarHBondContact O-N 3.47Å; K902-P906 HydrophobicContact CB-CG 4.27Å |
| 903 | P | 71.8 | Confident | 82.5 | Confident | 116 Ų | 116 | 51.1 Ų | 51.1 | 75% | 0.753 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 156.4 | 173.1 | 25.7 | -34.7 | 0 | 0 | 0 | 111.3 | I905 P906 | P903-I905 PolarHBondContact O-N 3.14Å; P903-P906 WeakPolarHBondContact O-CD 3.33Å |
| 904 | N | 77.1 | Confident | 82 | Confident | 149 Ų | 149 | 58 Ų | 58 | 80% | 0.797 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | -5.2 | -173.1 | -60 | -4.8 | 0 | 0 | 0 | 116.4 | K835 | K835-N904 PolarHBondContact NZ-O 3.06Š|
| 905 | I | 80.8 | Confident | 81.4 | Confident | 42 Ų | 42 | 59.7 Ų | 59.7 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | trans | 51.4 | 62.1 | 179.5 | -45.6 | -179.3 | 0 | 0 | 0 | 111.3 | L718 P898 I900 K902 P903 | L718-I905 HydrophobicContact CD1-CD1 4.28Å; L718-I905 HydrophobicContact CD2-CD1 4.19Å; P898-I905 HydrophobicContact CB-CG2 3.67Å; I900-I905 HydrophobicContact CG2-CG2 3.99Å; K902-I905 PolarHBondContact O-N 3.47Å; P903-I905 PolarHBondContact O-N 3.14Å | ||
| 906 | P | 85 | Confident | 81.4 | Confident | 55 Ų | 55 | 56.3 Ų | 56.3 | 36% | 0.357 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 152.5 | 172.3 | 25 | -33.6 | 0 | 0 | 0 | 110.8 | K899 K902 P903 | K899-P906 HydrophobicContact CB-CG 4.21Å; K899-P906 WeakPolarHBondContact CB-O 3.28Å; K899-P906 HydrophobicContact CD-CG 4.23Å; K899-P906 VanDerWaalsContact CG-O 3.27Å; K899-P906 WeakPolarHBondContact CG-O 3.13Å; K899-P906 PolarHBondContact N-O 2.79Å; K902-P906 HydrophobicContact CB-CG 4.27Å; P903-P906 WeakPolarHBondContact O-CD 3.33Å |
| 907 | L | 87.4 | Confident | 81.2 | Confident | 12 Ų | 12 | 56.5 Ų | 56.5 | 6% | 0.063 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 142.8 | 175.9 | -53.1 | -177.5 | 0 | 0 | 0 | 109.5 | Y832 K835 M836 I839 L897 P898 | Y832-L907 HydrophobicContact CD2-CD1 3.88Å; Y832-L907 HydrophobicContact CE2-CD1 3.99Å; K835-L907 HydrophobicContact CB-CD1 3.61Å; K835-L907 HydrophobicContact CB-CG 4.03Å; M836-L907 HydrophobicContact CG-CD1 3.71Å; M836-L907 HydrophobicContact SD-CB 4.42Å; M836-L907 HydrophobicContact SD-CD1 3.63Å; I839-L907 HydrophobicContact CD1-CB 4Å; L897-L907 CarbonylContact O-C 3.55Å; L897-L907 WeakPolarHBondContact O-CA 3.5Å; P898-L907 HydrophobicContact CB-CD2 4.07Å; P898-L907 HydrophobicContact CG-CD2 3.76Å |
| 908 | R | 88 | Confident | 81.2 | Confident | 87 Ų | 87 | 55.5 Ų | 55.5 | 33% | 0.328 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 119.7 | 156.8 | -173.1 | 173.1 | -100.5 | 151.8 | -24.1 | 107.6 | M486 D819 G896 L897 K899 I910 | M486-R908 HydrophobicContact SD-CG 4.07Å; D819-R908 WeakPolarHBondContact OD1-CB 3.38Å; D819-R908 VanDerWaalsContact OD1-CD 3.3Å; D819-R908 WeakPolarHBondContact OD1-CD 3.5Å; D819-R908 IonicContact OD1-CZ 2.68Å; D819-R908 IonicContact OD1-NE 3.64Å; D819-R908 IonicContact OD1-NH1 3.18Å; D819-R908 PolarHBondContact OD1-NH1 3.44Å; D819-R908 IonicContact OD2-NH1 3.89Å; G896-R908 WeakPolarHBondContact CA-O 3.02Å; L897-R908 HydrophobicContact CB-CB 4.44Å; L897-R908 PolarHBondContact N-O 3.18Å; L897-R908 PolarHBondContact O-N 2.82Å; K899-R908 VanDerWaalsContact NZ-CZ 3.34Å; R908-I910 HydrophobicContact CG-CD1 3.93Å; R908-I910 HydrophobicContact CG-CG1 4.45Å; R908-I910 PolarHBondContact O-N 3.07Å |
| 909 | P | 86.8 | Confident | 81.3 | Confident | 20 Ų | 20 | 56.8 Ų | 56.8 | 13% | 0.13 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 131 | 169.6 | 28.7 | -32.8 | 0 | 0 | 0 | 108.9 | M486 I839 L894 | M486-P909 WeakPolarHBondContact CB-O 3.46Å; M486-P909 HydrophobicContact SD-CG 4.46Å; I839-P909 HydrophobicContact CG2-CB 4.31Å; I839-P909 HydrophobicContact CG2-CG 4.15Å; L894-P909 HydrophobicContact CD1-CB 4.19Å |
| 910 | I | 82.4 | Confident | 81.4 | Confident | 34 Ų | 34 | 58.6 Ų | 58.6 | 17% | 0.174 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 122.2 | 174.7 | -59.9 | -66.1 | 0 | 0 | 0 | 108.6 | M486 Y895 L897 R908 | M486-I910 WeakPolarHBondContact O-CA 3.12Å; Y895-I910 HydrophobicContact CD1-CB 4.44Å; Y895-I910 WeakPolarHBondContact CD1-O 3.3Å; Y895-I910 HydrophobicContact CE1-CB 3.94Å; Y895-I910 HydrophobicContact CE1-CG2 3.7Å; Y895-I910 WeakPolarHBondContact CE1-O 3.13Å; Y895-I910 HydrophobicContact CE2-CB 4.42Å; Y895-I910 PolarHBondContact N-O 2.91Å; Y895-I910 PolarHBondContact O-N 2.89Å; L897-I910 HydrophobicContact CD1-CD1 4.31Å; L897-I910 HydrophobicContact CD1-CG1 3.66Å; L897-I910 HydrophobicContact CG-CG1 3.87Å; R908-I910 HydrophobicContact CG-CD1 3.93Å; R908-I910 HydrophobicContact CG-CG1 4.45Å; R908-I910 PolarHBondContact O-N 3.07Å |
| 911 | L | 86.3 | Confident | 81.9 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 110.7 | 177.5 | -168.8 | 65.2 | 0 | 0 | 0 | 110.5 | V469 F471 A485 M486 P892 L894 M913 | V469-L911 HydrophobicContact CG1-CD2 3.82Å; F471-L911 HydrophobicContact CB-CD1 3.59Å; F471-L911 HydrophobicContact CD1-CD1 4.12Å; F471-L911 HydrophobicContact CD2-CD1 4.28Å; F471-L911 HydrophobicContact CG-CD1 3.78Å; A485-L911 HydrophobicContact CB-CD2 3.72Å; M486-L911 PolarHBondContact O-N 2.84Å; P892-L911 HydrophobicContact CB-CD1 3.68Å; P892-L911 HydrophobicContact CB-CD2 4.23Å; P892-L911 HydrophobicContact CB-CG 3.82Å; L894-L911 HydrophobicContact CB-CD1 4.16Å; L894-L911 HydrophobicContact CD1-CB 4.15Å; L894-L911 HydrophobicContact CD1-CD1 3.96Å; L911-M913 VanDerWaalsContact C-N 3.33Å; L911-M913 HydrophobicContact CD2-CE 3.92Å; L911-M913 HydrophobicContact CD2-CG 3.98Å; L911-M913 HydrophobicContact CG-CG 4.17Å; L911-M913 PolarHBondContact O-N 3.2Å |
| 912 | S | 82.3 | Confident | 82.7 | Confident | 45 Ų | 45 | 51 Ų | 51 | 32% | 0.315 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 82.5 | 172 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | P892 N893 R914 | P892-S912 VanDerWaalsContact CA-O 3.24Å; P892-S912 WeakPolarHBondContact CA-O 3.12Å; N893-S912 PolarHBondContact N-O 3.16Å; N893-S912 VanDerWaalsContact O-CB 3.26Å; N893-S912 WeakPolarHBondContact O-CB 3.27Å; N893-S912 PolarHBondContact O-N 2.88Å; S912-R914 PolarHBondContact O-N 2.96Å; S912-R914 VanDerWaalsContact O-N 3.16Å |
| 913 | M | 81.9 | Confident | 83.3 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | trans | -66.2 | -4.3 | 170.6 | -75.7 | -169.3 | 159.3 | 0 | 0 | 114.1 | V469 P892 L911 G915 S916 H919 | V469-M913 HydrophobicContact CG1-CE 3.77Å; V469-M913 HydrophobicContact CG2-CE 4.35Å; P892-M913 HydrophobicContact CB-CG 4.25Å; P892-M913 HydrophobicContact CG-CG 4.17Å; L911-M913 VanDerWaalsContact C-N 3.33Å; L911-M913 HydrophobicContact CD2-CE 3.92Å; L911-M913 HydrophobicContact CD2-CG 3.98Å; L911-M913 HydrophobicContact CG-CG 4.17Å; L911-M913 PolarHBondContact O-N 3.2Å; M913-G915 PolarHBondContact O-N 2.6Å; M913-S916 WeakPolarHBondContact O-CB 3.42Å; M913-S916 PolarHBondContact O-N 3.12Å; M913-S916 PolarHBondContact O-OG 2.86Å; M913-S916 VanDerWaalsContact O-OG 3.1Å; M913-H919 HydrophobicContact CB-CB 4.38Å; M913-H919 VanDerWaalsContact O-CB 3.25Å; M913-H919 WeakPolarHBondContact O-CB 3.1Å | ||
| 914 | R | 75.8 | Confident | 84.2 | Confident | 216 Ų | 216 | 44.3 Ų | 44.3 | 82% | 0.815 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 114.2 | -175.7 | -167.7 | -179.9 | -165.5 | -140.3 | -0.1 | 111.2 | S912 | S912-R914 PolarHBondContact O-N 2.96Å; S912-R914 VanDerWaalsContact O-N 3.16Å |
| 915 | G | 75.5 | Confident | 84.7 | Confident | 41 Ų | 41 | 37.2 Ų | 37.2 | 42% | 0.423 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.2 | 3.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | S889 V890 M913 | S889-G915 VanDerWaalsContact CA-O 3.3Å; S889-G915 WeakPolarHBondContact CA-O 2.93Å; S889-G915 WeakPolarHBondContact CB-O 3.14Å; V890-G915 PolarHBondContact N-O 3.03Å; M913-G915 PolarHBondContact O-N 2.6Å |
| 916 | S | 84.5 | Confident | 85.1 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 6% | 0.063 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -82.6 | 156.2 | 173.6 | 84.5 | 0 | 0 | 0 | 0 | 112.8 | V890 M913 T918 H919 | V890-S916 VanDerWaalsContact O-CA 3.23Å; V890-S916 WeakPolarHBondContact O-CA 3.33Å; M913-S916 WeakPolarHBondContact O-CB 3.42Å; M913-S916 PolarHBondContact O-N 3.12Å; M913-S916 PolarHBondContact O-OG 2.86Å; M913-S916 VanDerWaalsContact O-OG 3.1Å; S916-T918 PolarHBondContact O-N 3.09Å; S916-T918 VanDerWaalsContact O-N 3.11Å; S916-H919 WeakPolarHBondContact O-CB 3.23Å; S916-H919 PolarHBondContact O-N 3.07Å |
| 917 | P | 83.2 | Confident | 85 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -29.2 | -175.9 | -25.9 | 34.7 | 0 | 0 | 0 | 114.5 | V856 L859 E860 V863 P886 | V856-P917 HydrophobicContact CG1-CG 3.99Å; L859-P917 HydrophobicContact CB-CG 4.3Å; L859-P917 HydrophobicContact CD2-CB 4.23Å; L859-P917 HydrophobicContact CD2-CG 3.96Å; L859-P917 HydrophobicContact CG-CB 3.95Å; L859-P917 HydrophobicContact CG-CG 4.01Å; E860-P917 HydrophobicContact CG-CB 4.05Å; E860-P917 HydrophobicContact CG-CG 3.82Å; V863-P917 HydrophobicContact CG2-CB 4.2Å; P886-P917 HydrophobicContact CB-CB 4.19Å; P886-P917 HydrophobicContact CG-CB 4.24Å |
| 918 | T | 88.1 | Confident | 84.9 | Confident | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.055 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -8.4 | -173.6 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | L464 L859 V863 S916 E920 L921 A922 | L464-T918 WeakPolarHBondContact O-CG2 3.38Å; L859-T918 HydrophobicContact CD1-CG2 4.43Å; V863-T918 HydrophobicContact CG2-CG2 3.93Å; S916-T918 PolarHBondContact O-N 3.09Å; S916-T918 VanDerWaalsContact O-N 3.11Å; T918-E920 PolarHBondContact O-N 3.23Å; T918-L921 PolarHBondContact O-N 2.99Å; T918-A922 VanDerWaalsContact O-CB 3.28Å; T918-A922 WeakPolarHBondContact O-CB 3.38Å; T918-A922 PolarHBondContact O-N 2.94Å |
| 919 | H | 87.1 | Confident | 85 | Confident | 28 Ų | 28 | 39 Ų | 39 | 13% | 0.13 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.1 | -46.1 | -168.6 | 178.8 | -118.5 | 0 | 0 | 0 | 114.2 | M913 S916 K923 | M913-H919 HydrophobicContact CB-CB 4.38Å; M913-H919 VanDerWaalsContact O-CB 3.25Å; M913-H919 WeakPolarHBondContact O-CB 3.1Å; S916-H919 WeakPolarHBondContact O-CB 3.23Å; S916-H919 PolarHBondContact O-N 3.07Å; H919-K923 WeakPolarHBondContact CE1-CE 3.2Å; H919-K923 PolarHBondContact CE1-NZ 3.21Å; H919-K923 WeakPolarHBondContact NE2-CE 3.4Å; H919-K923 WeakPolarHBondContact O-CG 3.38Å; H919-K923 PolarHBondContact O-N 2.8Å |
| 920 | E | 84.7 | Confident | 84.7 | Confident | 69 Ų | 69 | 41.1 Ų | 41.1 | 32% | 0.322 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -77.6 | -39.1 | -179.4 | -56.8 | -53.8 | 140.8 | 0 | 0 | 111.5 | L884 T918 A922 K923 W924 | L884-E920 HydrophobicContact CD2-CB 4.04Å; L884-E920 WeakPolarHBondContact CD2-O 3.38Å; T918-E920 PolarHBondContact O-N 3.23Å; E920-A922 VanDerWaalsContact C-N 3.35Å; E920-A922 PolarHBondContact O-N 2.82Å; E920-K923 PolarHBondContact O-N 3.24Å; E920-K923 IonicContact OE1-NZ 3.03Å; E920-K923 PolarHBondContact OE1-NZ 2.99Å; E920-K923 WeakPolarHBondContact OE2-CE 3.21Å; E920-K923 IonicContact OE2-NZ 2.89Å; E920-K923 PolarHBondContact OE2-NZ 2.97Å; E920-W924 PolarHBondContact O-N 3.13Å |
| 921 | L | 88.9 | Confident | 84.5 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.4 | -46.1 | 171.9 | 176.8 | 61.4 | 0 | 0 | 0 | 111.7 | L461 L464 V863 L867 T918 K923 W924 L925 | L461-L921 HydrophobicContact CD2-CD1 4.4Å; L461-L921 HydrophobicContact CD2-CD2 4.17Å; L464-L921 HydrophobicContact CD2-CD2 4.32Å; V863-L921 HydrophobicContact CG1-CD2 4.23Å; L867-L921 HydrophobicContact CD2-CD1 4.17Å; T918-L921 PolarHBondContact O-N 2.99Å; L921-K923 PolarHBondContact O-N 3.33Å; L921-W924 HydrophobicContact CD1-CE3 3.97Å; L921-W924 HydrophobicContact CD1-CZ3 4.32Å; L921-W924 PolarHBondContact O-N 3.49Å; L921-W924 VanDerWaalsContact O-N 3.15Å; L921-L925 HydrophobicContact CD1-CD1 4.33Å; L921-L925 HydrophobicContact CD1-CG 4.29Å; L921-L925 HydrophobicContact CG-CD1 4.16Å; L921-L925 WeakPolarHBondContact O-CG 3.3Å; L921-L925 PolarHBondContact O-N 3.37Å |
| 922 | A | 88.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C465 P489 L490 T918 E920 V926 | C465-A922 HydrophobicContact CB-CB 4.09Å; P489-A922 HydrophobicContact CB-CB 4.04Å; P489-A922 HydrophobicContact CG-CB 3.89Å; L490-A922 HydrophobicContact CD1-CB 4.07Å; L490-A922 HydrophobicContact CG-CB 4.33Å; T918-A922 VanDerWaalsContact O-CB 3.28Å; T918-A922 WeakPolarHBondContact O-CB 3.38Å; T918-A922 PolarHBondContact O-N 2.94Å; E920-A922 VanDerWaalsContact C-N 3.35Å; E920-A922 PolarHBondContact O-N 2.82Å; A922-V926 WeakPolarHBondContact O-CG2 3.26Å; A922-V926 PolarHBondContact O-N 3.48Å; A922-V926 VanDerWaalsContact O-N 3.15Å |
| 923 | K | 83.1 | Confident | 84.2 | Confident | 85 Ų | 85 | 43.8 Ų | 43.8 | 37% | 0.37 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.2 | -40.4 | 173 | -67.2 | 178.7 | -148.3 | 161.9 | 0 | 112.1 | P489 H919 E920 L921 V926 K927 | P489-K923 HydrophobicContact CB-CG 4.03Å; P489-K923 HydrophobicContact CG-CG 3.88Å; H919-K923 WeakPolarHBondContact CE1-CE 3.2Å; H919-K923 PolarHBondContact CE1-NZ 3.21Å; H919-K923 WeakPolarHBondContact NE2-CE 3.4Å; H919-K923 WeakPolarHBondContact O-CG 3.38Å; H919-K923 PolarHBondContact O-N 2.8Å; E920-K923 PolarHBondContact O-N 3.24Å; E920-K923 IonicContact OE1-NZ 3.03Å; E920-K923 PolarHBondContact OE1-NZ 2.99Å; E920-K923 WeakPolarHBondContact OE2-CE 3.21Å; E920-K923 IonicContact OE2-NZ 2.89Å; E920-K923 PolarHBondContact OE2-NZ 2.97Å; L921-K923 PolarHBondContact O-N 3.33Å; K923-V926 PolarHBondContact O-N 3.19Å; K923-K927 PolarHBondContact O-N 2.82Å |
| 924 | W | 90.1 | Very high | 83.6 | Confident | 16 Ų | 16 | 46.7 Ų | 46.7 | 6% | 0.061 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.2 | -40.6 | -179.8 | 177.6 | 92.4 | 0 | 0 | 0 | 111.7 | I453 L870 V875 I876 E880 L884 E920 L921 V926 K927 L928 | I453-W924 HydrophobicContact CD1-CH2 3.9Å; I453-W924 HydrophobicContact CD1-CZ3 3.98Å; L870-W924 HydrophobicContact CD1-CH2 3.91Å; L870-W924 HydrophobicContact CD1-CZ3 3.86Å; L870-W924 HydrophobicContact CD2-CH2 4.19Å; V875-W924 HydrophobicContact CG1-CH2 3.93Å; V875-W924 HydrophobicContact CG1-CZ2 4.16Å; I876-W924 HydrophobicContact CG2-CH2 3.82Å; I876-W924 HydrophobicContact CG2-CZ2 3.13Å; E880-W924 PolarHBondContact OE1-NE1 3.26Å; L884-W924 HydrophobicContact CD1-CB 4.34Å; L884-W924 HydrophobicContact CD1-CD2 4.02Å; L884-W924 HydrophobicContact CD1-CG 3.86Å; L884-W924 HydrophobicContact CD2-CB 3.65Å; L884-W924 HydrophobicContact CD2-CG 4.03Å; E920-W924 PolarHBondContact O-N 3.13Å; L921-W924 HydrophobicContact CD1-CE3 3.97Å; L921-W924 HydrophobicContact CD1-CZ3 4.32Å; L921-W924 PolarHBondContact O-N 3.49Å; L921-W924 VanDerWaalsContact O-N 3.15Å; W924-V926 PolarHBondContact O-N 2.71Å; W924-K927 WeakPolarHBondContact O-CA 3.32Å; W924-K927 VanDerWaalsContact O-CB 3.24Å; W924-K927 WeakPolarHBondContact O-CB 3.32Å; W924-K927 PolarHBondContact O-N 3.12Å; W924-K927 VanDerWaalsContact O-N 3.08Å; W924-L928 HydrophobicContact CD2-CD1 4.29Å; W924-L928 HydrophobicContact CE3-CD1 4.11Å; W924-L928 HydrophobicContact CH2-CD1 3.44Å; W924-L928 VanDerWaalsContact CH2-CD1 3.44Å; W924-L928 HydrophobicContact CZ2-CD1 3.61Å; W924-L928 HydrophobicContact CZ2-CG 4.37Å; W924-L928 HydrophobicContact CZ3-CD1 3.71Å; W924-L928 PolarHBondContact O-N 2.91Å |
| 925 | L | 89.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.1 | -43.9 | 171.4 | -68.6 | 168.9 | 0 | 0 | 0 | 112.2 | I453 L458 L461 L462 L490 L921 K927 L928 L929 | I453-L925 HydrophobicContact CD1-CD2 4.39Å; L458-L925 HydrophobicContact CD1-CD2 4.3Å; L461-L925 HydrophobicContact CB-CD1 4.09Å; L461-L925 HydrophobicContact CB-CD2 4.13Å; L461-L925 HydrophobicContact CD1-CD2 4.44Å; L462-L925 HydrophobicContact CD2-CD1 4.48Å; L490-L925 HydrophobicContact CD1-CB 4.46Å; L490-L925 HydrophobicContact CD1-CD1 4.14Å; L490-L925 HydrophobicContact CD2-CB 4.12Å; L921-L925 HydrophobicContact CD1-CD1 4.33Å; L921-L925 HydrophobicContact CD1-CG 4.29Å; L921-L925 HydrophobicContact CG-CD1 4.16Å; L921-L925 WeakPolarHBondContact O-CG 3.3Å; L921-L925 PolarHBondContact O-N 3.37Å; L925-K927 VanDerWaalsContact C-N 3.27Å; L925-K927 PolarHBondContact O-N 2.9Å; L925-L928 PolarHBondContact O-N 3.28Å; L925-L929 WeakPolarHBondContact O-CB 3.34Å; L925-L929 WeakPolarHBondContact O-CG 3.46Å; L925-L929 PolarHBondContact O-N 3.06Å |
| 926 | V | 88.2 | Confident | 83.9 | Confident | 28 Ų | 28 | 39 Ų | 39 | 17% | 0.17 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.7 | -39.9 | 172.6 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | P489 L490 A922 K923 W924 L928 L929 N930 | P489-V926 HydrophobicContact CB-CG2 4.34Å; P489-V926 VanDerWaalsContact O-CG2 3.3Å; P489-V926 WeakPolarHBondContact O-CG2 3.09Å; L490-V926 HydrophobicContact CB-CG2 4.45Å; L490-V926 HydrophobicContact CD2-CG2 3.61Å; L490-V926 HydrophobicContact CG-CG2 3.91Å; A922-V926 WeakPolarHBondContact O-CG2 3.26Å; A922-V926 PolarHBondContact O-N 3.48Å; A922-V926 VanDerWaalsContact O-N 3.15Å; K923-V926 PolarHBondContact O-N 3.19Å; W924-V926 PolarHBondContact O-N 2.71Å; V926-L928 VanDerWaalsContact C-N 3.34Å; V926-L928 PolarHBondContact O-N 3.36Å; V926-L929 PolarHBondContact O-N 3.45Å; V926-N930 WeakPolarHBondContact CG1-ND2 3.06Å; V926-N930 PolarHBondContact O-N 3.46Å; V926-N930 VanDerWaalsContact O-N 3.15Å; V926-N930 PolarHBondContact O-ND2 3.26Å |
| 927 | K | 82.8 | Confident | 83.8 | Confident | 153 Ų | 153 | 38.9 Ų | 38.9 | 67% | 0.665 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -62.5 | -39.7 | 178.5 | -159.4 | -174.8 | 177.1 | -164.2 | 0 | 111.6 | K923 W924 L925 | K923-K927 PolarHBondContact O-N 2.82Å; W924-K927 WeakPolarHBondContact O-CA 3.32Å; W924-K927 VanDerWaalsContact O-CB 3.24Å; W924-K927 WeakPolarHBondContact O-CB 3.32Å; W924-K927 PolarHBondContact O-N 3.12Å; W924-K927 VanDerWaalsContact O-N 3.08Å; L925-K927 VanDerWaalsContact C-N 3.27Å; L925-K927 PolarHBondContact O-N 2.9Å |
| 928 | L | 85.7 | Confident | 83.6 | Confident | 50 Ų | 50 | 45.9 Ų | 45.9 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -73.2 | -35 | 175.8 | -70.7 | -177.4 | 0 | 0 | 0 | 114.3 | F451 I453 W924 L925 V926 P931 | F451-L928 HydrophobicContact CZ-CB 4.32Å; I453-L928 HydrophobicContact CD1-CD1 3.8Å; W924-L928 HydrophobicContact CD2-CD1 4.29Å; W924-L928 HydrophobicContact CE3-CD1 4.11Å; W924-L928 HydrophobicContact CH2-CD1 3.44Å; W924-L928 VanDerWaalsContact CH2-CD1 3.44Å; W924-L928 HydrophobicContact CZ2-CD1 3.61Å; W924-L928 HydrophobicContact CZ2-CG 4.37Å; W924-L928 HydrophobicContact CZ3-CD1 3.71Å; W924-L928 PolarHBondContact O-N 2.91Å; L925-L928 PolarHBondContact O-N 3.28Å; V926-L928 VanDerWaalsContact C-N 3.34Å; V926-L928 PolarHBondContact O-N 3.36Å; L928-P931 VanDerWaalsContact O-CD 3.27Å; L928-P931 WeakPolarHBondContact O-CD 3.19Å |
| 929 | L | 88.9 | Confident | 83.4 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -87.7 | -16.5 | -172.8 | -67.5 | 168.2 | 0 | 0 | 0 | 114.1 | L440 I444 F451 L458 L462 L490 L493 L925 V926 P931 I932 R933 | L440-L929 HydrophobicContact CD2-CD1 4.25Å; L440-L929 HydrophobicContact CD2-CD2 4.46Å; I444-L929 HydrophobicContact CD1-CD2 3.65Å; F451-L929 HydrophobicContact CE2-CD2 4.48Å; F451-L929 HydrophobicContact CZ-CD2 3.96Å; L458-L929 HydrophobicContact CD1-CD2 4.47Å; L458-L929 HydrophobicContact CD2-CD2 4.26Å; L462-L929 HydrophobicContact CD1-CD1 4.47Å; L462-L929 HydrophobicContact CD2-CD1 3.88Å; L490-L929 HydrophobicContact CD2-CD1 4.5Å; L493-L929 HydrophobicContact CD1-CB 3.81Å; L493-L929 HydrophobicContact CD2-CB 4.31Å; L493-L929 HydrophobicContact CD2-CD1 4.23Å; L925-L929 WeakPolarHBondContact O-CB 3.34Å; L925-L929 WeakPolarHBondContact O-CG 3.46Å; L925-L929 PolarHBondContact O-N 3.06Å; V926-L929 PolarHBondContact O-N 3.45Å; L929-P931 VanDerWaalsContact C-CD 3.42Å; L929-I932 HydrophobicContact CD2-CD1 4.1Å; L929-I932 PolarHBondContact O-N 2.95Å; L929-R933 PolarHBondContact O-N 2.86Å |
| 930 | N | 82.2 | Confident | 83.1 | Confident | 64 Ų | 64 | 47.3 Ų | 47.3 | 34% | 0.342 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.4 | -33.2 | 179.6 | -95.5 | -53.1 | 0 | 0 | 0 | 116.5 | V926 R933 | V926-N930 WeakPolarHBondContact CG1-ND2 3.06Å; V926-N930 PolarHBondContact O-N 3.46Å; V926-N930 VanDerWaalsContact O-N 3.15Å; V926-N930 PolarHBondContact O-ND2 3.26Å; N930-R933 WeakPolarHBondContact O-CB 3.36Å; N930-R933 PolarHBondContact OD1-NE 2.67Å; N930-R933 VanDerWaalsContact OD1-NE 3.12Å |
| 931 | P | 77.6 | Confident | 82.7 | Confident | 85 Ų | 85 | 44.3 Ų | 44.3 | 55% | 0.552 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -65.8 | -43.8 | 173.2 | -22.2 | 35 | 0 | 0 | 0 | 112.6 | L928 L929 R933 A934 | L928-P931 VanDerWaalsContact O-CD 3.27Å; L928-P931 WeakPolarHBondContact O-CD 3.19Å; L929-P931 VanDerWaalsContact C-CD 3.42Å; P931-R933 VanDerWaalsContact C-N 3.33Å; P931-R933 PolarHBondContact O-N 3.07Å; P931-A934 WeakPolarHBondContact O-CB 3.17Å; P931-A934 PolarHBondContact O-N 3.42Å |
| 932 | I | 80.9 | Confident | 81.7 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 179 | -66.6 | 147.1 | 0 | 0 | 0 | 110.8 | L440 Y443 I444 F448 F451 L929 A934 N935 L936 | L440-I932 HydrophobicContact CD1-CG2 4.39Å; Y443-I932 HydrophobicContact CD1-CG2 3.96Å; Y443-I932 HydrophobicContact CE1-CG2 3.93Å; I444-I932 HydrophobicContact CD1-CD1 3.87Å; I444-I932 HydrophobicContact CD1-CG2 4.44Å; I444-I932 HydrophobicContact CG1-CD1 3.87Å; I444-I932 HydrophobicContact CG1-CG1 4.43Å; I444-I932 HydrophobicContact CG1-CG2 3.92Å; F448-I932 HydrophobicContact CD1-CG1 4.27Å; F448-I932 HydrophobicContact CD2-CG1 4.03Å; F448-I932 HydrophobicContact CD2-CG2 4.36Å; F448-I932 HydrophobicContact CE1-CG1 4.2Å; F448-I932 HydrophobicContact CE2-CB 4.35Å; F448-I932 HydrophobicContact CE2-CG1 3.97Å; F448-I932 HydrophobicContact CE2-CG2 4Å; F448-I932 HydrophobicContact CG-CG1 4.19Å; F448-I932 HydrophobicContact CZ-CB 4.49Å; F448-I932 HydrophobicContact CZ-CG1 4.04Å; F451-I932 HydrophobicContact CD2-CD1 3.61Å; F451-I932 HydrophobicContact CE2-CD1 3.44Å; F451-I932 VanDerWaalsContact CE2-CD1 3.44Å; F451-I932 HydrophobicContact CZ-CD1 4.27Å; L929-I932 HydrophobicContact CD2-CD1 4.1Å; L929-I932 PolarHBondContact O-N 2.95Å; I932-A934 PolarHBondContact O-N 2.75Å; I932-A934 VanDerWaalsContact O-N 3.12Å; I932-N935 PolarHBondContact O-N 3.17Å; I932-L936 PolarHBondContact O-N 3.45Å; I932-L936 VanDerWaalsContact O-N 3.08Å |
| 933 | R | 80.9 | Confident | 80.3 | Confident | 51 Ų | 51 | 52.1 Ų | 52.1 | 19% | 0.192 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -49.7 | -36.2 | 175.4 | -167.2 | -176 | 75.1 | 91.7 | 9.3 | 112.7 | E496 L929 N930 P931 C937 | E496-R933 IonicContact OE1-NH1 2.63Å; E496-R933 PolarHBondContact OE1-NH1 3.47Å; E496-R933 WeakPolarHBondContact OE2-CD 3.35Å; E496-R933 IonicContact OE2-CZ 3.83Å; E496-R933 IonicContact OE2-NE 3.29Å; E496-R933 IonicContact OE2-NH1 2.77Å; E496-R933 PolarHBondContact OE2-NH1 2.91Å; L929-R933 PolarHBondContact O-N 2.86Å; N930-R933 WeakPolarHBondContact O-CB 3.36Å; N930-R933 PolarHBondContact OD1-NE 2.67Å; N930-R933 VanDerWaalsContact OD1-NE 3.12Å; P931-R933 VanDerWaalsContact C-N 3.33Å; P931-R933 PolarHBondContact O-N 3.07Å; R933-C937 VanDerWaalsContact O-CB 3.26Å; R933-C937 WeakPolarHBondContact O-CB 3.46Å; R933-C937 PolarHBondContact O-N 3.05Å; R933-C937 PolarHBondContact O-SG 3.46Å |
| 934 | A | 69.4 | Low | 79.3 | Confident | 64 Ų | 64 | 49 Ų | 49 | 53% | 0.529 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -71.2 | -30.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P931 I932 | P931-A934 WeakPolarHBondContact O-CB 3.17Å; P931-A934 PolarHBondContact O-N 3.42Å; I932-A934 PolarHBondContact O-N 2.75Å; I932-A934 VanDerWaalsContact O-N 3.12Å |
| 935 | N | 75.5 | Confident | 77.8 | Confident | 91 Ų | 91 | 49.2 Ų | 49.2 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -89.3 | -30.8 | 179.7 | -70.3 | 5.2 | 0 | 0 | 0 | 112.3 | F448 I932 K938 | F448-N935 HydrophobicContact CZ-CB 4.33Å; I932-N935 PolarHBondContact O-N 3.17Å; N935-K938 WeakPolarHBondContact O-CG 3.47Å |
| 936 | L | 81.7 | Confident | 76.5 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -75.5 | -50.7 | 178 | -176.5 | 50.7 | 0 | 0 | 0 | 112 | F439 L440 Y443 V497 I932 K938 | F439-L936 HydrophobicContact CE1-CD1 3.88Å; F439-L936 HydrophobicContact CE1-CD2 4.1Å; F439-L936 HydrophobicContact CE1-CG 4.37Å; F439-L936 HydrophobicContact CZ-CD1 3.8Å; L440-L936 HydrophobicContact CD1-CD2 4.01Å; Y443-L936 HydrophobicContact CD1-CB 4.09Å; Y443-L936 HydrophobicContact CD1-CD1 3.95Å; Y443-L936 HydrophobicContact CD1-CD2 3.88Å; Y443-L936 HydrophobicContact CD1-CG 4.2Å; Y443-L936 HydrophobicContact CD2-CD1 3.82Å; Y443-L936 HydrophobicContact CE1-CB 3.65Å; Y443-L936 HydrophobicContact CE1-CD1 4.02Å; Y443-L936 HydrophobicContact CE1-CD2 4.32Å; Y443-L936 HydrophobicContact CE1-CG 4.21Å; Y443-L936 HydrophobicContact CE2-CD1 3.92Å; Y443-L936 HydrophobicContact CG-CD1 3.85Å; Y443-L936 HydrophobicContact CG-CD2 4.26Å; V497-L936 HydrophobicContact CG1-CD2 4.27Å; V497-L936 HydrophobicContact CG2-CD2 4.12Å; I932-L936 PolarHBondContact O-N 3.45Å; I932-L936 VanDerWaalsContact O-N 3.08Å; L936-K938 VanDerWaalsContact C-N 3.28Å; L936-K938 PolarHBondContact O-N 3.09Å |
| 937 | C | 82.5 | Confident | 75.2 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | trans | -87.9 | 53.3 | -169 | -50.1 | 0 | 0 | 0 | 0 | 112.7 | S500 R933 F939 S940 | S500-C937 WeakPolarHBondContact OG-CA 3.45Å; S500-C937 WeakPolarHBondContact OG-CB 3.25Å; S500-C937 PolarHBondContact OG-SG 2.97Å; R933-C937 VanDerWaalsContact O-CB 3.26Å; R933-C937 WeakPolarHBondContact O-CB 3.46Å; R933-C937 PolarHBondContact O-N 3.05Å; R933-C937 PolarHBondContact O-SG 3.46Å; C937-F939 PolarHBondContact O-N 3.32Å; C937-S940 VanDerWaalsContact O-CB 3.31Å; C937-S940 WeakPolarHBondContact O-CB 3.11Å; C937-S940 PolarHBondContact O-N 2.91Å | ||
| 938 | K | 78.9 | Confident | 73.9 | Confident | 150 Ų | 150 | 45 Ų | 45 | 65% | 0.652 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -29.2 | -166.7 | -64.1 | 176.6 | -176.4 | 169.8 | 0 | 115.9 | N935 L936 | N935-K938 WeakPolarHBondContact O-CG 3.47Å; L936-K938 VanDerWaalsContact C-N 3.28Å; L936-K938 PolarHBondContact O-N 3.09Å |
| 939 | F | 84 | Confident | 72.6 | Confident | 46 Ų | 46 | 45.3 Ų | 45.3 | 20% | 0.202 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -5.1 | 180 | -57 | -72.4 | 0 | 0 | 0 | 114 | E503 I510 Y516 R518 C937 | E503-F939 HydrophobicContact CB-CD2 3.96Å; E503-F939 HydrophobicContact CB-CE2 4.26Å; E503-F939 HydrophobicContact CG-CD2 4.17Å; I510-F939 HydrophobicContact CG2-CE1 3.8Å; I510-F939 HydrophobicContact CG2-CE2 4.27Å; I510-F939 HydrophobicContact CG2-CZ 3.65Å; Y516-F939 HydrophobicContact CD1-CB 4Å; Y516-F939 AromaticContact CD1-CD1 3.8Å; Y516-F939 HydrophobicContact CD1-CD1 3.8Å; Y516-F939 HydrophobicContact CD1-CD2 4.44Å; Y516-F939 HydrophobicContact CD1-CE1 4.38Å; Y516-F939 AromaticContact CD1-CG 3.83Å; Y516-F939 HydrophobicContact CD1-CG 3.83Å; Y516-F939 HydrophobicContact CE1-CB 4.07Å; Y516-F939 HydrophobicContact CE1-CD2 4.41Å; Y516-F939 HydrophobicContact CE1-CG 4.09Å; R518-F939 PolarHBondContact N-O 3.16Å; C937-F939 PolarHBondContact O-N 3.32Å |
| 940 | S | 82 | Confident | 71 | Confident | 21 Ų | 21 | 50.8 Ų | 50.8 | 15% | 0.147 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -76.6 | 131.3 | -175.7 | -166.4 | 0 | 0 | 0 | 0 | 112.8 | E496 R518 C937 | E496-S940 PolarHBondContact OE1-OG 3.45Å; R518-S940 CarbonylContact O-C 3.55Å; R518-S940 WeakPolarHBondContact O-CA 3.22Å; C937-S940 VanDerWaalsContact O-CB 3.31Å; C937-S940 WeakPolarHBondContact O-CB 3.11Å; C937-S940 PolarHBondContact O-N 2.91Å |
| 941 | L | 75.8 | Confident | 69.8 | Low | 6 Ų | 6 | 48.8 Ų | 48.8 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | trans | -93 | 131.3 | 172.4 | -61.4 | 169.1 | 0 | 0 | 0 | 109.2 | R517 R518 Y519 F561 E946 L947 | R517-L941 HydrophobicContact CB-CD1 3.93Å; R517-L941 HydrophobicContact CB-CD2 4.25Å; R517-L941 HydrophobicContact CB-CG 4.08Å; R517-L941 HydrophobicContact CG-CD2 4.27Å; R518-L941 WeakPolarHBondContact O-CB 2.98Å; R518-L941 WeakPolarHBondContact O-CG 3.33Å; R518-L941 PolarHBondContact O-N 3.22Å; Y519-L941 WeakPolarHBondContact CD2-O 3.26Å; F561-L941 HydrophobicContact CE1-CD1 4.29Å; L941-E946 HydrophobicContact CD2-CB 4.36Å; L941-E946 HydrophobicContact CD2-CG 4.27Å; L941-L947 HydrophobicContact CD1-CB 4.02Å; L941-L947 HydrophobicContact CD1-CD1 4.43Å; L941-L947 HydrophobicContact CD1-CD2 4.34Å; L941-L947 HydrophobicContact CD1-CG 4.49Å; L941-L947 HydrophobicContact CD2-CB 4.17Å | ||
| 942 | K | 67.3 | Low | 68.5 | Low | 126 Ų | 126 | 47 Ų | 47 | 55% | 0.548 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -74.5 | -37.7 | 177 | -61.9 | 168.8 | -160.7 | 67.5 | 0 | 112.5 | E946 | K942-E946 WeakPolarHBondContact CB-OE2 3.45Å; K942-E946 VanDerWaalsContact CG-OE2 3.29Å; K942-E946 WeakPolarHBondContact CG-OE2 3.24Å; K942-E946 PolarHBondContact N-OE2 3.1Å; K942-E946 VanDerWaalsContact NZ-CD 3.29Å; K942-E946 IonicContact NZ-OE1 3.9Å; K942-E946 PolarHBondContact NZ-OE1 2.94Å; K942-E946 IonicContact NZ-OE2 3.31Å; K942-E946 PolarHBondContact NZ-OE2 3.32Å |
| 943 | D | 60.4 | Low | 66.8 | Low | 39 Ų | 39 | 51.7 Ų | 51.7 | 21% | 0.209 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -157.7 | 175 | 173.7 | 74.9 | 23.7 | 0 | 0 | 0 | 112.1 | R585 F945 E946 | R585-D943 IonicContact CZ-OD2 3.39Å; R585-D943 IonicContact NH1-OD1 3.47Å; R585-D943 IonicContact NH1-OD2 2.65Å; R585-D943 PolarHBondContact NH1-OD2 3.18Å; R585-D943 IonicContact NH2-OD2 3.84Å; R585-D943 PolarHBondContact NH2-OD2 2.72Å; D943-F945 PolarHBondContact O-N 3.04Å; D943-F945 WeakPolarHBondContact OD1-CA 3.34Å; D943-F945 VanDerWaalsContact OD1-CB 3.26Å; D943-F945 WeakPolarHBondContact OD1-CB 3.29Å; D943-F945 WeakPolarHBondContact OD1-CD2 3.33Å; D943-F945 PolarHBondContact OD1-N 3.46Å; D943-E946 PolarHBondContact O-N 3.23Å; D943-E946 PolarHBondContact OD1-N 3.33Å |
| 944 | T | 60.1 | Low | 65 | Low | 20 Ų | 20 | 53.6 Ų | 53.6 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -16 | 178.6 | -46.6 | 0 | 0 | 0 | 0 | 115.3 | I564 I948 | I564-T944 HydrophobicContact CD1-CG2 3.55Å; I564-T944 HydrophobicContact CG1-CG2 3.44Å; I564-T944 VanDerWaalsContact CG1-CG2 3.44Å; T944-I948 WeakPolarHBondContact O-CD1 3.36Å; T944-I948 WeakPolarHBondContact O-CG1 3.39Å |
| 945 | F | 59.3 | Low | 64.2 | Low | 21 Ų | 21 | 55 Ų | 55 | 9% | 0.092 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -29.3 | -179.1 | -59.2 | -91.5 | 0 | 0 | 0 | 112.8 | C582 R585 V663 D943 L947 I948 D949 | C582-F945 HydrophobicContact CB-CE1 4.37Å; C582-F945 HydrophobicContact CB-CZ 3.91Å; R585-F945 HydrophobicContact CB-CZ 4.4Å; R585-F945 HydrophobicContact CG-CE2 4.38Å; R585-F945 HydrophobicContact CG-CZ 4.24Å; V663-F945 HydrophobicContact CG1-CE1 4.42Å; V663-F945 HydrophobicContact CG2-CD1 3.67Å; V663-F945 HydrophobicContact CG2-CE1 4.08Å; D943-F945 PolarHBondContact O-N 3.04Å; D943-F945 WeakPolarHBondContact OD1-CA 3.34Å; D943-F945 VanDerWaalsContact OD1-CB 3.26Å; D943-F945 WeakPolarHBondContact OD1-CB 3.29Å; D943-F945 WeakPolarHBondContact OD1-CD2 3.33Å; D943-F945 PolarHBondContact OD1-N 3.46Å; F945-L947 VanDerWaalsContact C-N 3.28Å; F945-L947 PolarHBondContact O-N 3.09Å; F945-I948 WeakPolarHBondContact O-CA 3.48Å; F945-I948 WeakPolarHBondContact O-CB 3.24Å; F945-I948 PolarHBondContact O-N 3.36Å; F945-D949 PolarHBondContact O-N 3.36Å; F945-D949 VanDerWaalsContact O-N 3.08Å |
| 946 | E | 62.3 | Low | 63.2 | Low | 70 Ų | 70 | 50.8 Ų | 50.8 | 33% | 0.327 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 176.5 | -171.3 | 155.5 | -132.7 | 0 | 0 | 111.3 | L941 K942 D943 I948 D949 F950 | L941-E946 HydrophobicContact CD2-CB 4.36Å; L941-E946 HydrophobicContact CD2-CG 4.27Å; K942-E946 WeakPolarHBondContact CB-OE2 3.45Å; K942-E946 VanDerWaalsContact CG-OE2 3.29Å; K942-E946 WeakPolarHBondContact CG-OE2 3.24Å; K942-E946 PolarHBondContact N-OE2 3.1Å; K942-E946 VanDerWaalsContact NZ-CD 3.29Å; K942-E946 IonicContact NZ-OE1 3.9Å; K942-E946 PolarHBondContact NZ-OE1 2.94Å; K942-E946 IonicContact NZ-OE2 3.31Å; K942-E946 PolarHBondContact NZ-OE2 3.32Å; D943-E946 PolarHBondContact O-N 3.23Å; D943-E946 PolarHBondContact OD1-N 3.33Å; E946-I948 VanDerWaalsContact C-N 3.25Å; E946-I948 PolarHBondContact O-N 2.91Å; E946-D949 PolarHBondContact O-N 2.86Å; E946-F950 PolarHBondContact O-N 3.12Å; E946-F950 VanDerWaalsContact O-N 3.16Å |
| 947 | L | 60.4 | Low | 61.9 | Low | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.7 | -25.9 | 171.4 | 179.3 | 60.3 | 0 | 0 | 0 | 113.9 | L524 F561 I564 L941 F945 L951 | L524-L947 HydrophobicContact CD2-CD1 3.93Å; L524-L947 HydrophobicContact CD2-CD2 3.93Å; F561-L947 HydrophobicContact CD1-CD2 3.72Å; F561-L947 HydrophobicContact CE1-CD2 3.79Å; I564-L947 HydrophobicContact CD1-CD2 4.48Å; L941-L947 HydrophobicContact CD1-CB 4.02Å; L941-L947 HydrophobicContact CD1-CD1 4.43Å; L941-L947 HydrophobicContact CD1-CD2 4.34Å; L941-L947 HydrophobicContact CD1-CG 4.49Å; L941-L947 HydrophobicContact CD2-CB 4.17Å; F945-L947 VanDerWaalsContact C-N 3.28Å; F945-L947 PolarHBondContact O-N 3.09Å; L947-L951 WeakPolarHBondContact O-CD1 3.08Å |
| 948 | I | 56.7 | Low | 60.9 | Low | 16 Ų | 16 | 59.3 Ų | 59.3 | 8% | 0.082 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -82.7 | -40.1 | -179.5 | -68.7 | 171.4 | 0 | 0 | 0 | 110.9 | I564 R576 L578 T944 F945 E946 L951 | I564-I948 HydrophobicContact CD1-CD1 3.9Å; I564-I948 HydrophobicContact CD1-CG1 3.93Å; R576-I948 PolarHBondContact NH1-O 3.26Å; L578-I948 HydrophobicContact CD1-CD1 4.03Å; L578-I948 HydrophobicContact CD2-CD1 3.55Å; L578-I948 HydrophobicContact CG-CD1 3.84Å; T944-I948 WeakPolarHBondContact O-CD1 3.36Å; T944-I948 WeakPolarHBondContact O-CG1 3.39Å; F945-I948 WeakPolarHBondContact O-CA 3.48Å; F945-I948 WeakPolarHBondContact O-CB 3.24Å; F945-I948 PolarHBondContact O-N 3.36Å; E946-I948 VanDerWaalsContact C-N 3.25Å; E946-I948 PolarHBondContact O-N 2.91Å; I948-L951 PolarHBondContact O-N 2.94Å |
| 949 | D | 56.9 | Low | 60.4 | Low | 58 Ų | 58 | 54.9 Ų | 54.9 | 31% | 0.31 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -77.9 | -26.7 | -176.4 | -70.5 | -12.9 | 0 | 0 | 0 | 112.1 | C662 N666 F945 E946 L951 G952 | C662-D949 VanDerWaalsContact SG-CG 3.52Å; C662-D949 PolarHBondContact SG-OD2 3.08Å; N666-D949 PolarHBondContact ND2-OD1 2.99Å; F945-D949 PolarHBondContact O-N 3.36Å; F945-D949 VanDerWaalsContact O-N 3.08Å; E946-D949 PolarHBondContact O-N 2.86Å; D949-L951 PolarHBondContact O-N 3.2Å; D949-G952 PolarHBondContact O-N 2.87Å |
| 950 | F | 55.5 | Low | 60.1 | Low | 117 Ų | 117 | 53.2 Ų | 53.2 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -1.6 | 168.6 | -160.9 | -96.7 | 0 | 0 | 0 | 114.1 | L515 E946 | L515-F950 HydrophobicContact CD1-CD1 4.09Å; L515-F950 HydrophobicContact CD1-CE1 3.69Å; E946-F950 PolarHBondContact O-N 3.12Å; E946-F950 VanDerWaalsContact O-N 3.16Å |
| 951 | L | 57.4 | Low | 60.1 | Low | 22 Ų | 22 | 52.2 Ų | 52.2 | 12% | 0.115 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.6 | 35.1 | -175.9 | -57.8 | 171.2 | 0 | 0 | 0 | 111.2 | I412 R576 L947 I948 D949 | I412-L951 HydrophobicContact CD1-CD2 3.77Å; R576-L951 VanDerWaalsContact CZ-CB 3.44Å; R576-L951 VanDerWaalsContact NH1-CB 3.34Å; R576-L951 PolarHBondContact NH1-O 2.85Å; R576-L951 PolarHBondContact NH2-O 2.97Å; L947-L951 WeakPolarHBondContact O-CD1 3.08Å; I948-L951 PolarHBondContact O-N 2.94Å; D949-L951 PolarHBondContact O-N 3.2Å |
| 952 | G | 49.8 | Very low | 60.7 | Low | 47 Ų | 47 | 53.7 Ų | 53.7 | 49% | 0.485 | 28% | 0.275 | S | S | . | . | trans | -108.1 | -179.3 | -164.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | D949 | D949-G952 PolarHBondContact O-N 2.87Š| ||
| 953 | D | 46.5 | Very low | 61.7 | Low | 103 Ų | 103 | 48 Ų | 48 | 55% | 0.551 | 25% | 0.251 | S | S | * | . | trans | -84.9 | 156.6 | -175.7 | -89.8 | -51.5 | 0 | 0 | 0 | 114.7 | ||||
| 954 | I | 42.7 | Very low | 63.1 | Low | 92 Ų | 92 | 46.2 Ų | 46.2 | 47% | 0.472 | 24% | 0.241 | S | C | . | . | trans | -81.3 | 138.5 | 173.2 | -57.9 | 174.8 | 0 | 0 | 0 | 112.4 | L409 I956 | L409-I954 HydrophobicContact CD2-CD1 4.46Å; I954-I956 HydrophobicContact CG2-CG2 4.45Å | ||
| 955 | N | 51.5 | Low | 64.3 | Low | 93 Ų | 93 | 47.5 Ų | 47.5 | 50% | 0.497 | 25% | 0.248 | S | C | . | . | trans | -123.6 | 136.1 | 179.2 | 175.2 | 15.3 | 0 | 0 | 0 | 112 | K957 G1114 | N955-K957 WeakPolarHBondContact OD1-CB 3.25Å; N955-K957 PolarHBondContact OD1-N 2.8Å; N955-G1114 PolarHBondContact OD1-O 2.8Å | ||
| 956 | I | 55.4 | Low | 65.4 | Low | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | trans | -123.4 | 14.6 | -176.5 | 71.6 | 152 | 0 | 0 | 0 | 114.4 | I954 D958 K959 L961 I1068 R1110 G1114 I1116 | I954-I956 HydrophobicContact CG2-CG2 4.45Å; I956-D958 VanDerWaalsContact C-N 3.29Å; I956-D958 PolarHBondContact O-N 3.48Å; I956-D958 VanDerWaalsContact O-N 3.11Å; I956-K959 HydrophobicContact CB-CB 4.24Å; I956-K959 WeakPolarHBondContact O-CB 3.5Å; I956-K959 PolarHBondContact O-N 2.74Å; I956-L961 HydrophobicContact CD1-CD1 3.63Å; I956-L961 HydrophobicContact CD1-CD2 4.31Å; I956-L961 HydrophobicContact CD1-CG 3.88Å; I956-I1068 HydrophobicContact CB-CG2 4.16Å; I956-I1068 HydrophobicContact CG2-CD1 4.07Å; I956-I1068 HydrophobicContact CG2-CG2 3.79Å; I956-R1110 PolarHBondContact O-NH1 3.24Å; I956-G1114 WeakPolarHBondContact CG1-O 3.13Å; I956-G1114 PolarHBondContact N-O 3.11Å; I956-I1116 HydrophobicContact CD1-CD1 4.01Å; I956-I1116 HydrophobicContact CD1-CG1 3.61Å; I956-I1116 HydrophobicContact CG1-CG1 4.06Å; I956-I1116 HydrophobicContact CG2-CD1 4.48Å | ||
| 957 | K | 54.5 | Low | 66.3 | Low | 109 Ų | 109 | 46.6 Ų | 46.6 | 47% | 0.474 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.3 | -49 | -171.8 | -178.6 | -177.2 | 153.8 | -69.6 | 0 | 114.4 | N955 | N955-K957 WeakPolarHBondContact OD1-CB 3.25Å; N955-K957 PolarHBondContact OD1-N 2.8Å |
| 958 | D | 61.4 | Low | 67.2 | Low | 81 Ų | 81 | 50.4 Ų | 50.4 | 43% | 0.433 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 12 | -173.2 | -57.2 | -60.1 | 0 | 0 | 0 | 113 | I956 K1071 | I956-D958 VanDerWaalsContact C-N 3.29Å; I956-D958 PolarHBondContact O-N 3.48Å; I956-D958 VanDerWaalsContact O-N 3.11Å; D958-K1071 VanDerWaalsContact O-CD 3.31Å; D958-K1071 WeakPolarHBondContact O-CD 3.01Å; D958-K1071 WeakPolarHBondContact O-CE 3.38Å; D958-K1071 VanDerWaalsContact O-CG 3.27Å; D958-K1071 WeakPolarHBondContact O-CG 2.97Å; D958-K1071 IonicContact OD1-NZ 3.78Å |
| 959 | K | 68 | Low | 68.6 | Low | 58 Ų | 58 | 49.7 Ų | 49.7 | 25% | 0.252 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 148.5 | -177.6 | -59.9 | -168.8 | 174.7 | -168 | 0 | 110 | I956 T1056 I1068 C1069 R1110 | I956-K959 HydrophobicContact CB-CB 4.24Å; I956-K959 WeakPolarHBondContact O-CB 3.5Å; I956-K959 PolarHBondContact O-N 2.74Å; K959-T1056 HydrophobicContact CD-CG2 3.71Å; K959-T1056 WeakPolarHBondContact CD-OG1 3.37Å; K959-T1056 WeakPolarHBondContact CE-OG1 3.3Å; K959-T1056 VanDerWaalsContact NZ-CG2 3.26Å; K959-T1056 PolarHBondContact NZ-OG1 3Å; K959-I1068 HydrophobicContact CB-CG2 4.01Å; K959-C1069 CarbonylContact C-O 3.45Å; K959-C1069 WeakPolarHBondContact CA-O 3.47Å; K959-C1069 WeakPolarHBondContact CB-O 3.36Å; K959-R1110 PolarHBondContact O-NH1 2.88Å; K959-R1110 PolarHBondContact O-NH2 2.99Å |
| 960 | S | 77.3 | Confident | 70 | Confident | 11 Ų | 11 | 48 Ų | 48 | 8% | 0.077 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 157.7 | 179 | 62.6 | 0 | 0 | 0 | 0 | 111.9 | H962 I1068 C1069 D1070 | S960-H962 WeakPolarHBondContact CB-NE2 3.36Å; S960-H962 PolarHBondContact OG-NE2 2.95Å; S960-I1068 WeakPolarHBondContact O-CA 3.01Å; S960-C1069 PolarHBondContact N-O 3.37Å; S960-C1069 PolarHBondContact O-N 3.14Å; S960-C1069 PolarHBondContact OG-SG 2.79Å; S960-D1070 PolarHBondContact OG-O 3.06Å |
| 961 | L | 81.8 | Confident | 71.3 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129 | 177.2 | -85.5 | 162.3 | 0 | 0 | 0 | 109.8 | I956 L1066 I1068 E1096 L1101 | I956-L961 HydrophobicContact CD1-CD1 3.63Å; I956-L961 HydrophobicContact CD1-CD2 4.31Å; I956-L961 HydrophobicContact CD1-CG 3.88Å; L961-L1066 HydrophobicContact CD2-CD1 4.23Å; L961-I1068 HydrophobicContact CD2-CD1 4.01Å; L961-I1068 HydrophobicContact CD2-CG1 3.88Å; L961-E1096 HydrophobicContact CB-CB 3.92Å; L961-E1096 HydrophobicContact CB-CG 4.25Å; L961-E1096 PolarHBondContact N-OE1 3.45Å; L961-E1096 WeakPolarHBondContact O-CB 2.97Å; L961-E1096 PolarHBondContact O-N 3.34Å; L961-L1101 HydrophobicContact CB-CD2 4.42Å |
| 962 | H | 88.6 | Confident | 72.6 | Confident | 36 Ų | 36 | 44 Ų | 44 | 17% | 0.167 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 151.1 | 177.8 | -52.6 | -91.5 | 0 | 0 | 0 | 110.2 | S960 I1067 V1075 H1093 | S960-H962 WeakPolarHBondContact CB-NE2 3.36Å; S960-H962 PolarHBondContact OG-NE2 2.95Å; H962-I1067 PolarHBondContact N-O 3.23Å; H962-I1067 PolarHBondContact O-N 3.24Å; H962-V1075 HydrophobicContact CB-CG1 4.46Å; H962-H1093 AromaticContact CG-NE2 3.69Å; H962-H1093 AromaticContact ND1-CE1 3.77Å; H962-H1093 AromaticContact ND1-NE2 2.98Å; H962-H1093 PolarHBondContact ND1-NE2 3.2Å |
| 963 | S | 89 | Confident | 74.4 | Confident | 7 Ų | 7 | 41.8 Ų | 41.8 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 146.3 | 161.6 | 42.1 | 0 | 0 | 0 | 0 | 111.3 | I1065 E1094 L1101 | S963-I1065 CarbonylContact C-O 3.55Å; S963-I1065 WeakPolarHBondContact CA-O 3.26Å; S963-I1065 VanDerWaalsContact CB-O 3.27Å; S963-I1065 WeakPolarHBondContact CB-O 3.25Å; S963-E1094 PolarHBondContact N-O 2.95Å; S963-E1094 PolarHBondContact O-N 3.19Å; S963-L1101 WeakPolarHBondContact OG-CD1 3.31Å |
| 964 | F | 90 | Very high | 76.4 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 144.7 | 164.6 | -54.3 | -30.4 | 0 | 0 | 0 | 109.3 | I1065 I1067 V1075 L1079 L1082 M1091 T1092 H1093 | F964-I1065 HydrophobicContact CB-CB 4.13Å; F964-I1065 HydrophobicContact CB-CD1 4.23Å; F964-I1065 HydrophobicContact CB-CG1 4.37Å; F964-I1065 HydrophobicContact CD2-CD1 4.42Å; F964-I1065 PolarHBondContact N-O 2.95Å; F964-I1065 PolarHBondContact O-N 3.13Å; F964-I1067 HydrophobicContact CD2-CD1 3.66Å; F964-I1067 HydrophobicContact CE2-CD1 3.29Å; F964-I1067 HydrophobicContact CG-CD1 4.43Å; F964-I1067 HydrophobicContact CZ-CD1 3.81Å; F964-V1075 HydrophobicContact CE1-CG1 3.83Å; F964-V1075 HydrophobicContact CZ-CG1 3.68Å; F964-L1079 HydrophobicContact CD1-CD1 4.03Å; F964-L1079 HydrophobicContact CD2-CD1 4.15Å; F964-L1079 HydrophobicContact CE1-CB 4.33Å; F964-L1079 HydrophobicContact CE1-CD1 3.9Å; F964-L1079 HydrophobicContact CE2-CB 4.34Å; F964-L1079 HydrophobicContact CE2-CD1 4.02Å; F964-L1079 HydrophobicContact CG-CD1 4.16Å; F964-L1079 HydrophobicContact CZ-CB 3.84Å; F964-L1079 HydrophobicContact CZ-CD1 3.9Å; F964-L1079 HydrophobicContact CZ-CG 4.4Å; F964-L1082 HydrophobicContact CD2-CD1 4.01Å; F964-L1082 HydrophobicContact CE2-CD1 3.69Å; F964-M1091 HydrophobicContact CB-CB 4.32Å; F964-M1091 HydrophobicContact CD2-SD 4.25Å; F964-T1092 WeakPolarHBondContact CA-O 3.28Å; F964-T1092 WeakPolarHBondContact CB-O 3.11Å; F964-H1093 HydrophobicContact CD1-CB 3.95Å; F964-H1093 AromaticContact CD1-CD2 3.73Å; F964-H1093 HydrophobicContact CE1-CB 4.04Å; F964-H1093 AromaticContact CE1-CD2 3.48Å; F964-H1093 VanDerWaalsContact CE1-CD2 3.48Å; F964-H1093 WeakPolarHBondContact CE1-CD2 3.36Å; F964-H1093 AromaticContact CE1-CG 3.85Å |
| 965 | D | 84.5 | Confident | 78.6 | Confident | 48 Ų | 48 | 33.7 Ų | 33.7 | 26% | 0.257 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 126.9 | 171.4 | 176.3 | 29.2 | 0 | 0 | 0 | 108.9 | N967 T1092 | D965-N967 PolarHBondContact O-N 3.25Å; D965-T1092 PolarHBondContact N-O 3.42Å; D965-T1092 VanDerWaalsContact N-O 3.17Å; D965-T1092 PolarHBondContact O-N 3.44Å; D965-T1092 PolarHBondContact O-OG1 3.16Å |
| 966 | V | 84.2 | Confident | 80.3 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 112.2 | -176.8 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | S968 L969 M1041 D1063 I1065 I1089 M1091 | V966-S968 PolarHBondContact O-N 2.71Å; V966-L969 HydrophobicContact CB-CB 4.08Å; V966-L969 HydrophobicContact CG1-CB 3.78Å; V966-L969 HydrophobicContact CG1-CD1 4Å; V966-L969 HydrophobicContact CG1-CG 4.42Å; V966-L969 PolarHBondContact O-N 3.48Å; V966-M1041 HydrophobicContact CG2-CE 3.96Å; V966-M1041 HydrophobicContact CG2-SD 4.16Å; V966-D1063 HydrophobicContact CB-CB 4.37Å; V966-D1063 PolarHBondContact N-O 2.82Å; V966-I1065 HydrophobicContact CG2-CD1 4.42Å; V966-I1089 HydrophobicContact CG1-CG2 3.91Å; V966-M1091 HydrophobicContact CG2-CE 4.45Å; V966-M1091 HydrophobicContact CG2-CG 4.16Å; V966-M1091 HydrophobicContact CG2-SD 4.43Å |
| 967 | N | 80.9 | Confident | 81.9 | Confident | 69 Ų | 69 | 37.6 Ų | 37.6 | 37% | 0.369 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 114.4 | 178.6 | -74.5 | -53 | 0 | 0 | 0 | 111.4 | D965 L969 V1090 T1092 | D965-N967 PolarHBondContact O-N 3.25Å; N967-L969 VanDerWaalsContact C-N 3.25Å; N967-L969 PolarHBondContact O-N 3.49Å; N967-V1090 WeakPolarHBondContact CB-O 3.43Å; N967-V1090 PolarHBondContact N-O 3.22Å; N967-V1090 VanDerWaalsContact N-O 3.12Å; N967-V1090 PolarHBondContact ND2-O 2.83Å; N967-T1092 VanDerWaalsContact ND2-CG2 3.31Å; N967-T1092 WeakPolarHBondContact ND2-CG2 3.31Å |
| 968 | S | 77.8 | Confident | 83.7 | Confident | 86 Ų | 86 | 32.4 Ų | 32.4 | 60% | 0.601 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 32.8 | 173.7 | -58.3 | 0 | 0 | 0 | 0 | 115.3 | V966 F970 T971 | V966-S968 PolarHBondContact O-N 2.71Å; S968-F970 VanDerWaalsContact C-N 3.29Å; S968-F970 PolarHBondContact O-N 2.99Å; S968-T971 PolarHBondContact O-N 2.81Å; S968-T971 PolarHBondContact O-OG1 3.36Å |
| 969 | L | 86.1 | Confident | 85.1 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -27.7 | -58.5 | -176.5 | 174.6 | 57.7 | 0 | 0 | 0 | 114.9 | V966 N967 T971 N972 V973 A1037 M1041 M1062 D1063 I1089 | V966-L969 HydrophobicContact CB-CB 4.08Å; V966-L969 HydrophobicContact CG1-CB 3.78Å; V966-L969 HydrophobicContact CG1-CD1 4Å; V966-L969 HydrophobicContact CG1-CG 4.42Å; V966-L969 PolarHBondContact O-N 3.48Å; N967-L969 VanDerWaalsContact C-N 3.25Å; N967-L969 PolarHBondContact O-N 3.49Å; L969-T971 PolarHBondContact O-N 2.92Å; L969-N972 CarbonylContact O-C 3.55Å; L969-N972 PolarHBondContact O-N 2.85Å; L969-V973 HydrophobicContact CD1-CG2 4.24Å; L969-V973 WeakPolarHBondContact O-CG2 3.29Å; L969-V973 PolarHBondContact O-N 3.39Å; L969-A1037 HydrophobicContact CD2-CB 4.1Å; L969-A1037 HydrophobicContact CG-CB 4.2Å; L969-M1041 HydrophobicContact CD1-CG 3.94Å; L969-M1041 HydrophobicContact CD1-SD 3.98Å; L969-M1041 HydrophobicContact CD2-CG 4.32Å; L969-M1062 WeakPolarHBondContact CD2-O 3.34Å; L969-D1063 HydrophobicContact CB-CB 4.24Å; L969-D1063 HydrophobicContact CD2-CB 4.05Å; L969-I1089 HydrophobicContact CD1-CD1 4.31Å |
| 970 | F | 86.8 | Confident | 86.3 | Confident | 23 Ų | 23 | 28.7 Ų | 28.7 | 10% | 0.101 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -55.7 | -43 | -175.6 | -70.1 | -93.9 | 0 | 0 | 0 | 114.3 | S968 N972 G1025 V1026 M1028 P1034 A1037 | S968-F970 VanDerWaalsContact C-N 3.29Å; S968-F970 PolarHBondContact O-N 2.99Å; F970-N972 PolarHBondContact O-N 3.16Å; F970-G1025 WeakPolarHBondContact O-CA 3.49Å; F970-V1026 HydrophobicContact CB-CG2 4.32Å; F970-V1026 HydrophobicContact CD1-CG2 4.03Å; F970-V1026 WeakPolarHBondContact O-CG2 3.15Å; F970-V1026 PolarHBondContact O-N 2.96Å; F970-M1028 HydrophobicContact CB-CG 3.47Å; F970-M1028 VanDerWaalsContact CB-CG 3.47Å; F970-M1028 HydrophobicContact CB-SD 4.26Å; F970-M1028 HydrophobicContact CD1-CG 4.27Å; F970-M1028 HydrophobicContact CD2-CE 3.86Å; F970-M1028 HydrophobicContact CD2-CG 4.15Å; F970-M1028 HydrophobicContact CD2-SD 4.39Å; F970-M1028 HydrophobicContact CE2-CE 4.26Å; F970-M1028 HydrophobicContact CG-CE 4.38Å; F970-M1028 HydrophobicContact CG-CG 3.72Å; F970-M1028 HydrophobicContact CG-SD 4.49Å; F970-P1034 HydrophobicContact CE1-CG 4.28Å; F970-A1037 HydrophobicContact CD1-CB 4.46Å; F970-A1037 HydrophobicContact CE1-CB 4.26Å |
| 971 | T | 82.5 | Confident | 87.1 | Confident | 24 Ų | 24 | 29.9 Ų | 29.9 | 15% | 0.147 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -76.2 | -11.3 | 179.4 | 51.6 | 0 | 0 | 0 | 0 | 113.1 | K303 F304 S968 L969 G1025 | K303-T971 WeakPolarHBondContact CD-O 3.32Å; K303-T971 VanDerWaalsContact CE-O 3.24Å; K303-T971 WeakPolarHBondContact CE-O 3.36Å; K303-T971 PolarHBondContact NZ-O 3.26Å; F304-T971 HydrophobicContact CZ-CG2 4.32Å; S968-T971 PolarHBondContact O-N 2.81Å; S968-T971 PolarHBondContact O-OG1 3.36Å; L969-T971 PolarHBondContact O-N 2.92Å; T971-G1025 WeakPolarHBondContact O-CA 3.44Å |
| 972 | N | 85.8 | Confident | 87.6 | Confident | 30 Ų | 30 | 30 Ų | 30 | 16% | 0.16 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -115.3 | 7.6 | -172 | -60.2 | 14.9 | 0 | 0 | 0 | 112.6 | L969 F970 P974 D1088 I1089 | L969-N972 CarbonylContact O-C 3.55Å; L969-N972 PolarHBondContact O-N 2.85Å; F970-N972 PolarHBondContact O-N 3.16Å; N972-P974 WeakPolarHBondContact O-CD 3.29Å; N972-D1088 HydrophobicContact CB-CB 4.4Å; N972-D1088 PolarHBondContact ND2-O 2.92Å; N972-I1089 HydrophobicContact CB-CD1 4.3Å; N972-I1089 HydrophobicContact CB-CG1 3.76Å; N972-I1089 VanDerWaalsContact O-CD1 3.29Å; N972-I1089 WeakPolarHBondContact O-CD1 3.19Å |
| 973 | V | 87.5 | Confident | 87.7 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -68 | 113.6 | 170.8 | 174.4 | 0 | 0 | 0 | 0 | 110 | L969 L975 T978 G1025 V1026 A1037 F1040 | L969-V973 HydrophobicContact CD1-CG2 4.24Å; L969-V973 WeakPolarHBondContact O-CG2 3.29Å; L969-V973 PolarHBondContact O-N 3.39Å; V973-L975 PolarHBondContact O-N 3.35Å; V973-T978 HydrophobicContact CG1-CG2 4.12Å; V973-T978 WeakPolarHBondContact CG1-OG1 3.39Å; V973-G1025 WeakPolarHBondContact O-CA 3.4Å; V973-V1026 HydrophobicContact CB-CG2 4.19Å; V973-V1026 HydrophobicContact CG1-CG1 4.41Å; V973-V1026 HydrophobicContact CG2-CG2 3.98Å; V973-A1037 HydrophobicContact CG2-CB 4.24Å; V973-F1040 HydrophobicContact CG1-CB 3.88Å; V973-F1040 HydrophobicContact CG1-CG 4.26Å; V973-F1040 HydrophobicContact CG2-CB 4.45Å | ||
| 974 | P | 88.8 | Confident | 87.8 | Confident | 12 Ų | 12 | 32.1 Ų | 32.1 | 8% | 0.078 | 18% | 0.176 | C | C | . | . | trans | -69.5 | 95.7 | 175 | 29.7 | -35.8 | 0 | 0 | 0 | 109.8 | N972 T976 K977 T978 F1040 Q1086 | N972-P974 WeakPolarHBondContact O-CD 3.29Å; P974-T976 PolarHBondContact O-N 2.99Å; P974-K977 HydrophobicContact CB-CB 4.28Å; P974-K977 HydrophobicContact CB-CD 4.24Å; P974-K977 HydrophobicContact CB-CG 4.4Å; P974-K977 HydrophobicContact CG-CB 4.31Å; P974-K977 HydrophobicContact CG-CD 4.33Å; P974-K977 PolarHBondContact O-N 2.76Å; P974-T978 WeakPolarHBondContact O-CB 3.43Å; P974-T978 PolarHBondContact O-N 2.88Å; P974-T978 PolarHBondContact O-OG1 3.33Å; P974-F1040 VanDerWaalsContact CD-CE2 3.43Å; P974-F1040 HydrophobicContact CG-CD2 3.65Å; P974-F1040 HydrophobicContact CG-CE2 3.3Å; P974-F1040 HydrophobicContact CG-CZ 4.08Å; P974-Q1086 HydrophobicContact CG-CG 4.15Å | ||
| 975 | L | 87.6 | Confident | 87.8 | Confident | 13 Ų | 13 | 33.7 Ų | 33.7 | 7% | 0.068 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.1 | -46.2 | -161.9 | 176.7 | 58.2 | 0 | 0 | 0 | 113.7 | V973 T978 V979 L1005 A1009 V1026 L1036 | V973-L975 PolarHBondContact O-N 3.35Å; L975-T978 WeakPolarHBondContact O-CB 3.44Å; L975-T978 PolarHBondContact O-N 2.73Å; L975-V979 HydrophobicContact CD1-CG2 4.01Å; L975-V979 WeakPolarHBondContact O-CG2 3.4Å; L975-V979 PolarHBondContact O-N 2.77Å; L975-L1005 HydrophobicContact CD2-CD2 4.28Å; L975-L1005 HydrophobicContact CG-CD2 4.05Å; L975-A1009 HydrophobicContact CD2-CB 3.69Å; L975-V1026 HydrophobicContact CD1-CG1 3.92Å; L975-L1036 HydrophobicContact CD1-CD1 3.77Å |
| 976 | T | 88.6 | Confident | 87.9 | Confident | 83 Ų | 83 | 31.6 Ų | 31.6 | 51% | 0.509 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.3 | -50.8 | 179.1 | 36.2 | 0 | 0 | 0 | 0 | 112.1 | P974 T978 V979 D980 L1005 | P974-T976 PolarHBondContact O-N 2.99Å; T976-T978 PolarHBondContact O-N 2.59Å; T976-V979 PolarHBondContact O-N 3.38Å; T976-D980 WeakPolarHBondContact O-CB 3.3Å; T976-D980 PolarHBondContact O-N 3.13Å; T976-L1005 HydrophobicContact CG2-CD2 4.3Å |
| 977 | K | 88.4 | Confident | 87.9 | Confident | 96 Ų | 96 | 34.4 Ų | 34.4 | 42% | 0.417 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -53.3 | -41.2 | 174.6 | -68 | -171.1 | 178.8 | -173.6 | 0 | 111.9 | P974 F981 | P974-K977 HydrophobicContact CB-CB 4.28Å; P974-K977 HydrophobicContact CB-CD 4.24Å; P974-K977 HydrophobicContact CB-CG 4.4Å; P974-K977 HydrophobicContact CG-CB 4.31Å; P974-K977 HydrophobicContact CG-CD 4.33Å; P974-K977 PolarHBondContact O-N 2.76Å; K977-F981 WeakPolarHBondContact O-CB 3.39Å; K977-F981 PolarHBondContact O-N 3.49Å |
| 978 | T | 91.7 | Very high | 88 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.8 | -45 | -178.8 | -55.4 | 0 | 0 | 0 | 0 | 112.3 | V973 P974 L975 T976 L982 L1036 V1039 F1040 | V973-T978 HydrophobicContact CG1-CG2 4.12Å; V973-T978 WeakPolarHBondContact CG1-OG1 3.39Å; P974-T978 WeakPolarHBondContact O-CB 3.43Å; P974-T978 PolarHBondContact O-N 2.88Å; P974-T978 PolarHBondContact O-OG1 3.33Å; L975-T978 WeakPolarHBondContact O-CB 3.44Å; L975-T978 PolarHBondContact O-N 2.73Å; T976-T978 PolarHBondContact O-N 2.59Å; T978-L982 PolarHBondContact O-N 2.65Å; T978-L1036 HydrophobicContact CG2-CB 4.33Å; T978-L1036 HydrophobicContact CG2-CD2 4.28Å; T978-L1036 WeakPolarHBondContact CG2-O 3.33Å; T978-V1039 HydrophobicContact CG2-CB 4.28Å; T978-V1039 HydrophobicContact CG2-CG1 3.85Å; T978-F1040 HydrophobicContact CG2-CB 3.78Å; T978-F1040 WeakPolarHBondContact OG1-CD2 3.44Å |
| 979 | V | 92.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.1 | -41 | 176.8 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | L975 T976 L982 C983 K1001 L1004 L1005 L1036 | L975-V979 HydrophobicContact CD1-CG2 4.01Å; L975-V979 WeakPolarHBondContact O-CG2 3.4Å; L975-V979 PolarHBondContact O-N 2.77Å; T976-V979 PolarHBondContact O-N 3.38Å; V979-L982 PolarHBondContact O-N 2.76Å; V979-C983 WeakPolarHBondContact O-CB 3.37Å; V979-C983 PolarHBondContact O-N 3.24Å; V979-K1001 HydrophobicContact CG1-CB 4.04Å; V979-K1001 HydrophobicContact CG1-CG 3.86Å; V979-L1004 HydrophobicContact CG1-CB 4.09Å; V979-L1004 HydrophobicContact CG1-CD1 3.97Å; V979-L1004 HydrophobicContact CG2-CB 4.04Å; V979-L1004 HydrophobicContact CG2-CD1 4.4Å; V979-L1005 HydrophobicContact CG1-CG 4.45Å; V979-L1005 HydrophobicContact CG2-CD2 4.18Å; V979-L1036 HydrophobicContact CG2-CD2 4.31Å |
| 980 | D | 93 | Very high | 88.3 | Confident | 60 Ų | 60 | 41.1 Ų | 41.1 | 32% | 0.321 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64 | -46.9 | 179.1 | -74.7 | -29.7 | 0 | 0 | 0 | 111.9 | T976 L982 C983 D984 K1001 | T976-D980 WeakPolarHBondContact O-CB 3.3Å; T976-D980 PolarHBondContact O-N 3.13Å; D980-L982 VanDerWaalsContact C-N 3.31Å; D980-L982 PolarHBondContact O-N 2.74Å; D980-C983 PolarHBondContact O-N 2.73Å; D980-D984 WeakPolarHBondContact O-CB 3.37Å; D980-D984 PolarHBondContact O-N 3.14Å; D980-K1001 VanDerWaalsContact CG-NZ 3.27Å; D980-K1001 VanDerWaalsContact OD1-CD 3.24Å; D980-K1001 WeakPolarHBondContact OD1-CD 3.41Å; D980-K1001 WeakPolarHBondContact OD1-CE 3.42Å; D980-K1001 IonicContact OD1-NZ 2.7Å; D980-K1001 PolarHBondContact OD1-NZ 3.24Å; D980-K1001 IonicContact OD2-NZ 2.65Å; D980-K1001 PolarHBondContact OD2-NZ 3.2Å; D980-K1001 VanDerWaalsContact OD2-NZ 3.12Å |
| 981 | F | 92.7 | Very high | 87.8 | Confident | 36 Ų | 36 | 45.3 Ų | 45.3 | 16% | 0.158 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.1 | -40.8 | 173 | 169 | -105 | 0 | 0 | 0 | 113.2 | L394 K977 Y985 V1039 Y1043 N1046 | L394-F981 HydrophobicContact CD1-CE1 3.89Å; L394-F981 HydrophobicContact CD1-CZ 3.82Å; L394-F981 HydrophobicContact CD2-CE1 4.03Å; L394-F981 HydrophobicContact CG-CE1 4.35Å; K977-F981 WeakPolarHBondContact O-CB 3.39Å; K977-F981 PolarHBondContact O-N 3.49Å; F981-Y985 VanDerWaalsContact O-CB 3.31Å; F981-Y985 WeakPolarHBondContact O-CB 3.29Å; F981-Y985 PolarHBondContact O-N 2.86Å; F981-V1039 HydrophobicContact CD1-CG1 4.08Å; F981-V1039 HydrophobicContact CE1-CG1 4.45Å; F981-Y1043 HydrophobicContact CB-CD2 4.33Å; F981-Y1043 AromaticContact CD2-CD2 3.71Å; F981-Y1043 HydrophobicContact CD2-CD2 3.71Å; F981-Y1043 HydrophobicContact CD2-CG 4.42Å; F981-Y1043 HydrophobicContact CE2-CD2 4.09Å; F981-Y1043 AromaticContact CG-CD2 3.97Å; F981-Y1043 HydrophobicContact CG-CD2 3.97Å; F981-Y1043 HydrophobicContact CG-CG 4.33Å; F981-N1046 WeakPolarHBondContact CZ-ND2 3.42Å |
| 982 | L | 92.8 | Very high | 87.6 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.6 | -47.1 | 176 | -178 | 58.9 | 0 | 0 | 0 | 111.8 | L387 L394 T978 V979 D980 D984 Y985 I986 L1004 V1039 | L387-L982 HydrophobicContact CD1-CD2 4.4Å; L394-L982 HydrophobicContact CD2-CD1 3.75Å; T978-L982 PolarHBondContact O-N 2.65Å; V979-L982 PolarHBondContact O-N 2.76Å; D980-L982 VanDerWaalsContact C-N 3.31Å; D980-L982 PolarHBondContact O-N 2.74Å; L982-D984 VanDerWaalsContact C-N 3.35Å; L982-D984 PolarHBondContact O-N 3.35Å; L982-Y985 PolarHBondContact O-N 2.85Å; L982-I986 HydrophobicContact CD1-CD1 3.97Å; L982-I986 HydrophobicContact CD1-CG1 4.36Å; L982-I986 HydrophobicContact CG-CD1 3.94Å; L982-I986 WeakPolarHBondContact O-CB 3.33Å; L982-I986 VanDerWaalsContact O-CG1 3.23Å; L982-I986 WeakPolarHBondContact O-CG1 3.5Å; L982-I986 PolarHBondContact O-N 3.41Å; L982-L1004 HydrophobicContact CD2-CD1 3.95Å; L982-V1039 HydrophobicContact CB-CG1 3.93Å; L982-V1039 HydrophobicContact CD1-CG1 4.34Å; L982-V1039 HydrophobicContact CD1-CG2 4.21Å; L982-V1039 HydrophobicContact CD2-CG1 4.48Å; L982-V1039 HydrophobicContact CD2-CG2 4.47Å; L982-V1039 HydrophobicContact CG-CG1 4.48Å |
| 983 | C | 91.6 | Very high | 87.6 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.034 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 178.2 | -85.9 | 0 | 0 | 0 | 0 | 112.1 | V979 D980 I986 S987 S997 | V979-C983 WeakPolarHBondContact O-CB 3.37Å; V979-C983 PolarHBondContact O-N 3.24Å; D980-C983 PolarHBondContact O-N 2.73Å; C983-I986 PolarHBondContact O-N 3Å; C983-S987 PolarHBondContact O-N 2.81Å; C983-S987 PolarHBondContact O-OG 2.87Å; C983-S997 VanDerWaalsContact C-OG 3.29Å; C983-S997 WeakPolarHBondContact CA-OG 3.22Å; C983-S997 WeakPolarHBondContact CB-OG 3.48Å; C983-S997 PolarHBondContact O-OG 2.91Å; C983-S997 PolarHBondContact SG-O 2.96Å |
| 984 | D | 89.9 | Confident | 87.4 | Confident | 83 Ų | 83 | 56 Ų | 56 | 44% | 0.444 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 173.9 | -110.7 | 37.7 | 0 | 0 | 0 | 112.4 | D980 L982 I986 S987 K988 | D980-D984 WeakPolarHBondContact O-CB 3.37Å; D980-D984 PolarHBondContact O-N 3.14Å; L982-D984 VanDerWaalsContact C-N 3.35Å; L982-D984 PolarHBondContact O-N 3.35Å; D984-I986 VanDerWaalsContact C-N 3.31Å; D984-I986 PolarHBondContact O-N 3.26Å; D984-S987 PolarHBondContact O-N 3.21Å; D984-K988 WeakPolarHBondContact O-CB 3.41Å; D984-K988 WeakPolarHBondContact O-CD 3.42Å; D984-K988 WeakPolarHBondContact O-CG 3.07Å; D984-K988 PolarHBondContact O-N 2.88Å; D984-K988 IonicContact OD2-NZ 3.61Å; D984-K988 PolarHBondContact OD2-NZ 3.33Å |
| 985 | Y | 90.3 | Very high | 87.4 | Confident | 35 Ų | 35 | 55.6 Ų | 55.6 | 14% | 0.137 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 178 | 178.8 | -100.9 | 0 | 0 | 0 | 111.5 | I390 L394 F981 L982 K988 N989 F990 | I390-Y985 HydrophobicContact CG2-CD1 4.12Å; I390-Y985 HydrophobicContact CG2-CE1 4.02Å; L394-Y985 HydrophobicContact CB-CD1 4.04Å; L394-Y985 HydrophobicContact CB-CE1 3.63Å; L394-Y985 HydrophobicContact CD1-CD1 3.92Å; L394-Y985 HydrophobicContact CD1-CD2 3.84Å; L394-Y985 HydrophobicContact CD1-CE1 4.02Å; L394-Y985 HydrophobicContact CD1-CE2 3.97Å; L394-Y985 HydrophobicContact CD1-CG 3.83Å; L394-Y985 HydrophobicContact CD2-CD1 3.88Å; L394-Y985 HydrophobicContact CD2-CE1 4.35Å; L394-Y985 HydrophobicContact CD2-CG 4.27Å; L394-Y985 HydrophobicContact CG-CD1 4.16Å; L394-Y985 HydrophobicContact CG-CE1 4.2Å; F981-Y985 VanDerWaalsContact O-CB 3.31Å; F981-Y985 WeakPolarHBondContact O-CB 3.29Å; F981-Y985 PolarHBondContact O-N 2.86Å; L982-Y985 PolarHBondContact O-N 2.85Å; Y985-K988 PolarHBondContact O-N 3.35Å; Y985-N989 WeakPolarHBondContact CD2-ND2 3.38Å; Y985-N989 HydrophobicContact CE2-CB 4.31Å; Y985-N989 VanDerWaalsContact CE2-ND2 3.35Å; Y985-N989 WeakPolarHBondContact CE2-ND2 3.28Å; Y985-N989 WeakPolarHBondContact O-CB 3.36Å; Y985-N989 PolarHBondContact O-N 2.83Å; Y985-N989 PolarHBondContact O-ND2 2.94Å; Y985-F990 HydrophobicContact CD1-CE2 4.44Å; Y985-F990 HydrophobicContact CE1-CD2 4.29Å; Y985-F990 AromaticContact CE1-CE2 3.65Å; Y985-F990 HydrophobicContact CE1-CE2 3.65Å |
| 986 | I | 86.6 | Confident | 87.3 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.5 | -50.7 | 175.1 | -70.2 | 172.6 | 0 | 0 | 0 | 110.8 | L387 I390 L982 C983 D984 K988 N989 F990 F993 L1000 | L387-I986 HydrophobicContact CD2-CD1 3.84Å; I390-I986 HydrophobicContact CD1-CD1 3.91Å; I390-I986 HydrophobicContact CD1-CG1 3.89Å; I390-I986 HydrophobicContact CG2-CD1 4.27Å; I390-I986 HydrophobicContact CG2-CG1 3.85Å; L982-I986 HydrophobicContact CD1-CD1 3.97Å; L982-I986 HydrophobicContact CD1-CG1 4.36Å; L982-I986 HydrophobicContact CG-CD1 3.94Å; L982-I986 WeakPolarHBondContact O-CB 3.33Å; L982-I986 VanDerWaalsContact O-CG1 3.23Å; L982-I986 WeakPolarHBondContact O-CG1 3.5Å; L982-I986 PolarHBondContact O-N 3.41Å; C983-I986 PolarHBondContact O-N 3Å; D984-I986 VanDerWaalsContact C-N 3.31Å; D984-I986 PolarHBondContact O-N 3.26Å; I986-K988 PolarHBondContact O-N 3.04Å; I986-N989 PolarHBondContact O-N 2.83Å; I986-F990 HydrophobicContact CG2-CB 4.45Å; I986-F990 CarbonylContact O-C 3.55Å; I986-F990 VanDerWaalsContact O-C 3.3Å; I986-F990 WeakPolarHBondContact O-CA 3.43Å; I986-F990 PolarHBondContact O-N 3.46Å; I986-F993 HydrophobicContact CG2-CB 3.78Å; I986-F993 HydrophobicContact CG2-CD1 3.73Å; I986-F993 HydrophobicContact CG2-CG 3.79Å; I986-L1000 HydrophobicContact CD1-CD2 3.47Å; I986-L1000 VanDerWaalsContact CD1-CD2 3.47Å |
| 987 | S | 83.9 | Confident | 87.1 | Confident | 61 Ų | 61 | 55.2 Ų | 55.2 | 43% | 0.427 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -55.4 | -38.3 | 177.2 | -63 | 0 | 0 | 0 | 0 | 113 | C983 D984 S997 | C983-S987 PolarHBondContact O-N 2.81Å; C983-S987 PolarHBondContact O-OG 2.87Å; D984-S987 PolarHBondContact O-N 3.21Å; S987-S997 WeakPolarHBondContact OG-CB 3.48Å; S987-S997 PolarHBondContact OG-OG 2.87Å; S987-S997 VanDerWaalsContact OG-OG 3.14Å |
| 988 | K | 84.3 | Confident | 87.1 | Confident | 151 Ų | 151 | 55.4 Ų | 55.4 | 66% | 0.657 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -82 | -35.1 | -176.7 | -72.6 | 163.7 | 178.6 | 157.9 | 0 | 114 | D984 Y985 I986 | D984-K988 WeakPolarHBondContact O-CB 3.41Å; D984-K988 WeakPolarHBondContact O-CD 3.42Å; D984-K988 WeakPolarHBondContact O-CG 3.07Å; D984-K988 PolarHBondContact O-N 2.88Å; D984-K988 IonicContact OD2-NZ 3.61Å; D984-K988 PolarHBondContact OD2-NZ 3.33Å; Y985-K988 PolarHBondContact O-N 3.35Å; I986-K988 PolarHBondContact O-N 3.04Å |
| 989 | N | 83.9 | Confident | 87.1 | Confident | 85 Ų | 85 | 56.5 Ų | 56.5 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -112.4 | -18 | -170 | -60.6 | -99.7 | 0 | 0 | 0 | 113.7 | Y985 I986 | Y985-N989 WeakPolarHBondContact CD2-ND2 3.38Å; Y985-N989 HydrophobicContact CE2-CB 4.31Å; Y985-N989 VanDerWaalsContact CE2-ND2 3.35Å; Y985-N989 WeakPolarHBondContact CE2-ND2 3.28Å; Y985-N989 WeakPolarHBondContact O-CB 3.36Å; Y985-N989 PolarHBondContact O-N 2.83Å; Y985-N989 PolarHBondContact O-ND2 2.94Å; I986-N989 PolarHBondContact O-N 2.83Å |
| 990 | F | 84.9 | Confident | 87.1 | Confident | 60 Ų | 60 | 56.5 Ų | 56.5 | 26% | 0.263 | 31% | 0.311 | S | S | . | . | trans | -133.7 | 61.2 | -176.7 | -60.2 | -83.3 | 0 | 0 | 0 | 110.8 | I390 N393 Y985 I986 L992 F993 | I390-F990 HydrophobicContact CD1-CG 4.46Å; I390-F990 HydrophobicContact CG2-CD2 4.2Å; I390-F990 HydrophobicContact CG2-CE2 4.15Å; N393-F990 HydrophobicContact CB-CZ 4.03Å; N393-F990 WeakPolarHBondContact ND2-CZ 3.21Å; Y985-F990 HydrophobicContact CD1-CE2 4.44Å; Y985-F990 HydrophobicContact CE1-CD2 4.29Å; Y985-F990 AromaticContact CE1-CE2 3.65Å; Y985-F990 HydrophobicContact CE1-CE2 3.65Å; I986-F990 HydrophobicContact CG2-CB 4.45Å; I986-F990 CarbonylContact O-C 3.55Å; I986-F990 VanDerWaalsContact O-C 3.3Å; I986-F990 WeakPolarHBondContact O-CA 3.43Å; I986-F990 PolarHBondContact O-N 3.46Å; F990-L992 PolarHBondContact O-N 3.46Å; F990-F993 HydrophobicContact CB-CB 4.3Å; F990-F993 VanDerWaalsContact O-CB 3.24Å; F990-F993 WeakPolarHBondContact O-CB 3.47Å; F990-F993 PolarHBondContact O-N 2.65Å | ||
| 991 | P | 76 | Confident | 87.1 | Confident | 112 Ų | 112 | 56.9 Ų | 56.9 | 73% | 0.727 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -16.2 | -177.7 | 27 | -36.2 | 0 | 0 | 0 | 113.9 | ||
| 992 | L | 80 | Confident | 87 | Confident | 171 Ų | 171 | 59.5 Ų | 59.5 | 90% | 0.895 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 14.4 | 173.9 | -62 | 174.4 | 0 | 0 | 0 | 113.4 | F990 | F990-L992 PolarHBondContact O-N 3.46Š|
| 993 | F | 85.5 | Confident | 87.1 | Confident | 35 Ų | 35 | 59.4 Ų | 59.4 | 15% | 0.154 | 32% | 0.324 | C | S | . | . | trans | -70.2 | 129.7 | 178.4 | -172.4 | -107 | 0 | 0 | 0 | 111.1 | L387 I390 I986 F990 I995 L1000 | L387-F993 HydrophobicContact CD2-CZ 3.98Å; I390-F993 HydrophobicContact CD1-CD2 3.5Å; I390-F993 VanDerWaalsContact CD1-CD2 3.5Å; I390-F993 HydrophobicContact CD1-CE2 3.51Å; I390-F993 HydrophobicContact CD1-CG 4.29Å; I390-F993 HydrophobicContact CD1-CZ 4.3Å; I986-F993 HydrophobicContact CG2-CB 3.78Å; I986-F993 HydrophobicContact CG2-CD1 3.73Å; I986-F993 HydrophobicContact CG2-CG 3.79Å; F990-F993 HydrophobicContact CB-CB 4.3Å; F990-F993 VanDerWaalsContact O-CB 3.24Å; F990-F993 WeakPolarHBondContact O-CB 3.47Å; F990-F993 PolarHBondContact O-N 2.65Å; F993-I995 HydrophobicContact CD1-CB 4.28Å; F993-I995 WeakPolarHBondContact CD1-O 3.2Å; F993-I995 HydrophobicContact CE1-CB 3.88Å; F993-I995 HydrophobicContact CE1-CG1 4.33Å; F993-I995 PolarHBondContact O-N 2.85Å; F993-I995 VanDerWaalsContact O-N 3.08Å; F993-L1000 HydrophobicContact CD1-CD2 4.41Å; F993-L1000 HydrophobicContact CE1-CD1 4.13Å; F993-L1000 HydrophobicContact CE1-CD2 3.79Å; F993-L1000 HydrophobicContact CE1-CG 4.46Å | ||
| 994 | P | 83.3 | Confident | 87.2 | Confident | 73 Ų | 73 | 59.1 Ų | 59.1 | 47% | 0.474 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -72.1 | -7.1 | -165.2 | 27.7 | -37.2 | 0 | 0 | 0 | 115.7 | V333 | V333-P994 HydrophobicContact CG1-CB 4.27Å; V333-P994 HydrophobicContact CG1-CG 4.46Å; V333-P994 HydrophobicContact CG2-CB 4.32Å; V333-P994 VanDerWaalsContact CG2-O 3.24Å; V333-P994 WeakPolarHBondContact CG2-O 3.37Å |
| 995 | I | 87.6 | Confident | 87.3 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -114.9 | 116.7 | 176.3 | -54.1 | 174.1 | 0 | 0 | 0 | 108.4 | L328 V333 W382 L386 F993 S997 F999 L1000 L1003 | L328-I995 HydrophobicContact CD2-CD1 3.84Å; L328-I995 HydrophobicContact CD2-CG1 3.89Å; V333-I995 HydrophobicContact CG1-CD1 4.25Å; V333-I995 HydrophobicContact CG1-CG1 3.83Å; W382-I995 HydrophobicContact CH2-CD1 4.11Å; W382-I995 HydrophobicContact CZ3-CD1 4.34Å; L386-I995 HydrophobicContact CD1-CD1 3.88Å; F993-I995 HydrophobicContact CD1-CB 4.28Å; F993-I995 WeakPolarHBondContact CD1-O 3.2Å; F993-I995 HydrophobicContact CE1-CB 3.88Å; F993-I995 HydrophobicContact CE1-CG1 4.33Å; F993-I995 PolarHBondContact O-N 2.85Å; F993-I995 VanDerWaalsContact O-N 3.08Å; I995-S997 PolarHBondContact O-N 3.35Å; I995-F999 HydrophobicContact CG2-CB 4.32Å; I995-F999 HydrophobicContact CG2-CD1 3.9Å; I995-F999 HydrophobicContact CG2-CG 4.39Å; I995-L1000 HydrophobicContact CB-CB 4.49Å; I995-L1000 HydrophobicContact CD1-CD1 4.4Å; I995-L1000 HydrophobicContact CG2-CB 3.95Å; I995-L1003 HydrophobicContact CD1-CD1 4.21Å; I995-L1003 HydrophobicContact CG2-CD1 4.15Å |
| 996 | P | 86.6 | Confident | 87.3 | Confident | 66 Ų | 66 | 56.1 Ų | 56.1 | 43% | 0.429 | 31% | 0.309 | S | S | . | . | trans | -53.7 | 135.1 | 175.3 | -28.3 | 36.4 | 0 | 0 | 0 | 112 | M331 P998 F999 L1000 | M331-P996 VanDerWaalsContact CE-CD 3.44Å; M331-P996 HydrophobicContact CE-CG 3.69Å; P996-P998 VanDerWaalsContact C-CD 3.47Å; P996-P998 VanDerWaalsContact O-N 3.16Å; P996-F999 WeakPolarHBondContact O-CA 3.44Å; P996-F999 PolarHBondContact O-N 2.99Å; P996-L1000 PolarHBondContact O-N 3.48Å | ||
| 997 | S | 84.8 | Confident | 87.4 | Confident | 21 Ų | 21 | 56 Ų | 56 | 15% | 0.147 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -51.8 | -40.3 | -168.9 | -164.9 | 0 | 0 | 0 | 0 | 115.4 | C983 S987 I995 F999 L1000 K1001 | C983-S997 VanDerWaalsContact C-OG 3.29Å; C983-S997 WeakPolarHBondContact CA-OG 3.22Å; C983-S997 WeakPolarHBondContact CB-OG 3.48Å; C983-S997 PolarHBondContact O-OG 2.91Å; C983-S997 PolarHBondContact SG-O 2.96Å; S987-S997 WeakPolarHBondContact OG-CB 3.48Å; S987-S997 PolarHBondContact OG-OG 2.87Å; S987-S997 VanDerWaalsContact OG-OG 3.14Å; I995-S997 PolarHBondContact O-N 3.35Å; S997-F999 PolarHBondContact O-N 2.74Å; S997-L1000 PolarHBondContact O-N 2.82Å; S997-K1001 PolarHBondContact O-N 3.17Å; S997-K1001 VanDerWaalsContact O-N 3.07Å |
| 998 | P | 87.6 | Confident | 87.7 | Confident | 100 Ų | 100 | 53.4 Ų | 53.4 | 65% | 0.649 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63 | -37.1 | 173.7 | -22.9 | 34.9 | 0 | 0 | 0 | 113.9 | P996 K1001 D1002 | P996-P998 VanDerWaalsContact C-CD 3.47Å; P996-P998 VanDerWaalsContact O-N 3.16Å; P998-K1001 WeakPolarHBondContact O-CB 3.46Å; P998-K1001 PolarHBondContact O-N 2.76Å; P998-D1002 PolarHBondContact O-N 2.82Å |
| 999 | F | 91.6 | Very high | 88 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 10% | 0.101 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -78.4 | -28 | 179.1 | -175.8 | -138.5 | 0 | 0 | 0 | 112.1 | N324 K327 L328 M331 I995 P996 S997 D1002 L1003 | N324-F999 HydrophobicContact CB-CE2 4.15Å; N324-F999 HydrophobicContact CB-CZ 4.13Å; N324-F999 WeakPolarHBondContact OD1-CE2 3.31Å; K327-F999 HydrophobicContact CB-CE1 3.95Å; K327-F999 HydrophobicContact CB-CZ 3.68Å; K327-F999 HydrophobicContact CD-CD2 4.49Å; K327-F999 HydrophobicContact CD-CE1 4.4Å; K327-F999 HydrophobicContact CD-CE2 3.68Å; K327-F999 HydrophobicContact CD-CZ 3.64Å; K327-F999 HydrophobicContact CG-CZ 4.33Å; L328-F999 HydrophobicContact CD2-CD1 4.49Å; L328-F999 HydrophobicContact CD2-CE1 3.75Å; L328-F999 HydrophobicContact CD2-CZ 4.48Å; L328-F999 HydrophobicContact CG-CE1 3.91Å; L328-F999 HydrophobicContact CG-CZ 4.21Å; M331-F999 HydrophobicContact SD-CD1 4.03Å; M331-F999 HydrophobicContact SD-CE1 4.03Å; I995-F999 HydrophobicContact CG2-CB 4.32Å; I995-F999 HydrophobicContact CG2-CD1 3.9Å; I995-F999 HydrophobicContact CG2-CG 4.39Å; P996-F999 WeakPolarHBondContact O-CA 3.44Å; P996-F999 PolarHBondContact O-N 2.99Å; S997-F999 PolarHBondContact O-N 2.74Å; F999-D1002 HydrophobicContact CD2-CB 4.27Å; F999-D1002 PolarHBondContact O-N 3.14Å; F999-L1003 HydrophobicContact CD1-CD1 4.41Å; F999-L1003 HydrophobicContact CD2-CG 4.44Å; F999-L1003 HydrophobicContact CE1-CD1 4.15Å; F999-L1003 HydrophobicContact CE2-CD1 4.31Å; F999-L1003 HydrophobicContact CE2-CD2 4.34Å; F999-L1003 HydrophobicContact CE2-CG 4.07Å; F999-L1003 HydrophobicContact CZ-CD1 4.06Å; F999-L1003 HydrophobicContact CZ-CD2 4.31Å; F999-L1003 HydrophobicContact CZ-CG 4.23Å; F999-L1003 WeakPolarHBondContact O-CG 3.39Å; F999-L1003 PolarHBondContact O-N 2.73Å; F999-L1003 VanDerWaalsContact O-N 3.12Å |
| 1000 | L | 92.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 168.5 | -178.6 | 65.5 | 0 | 0 | 0 | 111.5 | L383 L387 I986 F993 I995 P996 S997 L1003 L1004 | L383-L1000 HydrophobicContact CD2-CD1 4.46Å; L387-L1000 HydrophobicContact CD2-CD1 4.42Å; L387-L1000 HydrophobicContact CD2-CD2 4.31Å; I986-L1000 HydrophobicContact CD1-CD2 3.47Å; I986-L1000 VanDerWaalsContact CD1-CD2 3.47Å; F993-L1000 HydrophobicContact CD1-CD2 4.41Å; F993-L1000 HydrophobicContact CE1-CD1 4.13Å; F993-L1000 HydrophobicContact CE1-CD2 3.79Å; F993-L1000 HydrophobicContact CE1-CG 4.46Å; I995-L1000 HydrophobicContact CB-CB 4.49Å; I995-L1000 HydrophobicContact CD1-CD1 4.4Å; I995-L1000 HydrophobicContact CG2-CB 3.95Å; P996-L1000 PolarHBondContact O-N 3.48Å; S997-L1000 PolarHBondContact O-N 2.82Å; L1000-L1003 PolarHBondContact O-N 3.36Å; L1000-L1004 HydrophobicContact CD1-CD1 4.37Å; L1000-L1004 HydrophobicContact CD1-CG 4.47Å; L1000-L1004 HydrophobicContact CG-CD1 4.05Å; L1000-L1004 WeakPolarHBondContact O-CG 3.32Å; L1000-L1004 PolarHBondContact O-N 2.63Å |
| 1001 | K | 92.6 | Very high | 88.3 | Confident | 67 Ų | 67 | 45.5 Ų | 45.5 | 29% | 0.291 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57 | -48.6 | 174.5 | 172.5 | 173.5 | -177 | 166.4 | 0 | 111.5 | V979 D980 S997 P998 L1003 L1004 L1005 | V979-K1001 HydrophobicContact CG1-CB 4.04Å; V979-K1001 HydrophobicContact CG1-CG 3.86Å; D980-K1001 VanDerWaalsContact CG-NZ 3.27Å; D980-K1001 VanDerWaalsContact OD1-CD 3.24Å; D980-K1001 WeakPolarHBondContact OD1-CD 3.41Å; D980-K1001 WeakPolarHBondContact OD1-CE 3.42Å; D980-K1001 IonicContact OD1-NZ 2.7Å; D980-K1001 PolarHBondContact OD1-NZ 3.24Å; D980-K1001 IonicContact OD2-NZ 2.65Å; D980-K1001 PolarHBondContact OD2-NZ 3.2Å; D980-K1001 VanDerWaalsContact OD2-NZ 3.12Å; S997-K1001 PolarHBondContact O-N 3.17Å; S997-K1001 VanDerWaalsContact O-N 3.07Å; P998-K1001 WeakPolarHBondContact O-CB 3.46Å; P998-K1001 PolarHBondContact O-N 2.76Å; K1001-L1003 PolarHBondContact O-N 2.73Å; K1001-L1004 PolarHBondContact O-N 3.32Å; K1001-L1005 HydrophobicContact CG-CD1 3.78Å; K1001-L1005 HydrophobicContact CG-CG 4.47Å; K1001-L1005 WeakPolarHBondContact O-CB 3.48Å; K1001-L1005 WeakPolarHBondContact O-CG 3.28Å; K1001-L1005 PolarHBondContact O-N 3.49Å |
| 1002 | D | 92 | Very high | 88.9 | Confident | 91 Ų | 91 | 42.4 Ų | 42.4 | 49% | 0.487 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -55.8 | -46.4 | 175 | -83.6 | -9.5 | 0 | 0 | 0 | 112.7 | P998 F999 L1006 | P998-D1002 PolarHBondContact O-N 2.82Å; F999-D1002 HydrophobicContact CD2-CB 4.27Å; F999-D1002 PolarHBondContact O-N 3.14Å; D1002-L1006 WeakPolarHBondContact O-CB 3.43Å; D1002-L1006 PolarHBondContact O-N 2.63Å |
| 1003 | L | 93.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.8 | -40.2 | -178.8 | -74.1 | 168 | 0 | 0 | 0 | 112.6 | N324 L328 L379 L383 I995 F999 L1000 K1001 C1007 | N324-L1003 HydrophobicContact CB-CD2 3.86Å; L328-L1003 HydrophobicContact CD1-CD1 4.04Å; L328-L1003 HydrophobicContact CD1-CD2 4.32Å; L328-L1003 HydrophobicContact CD2-CD1 4.1Å; L328-L1003 HydrophobicContact CG-CD1 4.39Å; L379-L1003 HydrophobicContact CD2-CD2 4.35Å; L383-L1003 HydrophobicContact CD1-CB 4.23Å; L383-L1003 HydrophobicContact CD2-CB 4.32Å; I995-L1003 HydrophobicContact CD1-CD1 4.21Å; I995-L1003 HydrophobicContact CG2-CD1 4.15Å; F999-L1003 HydrophobicContact CD1-CD1 4.41Å; F999-L1003 HydrophobicContact CD2-CG 4.44Å; F999-L1003 HydrophobicContact CE1-CD1 4.15Å; F999-L1003 HydrophobicContact CE2-CD1 4.31Å; F999-L1003 HydrophobicContact CE2-CD2 4.34Å; F999-L1003 HydrophobicContact CE2-CG 4.07Å; F999-L1003 HydrophobicContact CZ-CD1 4.06Å; F999-L1003 HydrophobicContact CZ-CD2 4.31Å; F999-L1003 HydrophobicContact CZ-CG 4.23Å; F999-L1003 WeakPolarHBondContact O-CG 3.39Å; F999-L1003 PolarHBondContact O-N 2.73Å; F999-L1003 VanDerWaalsContact O-N 3.12Å; L1000-L1003 PolarHBondContact O-N 3.36Å; K1001-L1003 PolarHBondContact O-N 2.73Å; L1003-C1007 PolarHBondContact O-N 3.02Å; L1003-C1007 PolarHBondContact O-SG 3.1Å |
| 1004 | L | 93.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.3 | -50.3 | 176.7 | -75.3 | 169.9 | 0 | 0 | 0 | 111.3 | L387 V979 L982 L1000 K1001 L1006 C1007 T1008 L1032 | L387-L1004 HydrophobicContact CD1-CD2 3.85Å; V979-L1004 HydrophobicContact CG1-CB 4.09Å; V979-L1004 HydrophobicContact CG1-CD1 3.97Å; V979-L1004 HydrophobicContact CG2-CB 4.04Å; V979-L1004 HydrophobicContact CG2-CD1 4.4Å; L982-L1004 HydrophobicContact CD2-CD1 3.95Å; L1000-L1004 HydrophobicContact CD1-CD1 4.37Å; L1000-L1004 HydrophobicContact CD1-CG 4.47Å; L1000-L1004 HydrophobicContact CG-CD1 4.05Å; L1000-L1004 WeakPolarHBondContact O-CG 3.32Å; L1000-L1004 PolarHBondContact O-N 2.63Å; K1001-L1004 PolarHBondContact O-N 3.32Å; L1004-L1006 PolarHBondContact O-N 2.83Å; L1004-C1007 PolarHBondContact O-N 2.73Å; L1004-C1007 VanDerWaalsContact O-N 3.12Å; L1004-T1008 PolarHBondContact O-N 2.6Å; L1004-T1008 PolarHBondContact O-OG1 3Å; L1004-L1032 HydrophobicContact CD2-CD1 4.14Å; L1004-L1032 HydrophobicContact CD2-CD2 3.83Å |
| 1005 | L | 92.4 | Very high | 89.7 | Confident | 37 Ų | 37 | 30.7 Ų | 30.7 | 19% | 0.194 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.6 | -39 | 179.3 | -67.2 | 173.1 | 0 | 0 | 0 | 111.8 | L975 T976 V979 K1001 C1007 T1008 A1009 | L975-L1005 HydrophobicContact CD2-CD2 4.28Å; L975-L1005 HydrophobicContact CG-CD2 4.05Å; T976-L1005 HydrophobicContact CG2-CD2 4.3Å; V979-L1005 HydrophobicContact CG1-CG 4.45Å; V979-L1005 HydrophobicContact CG2-CD2 4.18Å; K1001-L1005 HydrophobicContact CG-CD1 3.78Å; K1001-L1005 HydrophobicContact CG-CG 4.47Å; K1001-L1005 WeakPolarHBondContact O-CB 3.48Å; K1001-L1005 WeakPolarHBondContact O-CG 3.28Å; K1001-L1005 PolarHBondContact O-N 3.49Å; L1005-C1007 PolarHBondContact O-N 3.15Å; L1005-T1008 PolarHBondContact O-N 3.2Å; L1005-A1009 HydrophobicContact CD2-CB 4.39Å; L1005-A1009 WeakPolarHBondContact O-CB 3.46Å; L1005-A1009 PolarHBondContact O-N 3.33Å |
| 1006 | L | 91 | Very high | 89.5 | Confident | 18 Ų | 18 | 34.6 Ų | 34.6 | 9% | 0.094 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.6 | -29.4 | 174.2 | 178.2 | 63.2 | 0 | 0 | 0 | 113.3 | L317 R320 V321 D1002 L1004 | L317-L1006 HydrophobicContact CD1-CD1 3.86Å; R320-L1006 HydrophobicContact CB-CD1 4.17Å; V321-L1006 HydrophobicContact CG2-CD2 4.26Å; D1002-L1006 WeakPolarHBondContact O-CB 3.43Å; D1002-L1006 PolarHBondContact O-N 2.63Å; L1004-L1006 PolarHBondContact O-N 2.83Å |
| 1007 | C | 89 | Confident | 89.2 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -92.3 | -11.9 | -178.2 | -64 | 0 | 0 | 0 | 0 | 114.2 | A380 L1003 L1004 L1005 L1032 | A380-C1007 HydrophobicContact CB-CB 4.35Å; L1003-C1007 PolarHBondContact O-N 3.02Å; L1003-C1007 PolarHBondContact O-SG 3.1Å; L1004-C1007 PolarHBondContact O-N 2.73Å; L1004-C1007 VanDerWaalsContact O-N 3.12Å; L1005-C1007 PolarHBondContact O-N 3.15Å; C1007-L1032 HydrophobicContact CB-CD1 3.57Å |
| 1008 | T | 90.3 | Very high | 89.3 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -140.8 | -21.9 | -164.4 | 57 | 0 | 0 | 0 | 0 | 116.2 | L1004 L1005 V1011 L1032 L1036 | L1004-T1008 PolarHBondContact O-N 2.6Å; L1004-T1008 PolarHBondContact O-OG1 3Å; L1005-T1008 PolarHBondContact O-N 3.2Å; T1008-V1011 WeakPolarHBondContact O-CG2 3.43Å; T1008-L1032 HydrophobicContact CG2-CB 3.79Å; T1008-L1032 HydrophobicContact CG2-CD1 3.95Å; T1008-L1036 HydrophobicContact CG2-CD1 3.8Å |
| 1009 | A | 89 | Confident | 89.3 | Confident | 34 Ų | 34 | 37 Ų | 37 | 28% | 0.281 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -89.9 | 141.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L975 L1005 V1011 | L975-A1009 HydrophobicContact CD2-CB 3.69Å; L1005-A1009 HydrophobicContact CD2-CB 4.39Å; L1005-A1009 WeakPolarHBondContact O-CB 3.46Å; L1005-A1009 PolarHBondContact O-N 3.33Å; A1009-V1011 VanDerWaalsContact C-N 3.33Å; A1009-V1011 PolarHBondContact O-N 2.73Å |
| 1010 | N | 87.3 | Confident | 89.2 | Confident | 80 Ų | 80 | 36.4 Ų | 36.4 | 43% | 0.428 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 53.4 | 44.6 | 176.2 | -65.4 | -63.8 | 0 | 0 | 0 | 113.6 | Q1012 R1021 Q1022 | N1010-Q1012 PolarHBondContact O-N 3.4Å; N1010-Q1012 VanDerWaalsContact O-N 3.13Å; N1010-R1021 PolarHBondContact OD1-NH2 3.14Å; N1010-Q1022 CarbonylContact C-O 3.58Å; N1010-Q1022 WeakPolarHBondContact CA-O 3.38Å; N1010-Q1022 PolarHBondContact N-O 2.89Å |
| 1011 | V | 88 | Confident | 89 | Confident | 17 Ų | 17 | 40 Ų | 40 | 10% | 0.103 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 109.2 | -176.7 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | L369 M371 T1008 A1009 F1013 R1021 Q1022 | L369-V1011 HydrophobicContact CD2-CG1 3.97Å; M371-V1011 HydrophobicContact CE-CG1 4.08Å; T1008-V1011 WeakPolarHBondContact O-CG2 3.43Å; A1009-V1011 VanDerWaalsContact C-N 3.33Å; A1009-V1011 PolarHBondContact O-N 2.73Å; V1011-F1013 WeakPolarHBondContact O-CD1 3.5Å; V1011-R1021 WeakPolarHBondContact O-CA 3.3Å; V1011-Q1022 PolarHBondContact N-O 2.98Å; V1011-Q1022 PolarHBondContact O-N 3.32Å |
| 1012 | Q | 88.4 | Confident | 88.9 | Confident | 46 Ų | 46 | 37.4 Ų | 37.4 | 22% | 0.215 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 140.5 | 170.4 | -74.3 | 174.2 | -33.4 | 0 | 0 | 111.1 | D307 L349 P350 N1010 F1020 R1021 | D307-Q1012 PolarHBondContact OD2-NE2 2.7Å; L349-Q1012 HydrophobicContact CD2-CB 4.13Å; P350-Q1012 WeakPolarHBondContact CD-O 3.32Å; N1010-Q1012 PolarHBondContact O-N 3.4Å; N1010-Q1012 VanDerWaalsContact O-N 3.13Å; Q1012-F1020 CarbonylContact C-O 3.54Å; Q1012-F1020 WeakPolarHBondContact CA-O 3.48Å; Q1012-R1021 HydrophobicContact CG-CB 4.13Å |
| 1013 | F | 90.3 | Very high | 88.5 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 174 | -179.1 | 65.6 | -94.8 | 0 | 0 | 0 | 112.4 | L298 F304 P350 L352 L369 V1011 F1020 Q1022 | L298-F1013 HydrophobicContact CD2-CE2 3.87Å; L298-F1013 HydrophobicContact CD2-CZ 3.68Å; F304-F1013 AromaticContact CD1-CE1 3.99Å; F304-F1013 HydrophobicContact CD1-CE1 3.99Å; F304-F1013 AromaticContact CD1-CZ 3.85Å; F304-F1013 HydrophobicContact CD1-CZ 3.85Å; F304-F1013 HydrophobicContact CE1-CE1 4.28Å; F304-F1013 HydrophobicContact CE1-CZ 4.2Å; P350-F1013 HydrophobicContact CB-CB 4.19Å; P350-F1013 CarbonylContact O-C 3.1Å; P350-F1013 VanDerWaalsContact O-CA 3.28Å; P350-F1013 WeakPolarHBondContact O-CA 3.33Å; P350-F1013 VanDerWaalsContact O-CB 3.28Å; P350-F1013 WeakPolarHBondContact O-CB 3.46Å; L352-F1013 HydrophobicContact CB-CD2 3.81Å; L352-F1013 HydrophobicContact CB-CE2 3.85Å; L352-F1013 HydrophobicContact CD2-CE2 3.72Å; L352-F1013 HydrophobicContact CD2-CZ 4.2Å; L352-F1013 HydrophobicContact CG-CE2 4.28Å; L369-F1013 HydrophobicContact CD1-CB 3.59Å; L369-F1013 HydrophobicContact CD1-CD1 4.32Å; L369-F1013 HydrophobicContact CD1-CD2 4.14Å; L369-F1013 HydrophobicContact CD1-CG 3.79Å; V1011-F1013 WeakPolarHBondContact O-CD1 3.5Å; F1013-F1020 HydrophobicContact CD1-CB 4.43Å; F1013-F1020 HydrophobicContact CD2-CB 4.07Å; F1013-F1020 HydrophobicContact CE1-CB 3.95Å; F1013-F1020 HydrophobicContact CE2-CB 3.55Å; F1013-F1020 HydrophobicContact CE2-CD2 4.18Å; F1013-F1020 HydrophobicContact CE2-CG 4.12Å; F1013-F1020 HydrophobicContact CG-CB 4.49Å; F1013-F1020 HydrophobicContact CZ-CB 3.48Å; F1013-F1020 VanDerWaalsContact CZ-CB 3.48Å; F1013-F1020 HydrophobicContact CZ-CG 4.31Å; F1013-F1020 PolarHBondContact N-O 2.84Å; F1013-F1020 PolarHBondContact O-N 2.84Å; F1013-Q1022 HydrophobicContact CE1-CB 4.2Å |
| 1014 | T | 88.7 | Confident | 88 | Confident | 25 Ų | 25 | 37.6 Ų | 37.6 | 15% | 0.153 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 153 | 175.7 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | L349 P350 N351 L352 E1018 Y1019 | L349-T1014 HydrophobicContact CB-CG2 4.35Å; L349-T1014 HydrophobicContact CD1-CG2 3.98Å; P350-T1014 PolarHBondContact O-N 2.69Å; P350-T1014 PolarHBondContact O-OG1 3.43Å; N351-T1014 WeakPolarHBondContact CA-O 3.19Å; L352-T1014 PolarHBondContact N-O 3.25Å; T1014-E1018 CarbonylContact C-O 3.51Å; T1014-E1018 WeakPolarHBondContact CA-O 3.3Å; T1014-Y1019 HydrophobicContact CG2-CD1 3.54Å; T1014-Y1019 HydrophobicContact CG2-CE1 3.68Å |
| 1015 | F | 88.2 | Confident | 87.7 | Confident | 7 Ų | 7 | 37.7 Ų | 37.7 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 123.7 | 168.1 | 172.7 | -110.7 | 0 | 0 | 0 | 110.3 | Y290 K291 M294 L295 L298 L352 G1017 E1018 F1020 | Y290-F1015 HydrophobicContact CE1-CE2 4.28Å; K291-F1015 HydrophobicContact CG-CE1 4.37Å; M294-F1015 HydrophobicContact CB-CE1 3.73Å; M294-F1015 HydrophobicContact CB-CE2 3.88Å; M294-F1015 HydrophobicContact CB-CZ 3.3Å; M294-F1015 HydrophobicContact CE-CD2 4.31Å; M294-F1015 HydrophobicContact CE-CE2 4.16Å; M294-F1015 HydrophobicContact CG-CE2 3.85Å; M294-F1015 HydrophobicContact CG-CZ 3.71Å; L295-F1015 HydrophobicContact CD2-CE1 4.32Å; L295-F1015 HydrophobicContact CG-CE1 4.49Å; L298-F1015 HydrophobicContact CD1-CB 4.16Å; L298-F1015 HydrophobicContact CD1-CD1 3.61Å; L298-F1015 HydrophobicContact CD1-CE1 4.31Å; L298-F1015 HydrophobicContact CD1-CG 4.01Å; L352-F1015 HydrophobicContact CB-CB 4.46Å; F1015-G1017 PolarHBondContact O-N 3.43Å; F1015-E1018 PolarHBondContact N-O 3.33Å; F1015-E1018 WeakPolarHBondContact O-CB 3.49Å; F1015-E1018 PolarHBondContact O-N 2.89Å; F1015-F1020 HydrophobicContact CB-CD2 4.24Å; F1015-F1020 HydrophobicContact CB-CE2 4.05Å |
| 1016 | E | 83.2 | Confident | 87.6 | Confident | 85 Ų | 85 | 36 Ų | 36 | 40% | 0.397 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 24.7 | -176.3 | -75 | -82.1 | 139.9 | 0 | 0 | 114.4 | K287 | K287-E1016 VanDerWaalsContact CE-CD 3.43Å; K287-E1016 WeakPolarHBondContact CE-OE1 3.23Å; K287-E1016 WeakPolarHBondContact CE-OE2 3.39Å; K287-E1016 IonicContact NZ-OE1 2.62Å; K287-E1016 PolarHBondContact NZ-OE1 3.3Å; K287-E1016 IonicContact NZ-OE2 3.06Å; K287-E1016 PolarHBondContact NZ-OE2 2.78Å |
| 1017 | G | 80.7 | Confident | 87.3 | Confident | 53 Ų | 53 | 35.3 Ų | 35.3 | 55% | 0.546 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.2 | -25.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | F1015 | F1015-G1017 PolarHBondContact O-N 3.43Š|
| 1018 | E | 85.8 | Confident | 87.1 | Confident | 99 Ų | 99 | 37 Ų | 37 | 46% | 0.463 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 152.9 | 176.2 | -71.4 | -60 | 133.2 | 0 | 0 | 112.3 | Q306 T1014 F1015 F1020 | Q306-E1018 PolarHBondContact NE2-OE2 2.96Å; T1014-E1018 CarbonylContact C-O 3.51Å; T1014-E1018 WeakPolarHBondContact CA-O 3.3Å; F1015-E1018 PolarHBondContact N-O 3.33Å; F1015-E1018 WeakPolarHBondContact O-CB 3.49Å; F1015-E1018 PolarHBondContact O-N 2.89Å; E1018-F1020 HydrophobicContact CB-CD2 4.48Å; E1018-F1020 HydrophobicContact CB-CE2 3.61Å; E1018-F1020 HydrophobicContact CB-CZ 4.1Å |
| 1019 | Y | 87.9 | Confident | 86.7 | Confident | 85 Ų | 85 | 38.8 Ų | 38.8 | 33% | 0.333 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 136.2 | -175.8 | -57.5 | -79.7 | 0 | 0 | 0 | 112.6 | Q306 D307 I312 L349 T1014 | Q306-Y1019 WeakPolarHBondContact CG-O 3.45Å; D307-Y1019 PolarHBondContact N-O 2.95Å; I312-Y1019 HydrophobicContact CD1-CD1 3.32Å; I312-Y1019 HydrophobicContact CD1-CD2 3.92Å; I312-Y1019 HydrophobicContact CD1-CE1 4.03Å; I312-Y1019 HydrophobicContact CD1-CG 3.25Å; L349-Y1019 HydrophobicContact CD1-CD1 3.84Å; L349-Y1019 HydrophobicContact CD1-CE1 4.02Å; T1014-Y1019 HydrophobicContact CG2-CD1 3.54Å; T1014-Y1019 HydrophobicContact CG2-CE1 3.68Å |
| 1020 | F | 89.9 | Confident | 86.7 | Confident | 11 Ų | 11 | 37.5 Ų | 37.5 | 5% | 0.048 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 162.6 | -179.1 | -61.6 | -90 | 0 | 0 | 0 | 110.8 | L298 L305 Q306 Q1012 F1013 F1015 E1018 | L298-F1020 HydrophobicContact CB-CE1 4.25Å; L298-F1020 HydrophobicContact CD1-CD2 4.3Å; L298-F1020 HydrophobicContact CD1-CE1 4.22Å; L298-F1020 HydrophobicContact CD1-CE2 3.98Å; L298-F1020 HydrophobicContact CD1-CZ 3.94Å; L298-F1020 HydrophobicContact CD2-CD1 4.32Å; L298-F1020 HydrophobicContact CD2-CG 4.34Å; L305-F1020 CarbonylContact O-C 3.52Å; L305-F1020 VanDerWaalsContact O-CA 3.3Å; L305-F1020 WeakPolarHBondContact O-CA 3.48Å; Q306-F1020 HydrophobicContact CB-CD1 3.98Å; Q306-F1020 HydrophobicContact CB-CE1 3.91Å; Q306-F1020 HydrophobicContact CG-CD1 4.17Å; Q306-F1020 HydrophobicContact CG-CE1 3.87Å; Q306-F1020 HydrophobicContact CG-CZ 4.33Å; Q1012-F1020 CarbonylContact C-O 3.54Å; Q1012-F1020 WeakPolarHBondContact CA-O 3.48Å; F1013-F1020 HydrophobicContact CD1-CB 4.43Å; F1013-F1020 HydrophobicContact CD2-CB 4.07Å; F1013-F1020 HydrophobicContact CE1-CB 3.95Å; F1013-F1020 HydrophobicContact CE2-CB 3.55Å; F1013-F1020 HydrophobicContact CE2-CD2 4.18Å; F1013-F1020 HydrophobicContact CE2-CG 4.12Å; F1013-F1020 HydrophobicContact CG-CB 4.49Å; F1013-F1020 HydrophobicContact CZ-CB 3.48Å; F1013-F1020 VanDerWaalsContact CZ-CB 3.48Å; F1013-F1020 HydrophobicContact CZ-CG 4.31Å; F1013-F1020 PolarHBondContact N-O 2.84Å; F1013-F1020 PolarHBondContact O-N 2.84Å; F1015-F1020 HydrophobicContact CB-CD2 4.24Å; F1015-F1020 HydrophobicContact CB-CE2 4.05Å; E1018-F1020 HydrophobicContact CB-CD2 4.48Å; E1018-F1020 HydrophobicContact CB-CE2 3.61Å; E1018-F1020 HydrophobicContact CB-CZ 4.1Å |
| 1021 | R | 88.2 | Confident | 86.7 | Confident | 76 Ų | 76 | 35.3 Ų | 35.3 | 29% | 0.287 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 133.1 | 170.8 | 54.5 | -177.6 | -79.4 | -170.9 | -7.6 | 110.6 | F304 L305 D307 N1010 V1011 Q1012 V1023 | F304-R1021 WeakPolarHBondContact CA-O 3.46Å; L305-R1021 HydrophobicContact CB-CG 3.95Å; L305-R1021 PolarHBondContact N-O 3.38Å; L305-R1021 PolarHBondContact O-N 3.47Å; D307-R1021 HydrophobicContact CB-CG 4.34Å; D307-R1021 WeakPolarHBondContact OD2-CD 3.35Å; N1010-R1021 PolarHBondContact OD1-NH2 3.14Å; V1011-R1021 WeakPolarHBondContact O-CA 3.3Å; Q1012-R1021 HydrophobicContact CG-CB 4.13Å; R1021-V1023 HydrophobicContact CG-CG1 4.26Å |
| 1022 | Q | 88.6 | Confident | 86.8 | Confident | 12 Ų | 12 | 34.5 Ų | 34.5 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 117.7 | 167.3 | -176.6 | 172.6 | -5.4 | 0 | 0 | 108.6 | K303 F304 N1010 V1011 F1013 D1024 V1026 | K303-Q1022 CarbonylContact O-C 3.55Å; K303-Q1022 WeakPolarHBondContact O-CA 3.47Å; F304-Q1022 HydrophobicContact CD1-CB 3.98Å; F304-Q1022 HydrophobicContact CD1-CG 4.17Å; F304-Q1022 HydrophobicContact CE1-CB 3.93Å; F304-Q1022 HydrophobicContact CE1-CG 3.85Å; N1010-Q1022 CarbonylContact C-O 3.58Å; N1010-Q1022 WeakPolarHBondContact CA-O 3.38Å; N1010-Q1022 PolarHBondContact N-O 2.89Å; V1011-Q1022 PolarHBondContact N-O 2.98Å; V1011-Q1022 PolarHBondContact O-N 3.32Å; F1013-Q1022 HydrophobicContact CE1-CB 4.2Å; Q1022-D1024 WeakPolarHBondContact CG-O 3.41Å; Q1022-D1024 PolarHBondContact NE2-O 3.14Å; Q1022-V1026 PolarHBondContact NE2-O 3.05Å |
| 1023 | V | 84.9 | Confident | 86.9 | Confident | 47 Ų | 47 | 32.3 Ų | 32.3 | 29% | 0.285 | 18% | 0.182 | S | C | . | . | trans | -94.5 | -29.1 | -176.2 | -70.7 | 0 | 0 | 0 | 0 | 113.5 | K303 L305 R1021 | K303-V1023 WeakPolarHBondContact O-CG2 3.4Å; K303-V1023 PolarHBondContact O-N 3.49Å; L305-V1023 HydrophobicContact CD1-CG1 3.78Å; L305-V1023 HydrophobicContact CG-CG1 3.99Å; L305-V1023 HydrophobicContact CG-CG2 4.34Å; R1021-V1023 HydrophobicContact CG-CG1 4.26Å | ||
| 1024 | D | 83.2 | Confident | 86.9 | Confident | 48 Ų | 48 | 34.6 Ų | 34.6 | 26% | 0.257 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -135 | 160.5 | 179.2 | -176.9 | 43.4 | 0 | 0 | 0 | 112.2 | K303 Q1022 | K303-D1024 HydrophobicContact CD-CB 4.09Å; K303-D1024 IonicContact NZ-OD2 2.89Å; K303-D1024 PolarHBondContact NZ-OD2 3.35Å; Q1022-D1024 WeakPolarHBondContact CG-O 3.41Å; Q1022-D1024 PolarHBondContact NE2-O 3.14Å |
| 1025 | G | 86.4 | Confident | 87 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 75.1 | -163.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F970 T971 V973 | F970-G1025 WeakPolarHBondContact O-CA 3.49Å; T971-G1025 WeakPolarHBondContact O-CA 3.44Å; V973-G1025 WeakPolarHBondContact O-CA 3.4Å |
| 1026 | V | 89.6 | Confident | 87.2 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | trans | -123.1 | 143.4 | 172.4 | -69.5 | 0 | 0 | 0 | 0 | 110.6 | F970 V973 L975 Q1022 M1028 L1036 | F970-V1026 HydrophobicContact CB-CG2 4.32Å; F970-V1026 HydrophobicContact CD1-CG2 4.03Å; F970-V1026 WeakPolarHBondContact O-CG2 3.15Å; F970-V1026 PolarHBondContact O-N 2.96Å; V973-V1026 HydrophobicContact CB-CG2 4.19Å; V973-V1026 HydrophobicContact CG1-CG1 4.41Å; V973-V1026 HydrophobicContact CG2-CG2 3.98Å; L975-V1026 HydrophobicContact CD1-CG1 3.92Å; Q1022-V1026 PolarHBondContact NE2-O 3.05Å; V1026-M1028 PolarHBondContact O-N 3.37Å; V1026-L1036 HydrophobicContact CG1-CB 4.14Å; V1026-L1036 HydrophobicContact CG1-CD1 3.97Å | ||
| 1027 | A | 85.8 | Confident | 87.5 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 3% | 0.033 | 17% | 0.171 | C | C | . | . | trans | -70.2 | 125 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L369 G1029 S1030 | L369-A1027 HydrophobicContact CB-CB 4.45Å; L369-A1027 HydrophobicContact CD2-CB 3.58Å; A1027-G1029 PolarHBondContact O-N 2.81Å; A1027-S1030 WeakPolarHBondContact O-CB 3.44Å; A1027-S1030 PolarHBondContact O-N 3.05Å | ||
| 1028 | M | 83.8 | Confident | 88 | Confident | 37 Ų | 37 | 27 Ų | 27 | 18% | 0.182 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 99.6 | 171.7 | -66.5 | -165.4 | 75.7 | 0 | 0 | 110.2 | R366 P367 I368 L369 F970 V1026 | R366-M1028 HydrophobicContact CG-CE 3.85Å; R366-M1028 HydrophobicContact CG-SD 4.38Å; P367-M1028 HydrophobicContact CG-SD 4.32Å; P367-M1028 WeakPolarHBondContact O-CB 3.36Å; I368-M1028 CarbonylContact C-O 2.8Å; I368-M1028 WeakPolarHBondContact CA-O 3.5Å; L369-M1028 PolarHBondContact N-O 2.97Å; F970-M1028 HydrophobicContact CB-CG 3.47Å; F970-M1028 VanDerWaalsContact CB-CG 3.47Å; F970-M1028 HydrophobicContact CB-SD 4.26Å; F970-M1028 HydrophobicContact CD1-CG 4.27Å; F970-M1028 HydrophobicContact CD2-CE 3.86Å; F970-M1028 HydrophobicContact CD2-CG 4.15Å; F970-M1028 HydrophobicContact CD2-SD 4.39Å; F970-M1028 HydrophobicContact CE2-CE 4.26Å; F970-M1028 HydrophobicContact CG-CE 4.38Å; F970-M1028 HydrophobicContact CG-CG 3.72Å; F970-M1028 HydrophobicContact CG-SD 4.49Å; V1026-M1028 PolarHBondContact O-N 3.37Å |
| 1029 | G | 83.3 | Confident | 88.3 | Confident | 43 Ų | 43 | 22.4 Ų | 22.4 | 44% | 0.443 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 120.6 | -8.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1027 | A1027-G1029 PolarHBondContact O-N 2.81Š|
| 1030 | S | 88.4 | Confident | 88.4 | Confident | 7 Ų | 7 | 18.3 Ų | 18.3 | 5% | 0.049 | 11% | 0.109 | C | C | . | . | trans | -66 | 137.8 | 165.5 | 175.2 | 0 | 0 | 0 | 0 | 111 | M371 A1027 L1032 G1033 P1034 | M371-S1030 VanDerWaalsContact SD-CA 3.51Å; A1027-S1030 WeakPolarHBondContact O-CB 3.44Å; A1027-S1030 PolarHBondContact O-N 3.05Å; S1030-L1032 PolarHBondContact O-N 2.61Å; S1030-L1032 PolarHBondContact OG-N 2.68Å; S1030-G1033 PolarHBondContact O-N 3.45Å; S1030-P1034 VanDerWaalsContact O-CD 3.29Å; S1030-P1034 WeakPolarHBondContact O-CD 3.43Å | ||
| 1031 | P | 87.4 | Confident | 88.5 | Confident | 34 Ų | 34 | 17.8 Ų | 17.8 | 22% | 0.221 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -36.7 | 172.9 | -25.1 | 34.4 | 0 | 0 | 0 | 113 | A380 K381 V384 | A380-P1031 HydrophobicContact CB-CB 3.98Å; A380-P1031 HydrophobicContact CB-CG 4.02Å; K381-P1031 HydrophobicContact CG-CB 4.13Å; K381-P1031 HydrophobicContact CG-CG 4.15Å; V384-P1031 WeakPolarHBondContact CG2-O 3.32Å |
| 1032 | L | 90.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -17.6 | 178.3 | -81.7 | 164.1 | 0 | 0 | 0 | 113.6 | A380 L383 V384 L1004 C1007 T1008 S1030 L1035 L1036 | A380-L1032 HydrophobicContact CB-CD1 3.87Å; A380-L1032 HydrophobicContact CB-CG 4.07Å; L383-L1032 HydrophobicContact CB-CD1 4.46Å; L383-L1032 HydrophobicContact CB-CD2 4.18Å; L383-L1032 HydrophobicContact CD1-CD1 4.12Å; V384-L1032 HydrophobicContact CG2-CD2 3.68Å; V384-L1032 HydrophobicContact CG2-CG 4.01Å; L1004-L1032 HydrophobicContact CD2-CD1 4.14Å; L1004-L1032 HydrophobicContact CD2-CD2 3.83Å; C1007-L1032 HydrophobicContact CB-CD1 3.57Å; T1008-L1032 HydrophobicContact CG2-CB 3.79Å; T1008-L1032 HydrophobicContact CG2-CD1 3.95Å; S1030-L1032 PolarHBondContact O-N 2.61Å; S1030-L1032 PolarHBondContact OG-N 2.68Å; L1032-L1035 HydrophobicContact CD2-CD2 4.5Å; L1032-L1035 PolarHBondContact O-N 2.92Å; L1032-L1036 HydrophobicContact CB-CD1 4.38Å; L1032-L1036 PolarHBondContact O-N 3.14Å |
| 1033 | G | 89.5 | Confident | 88.7 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -54 | -53.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1030 L1035 L1036 A1037 | S1030-G1033 PolarHBondContact O-N 3.45Å; G1033-L1035 VanDerWaalsContact C-N 3.34Å; G1033-L1035 PolarHBondContact O-N 3.24Å; G1033-L1036 PolarHBondContact O-N 3.11Å; G1033-A1037 WeakPolarHBondContact O-CB 3.48Å; G1033-A1037 PolarHBondContact O-N 3.17Å |
| 1034 | P | 90.2 | Very high | 88.9 | Confident | 49 Ų | 49 | 13.8 Ų | 13.8 | 32% | 0.318 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -61.4 | -39 | 177.4 | -24.9 | 35 | 0 | 0 | 0 | 113.4 | F970 S1030 A1037 E1038 M1062 | F970-P1034 HydrophobicContact CE1-CG 4.28Å; S1030-P1034 VanDerWaalsContact O-CD 3.29Å; S1030-P1034 WeakPolarHBondContact O-CD 3.43Å; P1034-A1037 PolarHBondContact O-N 2.97Å; P1034-E1038 WeakPolarHBondContact O-CG 3.27Å; P1034-E1038 PolarHBondContact O-N 3.49Å; P1034-M1062 HydrophobicContact CB-CE 3.83Å; P1034-M1062 HydrophobicContact CB-SD 4.01Å |
| 1035 | L | 91.3 | Very high | 89.2 | Confident | 7 Ų | 7 | 11.5 Ų | 11.5 | 4% | 0.037 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.1 | -45.4 | 179.5 | -177 | 151 | 0 | 0 | 0 | 111.1 | V384 L387 R391 L1032 G1033 E1038 V1039 | V384-L1035 HydrophobicContact CB-CD1 4.49Å; V384-L1035 HydrophobicContact CG1-CD1 4.43Å; V384-L1035 HydrophobicContact CG2-CD1 4.2Å; L387-L1035 HydrophobicContact CB-CD1 3.82Å; L387-L1035 HydrophobicContact CD1-CD2 4.42Å; R391-L1035 HydrophobicContact CG-CG 4.4Å; L1032-L1035 HydrophobicContact CD2-CD2 4.5Å; L1032-L1035 PolarHBondContact O-N 2.92Å; G1033-L1035 VanDerWaalsContact C-N 3.34Å; G1033-L1035 PolarHBondContact O-N 3.24Å; L1035-E1038 PolarHBondContact O-N 2.71Å; L1035-V1039 HydrophobicContact CD2-CG2 4.13Å; L1035-V1039 WeakPolarHBondContact O-CB 3.48Å; L1035-V1039 VanDerWaalsContact O-CG2 3.22Å; L1035-V1039 WeakPolarHBondContact O-CG2 3.24Å; L1035-V1039 PolarHBondContact O-N 3.15Å |
| 1036 | L | 92.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -70.4 | -35.2 | 178.4 | -67.7 | 176.3 | 0 | 0 | 0 | 112.2 | L975 T978 V979 T1008 V1026 L1032 G1033 V1039 F1040 | L975-L1036 HydrophobicContact CD1-CD1 3.77Å; T978-L1036 HydrophobicContact CG2-CB 4.33Å; T978-L1036 HydrophobicContact CG2-CD2 4.28Å; T978-L1036 WeakPolarHBondContact CG2-O 3.33Å; V979-L1036 HydrophobicContact CG2-CD2 4.31Å; T1008-L1036 HydrophobicContact CG2-CD1 3.8Å; V1026-L1036 HydrophobicContact CG1-CB 4.14Å; V1026-L1036 HydrophobicContact CG1-CD1 3.97Å; L1032-L1036 HydrophobicContact CB-CD1 4.38Å; L1032-L1036 PolarHBondContact O-N 3.14Å; G1033-L1036 PolarHBondContact O-N 3.11Å; L1036-V1039 PolarHBondContact O-N 3.05Å; L1036-F1040 WeakPolarHBondContact O-CB 3.42Å; L1036-F1040 PolarHBondContact O-N 2.6Å |
| 1037 | A | 90.8 | Very high | 89 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.6 | -41.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L969 F970 V973 G1033 P1034 M1041 | L969-A1037 HydrophobicContact CD2-CB 4.1Å; L969-A1037 HydrophobicContact CG-CB 4.2Å; F970-A1037 HydrophobicContact CD1-CB 4.46Å; F970-A1037 HydrophobicContact CE1-CB 4.26Å; V973-A1037 HydrophobicContact CG2-CB 4.24Å; G1033-A1037 WeakPolarHBondContact O-CB 3.48Å; G1033-A1037 PolarHBondContact O-N 3.17Å; P1034-A1037 PolarHBondContact O-N 2.97Å; A1037-M1041 WeakPolarHBondContact O-CG 3.49Å; A1037-M1041 PolarHBondContact O-N 2.86Å |
| 1038 | E | 90.3 | Very high | 88.9 | Confident | 5 Ų | 5 | 18.4 Ų | 18.4 | 2% | 0.023 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.2 | -41 | 173.5 | -74.3 | -179.5 | 114.3 | 0 | 0 | 113.2 | R391 S398 P1034 L1035 M1041 S1042 R1060 M1062 | R391-E1038 VanDerWaalsContact CD-OE2 3.3Å; R391-E1038 WeakPolarHBondContact CD-OE2 3.1Å; R391-E1038 IonicContact CZ-OE2 2.68Å; R391-E1038 IonicContact NE-OE2 3.06Å; R391-E1038 IonicContact NH1-OE1 2.76Å; R391-E1038 PolarHBondContact NH1-OE1 2.68Å; R391-E1038 IonicContact NH1-OE2 3.68Å; R391-E1038 PolarHBondContact NH1-OE2 3.39Å; S398-E1038 WeakPolarHBondContact CB-OE1 3.33Å; S398-E1038 PolarHBondContact OG-OE1 2.89Å; P1034-E1038 WeakPolarHBondContact O-CG 3.27Å; P1034-E1038 PolarHBondContact O-N 3.49Å; L1035-E1038 PolarHBondContact O-N 2.71Å; E1038-M1041 PolarHBondContact O-N 3.29Å; E1038-S1042 WeakPolarHBondContact O-CB 3.4Å; E1038-S1042 PolarHBondContact O-N 3.32Å; E1038-R1060 PolarHBondContact O-NH2 2.63Å; E1038-M1062 VanDerWaalsContact CD-CE 3.41Å; E1038-M1062 HydrophobicContact CG-CE 3.61Å; E1038-M1062 HydrophobicContact CG-SD 3.78Å |
| 1039 | V | 91.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.3 | -41.9 | 177.7 | 164.6 | 0 | 0 | 0 | 0 | 111.3 | L394 T978 F981 L982 L1035 L1036 S1042 Y1043 | L394-V1039 HydrophobicContact CD2-CG1 4.29Å; L394-V1039 HydrophobicContact CD2-CG2 4.19Å; T978-V1039 HydrophobicContact CG2-CB 4.28Å; T978-V1039 HydrophobicContact CG2-CG1 3.85Å; F981-V1039 HydrophobicContact CD1-CG1 4.08Å; F981-V1039 HydrophobicContact CE1-CG1 4.45Å; L982-V1039 HydrophobicContact CB-CG1 3.93Å; L982-V1039 HydrophobicContact CD1-CG1 4.34Å; L982-V1039 HydrophobicContact CD1-CG2 4.21Å; L982-V1039 HydrophobicContact CD2-CG1 4.48Å; L982-V1039 HydrophobicContact CD2-CG2 4.47Å; L982-V1039 HydrophobicContact CG-CG1 4.48Å; L1035-V1039 HydrophobicContact CD2-CG2 4.13Å; L1035-V1039 WeakPolarHBondContact O-CB 3.48Å; L1035-V1039 VanDerWaalsContact O-CG2 3.22Å; L1035-V1039 WeakPolarHBondContact O-CG2 3.24Å; L1035-V1039 PolarHBondContact O-N 3.15Å; L1036-V1039 PolarHBondContact O-N 3.05Å; V1039-S1042 CarbonylContact O-C 3.56Å; V1039-S1042 WeakPolarHBondContact O-CA 3.43Å; V1039-S1042 WeakPolarHBondContact O-CB 3.44Å; V1039-S1042 PolarHBondContact O-N 2.7Å; V1039-Y1043 PolarHBondContact O-N 2.8Å |
| 1040 | F | 91.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.8 | -46.6 | 174.8 | 174.7 | -96.3 | 0 | 0 | 0 | 111.6 | V973 P974 T978 L1036 S1042 Y1043 V1044 Q1086 I1089 | V973-F1040 HydrophobicContact CG1-CB 3.88Å; V973-F1040 HydrophobicContact CG1-CG 4.26Å; V973-F1040 HydrophobicContact CG2-CB 4.45Å; P974-F1040 VanDerWaalsContact CD-CE2 3.43Å; P974-F1040 HydrophobicContact CG-CD2 3.65Å; P974-F1040 HydrophobicContact CG-CE2 3.3Å; P974-F1040 HydrophobicContact CG-CZ 4.08Å; T978-F1040 HydrophobicContact CG2-CB 3.78Å; T978-F1040 WeakPolarHBondContact OG1-CD2 3.44Å; L1036-F1040 WeakPolarHBondContact O-CB 3.42Å; L1036-F1040 PolarHBondContact O-N 2.6Å; F1040-S1042 PolarHBondContact O-N 3.04Å; F1040-Y1043 HydrophobicContact CD2-CD1 4.13Å; F1040-Y1043 AromaticContact CE2-CD1 3.7Å; F1040-Y1043 HydrophobicContact CE2-CD1 3.7Å; F1040-Y1043 HydrophobicContact CE2-CE1 4.17Å; F1040-Y1043 HydrophobicContact CZ-CD1 4.4Å; F1040-Y1043 WeakPolarHBondContact O-CA 3.48Å; F1040-Y1043 VanDerWaalsContact O-CB 3.27Å; F1040-Y1043 WeakPolarHBondContact O-CB 3.48Å; F1040-Y1043 PolarHBondContact O-N 3.02Å; F1040-V1044 HydrophobicContact CD1-CG2 4.25Å; F1040-V1044 HydrophobicContact CE1-CG2 3.39Å; F1040-V1044 HydrophobicContact CE2-CG2 4.14Å; F1040-V1044 HydrophobicContact CZ-CG2 3.34Å; F1040-V1044 PolarHBondContact O-N 2.92Å; F1040-Q1086 HydrophobicContact CZ-CB 4.13Å; F1040-Q1086 HydrophobicContact CZ-CG 4.49Å; F1040-I1089 HydrophobicContact CD1-CD1 3.74Å; F1040-I1089 HydrophobicContact CE1-CD1 3.18Å; F1040-I1089 HydrophobicContact CE1-CG1 4.48Å; F1040-I1089 HydrophobicContact CZ-CD1 3.84Å |
| 1041 | M | 91.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.3 | -29.1 | 175.2 | -71.2 | -59.6 | -62.6 | 0 | 0 | 111.7 | V966 L969 A1037 E1038 V1044 E1045 I1065 M1091 | V966-M1041 HydrophobicContact CG2-CE 3.96Å; V966-M1041 HydrophobicContact CG2-SD 4.16Å; L969-M1041 HydrophobicContact CD1-CG 3.94Å; L969-M1041 HydrophobicContact CD1-SD 3.98Å; L969-M1041 HydrophobicContact CD2-CG 4.32Å; A1037-M1041 WeakPolarHBondContact O-CG 3.49Å; A1037-M1041 PolarHBondContact O-N 2.86Å; E1038-M1041 PolarHBondContact O-N 3.29Å; M1041-V1044 PolarHBondContact O-N 3.44Å; M1041-E1045 WeakPolarHBondContact O-CB 3.28Å; M1041-E1045 VanDerWaalsContact O-CD 3.25Å; M1041-E1045 WeakPolarHBondContact O-CG 3.45Å; M1041-E1045 PolarHBondContact O-N 2.83Å; M1041-I1065 HydrophobicContact CE-CD1 3.78Å; M1041-M1091 HydrophobicContact CE-CE 3.78Å; M1041-M1091 HydrophobicContact SD-CE 4.49Å |
| 1042 | S | 88.7 | Confident | 87.9 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.007 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -71.2 | -25.1 | 170.6 | -170.4 | 0 | 0 | 0 | 0 | 114 | L394 E1038 V1039 F1040 E1045 N1046 | L394-S1042 PolarHBondContact O-OG 3.33Å; L394-S1042 VanDerWaalsContact O-OG 3.09Å; E1038-S1042 WeakPolarHBondContact O-CB 3.4Å; E1038-S1042 PolarHBondContact O-N 3.32Å; V1039-S1042 CarbonylContact O-C 3.56Å; V1039-S1042 WeakPolarHBondContact O-CA 3.43Å; V1039-S1042 WeakPolarHBondContact O-CB 3.44Å; V1039-S1042 PolarHBondContact O-N 2.7Å; F1040-S1042 PolarHBondContact O-N 3.04Å; S1042-E1045 WeakPolarHBondContact CA-OE2 3.29Å; S1042-N1046 WeakPolarHBondContact O-CB 3.27Å; S1042-N1046 VanDerWaalsContact O-CG 3.27Å; S1042-N1046 PolarHBondContact O-N 3.25Å; S1042-N1046 VanDerWaalsContact O-N 3.16Å |
| 1043 | Y | 91 | Very high | 87.1 | Confident | 47 Ų | 47 | 25.3 Ų | 25.3 | 18% | 0.184 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.1 | -48.5 | 167.6 | 162.5 | -103.7 | 0 | 0 | 0 | 110.2 | F981 V1039 F1040 E1045 N1046 M1047 V1085 | F981-Y1043 HydrophobicContact CB-CD2 4.33Å; F981-Y1043 AromaticContact CD2-CD2 3.71Å; F981-Y1043 HydrophobicContact CD2-CD2 3.71Å; F981-Y1043 HydrophobicContact CD2-CG 4.42Å; F981-Y1043 HydrophobicContact CE2-CD2 4.09Å; F981-Y1043 AromaticContact CG-CD2 3.97Å; F981-Y1043 HydrophobicContact CG-CD2 3.97Å; F981-Y1043 HydrophobicContact CG-CG 4.33Å; V1039-Y1043 PolarHBondContact O-N 2.8Å; F1040-Y1043 HydrophobicContact CD2-CD1 4.13Å; F1040-Y1043 AromaticContact CE2-CD1 3.7Å; F1040-Y1043 HydrophobicContact CE2-CD1 3.7Å; F1040-Y1043 HydrophobicContact CE2-CE1 4.17Å; F1040-Y1043 HydrophobicContact CZ-CD1 4.4Å; F1040-Y1043 WeakPolarHBondContact O-CA 3.48Å; F1040-Y1043 VanDerWaalsContact O-CB 3.27Å; F1040-Y1043 WeakPolarHBondContact O-CB 3.48Å; F1040-Y1043 PolarHBondContact O-N 3.02Å; Y1043-E1045 PolarHBondContact O-N 2.83Å; Y1043-N1046 PolarHBondContact O-N 3.01Å; Y1043-N1046 VanDerWaalsContact O-N 3.14Å; Y1043-M1047 HydrophobicContact CD2-CG 4.08Å; Y1043-M1047 HydrophobicContact CE1-CG 4.31Å; Y1043-M1047 HydrophobicContact CE2-CE 4.41Å; Y1043-M1047 HydrophobicContact CE2-CG 3.7Å; Y1043-M1047 HydrophobicContact CE2-SD 3.93Å; Y1043-M1047 WeakPolarHBondContact O-CG 3.45Å; Y1043-M1047 PolarHBondContact O-N 2.76Å; Y1043-V1085 HydrophobicContact CD1-CG1 4.42Å; Y1043-V1085 HydrophobicContact CE1-CG1 3.8Å |
| 1044 | V | 89.4 | Confident | 86.6 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.1 | -47.2 | 175.2 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | F1040 M1041 N1046 M1047 T1048 L1082 V1085 M1091 | F1040-V1044 HydrophobicContact CD1-CG2 4.25Å; F1040-V1044 HydrophobicContact CE1-CG2 3.39Å; F1040-V1044 HydrophobicContact CE2-CG2 4.14Å; F1040-V1044 HydrophobicContact CZ-CG2 3.34Å; F1040-V1044 PolarHBondContact O-N 2.92Å; M1041-V1044 PolarHBondContact O-N 3.44Å; V1044-N1046 VanDerWaalsContact C-N 3.27Å; V1044-N1046 PolarHBondContact O-N 2.89Å; V1044-M1047 PolarHBondContact O-N 2.87Å; V1044-T1048 PolarHBondContact O-N 3.03Å; V1044-T1048 PolarHBondContact O-OG1 3.01Å; V1044-T1048 VanDerWaalsContact O-OG1 3.12Å; V1044-L1082 HydrophobicContact CG1-CD2 3.56Å; V1044-V1085 HydrophobicContact CG1-CB 4.38Å; V1044-V1085 HydrophobicContact CG1-CG2 4.14Å; V1044-V1085 HydrophobicContact CG2-CB 4.31Å; V1044-V1085 HydrophobicContact CG2-CG1 4.07Å; V1044-M1091 HydrophobicContact CG1-CE 4.26Å |
| 1045 | E | 89.8 | Confident | 86 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.5 | -35 | 176.1 | -74.4 | 158.1 | 179.1 | 0 | 0 | 113.1 | F397 M1041 S1042 Y1043 T1048 S1049 I1052 Y1058 R1060 | F397-E1045 HydrophobicContact CD2-CB 4.01Å; F397-E1045 HydrophobicContact CD2-CG 4Å; F397-E1045 HydrophobicContact CE2-CB 4.21Å; M1041-E1045 WeakPolarHBondContact O-CB 3.28Å; M1041-E1045 VanDerWaalsContact O-CD 3.25Å; M1041-E1045 WeakPolarHBondContact O-CG 3.45Å; M1041-E1045 PolarHBondContact O-N 2.83Å; S1042-E1045 WeakPolarHBondContact CA-OE2 3.29Å; Y1043-E1045 PolarHBondContact O-N 2.83Å; E1045-T1048 CarbonylContact O-C 3.55Å; E1045-S1049 WeakPolarHBondContact O-CA 3.42Å; E1045-S1049 PolarHBondContact O-N 3.12Å; E1045-S1049 VanDerWaalsContact O-N 3.15Å; E1045-I1052 HydrophobicContact CB-CD1 4.07Å; E1045-I1052 HydrophobicContact CG-CD1 4Å; E1045-Y1058 HydrophobicContact CG-CE1 3.74Å; E1045-Y1058 WeakPolarHBondContact OE1-CE1 3.2Å; E1045-R1060 IonicContact OE1-CZ 2.66Å; E1045-R1060 IonicContact OE1-NE 3.58Å; E1045-R1060 PolarHBondContact OE1-NE 3.14Å; E1045-R1060 IonicContact OE1-NH2 3.83Å; E1045-R1060 PolarHBondContact OE1-NH2 3.45Å; E1045-R1060 VanDerWaalsContact OE1-NH2 3.09Å; E1045-R1060 IonicContact OE2-NH2 3.27Å; E1045-R1060 PolarHBondContact OE2-NH2 3.46Å; E1045-R1060 VanDerWaalsContact OE2-NH2 3.15Å |
| 1046 | N | 85.8 | Confident | 85 | Confident | 55 Ų | 55 | 31.2 Ų | 31.2 | 29% | 0.294 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -79.2 | -27.9 | 175.2 | -77 | -9 | 0 | 0 | 0 | 113 | F981 S1042 Y1043 V1044 T1048 S1049 | F981-N1046 WeakPolarHBondContact CZ-ND2 3.42Å; S1042-N1046 WeakPolarHBondContact O-CB 3.27Å; S1042-N1046 VanDerWaalsContact O-CG 3.27Å; S1042-N1046 PolarHBondContact O-N 3.25Å; S1042-N1046 VanDerWaalsContact O-N 3.16Å; Y1043-N1046 PolarHBondContact O-N 3.01Å; Y1043-N1046 VanDerWaalsContact O-N 3.14Å; V1044-N1046 VanDerWaalsContact C-N 3.27Å; V1044-N1046 PolarHBondContact O-N 2.89Å; N1046-T1048 VanDerWaalsContact C-N 3.26Å; N1046-S1049 PolarHBondContact O-OG 2.94Å |
| 1047 | M | 86.5 | Confident | 84.3 | Confident | 94 Ų | 94 | 32.3 Ų | 32.3 | 46% | 0.463 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -77.8 | -11.1 | 172.9 | -64.7 | -63.8 | 94.5 | 0 | 0 | 113 | Y1043 V1044 V1085 | Y1043-M1047 HydrophobicContact CD2-CG 4.08Å; Y1043-M1047 HydrophobicContact CE1-CG 4.31Å; Y1043-M1047 HydrophobicContact CE2-CE 4.41Å; Y1043-M1047 HydrophobicContact CE2-CG 3.7Å; Y1043-M1047 HydrophobicContact CE2-SD 3.93Å; Y1043-M1047 WeakPolarHBondContact O-CG 3.45Å; Y1043-M1047 PolarHBondContact O-N 2.76Å; V1044-M1047 PolarHBondContact O-N 2.87Å; M1047-V1085 HydrophobicContact CB-CG1 3.98Å; M1047-V1085 HydrophobicContact CB-CG2 4.1Å; M1047-V1085 HydrophobicContact CG-CG1 4.05Å |
| 1048 | T | 84.5 | Confident | 84.1 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | 24.5 | 176.3 | 66.5 | 0 | 0 | 0 | 0 | 112.5 | V1044 E1045 N1046 D1050 L1051 I1052 K1081 L1082 V1085 | V1044-T1048 PolarHBondContact O-N 3.03Å; V1044-T1048 PolarHBondContact O-OG1 3.01Å; V1044-T1048 VanDerWaalsContact O-OG1 3.12Å; E1045-T1048 CarbonylContact O-C 3.55Å; N1046-T1048 VanDerWaalsContact C-N 3.26Å; T1048-D1050 PolarHBondContact O-N 3.17Å; T1048-D1050 VanDerWaalsContact O-N 3.08Å; T1048-L1051 PolarHBondContact O-N 3.07Å; T1048-I1052 WeakPolarHBondContact O-CG1 3.3Å; T1048-I1052 PolarHBondContact O-N 2.91Å; T1048-I1052 VanDerWaalsContact OG1-CD1 3.25Å; T1048-I1052 WeakPolarHBondContact OG1-CD1 2.93Å; T1048-K1081 HydrophobicContact CG2-CG 4.03Å; T1048-L1082 HydrophobicContact CG2-CD2 3.87Å; T1048-L1082 HydrophobicContact CG2-CG 4.33Å; T1048-L1082 WeakPolarHBondContact OG1-CD2 3.39Å; T1048-V1085 HydrophobicContact CG2-CG2 3.82Å |
| 1049 | S | 79.4 | Confident | 84 | Confident | 56 Ų | 56 | 34.1 Ų | 34.1 | 39% | 0.392 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -51 | -36.7 | -173.9 | 46.2 | 0 | 0 | 0 | 0 | 113.8 | E1045 N1046 I1052 G1053 | E1045-S1049 WeakPolarHBondContact O-CA 3.42Å; E1045-S1049 PolarHBondContact O-N 3.12Å; E1045-S1049 VanDerWaalsContact O-N 3.15Å; N1046-S1049 PolarHBondContact O-OG 2.94Å; S1049-I1052 PolarHBondContact O-N 2.78Å; S1049-G1053 PolarHBondContact O-N 2.77Å |
| 1050 | D | 80.7 | Confident | 83.8 | Confident | 125 Ų | 125 | 34.1 Ų | 34.1 | 67% | 0.668 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -74.8 | -50.8 | -167.9 | -43.7 | -20.2 | 0 | 0 | 0 | 109.9 | T1048 I1052 G1053 E1054 | T1048-D1050 PolarHBondContact O-N 3.17Å; T1048-D1050 VanDerWaalsContact O-N 3.08Å; D1050-I1052 VanDerWaalsContact C-N 3.32Å; D1050-I1052 PolarHBondContact O-N 2.83Å; D1050-G1053 WeakPolarHBondContact O-CA 3.42Å; D1050-G1053 PolarHBondContact O-N 2.85Å; D1050-G1053 VanDerWaalsContact O-N 3.09Å; D1050-E1054 PolarHBondContact O-N 3.45Å |
| 1051 | L | 78.9 | Confident | 83.6 | Confident | 18 Ų | 18 | 37.7 Ų | 37.7 | 9% | 0.094 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.4 | -31.3 | 173.5 | -72.5 | 157.3 | 0 | 0 | 0 | 112.3 | T1048 G1053 E1054 F1073 R1077 L1078 K1081 | T1048-L1051 PolarHBondContact O-N 3.07Å; L1051-G1053 VanDerWaalsContact C-N 3.34Å; L1051-E1054 PolarHBondContact O-N 3.35Å; L1051-F1073 HydrophobicContact CD2-CE2 4.43Å; L1051-R1077 HydrophobicContact CD2-CG 4.39Å; L1051-L1078 HydrophobicContact CB-CD1 3.84Å; L1051-K1081 HydrophobicContact CD1-CB 3.83Å; L1051-K1081 HydrophobicContact CD1-CG 3.69Å |
| 1052 | I | 82.6 | Confident | 83.3 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.6 | -36.6 | 171.4 | -71.4 | 177.9 | 0 | 0 | 0 | 110.6 | F397 E1045 T1048 S1049 D1050 E1054 T1055 Y1058 L1078 | F397-I1052 HydrophobicContact CE1-CG2 4.01Å; F397-I1052 HydrophobicContact CE2-CG2 4.04Å; F397-I1052 HydrophobicContact CZ-CG2 3.59Å; E1045-I1052 HydrophobicContact CB-CD1 4.07Å; E1045-I1052 HydrophobicContact CG-CD1 4Å; T1048-I1052 WeakPolarHBondContact O-CG1 3.3Å; T1048-I1052 PolarHBondContact O-N 2.91Å; T1048-I1052 VanDerWaalsContact OG1-CD1 3.25Å; T1048-I1052 WeakPolarHBondContact OG1-CD1 2.93Å; S1049-I1052 PolarHBondContact O-N 2.78Å; D1050-I1052 VanDerWaalsContact C-N 3.32Å; D1050-I1052 PolarHBondContact O-N 2.83Å; I1052-E1054 VanDerWaalsContact C-N 3.32Å; I1052-E1054 PolarHBondContact O-N 3.31Å; I1052-T1055 WeakPolarHBondContact O-CB 3.45Å; I1052-T1055 PolarHBondContact O-N 3.01Å; I1052-T1055 PolarHBondContact O-OG1 2.99Å; I1052-Y1058 HydrophobicContact CD1-CD1 4.41Å; I1052-Y1058 HydrophobicContact CD1-CD2 4.23Å; I1052-Y1058 HydrophobicContact CD1-CE1 4.09Å; I1052-Y1058 HydrophobicContact CD1-CE2 3.87Å; I1052-Y1058 HydrophobicContact CD1-CG 4.48Å; I1052-Y1058 HydrophobicContact CG1-CD2 4.03Å; I1052-Y1058 HydrophobicContact CG1-CE2 4.04Å; I1052-Y1058 HydrophobicContact CG1-CG 4.43Å; I1052-Y1058 HydrophobicContact CG2-CD1 4.16Å; I1052-Y1058 HydrophobicContact CG2-CD2 4.26Å; I1052-Y1058 HydrophobicContact CG2-CG 3.86Å; I1052-L1078 HydrophobicContact CG1-CD1 4.19Å |
| 1053 | G | 73.1 | Confident | 83.1 | Confident | 63 Ų | 63 | 40.2 Ų | 40.2 | 65% | 0.649 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -67 | -27.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1049 D1050 L1051 T1055 | S1049-G1053 PolarHBondContact O-N 2.77Å; D1050-G1053 WeakPolarHBondContact O-CA 3.42Å; D1050-G1053 PolarHBondContact O-N 2.85Å; D1050-G1053 VanDerWaalsContact O-N 3.09Å; L1051-G1053 VanDerWaalsContact C-N 3.34Å; G1053-T1055 PolarHBondContact O-N 3.27Å |
| 1054 | E | 79.8 | Confident | 82.9 | Confident | 107 Ų | 107 | 40 Ų | 40 | 50% | 0.5 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -20 | 168.9 | -69.4 | 178.3 | -137.8 | 0 | 0 | 112.8 | D1050 L1051 I1052 F1073 | D1050-E1054 PolarHBondContact O-N 3.45Å; L1051-E1054 PolarHBondContact O-N 3.35Å; I1052-E1054 VanDerWaalsContact C-N 3.32Å; I1052-E1054 PolarHBondContact O-N 3.31Å; E1054-F1073 HydrophobicContact CB-CD2 3.94Å; E1054-F1073 HydrophobicContact CB-CE2 3.52Å; E1054-F1073 HydrophobicContact CG-CE2 4.44Å; E1054-F1073 WeakPolarHBondContact OE2-CE2 3.34Å |
| 1055 | T | 76.7 | Confident | 82.9 | Confident | 17 Ų | 17 | 39.9 Ų | 39.9 | 10% | 0.104 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -75.9 | 156 | 175.8 | 79.1 | 0 | 0 | 0 | 0 | 112.2 | I1052 G1053 I1067 C1069 F1073 L1078 | I1052-T1055 WeakPolarHBondContact O-CB 3.45Å; I1052-T1055 PolarHBondContact O-N 3.01Å; I1052-T1055 PolarHBondContact O-OG1 2.99Å; G1053-T1055 PolarHBondContact O-N 3.27Å; T1055-I1067 HydrophobicContact CG2-CG2 4.03Å; T1055-C1069 HydrophobicContact CG2-CB 4.39Å; T1055-F1073 HydrophobicContact CG2-CE1 4.16Å; T1055-F1073 HydrophobicContact CG2-CZ 4.1Å; T1055-L1078 HydrophobicContact CG2-CD2 4.01Å |
| 1056 | T | 69.9 | Low | 82.7 | Confident | 56 Ų | 56 | 39.9 Ų | 39.9 | 34% | 0.344 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -83.8 | -34.5 | 175.5 | -65.9 | 0 | 0 | 0 | 0 | 112.9 | K959 I1068 | K959-T1056 HydrophobicContact CD-CG2 3.71Å; K959-T1056 WeakPolarHBondContact CD-OG1 3.37Å; K959-T1056 WeakPolarHBondContact CE-OG1 3.3Å; K959-T1056 VanDerWaalsContact NZ-CG2 3.26Å; K959-T1056 PolarHBondContact NZ-OG1 3Å; T1056-I1068 WeakPolarHBondContact CA-O 3.17Å; T1056-I1068 WeakPolarHBondContact CB-O 2.88Å; T1056-I1068 PolarHBondContact N-O 2.9Å |
| 1057 | L | 77.6 | Confident | 82.7 | Confident | 22 Ų | 22 | 37.2 Ų | 37.2 | 12% | 0.115 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 122.2 | 172.9 | -176.5 | 72.5 | 0 | 0 | 0 | 108.6 | L409 R1059 I1068 | L409-L1057 HydrophobicContact CD2-CD2 3.73Å; L1057-R1059 HydrophobicContact CD1-CG 4.03Å; L1057-R1059 HydrophobicContact CG-CG 4.21Å; L1057-I1068 HydrophobicContact CB-CB 4.04Å; L1057-I1068 HydrophobicContact CB-CD1 4.19Å; L1057-I1068 HydrophobicContact CB-CG1 4.08Å; L1057-I1068 HydrophobicContact CD2-CD1 3.85Å; L1057-I1068 HydrophobicContact CD2-CG1 4.36Å; L1057-I1068 PolarHBondContact N-O 2.87Å; L1057-I1068 PolarHBondContact O-N 2.88Å |
| 1058 | Y | 86.1 | Confident | 82.4 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 126.4 | 167.9 | -177.8 | -79.4 | 0 | 0 | 0 | 107.7 | F397 E1045 I1052 I1065 I1067 | F397-Y1058 HydrophobicContact CB-CD1 3.77Å; F397-Y1058 HydrophobicContact CB-CE1 3.99Å; F397-Y1058 AromaticContact CD1-CD1 3.85Å; F397-Y1058 HydrophobicContact CD1-CD1 3.85Å; F397-Y1058 WeakPolarHBondContact CD1-O 3.36Å; F397-Y1058 HydrophobicContact CD2-CD1 4.13Å; F397-Y1058 HydrophobicContact CD2-CE1 4.28Å; F397-Y1058 HydrophobicContact CE1-CD1 4.46Å; F397-Y1058 AromaticContact CG-CD1 3.65Å; F397-Y1058 HydrophobicContact CG-CD1 3.65Å; F397-Y1058 HydrophobicContact CG-CE1 4.1Å; E1045-Y1058 HydrophobicContact CG-CE1 3.74Å; E1045-Y1058 WeakPolarHBondContact OE1-CE1 3.2Å; I1052-Y1058 HydrophobicContact CD1-CD1 4.41Å; I1052-Y1058 HydrophobicContact CD1-CD2 4.23Å; I1052-Y1058 HydrophobicContact CD1-CE1 4.09Å; I1052-Y1058 HydrophobicContact CD1-CE2 3.87Å; I1052-Y1058 HydrophobicContact CD1-CG 4.48Å; I1052-Y1058 HydrophobicContact CG1-CD2 4.03Å; I1052-Y1058 HydrophobicContact CG1-CE2 4.04Å; I1052-Y1058 HydrophobicContact CG1-CG 4.43Å; I1052-Y1058 HydrophobicContact CG2-CD1 4.16Å; I1052-Y1058 HydrophobicContact CG2-CD2 4.26Å; I1052-Y1058 HydrophobicContact CG2-CG 3.86Å; Y1058-I1065 HydrophobicContact CD2-CG2 4.33Å; Y1058-I1065 HydrophobicContact CE1-CG2 4.29Å; Y1058-I1065 HydrophobicContact CE2-CG2 3.71Å; Y1058-I1067 HydrophobicContact CD2-CD1 3.94Å; Y1058-I1067 HydrophobicContact CD2-CG1 3.86Å; Y1058-I1067 HydrophobicContact CE2-CD1 3.95Å; Y1058-I1067 HydrophobicContact CE2-CG1 4.2Å |
| 1059 | R | 88.2 | Confident | 82.1 | Confident | 41 Ų | 41 | 32.7 Ų | 32.7 | 16% | 0.155 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 145.2 | 177 | -75.8 | -61.2 | -177.3 | -83.9 | 6.3 | 110.3 | F397 L399 L1057 L1066 | F397-R1059 WeakPolarHBondContact O-CA 3.26Å; F397-R1059 VanDerWaalsContact O-CD 3.26Å; F397-R1059 WeakPolarHBondContact O-CD 2.87Å; L399-R1059 HydrophobicContact CD1-CB 4.02Å; L399-R1059 HydrophobicContact CD2-CB 4.35Å; L399-R1059 HydrophobicContact CD2-CG 4.37Å; L399-R1059 HydrophobicContact CG-CB 4.25Å; L1057-R1059 HydrophobicContact CD1-CG 4.03Å; L1057-R1059 HydrophobicContact CG-CG 4.21Å; R1059-L1066 PolarHBondContact N-O 2.89Å; R1059-L1066 PolarHBondContact O-N 3.24Å |
| 1060 | R | 89.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 142.8 | -175.5 | 176.1 | 175.8 | 54.5 | 76.3 | 1.9 | 111.9 | F397 S398 L399 E1038 E1045 M1062 D1064 I1065 | F397-R1060 PolarHBondContact O-N 3.47Å; S398-R1060 CarbonylContact C-O 3.58Å; S398-R1060 VanDerWaalsContact CA-O 3.32Å; S398-R1060 WeakPolarHBondContact CA-O 2.95Å; L399-R1060 WeakPolarHBondContact CB-O 2.95Å; L399-R1060 WeakPolarHBondContact CG-O 3.49Å; L399-R1060 PolarHBondContact N-O 3.25Å; E1038-R1060 PolarHBondContact O-NH2 2.63Å; E1045-R1060 IonicContact OE1-CZ 2.66Å; E1045-R1060 IonicContact OE1-NE 3.58Å; E1045-R1060 PolarHBondContact OE1-NE 3.14Å; E1045-R1060 IonicContact OE1-NH2 3.83Å; E1045-R1060 PolarHBondContact OE1-NH2 3.45Å; E1045-R1060 VanDerWaalsContact OE1-NH2 3.09Å; E1045-R1060 IonicContact OE2-NH2 3.27Å; E1045-R1060 PolarHBondContact OE2-NH2 3.46Å; E1045-R1060 VanDerWaalsContact OE2-NH2 3.15Å; R1060-M1062 VanDerWaalsContact CD-O 3.25Å; R1060-M1062 WeakPolarHBondContact CD-O 3.41Å; R1060-M1062 WeakPolarHBondContact CG-O 3.27Å; R1060-M1062 PolarHBondContact NH1-O 3.07Å; R1060-D1064 CarbonylContact C-O 3.56Å; R1060-D1064 WeakPolarHBondContact CA-O 3.38Å; R1060-I1065 HydrophobicContact CB-CG1 4.4Å; R1060-I1065 HydrophobicContact CB-CG2 4.47Å; R1060-I1065 HydrophobicContact CG-CG1 3.97Å |
| 1061 | Y | 86.6 | Confident | 81.6 | Confident | 75 Ų | 75 | 32.8 Ų | 32.8 | 29% | 0.294 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 101 | 166.1 | 176.5 | -91.2 | 0 | 0 | 0 | 107.6 | L399 K400 D1063 D1064 L1104 | L399-Y1061 HydrophobicContact CB-CD2 4.42Å; L399-Y1061 VanDerWaalsContact O-CD2 3.3Å; L399-Y1061 WeakPolarHBondContact O-CD2 3.41Å; K400-Y1061 WeakPolarHBondContact O-CE2 3.48Å; Y1061-D1063 PolarHBondContact O-N 3.28Å; Y1061-D1064 PolarHBondContact N-O 2.83Å; Y1061-D1064 PolarHBondContact O-N 3.06Å; Y1061-L1104 HydrophobicContact CD1-CD1 4.32Å; Y1061-L1104 HydrophobicContact CD1-CD2 3.32Å; Y1061-L1104 HydrophobicContact CD1-CG 4.46Å; Y1061-L1104 HydrophobicContact CD2-CD1 4.42Å; Y1061-L1104 HydrophobicContact CE1-CD2 4Å; Y1061-L1104 HydrophobicContact CG-CD1 3.95Å; Y1061-L1104 HydrophobicContact CG-CD2 3.78Å |
| 1062 | M | 84.9 | Confident | 81.6 | Confident | 29 Ų | 29 | 40.5 Ų | 40.5 | 14% | 0.143 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | -99.6 | -177.8 | -62 | -68.6 | 155.8 | 0 | 0 | 113.1 | L969 P1034 E1038 R1060 | L969-M1062 WeakPolarHBondContact CD2-O 3.34Å; P1034-M1062 HydrophobicContact CB-CE 3.83Å; P1034-M1062 HydrophobicContact CB-SD 4.01Å; E1038-M1062 VanDerWaalsContact CD-CE 3.41Å; E1038-M1062 HydrophobicContact CG-CE 3.61Å; E1038-M1062 HydrophobicContact CG-SD 3.78Å; R1060-M1062 VanDerWaalsContact CD-O 3.25Å; R1060-M1062 WeakPolarHBondContact CD-O 3.41Å; R1060-M1062 WeakPolarHBondContact CG-O 3.27Å; R1060-M1062 PolarHBondContact NH1-O 3.07Å |
| 1063 | D | 84.2 | Confident | 81.5 | Confident | 26 Ų | 26 | 41.4 Ų | 41.4 | 14% | 0.139 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -32.2 | 178.6 | 35.4 | -3.5 | 0 | 0 | 0 | 113.9 | V966 L969 Y1061 | V966-D1063 HydrophobicContact CB-CB 4.37Å; V966-D1063 PolarHBondContact N-O 2.82Å; L969-D1063 HydrophobicContact CB-CB 4.24Å; L969-D1063 HydrophobicContact CD2-CB 4.05Å; Y1061-D1063 PolarHBondContact O-N 3.28Å |
| 1064 | D | 86.4 | Confident | 82.1 | Confident | 42 Ų | 42 | 42.3 Ų | 42.3 | 23% | 0.225 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 115.4 | 177.6 | -82.3 | -85.1 | 0 | 0 | 0 | 111.9 | R1060 Y1061 F1103 L1104 | R1060-D1064 CarbonylContact C-O 3.56Å; R1060-D1064 WeakPolarHBondContact CA-O 3.38Å; Y1061-D1064 PolarHBondContact N-O 2.83Å; Y1061-D1064 PolarHBondContact O-N 3.06Å; D1064-F1103 HydrophobicContact CB-CE2 3.7Å; D1064-F1103 HydrophobicContact CB-CZ 3.8Å; D1064-F1103 WeakPolarHBondContact O-CZ 3.32Å; D1064-L1104 HydrophobicContact CB-CD2 3.87Å; D1064-L1104 VanDerWaalsContact OD2-CD2 3.25Å; D1064-L1104 WeakPolarHBondContact OD2-CD2 3.34Å |
| 1065 | I | 89.7 | Confident | 82.3 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132.7 | 175.4 | -44.3 | -178.6 | 0 | 0 | 0 | 110.5 | S963 F964 V966 M1041 Y1058 R1060 I1067 M1091 F1103 | S963-I1065 CarbonylContact C-O 3.55Å; S963-I1065 WeakPolarHBondContact CA-O 3.26Å; S963-I1065 VanDerWaalsContact CB-O 3.27Å; S963-I1065 WeakPolarHBondContact CB-O 3.25Å; F964-I1065 HydrophobicContact CB-CB 4.13Å; F964-I1065 HydrophobicContact CB-CD1 4.23Å; F964-I1065 HydrophobicContact CB-CG1 4.37Å; F964-I1065 HydrophobicContact CD2-CD1 4.42Å; F964-I1065 PolarHBondContact N-O 2.95Å; F964-I1065 PolarHBondContact O-N 3.13Å; V966-I1065 HydrophobicContact CG2-CD1 4.42Å; M1041-I1065 HydrophobicContact CE-CD1 3.78Å; Y1058-I1065 HydrophobicContact CD2-CG2 4.33Å; Y1058-I1065 HydrophobicContact CE1-CG2 4.29Å; Y1058-I1065 HydrophobicContact CE2-CG2 3.71Å; R1060-I1065 HydrophobicContact CB-CG1 4.4Å; R1060-I1065 HydrophobicContact CB-CG2 4.47Å; R1060-I1065 HydrophobicContact CG-CG1 3.97Å; I1065-I1067 HydrophobicContact CG2-CD1 4.34Å; I1065-I1067 HydrophobicContact CG2-CG1 4Å; I1065-M1091 HydrophobicContact CD1-CE 4.38Å; I1065-M1091 HydrophobicContact CD1-SD 3.72Å; I1065-F1103 VanDerWaalsContact C-CE2 3.41Å; I1065-F1103 WeakPolarHBondContact O-CE2 3.43Å |
| 1066 | L | 87.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 124.8 | 172.4 | 177.4 | 67 | 0 | 0 | 0 | 110.4 | L405 L961 R1059 L1101 F1103 L1108 | L405-L1066 HydrophobicContact CD1-CD2 3.91Å; L405-L1066 HydrophobicContact CD2-CD2 4.14Å; L961-L1066 HydrophobicContact CD2-CD1 4.23Å; R1059-L1066 PolarHBondContact N-O 2.89Å; R1059-L1066 PolarHBondContact O-N 3.24Å; L1066-L1101 HydrophobicContact CD1-CD2 3.7Å; L1066-F1103 HydrophobicContact CB-CD1 4.45Å; L1066-F1103 HydrophobicContact CB-CD2 4.09Å; L1066-F1103 HydrophobicContact CB-CE1 4.11Å; L1066-F1103 HydrophobicContact CB-CE2 3.72Å; L1066-F1103 HydrophobicContact CB-CG 4.44Å; L1066-F1103 HydrophobicContact CB-CZ 3.72Å; L1066-F1103 HydrophobicContact CD1-CD2 4.49Å; L1066-L1108 HydrophobicContact CD1-CD1 3.71Å; L1066-L1108 HydrophobicContact CD2-CD1 3.81Å; L1066-L1108 HydrophobicContact CG-CD1 4.44Å |
| 1067 | I | 85 | Confident | 83.7 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 133.9 | -180 | -53.8 | -175.1 | 0 | 0 | 0 | 110.4 | H962 F964 T1055 Y1058 I1065 C1069 L1078 | H962-I1067 PolarHBondContact N-O 3.23Å; H962-I1067 PolarHBondContact O-N 3.24Å; F964-I1067 HydrophobicContact CD2-CD1 3.66Å; F964-I1067 HydrophobicContact CE2-CD1 3.29Å; F964-I1067 HydrophobicContact CG-CD1 4.43Å; F964-I1067 HydrophobicContact CZ-CD1 3.81Å; T1055-I1067 HydrophobicContact CG2-CG2 4.03Å; Y1058-I1067 HydrophobicContact CD2-CD1 3.94Å; Y1058-I1067 HydrophobicContact CD2-CG1 3.86Å; Y1058-I1067 HydrophobicContact CE2-CD1 3.95Å; Y1058-I1067 HydrophobicContact CE2-CG1 4.2Å; I1065-I1067 HydrophobicContact CG2-CD1 4.34Å; I1065-I1067 HydrophobicContact CG2-CG1 4Å; I1067-C1069 HydrophobicContact CG2-CB 4.35Å; I1067-L1078 HydrophobicContact CD1-CD2 3.82Å |
| 1068 | I | 80 | Confident | 84.1 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 115.2 | 168.6 | -44.3 | -171.4 | 0 | 0 | 0 | 107.3 | I956 K959 S960 L961 T1056 L1057 I1116 | I956-I1068 HydrophobicContact CB-CG2 4.16Å; I956-I1068 HydrophobicContact CG2-CD1 4.07Å; I956-I1068 HydrophobicContact CG2-CG2 3.79Å; K959-I1068 HydrophobicContact CB-CG2 4.01Å; S960-I1068 WeakPolarHBondContact O-CA 3.01Å; L961-I1068 HydrophobicContact CD2-CD1 4.01Å; L961-I1068 HydrophobicContact CD2-CG1 3.88Å; T1056-I1068 WeakPolarHBondContact CA-O 3.17Å; T1056-I1068 WeakPolarHBondContact CB-O 2.88Å; T1056-I1068 PolarHBondContact N-O 2.9Å; L1057-I1068 HydrophobicContact CB-CB 4.04Å; L1057-I1068 HydrophobicContact CB-CD1 4.19Å; L1057-I1068 HydrophobicContact CB-CG1 4.08Å; L1057-I1068 HydrophobicContact CD2-CD1 3.85Å; L1057-I1068 HydrophobicContact CD2-CG1 4.36Å; L1057-I1068 PolarHBondContact N-O 2.87Å; L1057-I1068 PolarHBondContact O-N 2.88Å; I1068-I1116 HydrophobicContact CD1-CD1 3.81Å |
| 1069 | C | 78.1 | Confident | 84.2 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 173.5 | -177.5 | 55.4 | 0 | 0 | 0 | 0 | 109.5 | K959 S960 T1055 I1067 F1073 V1075 | K959-C1069 CarbonylContact C-O 3.45Å; K959-C1069 WeakPolarHBondContact CA-O 3.47Å; K959-C1069 WeakPolarHBondContact CB-O 3.36Å; S960-C1069 PolarHBondContact N-O 3.37Å; S960-C1069 PolarHBondContact O-N 3.14Å; S960-C1069 PolarHBondContact OG-SG 2.79Å; T1055-C1069 HydrophobicContact CG2-CB 4.39Å; I1067-C1069 HydrophobicContact CG2-CB 4.35Å; C1069-F1073 HydrophobicContact CB-CB 3.87Å; C1069-F1073 HydrophobicContact CB-CD1 3.44Å; C1069-F1073 VanDerWaalsContact CB-CD1 3.44Å; C1069-F1073 HydrophobicContact CB-CE1 4.16Å; C1069-F1073 HydrophobicContact CB-CG 3.79Å; C1069-V1075 WeakPolarHBondContact SG-CG2 3.37Å |
| 1070 | D | 75.3 | Confident | 84.2 | Confident | 62 Ų | 62 | 49.8 Ų | 49.8 | 33% | 0.332 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 165.8 | 172.4 | -156.8 | -86.2 | 0 | 0 | 0 | 111.4 | S960 H1072 F1073 | S960-D1070 PolarHBondContact OG-O 3.06Å; D1070-H1072 IonicContact OD1-CD2 2.7Å; D1070-H1072 PolarHBondContact OD1-CD2 2.89Å; D1070-H1072 VanDerWaalsContact OD1-CD2 3.29Å; D1070-H1072 IonicContact OD1-CG 3.54Å; D1070-H1072 PolarHBondContact OD1-N 3.04Å; D1070-F1073 HydrophobicContact CB-CB 4.31Å |
| 1071 | K | 75.5 | Confident | 84 | Confident | 121 Ų | 121 | 54.9 Ų | 54.9 | 53% | 0.526 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -72.9 | -22 | 169.8 | -74.9 | 167.6 | -171.5 | 167.7 | 0 | 112.3 | D958 | D958-K1071 VanDerWaalsContact O-CD 3.31Å; D958-K1071 WeakPolarHBondContact O-CD 3.01Å; D958-K1071 WeakPolarHBondContact O-CE 3.38Å; D958-K1071 VanDerWaalsContact O-CG 3.27Å; D958-K1071 WeakPolarHBondContact O-CG 2.97Å; D958-K1071 IonicContact OD1-NZ 3.78Å |
| 1072 | H | 77.3 | Confident | 84 | Confident | 179 Ų | 179 | 51.4 Ų | 51.4 | 83% | 0.829 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -91.2 | -2.7 | 176.1 | -60.1 | -72.4 | 0 | 0 | 0 | 113.4 | D1070 | D1070-H1072 IonicContact OD1-CD2 2.7Å; D1070-H1072 PolarHBondContact OD1-CD2 2.89Å; D1070-H1072 VanDerWaalsContact OD1-CD2 3.29Å; D1070-H1072 IonicContact OD1-CG 3.54Å; D1070-H1072 PolarHBondContact OD1-N 3.04Å |
| 1073 | F | 80.5 | Confident | 84.1 | Confident | 24 Ų | 24 | 51.8 Ų | 51.8 | 11% | 0.105 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -78 | 130.7 | 174.2 | 177.8 | -97.4 | 0 | 0 | 0 | 110.3 | L1051 E1054 T1055 C1069 D1070 V1075 L1078 | L1051-F1073 HydrophobicContact CD2-CE2 4.43Å; E1054-F1073 HydrophobicContact CB-CD2 3.94Å; E1054-F1073 HydrophobicContact CB-CE2 3.52Å; E1054-F1073 HydrophobicContact CG-CE2 4.44Å; E1054-F1073 WeakPolarHBondContact OE2-CE2 3.34Å; T1055-F1073 HydrophobicContact CG2-CE1 4.16Å; T1055-F1073 HydrophobicContact CG2-CZ 4.1Å; C1069-F1073 HydrophobicContact CB-CB 3.87Å; C1069-F1073 HydrophobicContact CB-CD1 3.44Å; C1069-F1073 VanDerWaalsContact CB-CD1 3.44Å; C1069-F1073 HydrophobicContact CB-CE1 4.16Å; C1069-F1073 HydrophobicContact CB-CG 3.79Å; D1070-F1073 HydrophobicContact CB-CB 4.31Å; F1073-V1075 HydrophobicContact CD1-CG2 3.81Å; F1073-V1075 HydrophobicContact CE1-CG2 4.25Å; F1073-V1075 PolarHBondContact O-N 3.28Å; F1073-V1075 VanDerWaalsContact O-N 3.14Å; F1073-L1078 HydrophobicContact CE1-CB 3.94Å; F1073-L1078 HydrophobicContact CE1-CD2 3.85Å; F1073-L1078 HydrophobicContact CZ-CB 3.95Å; F1073-L1078 HydrophobicContact CZ-CD2 3.99Å |
| 1074 | D | 85.5 | Confident | 84.1 | Confident | 82 Ų | 82 | 53.1 Ų | 53.1 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | trans | -79.8 | 97.1 | 178.4 | -171.4 | -11.1 | 0 | 0 | 0 | 111.1 | Y1076 R1077 L1078 | D1074-Y1076 VanDerWaalsContact C-N 3.29Å; D1074-Y1076 PolarHBondContact O-N 3.36Å; D1074-Y1076 WeakPolarHBondContact OD1-CA 3.38Å; D1074-Y1076 WeakPolarHBondContact OD1-CB 3.41Å; D1074-Y1076 PolarHBondContact OD1-N 2.82Å; D1074-R1077 HydrophobicContact CB-CB 3.81Å; D1074-R1077 VanDerWaalsContact CG-CB 3.46Å; D1074-R1077 PolarHBondContact O-N 3.43Å; D1074-R1077 PolarHBondContact OD1-N 2.99Å; D1074-R1077 WeakPolarHBondContact OD2-CB 3.38Å; D1074-L1078 PolarHBondContact O-N 3Å | ||
| 1075 | V | 84.8 | Confident | 83.9 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.03 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.2 | -26.9 | 177.9 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | H962 F964 C1069 F1073 L1078 L1079 | H962-V1075 HydrophobicContact CB-CG1 4.46Å; F964-V1075 HydrophobicContact CE1-CG1 3.83Å; F964-V1075 HydrophobicContact CZ-CG1 3.68Å; C1069-V1075 WeakPolarHBondContact SG-CG2 3.37Å; F1073-V1075 HydrophobicContact CD1-CG2 3.81Å; F1073-V1075 HydrophobicContact CE1-CG2 4.25Å; F1073-V1075 PolarHBondContact O-N 3.28Å; F1073-V1075 VanDerWaalsContact O-N 3.14Å; V1075-L1078 PolarHBondContact O-N 2.87Å; V1075-L1079 WeakPolarHBondContact O-CB 3.46Å; V1075-L1079 PolarHBondContact O-N 3.49Å |
| 1076 | Y | 88.8 | Confident | 83.4 | Confident | 137 Ų | 137 | 53.7 Ų | 53.7 | 54% | 0.537 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -73.6 | -41.4 | 176.1 | -62.1 | -70.4 | 0 | 0 | 0 | 110.3 | D1074 L1078 L1079 D1080 H1093 | D1074-Y1076 VanDerWaalsContact C-N 3.29Å; D1074-Y1076 PolarHBondContact O-N 3.36Å; D1074-Y1076 WeakPolarHBondContact OD1-CA 3.38Å; D1074-Y1076 WeakPolarHBondContact OD1-CB 3.41Å; D1074-Y1076 PolarHBondContact OD1-N 2.82Å; Y1076-L1078 PolarHBondContact O-N 3.44Å; Y1076-L1079 HydrophobicContact CD1-CD2 4.35Å; Y1076-L1079 WeakPolarHBondContact O-CB 2.99Å; Y1076-L1079 PolarHBondContact O-N 3.33Å; Y1076-D1080 WeakPolarHBondContact O-CB 3.12Å; Y1076-D1080 VanDerWaalsContact O-CG 3.25Å; Y1076-D1080 PolarHBondContact O-N 3.43Å; Y1076-H1093 AromaticContact CE1-CE1 3.84Å; Y1076-H1093 AromaticContact CE1-ND1 3.46Å; Y1076-H1093 WeakPolarHBondContact CE1-ND1 3.27Å; Y1076-H1093 AromaticContact CZ-CE1 3.98Å |
| 1077 | R | 87.3 | Confident | 82.9 | Confident | 140 Ų | 140 | 60.7 Ų | 60.7 | 53% | 0.528 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.7 | -36.8 | 170.2 | -177.5 | -179.9 | -179.6 | -133.4 | -0.7 | 113.1 | L1051 D1074 K1081 | L1051-R1077 HydrophobicContact CD2-CG 4.39Å; D1074-R1077 HydrophobicContact CB-CB 3.81Å; D1074-R1077 VanDerWaalsContact CG-CB 3.46Å; D1074-R1077 PolarHBondContact O-N 3.43Å; D1074-R1077 PolarHBondContact OD1-N 2.99Å; D1074-R1077 WeakPolarHBondContact OD2-CB 3.38Å; R1077-K1081 VanDerWaalsContact O-CB 3.24Å; R1077-K1081 WeakPolarHBondContact O-CB 3.21Å; R1077-K1081 PolarHBondContact O-N 3.11Å |
| 1078 | L | 86.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.7 | -45.3 | 172.3 | 175.1 | 59.6 | 0 | 0 | 0 | 111.9 | L1051 I1052 T1055 I1067 F1073 D1074 V1075 Y1076 K1081 L1082 | L1051-L1078 HydrophobicContact CB-CD1 3.84Å; I1052-L1078 HydrophobicContact CG1-CD1 4.19Å; T1055-L1078 HydrophobicContact CG2-CD2 4.01Å; I1067-L1078 HydrophobicContact CD1-CD2 3.82Å; F1073-L1078 HydrophobicContact CE1-CB 3.94Å; F1073-L1078 HydrophobicContact CE1-CD2 3.85Å; F1073-L1078 HydrophobicContact CZ-CB 3.95Å; F1073-L1078 HydrophobicContact CZ-CD2 3.99Å; D1074-L1078 PolarHBondContact O-N 3Å; V1075-L1078 PolarHBondContact O-N 2.87Å; Y1076-L1078 PolarHBondContact O-N 3.44Å; L1078-K1081 PolarHBondContact O-N 3.15Å; L1078-L1082 HydrophobicContact CD1-CD1 3.82Å; L1078-L1082 HydrophobicContact CD1-CG 3.93Å; L1078-L1082 HydrophobicContact CG-CD1 3.83Å; L1078-L1082 HydrophobicContact CG-CG 4.4Å; L1078-L1082 WeakPolarHBondContact O-CB 3.21Å; L1078-L1082 VanDerWaalsContact O-CG 3.24Å; L1078-L1082 WeakPolarHBondContact O-CG 3.39Å; L1078-L1082 PolarHBondContact O-N 3.36Å |
| 1079 | L | 87.9 | Confident | 82 | Confident | 17 Ų | 17 | 64.1 Ų | 64.1 | 9% | 0.089 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.9 | -49.1 | 177.9 | -178.2 | 65.1 | 0 | 0 | 0 | 112.1 | F964 V1075 Y1076 K1081 L1082 N1083 M1091 H1093 | F964-L1079 HydrophobicContact CD1-CD1 4.03Å; F964-L1079 HydrophobicContact CD2-CD1 4.15Å; F964-L1079 HydrophobicContact CE1-CB 4.33Å; F964-L1079 HydrophobicContact CE1-CD1 3.9Å; F964-L1079 HydrophobicContact CE2-CB 4.34Å; F964-L1079 HydrophobicContact CE2-CD1 4.02Å; F964-L1079 HydrophobicContact CG-CD1 4.16Å; F964-L1079 HydrophobicContact CZ-CB 3.84Å; F964-L1079 HydrophobicContact CZ-CD1 3.9Å; F964-L1079 HydrophobicContact CZ-CG 4.4Å; V1075-L1079 WeakPolarHBondContact O-CB 3.46Å; V1075-L1079 PolarHBondContact O-N 3.49Å; Y1076-L1079 HydrophobicContact CD1-CD2 4.35Å; Y1076-L1079 WeakPolarHBondContact O-CB 2.99Å; Y1076-L1079 PolarHBondContact O-N 3.33Å; L1079-K1081 VanDerWaalsContact C-N 3.33Å; L1079-K1081 PolarHBondContact O-N 3.13Å; L1079-L1082 PolarHBondContact O-N 2.84Å; L1079-N1083 WeakPolarHBondContact O-CB 3.39Å; L1079-N1083 VanDerWaalsContact O-CG 3.29Å; L1079-N1083 PolarHBondContact O-N 3.02Å; L1079-N1083 PolarHBondContact O-ND2 2.97Å; L1079-M1091 HydrophobicContact CD1-CB 3.75Å; L1079-H1093 HydrophobicContact CD2-CB 3.89Å |
| 1080 | D | 87.1 | Confident | 82.1 | Confident | 105 Ų | 105 | 67.9 Ų | 67.9 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.9 | -40.8 | 177.8 | -67 | -21.9 | 0 | 0 | 0 | 111.2 | Y1076 G1084 | Y1076-D1080 WeakPolarHBondContact O-CB 3.12Å; Y1076-D1080 VanDerWaalsContact O-CG 3.25Å; Y1076-D1080 PolarHBondContact O-N 3.43Å; D1080-G1084 PolarHBondContact O-N 3.21Å |
| 1081 | K | 86.3 | Confident | 82.5 | Confident | 107 Ų | 107 | 65.2 Ų | 65.2 | 47% | 0.465 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -71.8 | -31.7 | 178.3 | -173.2 | 54.4 | 178.9 | 172.8 | 0 | 113 | T1048 L1051 R1077 L1078 L1079 V1085 | T1048-K1081 HydrophobicContact CG2-CG 4.03Å; L1051-K1081 HydrophobicContact CD1-CB 3.83Å; L1051-K1081 HydrophobicContact CD1-CG 3.69Å; R1077-K1081 VanDerWaalsContact O-CB 3.24Å; R1077-K1081 WeakPolarHBondContact O-CB 3.21Å; R1077-K1081 PolarHBondContact O-N 3.11Å; L1078-K1081 PolarHBondContact O-N 3.15Å; L1079-K1081 VanDerWaalsContact C-N 3.33Å; L1079-K1081 PolarHBondContact O-N 3.13Å; K1081-V1085 WeakPolarHBondContact O-CG2 2.93Å |
| 1082 | L | 86.5 | Confident | 82.9 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.6 | -49 | 172.9 | -74.7 | 165.6 | 0 | 0 | 0 | 111.6 | F964 V1044 T1048 L1078 L1079 G1084 V1085 M1091 | F964-L1082 HydrophobicContact CD2-CD1 4.01Å; F964-L1082 HydrophobicContact CE2-CD1 3.69Å; V1044-L1082 HydrophobicContact CG1-CD2 3.56Å; T1048-L1082 HydrophobicContact CG2-CD2 3.87Å; T1048-L1082 HydrophobicContact CG2-CG 4.33Å; T1048-L1082 WeakPolarHBondContact OG1-CD2 3.39Å; L1078-L1082 HydrophobicContact CD1-CD1 3.82Å; L1078-L1082 HydrophobicContact CD1-CG 3.93Å; L1078-L1082 HydrophobicContact CG-CD1 3.83Å; L1078-L1082 HydrophobicContact CG-CG 4.4Å; L1078-L1082 WeakPolarHBondContact O-CB 3.21Å; L1078-L1082 VanDerWaalsContact O-CG 3.24Å; L1078-L1082 WeakPolarHBondContact O-CG 3.39Å; L1078-L1082 PolarHBondContact O-N 3.36Å; L1079-L1082 PolarHBondContact O-N 2.84Å; L1082-G1084 VanDerWaalsContact C-N 3.26Å; L1082-G1084 PolarHBondContact O-N 3.15Å; L1082-V1085 PolarHBondContact O-N 3.34Å; L1082-M1091 HydrophobicContact CB-CE 3.82Å; L1082-M1091 HydrophobicContact CB-SD 3.95Å; L1082-M1091 HydrophobicContact CD1-SD 4.04Å; L1082-M1091 HydrophobicContact CD2-CE 4.34Å; L1082-M1091 HydrophobicContact CG-CE 4.48Å |
| 1083 | N | 86.1 | Confident | 83.4 | Confident | 37 Ų | 37 | 55.3 Ų | 55.3 | 20% | 0.198 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.7 | -38.6 | 174.3 | -70.1 | -26.3 | 0 | 0 | 0 | 111.1 | L1079 V1085 Q1086 I1089 M1091 | L1079-N1083 WeakPolarHBondContact O-CB 3.39Å; L1079-N1083 VanDerWaalsContact O-CG 3.29Å; L1079-N1083 PolarHBondContact O-N 3.02Å; L1079-N1083 PolarHBondContact O-ND2 2.97Å; N1083-V1085 PolarHBondContact O-N 3.03Å; N1083-V1085 VanDerWaalsContact O-N 3.15Å; N1083-Q1086 PolarHBondContact O-N 3.48Å; N1083-I1089 PolarHBondContact OD1-O 3.44Å; N1083-M1091 WeakPolarHBondContact OD1-CB 3.26Å; N1083-M1091 WeakPolarHBondContact OD1-CG 3.45Å; N1083-M1091 PolarHBondContact OD1-N 3.23Å |
| 1084 | G | 84.5 | Confident | 83.4 | Confident | 54 Ų | 54 | 59.8 Ų | 59.8 | 56% | 0.557 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 4.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | D1080 L1082 | D1080-G1084 PolarHBondContact O-N 3.21Å; L1082-G1084 VanDerWaalsContact C-N 3.26Å; L1082-G1084 PolarHBondContact O-N 3.15Å |
| 1085 | V | 82.9 | Confident | 83.3 | Confident | 25 Ų | 25 | 58.8 Ų | 58.8 | 15% | 0.152 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -34.5 | 172.1 | -176.1 | 0 | 0 | 0 | 0 | 111.9 | Y1043 V1044 M1047 T1048 K1081 L1082 N1083 | Y1043-V1085 HydrophobicContact CD1-CG1 4.42Å; Y1043-V1085 HydrophobicContact CE1-CG1 3.8Å; V1044-V1085 HydrophobicContact CG1-CB 4.38Å; V1044-V1085 HydrophobicContact CG1-CG2 4.14Å; V1044-V1085 HydrophobicContact CG2-CB 4.31Å; V1044-V1085 HydrophobicContact CG2-CG1 4.07Å; M1047-V1085 HydrophobicContact CB-CG1 3.98Å; M1047-V1085 HydrophobicContact CB-CG2 4.1Å; M1047-V1085 HydrophobicContact CG-CG1 4.05Å; T1048-V1085 HydrophobicContact CG2-CG2 3.82Å; K1081-V1085 WeakPolarHBondContact O-CG2 2.93Å; L1082-V1085 PolarHBondContact O-N 3.34Å; N1083-V1085 PolarHBondContact O-N 3.03Å; N1083-V1085 VanDerWaalsContact O-N 3.15Å |
| 1086 | Q | 78.6 | Confident | 82.9 | Confident | 28 Ų | 28 | 60.8 Ų | 60.8 | 13% | 0.131 | 31% | 0.314 | C | S | . | . | trans | -155.4 | 115.1 | 179.8 | -179.1 | 71.6 | 25.4 | 0 | 0 | 110 | P974 F1040 N1083 D1088 I1089 | P974-Q1086 HydrophobicContact CG-CG 4.15Å; F1040-Q1086 HydrophobicContact CZ-CB 4.13Å; F1040-Q1086 HydrophobicContact CZ-CG 4.49Å; N1083-Q1086 PolarHBondContact O-N 3.48Å; Q1086-D1088 PolarHBondContact NE2-OD2 3.09Å; Q1086-D1088 PolarHBondContact O-N 3.46Å; Q1086-I1089 PolarHBondContact O-N 2.86Å | ||
| 1087 | N | 76.5 | Confident | 81.9 | Confident | 147 Ų | 147 | 58 Ų | 58 | 79% | 0.786 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -30 | -172.8 | -58.4 | 5.9 | 0 | 0 | 0 | 115 | I1089 | N1087-I1089 VanDerWaalsContact C-N 3.26Å; N1087-I1089 PolarHBondContact O-N 3.43Å |
| 1088 | D | 72.7 | Confident | 81 | Confident | 71 Ų | 71 | 59 Ų | 59 | 38% | 0.38 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -11.1 | -177.6 | -44.2 | -76.9 | 0 | 0 | 0 | 113.7 | N972 Q1086 | N972-D1088 HydrophobicContact CB-CB 4.4Å; N972-D1088 PolarHBondContact ND2-O 2.92Å; Q1086-D1088 PolarHBondContact NE2-OD2 3.09Å; Q1086-D1088 PolarHBondContact O-N 3.46Å |
| 1089 | I | 72.4 | Confident | 80.1 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | trans | -113 | 103.1 | -175.7 | -82 | 174.4 | 0 | 0 | 0 | 110.3 | V966 L969 N972 F1040 N1083 Q1086 N1087 M1091 | V966-I1089 HydrophobicContact CG1-CG2 3.91Å; L969-I1089 HydrophobicContact CD1-CD1 4.31Å; N972-I1089 HydrophobicContact CB-CD1 4.3Å; N972-I1089 HydrophobicContact CB-CG1 3.76Å; N972-I1089 VanDerWaalsContact O-CD1 3.29Å; N972-I1089 WeakPolarHBondContact O-CD1 3.19Å; F1040-I1089 HydrophobicContact CD1-CD1 3.74Å; F1040-I1089 HydrophobicContact CE1-CD1 3.18Å; F1040-I1089 HydrophobicContact CE1-CG1 4.48Å; F1040-I1089 HydrophobicContact CZ-CD1 3.84Å; N1083-I1089 PolarHBondContact OD1-O 3.44Å; Q1086-I1089 PolarHBondContact O-N 2.86Å; N1087-I1089 VanDerWaalsContact C-N 3.26Å; N1087-I1089 PolarHBondContact O-N 3.43Å; I1089-M1091 HydrophobicContact CG2-CE 4.23Å | ||
| 1090 | V | 80.2 | Confident | 79.4 | Confident | 78 Ų | 78 | 62.5 Ų | 62.5 | 47% | 0.473 | 35% | 0.353 | S | S | . | . | trans | -105 | 113.7 | 177.6 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | N967 | N967-V1090 WeakPolarHBondContact CB-O 3.43Å; N967-V1090 PolarHBondContact N-O 3.22Å; N967-V1090 VanDerWaalsContact N-O 3.12Å; N967-V1090 PolarHBondContact ND2-O 2.83Å | ||
| 1091 | M | 85.2 | Confident | 79 | Confident | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.03 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 130.8 | 172.5 | -53.2 | -168.1 | -168.8 | 0 | 0 | 110.3 | F964 V966 M1041 V1044 I1065 L1079 L1082 N1083 I1089 | F964-M1091 HydrophobicContact CB-CB 4.32Å; F964-M1091 HydrophobicContact CD2-SD 4.25Å; V966-M1091 HydrophobicContact CG2-CE 4.45Å; V966-M1091 HydrophobicContact CG2-CG 4.16Å; V966-M1091 HydrophobicContact CG2-SD 4.43Å; M1041-M1091 HydrophobicContact CE-CE 3.78Å; M1041-M1091 HydrophobicContact SD-CE 4.49Å; V1044-M1091 HydrophobicContact CG1-CE 4.26Å; I1065-M1091 HydrophobicContact CD1-CE 4.38Å; I1065-M1091 HydrophobicContact CD1-SD 3.72Å; L1079-M1091 HydrophobicContact CD1-CB 3.75Å; L1082-M1091 HydrophobicContact CB-CE 3.82Å; L1082-M1091 HydrophobicContact CB-SD 3.95Å; L1082-M1091 HydrophobicContact CD1-SD 4.04Å; L1082-M1091 HydrophobicContact CD2-CE 4.34Å; L1082-M1091 HydrophobicContact CG-CE 4.48Å; N1083-M1091 WeakPolarHBondContact OD1-CB 3.26Å; N1083-M1091 WeakPolarHBondContact OD1-CG 3.45Å; N1083-M1091 PolarHBondContact OD1-N 3.23Å; I1089-M1091 HydrophobicContact CG2-CE 4.23Å |
| 1092 | T | 83.1 | Confident | 78.4 | Confident | 52 Ų | 52 | 55.5 Ų | 55.5 | 32% | 0.319 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 157.4 | 166.7 | 62.5 | 0 | 0 | 0 | 0 | 110.4 | F964 D965 N967 | F964-T1092 WeakPolarHBondContact CA-O 3.28Å; F964-T1092 WeakPolarHBondContact CB-O 3.11Å; D965-T1092 PolarHBondContact N-O 3.42Å; D965-T1092 VanDerWaalsContact N-O 3.17Å; D965-T1092 PolarHBondContact O-N 3.44Å; D965-T1092 PolarHBondContact O-OG1 3.16Å; N967-T1092 VanDerWaalsContact ND2-CG2 3.31Å; N967-T1092 WeakPolarHBondContact ND2-CG2 3.31Å |
| 1093 | H | 87.4 | Confident | 78 | Confident | 40 Ų | 40 | 55.5 Ų | 55.5 | 19% | 0.185 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 124.4 | -179.5 | 171.8 | -143.7 | 0 | 0 | 0 | 112.1 | H962 F964 Y1076 L1079 | H962-H1093 AromaticContact CG-NE2 3.69Å; H962-H1093 AromaticContact ND1-CE1 3.77Å; H962-H1093 AromaticContact ND1-NE2 2.98Å; H962-H1093 PolarHBondContact ND1-NE2 3.2Å; F964-H1093 HydrophobicContact CD1-CB 3.95Å; F964-H1093 AromaticContact CD1-CD2 3.73Å; F964-H1093 HydrophobicContact CE1-CB 4.04Å; F964-H1093 AromaticContact CE1-CD2 3.48Å; F964-H1093 VanDerWaalsContact CE1-CD2 3.48Å; F964-H1093 WeakPolarHBondContact CE1-CD2 3.36Å; F964-H1093 AromaticContact CE1-CG 3.85Å; Y1076-H1093 AromaticContact CE1-CE1 3.84Å; Y1076-H1093 AromaticContact CE1-ND1 3.46Å; Y1076-H1093 WeakPolarHBondContact CE1-ND1 3.27Å; Y1076-H1093 AromaticContact CZ-CE1 3.98Å; L1079-H1093 HydrophobicContact CD2-CB 3.89Å |
| 1094 | E | 80.8 | Confident | 77.6 | Confident | 118 Ų | 118 | 55.4 Ų | 55.4 | 55% | 0.551 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 104 | 168.2 | -66.8 | -165.1 | 174.4 | 0 | 0 | 109.8 | S963 L1101 | S963-E1094 PolarHBondContact N-O 2.95Å; S963-E1094 PolarHBondContact O-N 3.19Å; E1094-L1101 WeakPolarHBondContact O-CD1 3.27Å |
| 1095 | P | 83.6 | Confident | 76.8 | Confident | 61 Ų | 61 | 57.9 Ų | 57.9 | 40% | 0.396 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 156.7 | 170.8 | 30.2 | -34.1 | 0 | 0 | 0 | 111.7 | S1097 | P1095-S1097 PolarHBondContact O-N 3.43Å |
| 1096 | E | 77.5 | Confident | 75.7 | Confident | 48 Ų | 48 | 57 Ų | 57 | 22% | 0.224 | 32% | 0.323 | C | S | . | . | trans | -59.3 | 130.6 | 178.1 | 73.1 | -176 | 121.8 | 0 | 0 | 112.7 | L961 L1101 R1110 | L961-E1096 HydrophobicContact CB-CB 3.92Å; L961-E1096 HydrophobicContact CB-CG 4.25Å; L961-E1096 PolarHBondContact N-OE1 3.45Å; L961-E1096 WeakPolarHBondContact O-CB 2.97Å; L961-E1096 PolarHBondContact O-N 3.34Å; E1096-L1101 HydrophobicContact CB-CB 4.46Å; E1096-R1110 IonicContact OE1-CZ 3.21Å; E1096-R1110 IonicContact OE1-NE 2.74Å; E1096-R1110 PolarHBondContact OE1-NE 2.62Å; E1096-R1110 IonicContact OE1-NH2 3.05Å; E1096-R1110 PolarHBondContact OE1-NH2 3.38Å; E1096-R1110 IonicContact OE2-CZ 3Å; E1096-R1110 IonicContact OE2-NE 2.88Å; E1096-R1110 PolarHBondContact OE2-NE 2.91Å; E1096-R1110 IonicContact OE2-NH2 2.71Å; E1096-R1110 PolarHBondContact OE2-NH2 2.94Å | ||
| 1097 | S | 67.1 | Low | 75.4 | Confident | 79 Ų | 79 | 58.5 Ų | 58.5 | 55% | 0.552 | 33% | 0.331 | S | S | * | . | B | Isolated β-bridge | trans | -110.5 | 127.2 | 177.9 | 61.2 | 0 | 0 | 0 | 0 | 110.3 | P1095 G1099 Q1100 | P1095-S1097 PolarHBondContact O-N 3.43Å; S1097-G1099 PolarHBondContact O-N 3.11Å; S1097-G1099 VanDerWaalsContact O-N 3.16Å; S1097-Q1100 PolarHBondContact N-O 3.19Å; S1097-Q1100 PolarHBondContact O-N 3.26Å; S1097-Q1100 VanDerWaalsContact O-O 3.09Å |
| 1098 | N | 67.7 | Low | 75 | Confident | 160 Ų | 160 | 51.5 Ų | 51.5 | 86% | 0.856 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 38.6 | -176.4 | -64.2 | -65.6 | 0 | 0 | 0 | 114 | Q1100 | N1098-Q1100 VanDerWaalsContact C-N 3.28Å; N1098-Q1100 PolarHBondContact O-N 3.38Å |
| 1099 | G | 68 | Low | 74.5 | Confident | 24 Ų | 24 | 48.4 Ų | 48.4 | 25% | 0.247 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 24.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1097 R1110 | S1097-G1099 PolarHBondContact O-N 3.11Å; S1097-G1099 VanDerWaalsContact O-N 3.16Å; G1099-R1110 VanDerWaalsContact O-CB 3.25Å; G1099-R1110 WeakPolarHBondContact O-CB 3.35Å; G1099-R1110 PolarHBondContact O-N 2.88Å |
| 1100 | Q | 73.1 | Confident | 74.1 | Confident | 67 Ų | 67 | 50.7 Ų | 50.7 | 31% | 0.313 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 137.5 | -178.8 | -70.2 | 170 | 91.1 | 0 | 0 | 109.9 | S1097 N1098 L1107 L1108 | S1097-Q1100 PolarHBondContact N-O 3.19Å; S1097-Q1100 PolarHBondContact O-N 3.26Å; S1097-Q1100 VanDerWaalsContact O-O 3.09Å; N1098-Q1100 VanDerWaalsContact C-N 3.28Å; N1098-Q1100 PolarHBondContact O-N 3.38Å; Q1100-L1107 HydrophobicContact CB-CD1 4.21Å; Q1100-L1108 WeakPolarHBondContact CA-O 3.23Å |
| 1101 | L | 78.3 | Confident | 72.7 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 133.2 | 173.2 | -167.6 | 71.8 | 0 | 0 | 0 | 108 | L961 S963 L1066 E1094 E1096 L1108 | L961-L1101 HydrophobicContact CB-CD2 4.42Å; S963-L1101 WeakPolarHBondContact OG-CD1 3.31Å; L1066-L1101 HydrophobicContact CD1-CD2 3.7Å; E1094-L1101 WeakPolarHBondContact O-CD1 3.27Å; E1096-L1101 HydrophobicContact CB-CB 4.46Å; L1101-L1108 HydrophobicContact CB-CB 4.44Å; L1101-L1108 PolarHBondContact N-O 2.9Å; L1101-L1108 PolarHBondContact O-N 3.05Å |
| 1102 | A | 75.1 | Confident | 71.3 | Confident | 60 Ų | 60 | 58 Ų | 58 | 50% | 0.496 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 132.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||
| 1103 | F | 77.5 | Confident | 69.5 | Low | 1 Ų | 1 | 56.8 Ų | 56.8 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 120.7 | 178.6 | -170.9 | -99.6 | 0 | 0 | 0 | 108.6 | L405 D1064 I1065 L1066 D1105 I1106 L1108 | L405-F1103 HydrophobicContact CD2-CD1 3.53Å; L405-F1103 HydrophobicContact CD2-CE1 3.62Å; D1064-F1103 HydrophobicContact CB-CE2 3.7Å; D1064-F1103 HydrophobicContact CB-CZ 3.8Å; D1064-F1103 WeakPolarHBondContact O-CZ 3.32Å; I1065-F1103 VanDerWaalsContact C-CE2 3.41Å; I1065-F1103 WeakPolarHBondContact O-CE2 3.43Å; L1066-F1103 HydrophobicContact CB-CD1 4.45Å; L1066-F1103 HydrophobicContact CB-CD2 4.09Å; L1066-F1103 HydrophobicContact CB-CE1 4.11Å; L1066-F1103 HydrophobicContact CB-CE2 3.72Å; L1066-F1103 HydrophobicContact CB-CG 4.44Å; L1066-F1103 HydrophobicContact CB-CZ 3.72Å; L1066-F1103 HydrophobicContact CD1-CD2 4.49Å; F1103-D1105 PolarHBondContact O-N 3.08Å; F1103-I1106 PolarHBondContact N-O 3.31Å; F1103-I1106 WeakPolarHBondContact O-CG1 3.5Å; F1103-I1106 PolarHBondContact O-N 3.16Å; F1103-L1108 HydrophobicContact CB-CD1 3.88Å; F1103-L1108 HydrophobicContact CB-CG 4.27Å; F1103-L1108 HydrophobicContact CG-CD1 4.46Å |
| 1104 | L | 77.7 | Confident | 67.7 | Low | 35 Ų | 35 | 55 Ų | 55 | 18% | 0.183 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | -137.6 | -168.7 | -53.1 | 171.6 | 0 | 0 | 0 | 111 | T402 Y1061 D1064 I1106 | T402-L1104 HydrophobicContact CG2-CB 4.39Å; T402-L1104 HydrophobicContact CG2-CD1 4.38Å; Y1061-L1104 HydrophobicContact CD1-CD1 4.32Å; Y1061-L1104 HydrophobicContact CD1-CD2 3.32Å; Y1061-L1104 HydrophobicContact CD1-CG 4.46Å; Y1061-L1104 HydrophobicContact CD2-CD1 4.42Å; Y1061-L1104 HydrophobicContact CE1-CD2 4Å; Y1061-L1104 HydrophobicContact CG-CD1 3.95Å; Y1061-L1104 HydrophobicContact CG-CD2 3.78Å; D1064-L1104 HydrophobicContact CB-CD2 3.87Å; D1064-L1104 VanDerWaalsContact OD2-CD2 3.25Å; D1064-L1104 WeakPolarHBondContact OD2-CD2 3.34Å; L1104-I1106 VanDerWaalsContact C-N 3.28Å; L1104-I1106 PolarHBondContact O-N 2.89Å |
| 1105 | D | 66.5 | Low | 66.3 | Low | 107 Ų | 107 | 51 Ų | 51 | 57% | 0.572 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 10.3 | 176.3 | -73.2 | -27.5 | 0 | 0 | 0 | 114 | F1103 P1121 | F1103-D1105 PolarHBondContact O-N 3.08Å; D1105-P1121 WeakPolarHBondContact O-CD 3.35Å |
| 1106 | I | 61 | Low | 64.8 | Low | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 140.6 | -179 | 56.7 | 173.2 | 0 | 0 | 0 | 113.8 | T402 L405 F1103 L1104 L1108 R1118 L1120 | T402-I1106 HydrophobicContact CG2-CB 4.3Å; T402-I1106 HydrophobicContact CG2-CD1 3.72Å; T402-I1106 HydrophobicContact CG2-CG1 3.73Å; T402-I1106 HydrophobicContact CG2-CG2 3.72Å; L405-I1106 HydrophobicContact CD2-CD1 4.22Å; F1103-I1106 PolarHBondContact N-O 3.31Å; F1103-I1106 WeakPolarHBondContact O-CG1 3.5Å; F1103-I1106 PolarHBondContact O-N 3.16Å; L1104-I1106 VanDerWaalsContact C-N 3.28Å; L1104-I1106 PolarHBondContact O-N 2.89Å; I1106-L1108 HydrophobicContact CD1-CD2 3.66Å; I1106-L1108 HydrophobicContact CG1-CD2 4.19Å; I1106-R1118 HydrophobicContact CD1-CG 4.48Å; I1106-L1120 HydrophobicContact CG2-CD2 4.01Å |
| 1107 | L | 71.9 | Confident | 63.8 | Low | 59 Ų | 59 | 52.6 Ų | 52.6 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 111.7 | 167.8 | -174.8 | 69.1 | 0 | 0 | 0 | 108.7 | Q1100 S1109 R1119 | Q1100-L1107 HydrophobicContact CB-CD1 4.21Å; L1107-S1109 PolarHBondContact O-N 3.21Å; L1107-R1119 HydrophobicContact CB-CB 4.15Å; L1107-R1119 PolarHBondContact N-O 3.23Å; L1107-R1119 PolarHBondContact O-N 2.93Å |
| 1108 | L | 67.9 | Low | 63.2 | Low | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 95.4 | 172.4 | -58.6 | -179.5 | 0 | 0 | 0 | 108.2 | L1066 Q1100 L1101 F1103 I1106 I1116 R1118 | L1066-L1108 HydrophobicContact CD1-CD1 3.71Å; L1066-L1108 HydrophobicContact CD2-CD1 3.81Å; L1066-L1108 HydrophobicContact CG-CD1 4.44Å; Q1100-L1108 WeakPolarHBondContact CA-O 3.23Å; L1101-L1108 HydrophobicContact CB-CB 4.44Å; L1101-L1108 PolarHBondContact N-O 2.9Å; L1101-L1108 PolarHBondContact O-N 3.05Å; F1103-L1108 HydrophobicContact CB-CD1 3.88Å; F1103-L1108 HydrophobicContact CB-CG 4.27Å; F1103-L1108 HydrophobicContact CG-CD1 4.46Å; I1106-L1108 HydrophobicContact CD1-CD2 3.66Å; I1106-L1108 HydrophobicContact CG1-CD2 4.19Å; L1108-I1116 HydrophobicContact CB-CG2 4.26Å; L1108-I1116 HydrophobicContact CD2-CG2 3.96Å; L1108-R1118 HydrophobicContact CD2-CG 4.38Å |
| 1109 | S | 63.3 | Low | 62.2 | Low | 5 Ų | 5 | 50.3 Ų | 50.3 | 4% | 0.035 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 120.4 | 173.9 | -43.6 | 0 | 0 | 0 | 0 | 110.5 | L1107 R1117 R1119 | L1107-S1109 PolarHBondContact O-N 3.21Å; S1109-R1117 PolarHBondContact N-O 3.3Å; S1109-R1117 WeakPolarHBondContact O-CA 3.4Å; S1109-R1117 WeakPolarHBondContact O-CB 3.24Å; S1109-R1117 PolarHBondContact O-N 3.45Å; S1109-R1119 PolarHBondContact OG-NH1 2.89Å |
| 1110 | R | 62.8 | Low | 61.5 | Low | 53 Ų | 53 | 53.9 Ų | 53.9 | 20% | 0.2 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 144.2 | 165.5 | -174.5 | -179.8 | -69.2 | -86.2 | -4.8 | 109.5 | I956 K959 E1096 G1099 | I956-R1110 PolarHBondContact O-NH1 3.24Å; K959-R1110 PolarHBondContact O-NH1 2.88Å; K959-R1110 PolarHBondContact O-NH2 2.99Å; E1096-R1110 IonicContact OE1-CZ 3.21Å; E1096-R1110 IonicContact OE1-NE 2.74Å; E1096-R1110 PolarHBondContact OE1-NE 2.62Å; E1096-R1110 IonicContact OE1-NH2 3.05Å; E1096-R1110 PolarHBondContact OE1-NH2 3.38Å; E1096-R1110 IonicContact OE2-CZ 3Å; E1096-R1110 IonicContact OE2-NE 2.88Å; E1096-R1110 PolarHBondContact OE2-NE 2.91Å; E1096-R1110 IonicContact OE2-NH2 2.71Å; E1096-R1110 PolarHBondContact OE2-NH2 2.94Å; G1099-R1110 VanDerWaalsContact O-CB 3.25Å; G1099-R1110 WeakPolarHBondContact O-CB 3.35Å; G1099-R1110 PolarHBondContact O-N 2.88Å |
| 1111 | R | 52.4 | Low | 60 | Low | 81 Ų | 81 | 54 Ų | 54 | 31% | 0.306 | 27% | 0.268 | S | S | . | . | trans | -107.4 | 155 | 166.8 | -63.6 | -170.7 | -157 | 135.4 | 8.2 | 110.3 | D1113 G1114 T1115 R1117 | R1111-D1113 WeakPolarHBondContact CB-OD1 3.24Å; R1111-D1113 PolarHBondContact O-N 2.91Å; R1111-G1114 PolarHBondContact O-N 3.4Å; R1111-T1115 VanDerWaalsContact CB-O 3.31Å; R1111-T1115 WeakPolarHBondContact CB-O 3.25Å; R1111-T1115 WeakPolarHBondContact CD-OG1 3.47Å; R1111-T1115 WeakPolarHBondContact CG-O 3Å; R1111-T1115 PolarHBondContact N-O 3.23Å; R1111-T1115 PolarHBondContact NH1-OG1 2.98Å; R1111-R1117 HydrophobicContact CG-CB 4.15Å | ||
| 1112 | D | 53.8 | Low | 58.1 | Low | 157 Ų | 157 | 58.3 Ų | 58.3 | 84% | 0.84 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -16.8 | 173.3 | -6 | -42.5 | 0 | 0 | 0 | 113.9 | ||
| 1113 | D | 46.5 | Very low | 56.5 | Low | 26 Ų | 26 | 59.4 Ų | 59.4 | 14% | 0.139 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 12.6 | 176.2 | 74.2 | -12.2 | 0 | 0 | 0 | 114.5 | R672 R1111 T1115 L1753 | R672-D1113 IonicContact CZ-OD2 2.66Å; R672-D1113 IonicContact NH1-OD2 3.36Å; R672-D1113 PolarHBondContact NH1-OD2 3.45Å; R1111-D1113 WeakPolarHBondContact CB-OD1 3.24Å; R1111-D1113 PolarHBondContact O-N 2.91Å; D1113-T1115 VanDerWaalsContact C-N 3.28Å; D1113-T1115 PolarHBondContact O-N 3.43Å; D1113-T1115 WeakPolarHBondContact OD1-CB 3.28Å; D1113-T1115 PolarHBondContact OD1-N 2.9Å; D1113-T1115 PolarHBondContact OD1-OG1 2.97Å; D1113-L1753 HydrophobicContact CB-CD2 4.33Å |
| 1114 | G | 48.5 | Very low | 54.9 | Low | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | S | Bend | trans | 76.1 | 7.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | N955 I956 R1111 | N955-G1114 PolarHBondContact OD1-O 2.8Å; I956-G1114 WeakPolarHBondContact CG1-O 3.13Å; I956-G1114 PolarHBondContact N-O 3.11Å; R1111-G1114 PolarHBondContact O-N 3.4Å |
| 1115 | T | 51.9 | Low | 53.3 | Low | 34 Ų | 34 | 63.6 Ų | 63.6 | 21% | 0.209 | 33% | 0.331 | C | S | . | . | trans | -98.6 | 144.5 | 178 | 65.1 | 0 | 0 | 0 | 0 | 112.3 | R1111 D1113 | R1111-T1115 VanDerWaalsContact CB-O 3.31Å; R1111-T1115 WeakPolarHBondContact CB-O 3.25Å; R1111-T1115 WeakPolarHBondContact CD-OG1 3.47Å; R1111-T1115 WeakPolarHBondContact CG-O 3Å; R1111-T1115 PolarHBondContact N-O 3.23Å; R1111-T1115 PolarHBondContact NH1-OG1 2.98Å; D1113-T1115 VanDerWaalsContact C-N 3.28Å; D1113-T1115 PolarHBondContact O-N 3.43Å; D1113-T1115 WeakPolarHBondContact OD1-CB 3.28Å; D1113-T1115 PolarHBondContact OD1-N 2.9Å; D1113-T1115 PolarHBondContact OD1-OG1 2.97Å | ||
| 1116 | I | 53.1 | Low | 52.5 | Low | 23 Ų | 23 | 66.5 Ų | 66.5 | 12% | 0.118 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 130.7 | 179.5 | -58.5 | 175.1 | 0 | 0 | 0 | 110.4 | L409 I956 I1068 L1108 | L409-I1116 HydrophobicContact CD1-CD1 4.48Å; I956-I1116 HydrophobicContact CD1-CD1 4.01Å; I956-I1116 HydrophobicContact CD1-CG1 3.61Å; I956-I1116 HydrophobicContact CG1-CG1 4.06Å; I956-I1116 HydrophobicContact CG2-CD1 4.48Å; I1068-I1116 HydrophobicContact CD1-CD1 3.81Å; L1108-I1116 HydrophobicContact CB-CG2 4.26Å; L1108-I1116 HydrophobicContact CD2-CG2 3.96Å |
| 1117 | R | 55.8 | Low | 52 | Low | 121 Ų | 121 | 70.4 Ų | 70.4 | 46% | 0.457 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 104.3 | 169.8 | -176.2 | -171.8 | -178.6 | 164.3 | 1.7 | 110.3 | S1109 R1111 | S1109-R1117 PolarHBondContact N-O 3.3Å; S1109-R1117 WeakPolarHBondContact O-CA 3.4Å; S1109-R1117 WeakPolarHBondContact O-CB 3.24Å; S1109-R1117 PolarHBondContact O-N 3.45Å; R1111-R1117 HydrophobicContact CG-CB 4.15Å |
| 1118 | R | 53.8 | Low | 51.2 | Low | 91 Ų | 91 | 68.6 Ų | 68.6 | 34% | 0.343 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 135.6 | 164.9 | -50.8 | 126 | -160.8 | -166.9 | 20.5 | 109.9 | I406 L409 I1106 L1108 | I406-R1118 HydrophobicContact CG1-CG 4.29Å; I406-R1118 PolarHBondContact O-NH1 2.87Å; L409-R1118 PolarHBondContact O-NH2 3.33Å; I1106-R1118 HydrophobicContact CD1-CG 4.48Å; L1108-R1118 HydrophobicContact CD2-CG 4.38Å |
| 1119 | R | 48.7 | Very low | 50.6 | Low | 99 Ų | 99 | 73 Ų | 73 | 37% | 0.374 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 124.3 | 170.5 | -84.6 | 171.4 | 162.5 | 143.6 | -18.2 | 109.4 | L1107 S1109 | L1107-R1119 HydrophobicContact CB-CB 4.15Å; L1107-R1119 PolarHBondContact N-O 3.23Å; L1107-R1119 PolarHBondContact O-N 2.93Å; S1109-R1119 PolarHBondContact OG-NH1 2.89Å |
| 1120 | L | 51.8 | Low | 50.4 | Low | 100 Ų | 100 | 78.2 Ų | 78.2 | 52% | 0.524 | 39% | 0.391 | S | S | . | . | trans | -78 | 156.2 | 166 | -71.9 | 163.9 | 0 | 0 | 0 | 110.7 | I1106 | I1106-L1120 HydrophobicContact CG2-CD2 4.01Š| ||
| 1121 | P | 42.4 | Very low | 50.2 | Low | 70 Ų | 70 | 75.7 Ų | 75.7 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | trans | -61.7 | 159.5 | -170.7 | -27.6 | 37.5 | 0 | 0 | 0 | 116.7 | D1105 S1123 | D1105-P1121 WeakPolarHBondContact O-CD 3.35Å; P1121-S1123 VanDerWaalsContact C-N 3.32Å; P1121-S1123 PolarHBondContact O-N 3.41Å | ||
| 1122 | S | 39.1 | Very low | 50.6 | Low | 94 Ų | 94 | 72 Ų | 72 | 66% | 0.657 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -71.5 | -15.4 | -165.4 | 61.5 | 0 | 0 | 0 | 0 | 116.1 | C1124 T1125 | S1122-C1124 VanDerWaalsContact C-N 3.33Å; S1122-C1124 PolarHBondContact O-N 3.4Å; S1122-T1125 PolarHBondContact O-OG1 3Å |
| 1123 | S | 40.7 | Very low | 51.1 | Low | 83 Ų | 83 | 68.6 Ų | 68.6 | 58% | 0.58 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -67 | -32 | 179.1 | 55.9 | 0 | 0 | 0 | 0 | 113 | P1121 | P1121-S1123 VanDerWaalsContact C-N 3.32Å; P1121-S1123 PolarHBondContact O-N 3.41Å |
| 1124 | C | 43.3 | Very low | 52.3 | Low | 51 Ų | 51 | 68.6 Ų | 68.6 | 35% | 0.345 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -84.4 | -31.4 | -176.9 | -74.1 | 0 | 0 | 0 | 0 | 113.7 | S1122 V1205 | S1122-C1124 VanDerWaalsContact C-N 3.33Å; S1122-C1124 PolarHBondContact O-N 3.4Å; C1124-V1205 HydrophobicContact CB-CG1 3.69Å |
| 1125 | T | 45.4 | Very low | 53.1 | Low | 73 Ų | 73 | 69.7 Ų | 69.7 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -76 | -40.1 | -171.2 | 39.8 | 0 | 0 | 0 | 0 | 113.9 | S1122 R1127 L1128 D1129 | S1122-T1125 PolarHBondContact O-OG1 3Å; T1125-R1127 VanDerWaalsContact C-N 3.34Å; T1125-R1127 PolarHBondContact O-N 3.03Å; T1125-L1128 PolarHBondContact O-N 2.77Å; T1125-L1128 VanDerWaalsContact O-N 3.11Å; T1125-D1129 PolarHBondContact O-N 3.04Å |
| 1126 | K | 48.6 | Very low | 53.7 | Low | 168 Ų | 168 | 68.3 Ų | 68.3 | 73% | 0.73 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -54.2 | -45.5 | -179.6 | -77.3 | -174.2 | 175.7 | 179 | 0 | 113.2 | L1128 D1129 E1130 | K1126-L1128 VanDerWaalsContact C-N 3.3Å; K1126-L1128 PolarHBondContact O-N 2.95Å; K1126-D1129 PolarHBondContact O-N 2.69Å; K1126-E1130 PolarHBondContact O-N 2.96Å |
| 1127 | R | 51.5 | Low | 54.4 | Low | 89 Ų | 89 | 72.9 Ų | 72.9 | 34% | 0.336 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.9 | -29.2 | -179.2 | -74.8 | 177.2 | 166.9 | 169.5 | -6.3 | 113.4 | T1125 L1131 | T1125-R1127 VanDerWaalsContact C-N 3.34Å; T1125-R1127 PolarHBondContact O-N 3.03Å; R1127-L1131 PolarHBondContact O-N 2.81Å |
| 1128 | L | 53.9 | Low | 54.9 | Low | 20 Ų | 20 | 67.1 Ų | 67.1 | 11% | 0.105 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -76.6 | -39.2 | 179.4 | -68.5 | 176.8 | 0 | 0 | 0 | 112.2 | T1125 K1126 L1131 A1132 V1205 L1206 F1217 | T1125-L1128 PolarHBondContact O-N 2.77Å; T1125-L1128 VanDerWaalsContact O-N 3.11Å; K1126-L1128 VanDerWaalsContact C-N 3.3Å; K1126-L1128 PolarHBondContact O-N 2.95Å; L1128-L1131 PolarHBondContact O-N 2.83Å; L1128-A1132 PolarHBondContact O-N 2.9Å; L1128-V1205 HydrophobicContact CD1-CG1 3.91Å; L1128-V1205 HydrophobicContact CD2-CG1 4.34Å; L1128-V1205 HydrophobicContact CG-CG1 4.15Å; L1128-L1206 HydrophobicContact CD2-CG 4.28Å; L1128-F1217 HydrophobicContact CB-CE2 3.74Å; L1128-F1217 HydrophobicContact CB-CZ 3.73Å; L1128-F1217 HydrophobicContact CD1-CD2 4.49Å; L1128-F1217 HydrophobicContact CD1-CE2 4.35Å; L1128-F1217 HydrophobicContact CD2-CD1 4.35Å; L1128-F1217 HydrophobicContact CD2-CE1 3.82Å; L1128-F1217 HydrophobicContact CD2-CE2 4.24Å; L1128-F1217 HydrophobicContact CD2-CZ 3.76Å; L1128-F1217 HydrophobicContact CG-CE2 4.33Å; L1128-F1217 HydrophobicContact CG-CZ 4.24Å |
| 1129 | D | 55.4 | Low | 55.5 | Low | 93 Ų | 93 | 62.8 Ų | 62.8 | 50% | 0.497 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.6 | -35.9 | 178 | -87.6 | -32.2 | 0 | 0 | 0 | 112.7 | T1125 K1126 A1132 N1133 | T1125-D1129 PolarHBondContact O-N 3.04Å; K1126-D1129 PolarHBondContact O-N 2.69Å; D1129-A1132 PolarHBondContact O-N 2.84Å; D1129-N1133 WeakPolarHBondContact O-CB 3.4Å; D1129-N1133 PolarHBondContact O-N 3.05Å; D1129-N1133 PolarHBondContact O-ND2 3.4Å |
| 1130 | E | 59 | Low | 56.3 | Low | 115 Ų | 115 | 58.5 Ų | 58.5 | 54% | 0.537 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 173.8 | -69.5 | -174.5 | 144.3 | 0 | 0 | 111.8 | K1126 A1132 N1133 L1134 L1198 | K1126-E1130 PolarHBondContact O-N 2.96Å; E1130-A1132 PolarHBondContact O-N 3.08Å; E1130-N1133 PolarHBondContact O-N 3.26Å; E1130-L1134 WeakPolarHBondContact O-CB 3.02Å; E1130-L1134 PolarHBondContact O-N 2.91Å; E1130-L1198 HydrophobicContact CB-CD1 4.49Å; E1130-L1198 HydrophobicContact CB-CD2 4.49Å |
| 1131 | L | 59.9 | Low | 57.3 | Low | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 177 | -172.5 | 74 | 0 | 0 | 0 | 111.6 | R1127 L1128 L1134 K1135 L1195 L1198 H1199 A1202 F1217 | R1127-L1131 PolarHBondContact O-N 2.81Å; L1128-L1131 PolarHBondContact O-N 2.83Å; L1131-L1134 PolarHBondContact O-N 3.12Å; L1131-K1135 WeakPolarHBondContact O-CG 3.16Å; L1131-K1135 PolarHBondContact O-N 3.48Å; L1131-K1135 VanDerWaalsContact O-N 3.07Å; L1131-L1195 HydrophobicContact CD1-CD1 4.14Å; L1131-L1198 HydrophobicContact CD1-CB 4.22Å; L1131-H1199 HydrophobicContact CD1-CB 3.86Å; L1131-A1202 HydrophobicContact CD2-CB 3.94Å; L1131-F1217 HydrophobicContact CD2-CE1 4.37Å |
| 1132 | A | 60.2 | Low | 58.4 | Low | 5 Ų | 5 | 51.8 Ų | 51.8 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -49.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1128 D1129 E1130 L1134 K1135 C1136 F1220 | L1128-A1132 PolarHBondContact O-N 2.9Å; D1129-A1132 PolarHBondContact O-N 2.84Å; E1130-A1132 PolarHBondContact O-N 3.08Å; A1132-L1134 VanDerWaalsContact C-N 3.27Å; A1132-L1134 PolarHBondContact O-N 3.26Å; A1132-K1135 PolarHBondContact O-N 2.84Å; A1132-C1136 WeakPolarHBondContact O-CB 3.05Å; A1132-C1136 PolarHBondContact O-N 3.45Å; A1132-C1136 PolarHBondContact O-SG 3.23Å; A1132-F1220 HydrophobicContact CB-CE1 4.44Å |
| 1133 | N | 64.9 | Low | 59.7 | Low | 84 Ų | 84 | 47.4 Ų | 47.4 | 45% | 0.449 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.8 | -30.7 | -179.5 | -84.6 | -72.8 | 0 | 0 | 0 | 113.3 | D1129 E1130 C1136 K1137 | D1129-N1133 WeakPolarHBondContact O-CB 3.4Å; D1129-N1133 PolarHBondContact O-N 3.05Å; D1129-N1133 PolarHBondContact O-ND2 3.4Å; E1130-N1133 PolarHBondContact O-N 3.26Å; N1133-C1136 WeakPolarHBondContact O-CB 3.4Å; N1133-K1137 WeakPolarHBondContact O-CG 3.2Å; N1133-K1137 PolarHBondContact O-N 2.84Å |
| 1134 | L | 69.8 | Low | 60.8 | Low | 26 Ų | 26 | 45.7 Ų | 45.7 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -79.4 | -43.9 | 177.6 | -169.4 | 55.2 | 0 | 0 | 0 | 112.4 | E1130 L1131 A1132 C1136 K1137 I1138 M1191 K1194 L1195 L1198 | E1130-L1134 WeakPolarHBondContact O-CB 3.02Å; E1130-L1134 PolarHBondContact O-N 2.91Å; L1131-L1134 PolarHBondContact O-N 3.12Å; A1132-L1134 VanDerWaalsContact C-N 3.27Å; A1132-L1134 PolarHBondContact O-N 3.26Å; L1134-C1136 PolarHBondContact O-N 3.4Å; L1134-K1137 PolarHBondContact O-N 3.02Å; L1134-I1138 HydrophobicContact CG-CD1 4.34Å; L1134-I1138 VanDerWaalsContact O-CD1 3.32Å; L1134-I1138 WeakPolarHBondContact O-CD1 2.97Å; L1134-I1138 WeakPolarHBondContact O-CG1 3.28Å; L1134-I1138 PolarHBondContact O-N 2.78Å; L1134-M1191 HydrophobicContact CD1-CB 4.39Å; L1134-K1194 HydrophobicContact CD2-CB 4.26Å; L1134-K1194 HydrophobicContact CD2-CG 4.43Å; L1134-K1194 WeakPolarHBondContact CD2-O 3.42Å; L1134-L1195 HydrophobicContact CB-CD1 4.29Å; L1134-L1195 HydrophobicContact CD2-CB 4.09Å; L1134-L1195 HydrophobicContact CD2-CD1 4.33Å; L1134-L1195 HydrophobicContact CG-CB 4.3Å; L1134-L1195 HydrophobicContact CG-CD1 4.19Å; L1134-L1198 HydrophobicContact CD2-CD1 3.87Å |
| 1135 | K | 65.4 | Low | 61.8 | Low | 25 Ų | 25 | 43.2 Ų | 43.2 | 11% | 0.109 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -52.9 | -44.5 | 171.7 | -75.3 | -178.5 | 177.2 | 179.9 | 0 | 111.3 | L1131 A1132 L1195 H1199 C1221 V1225 S2217 | L1131-K1135 WeakPolarHBondContact O-CG 3.16Å; L1131-K1135 PolarHBondContact O-N 3.48Å; L1131-K1135 VanDerWaalsContact O-N 3.07Å; A1132-K1135 PolarHBondContact O-N 2.84Å; K1135-L1195 HydrophobicContact CG-CD1 3.66Å; K1135-L1195 HydrophobicContact CG-CD2 4.28Å; K1135-H1199 VanDerWaalsContact CE-CD2 3.43Å; K1135-H1199 WeakPolarHBondContact CE-CD2 3.38Å; K1135-H1199 WeakPolarHBondContact CE-NE2 3.49Å; K1135-H1199 PolarHBondContact NZ-NE2 3.16Å; K1135-C1221 HydrophobicContact CD-CB 3.9Å; K1135-V1225 HydrophobicContact CB-CG2 4Å; K1135-S2217 VanDerWaalsContact O-O 3.13Å; K1135-S2217 PolarHBondContact O-OG 3.28Å |
| 1136 | C | 65.3 | Low | 62.5 | Low | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.034 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -52.6 | -67.5 | 172.9 | -76.5 | 0 | 0 | 0 | 0 | 112.7 | A1132 N1133 L1134 I1138 A1139 V1224 Y2218 | A1132-C1136 WeakPolarHBondContact O-CB 3.05Å; A1132-C1136 PolarHBondContact O-N 3.45Å; A1132-C1136 PolarHBondContact O-SG 3.23Å; N1133-C1136 WeakPolarHBondContact O-CB 3.4Å; L1134-C1136 PolarHBondContact O-N 3.4Å; C1136-I1138 VanDerWaalsContact C-N 3.25Å; C1136-I1138 PolarHBondContact O-N 3.27Å; C1136-I1138 VanDerWaalsContact O-N 3.09Å; C1136-A1139 PolarHBondContact O-N 3.29Å; C1136-V1224 PolarHBondContact SG-O 3.48Å; C1136-Y2218 VanDerWaalsContact C-CD2 3.43Å; C1136-Y2218 HydrophobicContact CB-CD1 3.67Å; C1136-Y2218 HydrophobicContact CB-CD2 4.28Å; C1136-Y2218 HydrophobicContact CB-CE1 3.4Å; C1136-Y2218 VanDerWaalsContact CB-CE1 3.4Å; C1136-Y2218 HydrophobicContact CB-CE2 4.06Å; C1136-Y2218 HydrophobicContact CB-CG 4.1Å; C1136-Y2218 WeakPolarHBondContact O-CD2 3.16Å; C1136-Y2218 VanDerWaalsContact O-CE2 3.28Å; C1136-Y2218 WeakPolarHBondContact O-CE2 3.37Å |
| 1137 | K | 67.9 | Low | 63.2 | Low | 118 Ų | 118 | 33 Ų | 33 | 51% | 0.513 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -49.8 | -43.8 | -170.4 | -76.9 | 169.1 | -177.7 | 172.6 | 0 | 113.2 | N1133 L1134 A1139 M1191 | N1133-K1137 WeakPolarHBondContact O-CG 3.2Å; N1133-K1137 PolarHBondContact O-N 2.84Å; L1134-K1137 PolarHBondContact O-N 3.02Å; K1137-A1139 PolarHBondContact O-N 3.28Å; K1137-A1139 VanDerWaalsContact O-N 3.13Å; K1137-M1191 HydrophobicContact CB-SD 4.07Å |
| 1138 | I | 66.2 | Low | 63.6 | Low | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -53.7 | -33.1 | -179 | -67.2 | 161.7 | 0 | 0 | 0 | 112.7 | L1134 C1136 K1142 M1191 L1195 K2215 | L1134-I1138 HydrophobicContact CG-CD1 4.34Å; L1134-I1138 VanDerWaalsContact O-CD1 3.32Å; L1134-I1138 WeakPolarHBondContact O-CD1 2.97Å; L1134-I1138 WeakPolarHBondContact O-CG1 3.28Å; L1134-I1138 PolarHBondContact O-N 2.78Å; C1136-I1138 VanDerWaalsContact C-N 3.25Å; C1136-I1138 PolarHBondContact O-N 3.27Å; C1136-I1138 VanDerWaalsContact O-N 3.09Å; I1138-K1142 HydrophobicContact CG2-CD 4.28Å; I1138-K1142 WeakPolarHBondContact O-CD 3.26Å; I1138-K1142 WeakPolarHBondContact O-CG 3.24Å; I1138-M1191 HydrophobicContact CD1-CB 4.38Å; I1138-M1191 WeakPolarHBondContact CD1-O 3.16Å; I1138-M1191 HydrophobicContact CG1-CB 3.61Å; I1138-L1195 HydrophobicContact CD1-CB 3.98Å; I1138-L1195 HydrophobicContact CD1-CD2 3.71Å; I1138-L1195 HydrophobicContact CD1-CG 4.3Å; I1138-K2215 HydrophobicContact CG2-CD 3.78Å |
| 1139 | A | 66.4 | Low | 63.8 | Low | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -92 | -30.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116 | C1136 K1137 E1141 K1142 V1143 K2215 S2217 | C1136-A1139 PolarHBondContact O-N 3.29Å; K1137-A1139 PolarHBondContact O-N 3.28Å; K1137-A1139 VanDerWaalsContact O-N 3.13Å; A1139-E1141 PolarHBondContact O-N 2.99Å; A1139-K1142 PolarHBondContact O-N 3.13Å; A1139-K1142 VanDerWaalsContact O-N 3.14Å; A1139-V1143 VanDerWaalsContact O-CG2 3.3Å; A1139-V1143 WeakPolarHBondContact O-CG2 3.31Å; A1139-V1143 PolarHBondContact O-N 2.97Å; A1139-K2215 WeakPolarHBondContact CA-O 3.34Å; A1139-K2215 HydrophobicContact CB-CB 4.47Å; A1139-K2215 WeakPolarHBondContact CB-O 3.4Å; A1139-S2217 VanDerWaalsContact CB-O 3.26Å; A1139-S2217 WeakPolarHBondContact CB-O 3.5Å; A1139-S2217 VanDerWaalsContact CB-OG 3.3Å; A1139-S2217 WeakPolarHBondContact CB-OG 3.45Å |
| 1140 | S | 65.9 | Low | 63.7 | Low | 9 Ų | 9 | 26.1 Ų | 26.1 | 6% | 0.063 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.8 | -33.4 | -179.5 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | K1142 K1144 Y2218 | S1140-K1142 VanDerWaalsContact C-N 3.34Å; S1140-K1144 VanDerWaalsContact O-CB 3.32Å; S1140-K1144 WeakPolarHBondContact O-CB 3.47Å; S1140-K1144 VanDerWaalsContact O-CD 3.3Å; S1140-K1144 WeakPolarHBondContact O-CD 2.97Å; S1140-K1144 WeakPolarHBondContact O-CG 3.24Å; S1140-K1144 PolarHBondContact O-N 2.82Å; S1140-K1144 WeakPolarHBondContact OG-CE 3.46Å; S1140-K1144 PolarHBondContact OG-NZ 2.77Å; S1140-Y2218 VanDerWaalsContact CB-CD2 3.42Å |
| 1141 | E | 71.9 | Confident | 63.2 | Low | 28 Ų | 28 | 20.8 Ų | 20.8 | 13% | 0.131 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.9 | -40 | 174.1 | -62.2 | -57.5 | 95.2 | 0 | 0 | 111.4 | A1139 K1144 L1145 H1184 C1188 | A1139-E1141 PolarHBondContact O-N 2.99Å; E1141-K1144 IonicContact OE1-NZ 2.73Å; E1141-K1144 PolarHBondContact OE1-NZ 3.06Å; E1141-L1145 PolarHBondContact O-N 2.82Å; E1141-L1145 VanDerWaalsContact O-N 3.14Å; E1141-H1184 IonicContact OE2-CE1 3.56Å; E1141-H1184 PolarHBondContact OE2-CE1 3.25Å; E1141-H1184 IonicContact OE2-CG 3.21Å; E1141-H1184 IonicContact OE2-ND1 2.63Å; E1141-H1184 PolarHBondContact OE2-ND1 3.47Å; E1141-C1188 VanDerWaalsContact CB-SG 3.56Å |
| 1142 | K | 66.4 | Low | 62.8 | Low | 1 Ų | 1 | 21.6 Ų | 21.6 | 0% | 0.004 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.4 | -49.7 | 176.5 | -68.5 | 176.8 | 157.2 | -150.4 | 0 | 112.3 | I1138 A1139 S1140 K1144 L1145 E1146 C1188 D2213 F2214 K2215 | I1138-K1142 HydrophobicContact CG2-CD 4.28Å; I1138-K1142 WeakPolarHBondContact O-CD 3.26Å; I1138-K1142 WeakPolarHBondContact O-CG 3.24Å; A1139-K1142 PolarHBondContact O-N 3.13Å; A1139-K1142 VanDerWaalsContact O-N 3.14Å; S1140-K1142 VanDerWaalsContact C-N 3.34Å; K1142-K1144 VanDerWaalsContact C-N 3.33Å; K1142-K1144 PolarHBondContact O-N 2.98Å; K1142-L1145 CarbonylContact O-C 3.42Å; K1142-L1145 WeakPolarHBondContact O-CA 3.37Å; K1142-L1145 WeakPolarHBondContact O-CB 3.25Å; K1142-L1145 PolarHBondContact O-N 3.02Å; K1142-E1146 PolarHBondContact O-N 3.3Å; K1142-C1188 HydrophobicContact CG-CB 4.3Å; K1142-C1188 VanDerWaalsContact CG-SG 3.55Å; K1142-D2213 WeakPolarHBondContact CD-O 3.49Å; K1142-D2213 WeakPolarHBondContact CE-O 2.95Å; K1142-D2213 VanDerWaalsContact CG-O 3.25Å; K1142-D2213 WeakPolarHBondContact CG-O 3.31Å; K1142-D2213 PolarHBondContact NZ-O 3.41Å; K1142-D2213 IonicContact NZ-OD1 2.9Å; K1142-D2213 PolarHBondContact NZ-OD1 2.77Å; K1142-D2213 IonicContact NZ-OD2 2.99Å; K1142-D2213 PolarHBondContact NZ-OD2 3.48Å; K1142-F2214 HydrophobicContact CB-CD1 4.13Å; K1142-F2214 VanDerWaalsContact O-CE1 3.24Å; K1142-F2214 WeakPolarHBondContact O-CE1 3.01Å; K1142-K2215 HydrophobicContact CD-CB 3.57Å; K1142-K2215 HydrophobicContact CD-CD 4.4Å; K1142-K2215 HydrophobicContact CD-CG 4.18Å |
| 1143 | V | 66 | Low | 62.4 | Low | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.6 | -34.6 | 178.4 | -179 | 0 | 0 | 0 | 0 | 112.8 | A1139 L1145 E1146 F1147 N1229 T1232 F2216 | A1139-V1143 VanDerWaalsContact O-CG2 3.3Å; A1139-V1143 WeakPolarHBondContact O-CG2 3.31Å; A1139-V1143 PolarHBondContact O-N 2.97Å; V1143-L1145 VanDerWaalsContact C-N 3.34Å; V1143-E1146 VanDerWaalsContact O-CB 3.29Å; V1143-E1146 WeakPolarHBondContact O-CB 3.05Å; V1143-E1146 PolarHBondContact O-N 3.1Å; V1143-F1147 PolarHBondContact O-N 2.69Å; V1143-N1229 HydrophobicContact CB-CB 4.44Å; V1143-N1229 HydrophobicContact CG1-CB 4.2Å; V1143-N1229 HydrophobicContact CG2-CB 3.55Å; V1143-N1229 WeakPolarHBondContact CG2-OD1 3.48Å; V1143-T1232 HydrophobicContact CB-CG2 4.23Å; V1143-T1232 HydrophobicContact CG1-CG2 3.78Å; V1143-F2216 HydrophobicContact CB-CE2 4.34Å; V1143-F2216 HydrophobicContact CB-CZ 4.44Å; V1143-F2216 HydrophobicContact CG1-CE1 4.22Å; V1143-F2216 HydrophobicContact CG1-CE2 3.97Å; V1143-F2216 HydrophobicContact CG1-CZ 3.64Å; V1143-F2216 HydrophobicContact CG2-CD1 4.36Å; V1143-F2216 HydrophobicContact CG2-CD2 3.82Å; V1143-F2216 HydrophobicContact CG2-CE1 4.35Å; V1143-F2216 HydrophobicContact CG2-CE2 3.83Å; V1143-F2216 HydrophobicContact CG2-CG 4.06Å; V1143-F2216 HydrophobicContact CG2-CZ 4.08Å |
| 1144 | K | 63.5 | Low | 61.6 | Low | 47 Ų | 47 | 21.1 Ų | 21.1 | 20% | 0.204 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.3 | -47 | 171.3 | -78.3 | 165.4 | -174.1 | 125.9 | 0 | 110.5 | S1140 E1141 K1142 Y1148 T1232 | S1140-K1144 VanDerWaalsContact O-CB 3.32Å; S1140-K1144 WeakPolarHBondContact O-CB 3.47Å; S1140-K1144 VanDerWaalsContact O-CD 3.3Å; S1140-K1144 WeakPolarHBondContact O-CD 2.97Å; S1140-K1144 WeakPolarHBondContact O-CG 3.24Å; S1140-K1144 PolarHBondContact O-N 2.82Å; S1140-K1144 WeakPolarHBondContact OG-CE 3.46Å; S1140-K1144 PolarHBondContact OG-NZ 2.77Å; E1141-K1144 IonicContact OE1-NZ 2.73Å; E1141-K1144 PolarHBondContact OE1-NZ 3.06Å; K1142-K1144 VanDerWaalsContact C-N 3.33Å; K1142-K1144 PolarHBondContact O-N 2.98Å; K1144-Y1148 HydrophobicContact CB-CE2 4.3Å; K1144-Y1148 WeakPolarHBondContact O-CD2 3.35Å; K1144-Y1148 PolarHBondContact O-N 2.95Å; K1144-T1232 HydrophobicContact CG-CG2 4.03Å |
| 1145 | L | 63.7 | Low | 60.4 | Low | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.8 | -45.7 | 175.5 | 175.2 | 79 | 0 | 0 | 0 | 111.3 | E1141 K1142 V1143 F1147 Y1148 K1149 A1181 M2212 F2214 | E1141-L1145 PolarHBondContact O-N 2.82Å; E1141-L1145 VanDerWaalsContact O-N 3.14Å; K1142-L1145 CarbonylContact O-C 3.42Å; K1142-L1145 WeakPolarHBondContact O-CA 3.37Å; K1142-L1145 WeakPolarHBondContact O-CB 3.25Å; K1142-L1145 PolarHBondContact O-N 3.02Å; V1143-L1145 VanDerWaalsContact C-N 3.34Å; L1145-F1147 VanDerWaalsContact C-N 3.32Å; L1145-F1147 PolarHBondContact O-N 2.84Å; L1145-Y1148 CarbonylContact O-C 3.2Å; L1145-Y1148 PolarHBondContact O-N 3.33Å; L1145-K1149 HydrophobicContact CD1-CD 4.16Å; L1145-K1149 HydrophobicContact CD1-CG 4.16Å; L1145-K1149 HydrophobicContact CD2-CD 3.99Å; L1145-K1149 HydrophobicContact CG-CD 3.95Å; L1145-K1149 HydrophobicContact CG-CG 4.26Å; L1145-K1149 PolarHBondContact O-N 3.33Å; L1145-A1181 HydrophobicContact CD1-CB 3.53Å; L1145-A1181 WeakPolarHBondContact CD1-O 3.44Å; L1145-M2212 HydrophobicContact CB-CE 4.34Å; L1145-M2212 HydrophobicContact CB-SD 3.92Å; L1145-M2212 HydrophobicContact CD1-CE 3.5Å; L1145-M2212 HydrophobicContact CD1-SD 4.18Å; L1145-M2212 HydrophobicContact CD2-CB 3.42Å; L1145-M2212 VanDerWaalsContact CD2-CB 3.42Å; L1145-M2212 HydrophobicContact CD2-CE 3.42Å; L1145-M2212 VanDerWaalsContact CD2-CE 3.42Å; L1145-M2212 HydrophobicContact CD2-CG 3.52Å; L1145-M2212 HydrophobicContact CD2-SD 3.26Å; L1145-M2212 WeakPolarHBondContact CD2-SD 3.27Å; L1145-M2212 HydrophobicContact CG-CE 3.88Å; L1145-M2212 HydrophobicContact CG-SD 3.91Å; L1145-F2214 HydrophobicContact CB-CE1 3.81Å; L1145-F2214 HydrophobicContact CB-CZ 4.38Å; L1145-F2214 HydrophobicContact CD2-CD1 4.23Å; L1145-F2214 HydrophobicContact CD2-CE1 3.22Å; L1145-F2214 HydrophobicContact CD2-CZ 3.63Å; L1145-F2214 HydrophobicContact CG-CE1 3.67Å; L1145-F2214 HydrophobicContact CG-CZ 3.91Å |
| 1146 | E | 61.5 | Low | 59.4 | Low | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.019 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -44.2 | -62.5 | 175.5 | -138.7 | 128.8 | -175.1 | 0 | 0 | 108.2 | K1142 V1143 Y1148 K1149 T1150 F2029 I2032 F2214 F2216 | K1142-E1146 PolarHBondContact O-N 3.3Å; V1143-E1146 VanDerWaalsContact O-CB 3.29Å; V1143-E1146 WeakPolarHBondContact O-CB 3.05Å; V1143-E1146 PolarHBondContact O-N 3.1Å; E1146-Y1148 PolarHBondContact O-N 3.3Å; E1146-K1149 CarbonylContact O-C 3.39Å; E1146-K1149 PolarHBondContact O-N 2.99Å; E1146-T1150 PolarHBondContact O-N 2.97Å; E1146-T1150 PolarHBondContact O-OG1 2.79Å; E1146-T1150 VanDerWaalsContact O-OG1 3.13Å; E1146-F2029 HydrophobicContact CB-CE1 3.72Å; E1146-F2029 HydrophobicContact CG-CD1 4Å; E1146-F2029 HydrophobicContact CG-CE1 3.3Å; E1146-F2029 HydrophobicContact CG-CZ 4.13Å; E1146-F2029 WeakPolarHBondContact O-CE1 3.4Å; E1146-F2029 WeakPolarHBondContact O-CZ 3.25Å; E1146-I2032 HydrophobicContact CG-CD1 4.49Å; E1146-F2214 HydrophobicContact CB-CD1 4.34Å; E1146-F2214 HydrophobicContact CB-CD2 4.38Å; E1146-F2214 HydrophobicContact CB-CE1 3.85Å; E1146-F2214 HydrophobicContact CB-CE2 3.85Å; E1146-F2214 HydrophobicContact CB-CZ 3.65Å; E1146-F2214 VanDerWaalsContact CD-CE2 3.46Å; E1146-F2214 HydrophobicContact CG-CD1 4.23Å; E1146-F2214 HydrophobicContact CG-CD2 3.54Å; E1146-F2214 HydrophobicContact CG-CE1 4.07Å; E1146-F2214 HydrophobicContact CG-CE2 3.3Å; E1146-F2214 HydrophobicContact CG-CG 4.02Å; E1146-F2214 HydrophobicContact CG-CZ 3.68Å; E1146-F2214 VanDerWaalsContact N-CE1 3.33Å; E1146-F2214 VanDerWaalsContact N-CZ 3.28Å; E1146-F2214 VanDerWaalsContact OE1-CB 3.28Å; E1146-F2214 WeakPolarHBondContact OE1-CB 3.42Å; E1146-F2214 WeakPolarHBondContact OE1-CD2 3.47Å; E1146-F2214 VanDerWaalsContact OE1-CG 3.25Å; E1146-F2214 WeakPolarHBondContact OE1-CG 3.24Å; E1146-F2214 WeakPolarHBondContact OE2-CB 3.21Å; E1146-F2214 WeakPolarHBondContact OE2-CD1 3.47Å; E1146-F2214 VanDerWaalsContact OE2-CG 3.26Å; E1146-F2214 WeakPolarHBondContact OE2-CG 3.22Å; E1146-F2216 HydrophobicContact CB-CE2 4.29Å; E1146-F2216 HydrophobicContact CG-CD2 4.48Å; E1146-F2216 HydrophobicContact CG-CE2 3.78Å; E1146-F2216 VanDerWaalsContact OE2-CD2 3.3Å; E1146-F2216 WeakPolarHBondContact OE2-CD2 3.09Å; E1146-F2216 VanDerWaalsContact OE2-CE2 3.31Å; E1146-F2216 WeakPolarHBondContact OE2-CE2 3.18Å |
| 1147 | F | 61.9 | Low | 58.8 | Low | 22 Ų | 22 | 30.1 Ų | 30.1 | 10% | 0.096 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.6 | -41.8 | 177.5 | 179.5 | -101.3 | 0 | 0 | 0 | 114.9 | V1143 L1145 K1149 T1150 C1151 P1158 H1160 L1236 | V1143-F1147 PolarHBondContact O-N 2.69Å; L1145-F1147 VanDerWaalsContact C-N 3.32Å; L1145-F1147 PolarHBondContact O-N 2.84Å; F1147-K1149 PolarHBondContact O-N 3Å; F1147-T1150 WeakPolarHBondContact CA-OG1 3.09Å; F1147-T1150 WeakPolarHBondContact O-CB 3.47Å; F1147-T1150 PolarHBondContact O-N 2.78Å; F1147-T1150 VanDerWaalsContact O-N 3.16Å; F1147-T1150 PolarHBondContact O-OG1 2.86Å; F1147-C1151 WeakPolarHBondContact CZ-SG 3.25Å; F1147-C1151 PolarHBondContact O-N 3.1Å; F1147-C1151 PolarHBondContact O-SG 2.84Å; F1147-P1158 HydrophobicContact CE1-CB 3.87Å; F1147-P1158 HydrophobicContact CE1-CG 3.63Å; F1147-P1158 HydrophobicContact CZ-CB 3.5Å; F1147-P1158 VanDerWaalsContact CZ-CB 3.5Å; F1147-P1158 HydrophobicContact CZ-CG 3.74Å; F1147-H1160 AromaticContact CE1-CE1 3.41Å; F1147-H1160 VanDerWaalsContact CE1-CE1 3.41Å; F1147-H1160 WeakPolarHBondContact CE1-CE1 3.48Å; F1147-H1160 AromaticContact CE1-NE2 3.48Å; F1147-H1160 WeakPolarHBondContact CE1-NE2 3.32Å; F1147-H1160 AromaticContact CZ-CE1 3.88Å; F1147-L1236 HydrophobicContact CB-CD1 3.58Å; F1147-L1236 HydrophobicContact CD1-CB 3.84Å; F1147-L1236 HydrophobicContact CD1-CD1 3.68Å; F1147-L1236 HydrophobicContact CD1-CD2 3.78Å; F1147-L1236 HydrophobicContact CD1-CG 3.95Å; F1147-L1236 HydrophobicContact CD2-CB 3.59Å; F1147-L1236 HydrophobicContact CD2-CD1 4.24Å; F1147-L1236 HydrophobicContact CD2-CG 4.45Å; F1147-L1236 HydrophobicContact CE1-CB 3.79Å; F1147-L1236 HydrophobicContact CE1-CD1 4.39Å; F1147-L1236 HydrophobicContact CE1-CD2 3.77Å; F1147-L1236 HydrophobicContact CE1-CG 4.17Å; F1147-L1236 HydrophobicContact CE2-CB 3.54Å; F1147-L1236 HydrophobicContact CG-CB 3.7Å; F1147-L1236 HydrophobicContact CG-CD1 3.55Å; F1147-L1236 HydrophobicContact CG-CD2 4.39Å; F1147-L1236 HydrophobicContact CG-CG 4.06Å; F1147-L1236 HydrophobicContact CZ-CB 3.6Å; F1147-L1236 HydrophobicContact CZ-CD2 4.38Å; F1147-L1236 HydrophobicContact CZ-CG 4.47Å |
| 1148 | Y | 60.5 | Low | 58.2 | Low | 37 Ų | 37 | 24.5 Ų | 24.5 | 15% | 0.145 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.5 | -27.2 | 177.8 | -70.1 | -46 | 0 | 0 | 0 | 112.9 | K1144 L1145 E1146 I1152 H1160 L1177 L1180 | K1144-Y1148 HydrophobicContact CB-CE2 4.3Å; K1144-Y1148 WeakPolarHBondContact O-CD2 3.35Å; K1144-Y1148 PolarHBondContact O-N 2.95Å; L1145-Y1148 CarbonylContact O-C 3.2Å; L1145-Y1148 PolarHBondContact O-N 3.33Å; E1146-Y1148 PolarHBondContact O-N 3.3Å; Y1148-I1152 WeakPolarHBondContact O-CD1 3.22Å; Y1148-I1152 VanDerWaalsContact O-CG1 3.23Å; Y1148-I1152 WeakPolarHBondContact O-CG1 3.28Å; Y1148-I1152 PolarHBondContact O-N 2.69Å; Y1148-H1160 AromaticContact CE1-NE2 3.76Å; Y1148-L1177 HydrophobicContact CD1-CD2 4.1Å; Y1148-L1180 HydrophobicContact CD1-CD2 4.19Å; Y1148-L1180 HydrophobicContact CD2-CD2 3.84Å; Y1148-L1180 HydrophobicContact CD2-CG 4.35Å; Y1148-L1180 HydrophobicContact CE1-CD2 3.98Å; Y1148-L1180 HydrophobicContact CE2-CD2 3.58Å; Y1148-L1180 HydrophobicContact CE2-CG 4.32Å; Y1148-L1180 HydrophobicContact CG-CD2 4.16Å |
| 1149 | K | 57.7 | Low | 57.5 | Low | 7 Ų | 7 | 33.3 Ų | 33.3 | 3% | 0.03 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -79 | -33 | 169.9 | -70.6 | 176.7 | 175.5 | 165.6 | 0 | 112.1 | L1145 E1146 F1147 C1151 I1152 S1153 A1181 L2204 C2206 F2214 | L1145-K1149 HydrophobicContact CD1-CD 4.16Å; L1145-K1149 HydrophobicContact CD1-CG 4.16Å; L1145-K1149 HydrophobicContact CD2-CD 3.99Å; L1145-K1149 HydrophobicContact CG-CD 3.95Å; L1145-K1149 HydrophobicContact CG-CG 4.26Å; L1145-K1149 PolarHBondContact O-N 3.33Å; E1146-K1149 CarbonylContact O-C 3.39Å; E1146-K1149 PolarHBondContact O-N 2.99Å; F1147-K1149 PolarHBondContact O-N 3Å; K1149-C1151 VanDerWaalsContact C-N 3.3Å; K1149-C1151 PolarHBondContact O-N 3.47Å; K1149-I1152 HydrophobicContact CG-CD1 4.21Å; K1149-I1152 WeakPolarHBondContact O-CA 3.46Å; K1149-I1152 VanDerWaalsContact O-CB 3.31Å; K1149-I1152 WeakPolarHBondContact O-CB 3.47Å; K1149-I1152 PolarHBondContact O-N 3.08Å; K1149-S1153 PolarHBondContact O-N 3.33Å; K1149-S1153 PolarHBondContact O-OG 3.13Å; K1149-A1181 HydrophobicContact CG-CB 4.36Å; K1149-L2204 HydrophobicContact CB-CD2 3.32Å; K1149-L2204 HydrophobicContact CD-CB 3.96Å; K1149-L2204 HydrophobicContact CD-CD2 3.31Å; K1149-L2204 HydrophobicContact CD-CG 3.83Å; K1149-L2204 HydrophobicContact CG-CD2 3.96Å; K1149-L2204 PolarHBondContact NZ-O 3.18Å; K1149-C2206 WeakPolarHBondContact CE-SG 3.07Å; K1149-F2214 HydrophobicContact CD-CZ 4.16Å |
| 1150 | T | 53 | Low | 57 | Low | 13 Ų | 13 | 35.5 Ų | 35.5 | 8% | 0.08 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -53.8 | -49.3 | 166.5 | -33.1 | 0 | 0 | 0 | 0 | 111.1 | E1146 F1147 I1152 S1153 T1154 D2027 F2029 | E1146-T1150 PolarHBondContact O-N 2.97Å; E1146-T1150 PolarHBondContact O-OG1 2.79Å; E1146-T1150 VanDerWaalsContact O-OG1 3.13Å; F1147-T1150 WeakPolarHBondContact CA-OG1 3.09Å; F1147-T1150 WeakPolarHBondContact O-CB 3.47Å; F1147-T1150 PolarHBondContact O-N 2.78Å; F1147-T1150 VanDerWaalsContact O-N 3.16Å; F1147-T1150 PolarHBondContact O-OG1 2.86Å; T1150-I1152 PolarHBondContact O-N 3.41Å; T1150-S1153 PolarHBondContact O-N 3.41Å; T1150-T1154 HydrophobicContact CG2-CG2 3.89Å; T1150-T1154 WeakPolarHBondContact O-CB 3.01Å; T1150-T1154 WeakPolarHBondContact O-CG2 3.06Å; T1150-T1154 PolarHBondContact O-N 2.92Å; T1150-T1154 PolarHBondContact O-OG1 2.83Å; T1150-D2027 HydrophobicContact CG2-CB 4.49Å; T1150-D2027 WeakPolarHBondContact CG2-OD2 3.44Å; T1150-F2029 HydrophobicContact CG2-CD2 3.51Å; T1150-F2029 HydrophobicContact CG2-CE2 3.7Å; T1150-F2029 HydrophobicContact CG2-CG 4.1Å; T1150-F2029 HydrophobicContact CG2-CZ 4.35Å; T1150-F2029 WeakPolarHBondContact OG1-CD1 3.12Å; T1150-F2029 WeakPolarHBondContact OG1-CD2 3.47Å; T1150-F2029 WeakPolarHBondContact OG1-CE1 3.28Å; T1150-F2029 WeakPolarHBondContact OG1-CE2 3.36Å; T1150-F2029 WeakPolarHBondContact OG1-CZ 3.48Å |
| 1151 | C | 49.3 | Very low | 56.3 | Low | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.02 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -74.1 | -10.4 | -178.5 | -64.3 | 0 | 0 | 0 | 0 | 113.4 | F1147 K1149 I1156 P1158 L1177 | F1147-C1151 WeakPolarHBondContact CZ-SG 3.25Å; F1147-C1151 PolarHBondContact O-N 3.1Å; F1147-C1151 PolarHBondContact O-SG 2.84Å; K1149-C1151 VanDerWaalsContact C-N 3.3Å; K1149-C1151 PolarHBondContact O-N 3.47Å; C1151-I1156 PolarHBondContact SG-O 3.47Å; C1151-I1156 VanDerWaalsContact SG-O 3.37Å; C1151-P1158 HydrophobicContact CB-CG 4.22Å; C1151-P1158 VanDerWaalsContact SG-CD 3.57Å; C1151-L1177 HydrophobicContact CB-CD1 4.38Å; C1151-L1177 HydrophobicContact CB-CD2 3.97Å; C1151-L1177 WeakPolarHBondContact O-CD1 3.45Å |
| 1152 | I | 51.1 | Low | 55.2 | Low | 17 Ų | 17 | 39.1 Ų | 39.1 | 9% | 0.087 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -76.7 | -57.4 | 165.3 | -75.9 | 159.4 | 0 | 0 | 0 | 109.4 | Y1148 K1149 T1150 H1155 V1174 L1177 L1178 A1181 | Y1148-I1152 WeakPolarHBondContact O-CD1 3.22Å; Y1148-I1152 VanDerWaalsContact O-CG1 3.23Å; Y1148-I1152 WeakPolarHBondContact O-CG1 3.28Å; Y1148-I1152 PolarHBondContact O-N 2.69Å; K1149-I1152 HydrophobicContact CG-CD1 4.21Å; K1149-I1152 WeakPolarHBondContact O-CA 3.46Å; K1149-I1152 VanDerWaalsContact O-CB 3.31Å; K1149-I1152 WeakPolarHBondContact O-CB 3.47Å; K1149-I1152 PolarHBondContact O-N 3.08Å; T1150-I1152 PolarHBondContact O-N 3.41Å; I1152-H1155 PolarHBondContact O-CD2 2.78Å; I1152-H1155 VanDerWaalsContact O-CD2 3.28Å; I1152-V1174 HydrophobicContact CB-CG1 4.2Å; I1152-V1174 HydrophobicContact CG1-CG1 4.05Å; I1152-V1174 HydrophobicContact CG2-CG1 3.7Å; I1152-L1177 HydrophobicContact CD1-CB 4.07Å; I1152-L1177 HydrophobicContact CG1-CB 3.52Å; I1152-L1177 HydrophobicContact CG1-CD1 4.14Å; I1152-L1177 HydrophobicContact CG1-CD2 4.4Å; I1152-L1177 HydrophobicContact CG1-CG 4.24Å; I1152-L1178 HydrophobicContact CD1-CB 3.9Å; I1152-L1178 HydrophobicContact CD1-CD1 3.87Å; I1152-L1178 HydrophobicContact CD1-CG 3.65Å; I1152-L1178 HydrophobicContact CG1-CD1 4.45Å; I1152-L1178 HydrophobicContact CG2-CD1 4.1Å; I1152-A1181 HydrophobicContact CD1-CB 4.04Å |
| 1153 | S | 51.2 | Low | 54.1 | Low | 43 Ų | 43 | 45.9 Ų | 45.9 | 30% | 0.301 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -79.1 | -36.4 | -170.1 | 36.4 | 0 | 0 | 0 | 0 | 114.2 | K1149 T1150 H1155 D2189 | K1149-S1153 PolarHBondContact O-N 3.33Å; K1149-S1153 PolarHBondContact O-OG 3.13Å; T1150-S1153 PolarHBondContact O-N 3.41Å; S1153-H1155 VanDerWaalsContact C-N 3.26Å; S1153-H1155 PolarHBondContact O-N 2.77Å; S1153-D2189 WeakPolarHBondContact CB-OD2 3.33Å; S1153-D2189 PolarHBondContact OG-OD2 3.37Å |
| 1154 | T | 49.1 | Very low | 53.2 | Low | 36 Ų | 36 | 47.8 Ų | 47.8 | 22% | 0.221 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -76.1 | -11.9 | 175 | 62.8 | 0 | 0 | 0 | 0 | 113.4 | T1150 I1156 D2027 | T1150-T1154 HydrophobicContact CG2-CG2 3.89Å; T1150-T1154 WeakPolarHBondContact O-CB 3.01Å; T1150-T1154 WeakPolarHBondContact O-CG2 3.06Å; T1150-T1154 PolarHBondContact O-N 2.92Å; T1150-T1154 PolarHBondContact O-OG1 2.83Å; T1154-I1156 PolarHBondContact O-N 3.35Å; T1154-I1156 WeakPolarHBondContact OG1-CB 3.23Å; T1154-I1156 PolarHBondContact OG1-N 2.8Å; T1154-D2027 HydrophobicContact CG2-CB 3.84Å |
| 1155 | H | 43.9 | Very low | 52.2 | Low | 108 Ų | 108 | 45.6 Ų | 45.6 | 50% | 0.5 | 21% | 0.206 | S | C | . | . | trans | 54.9 | 5.7 | -167.7 | -77.8 | -121.7 | 0 | 0 | 0 | 115.3 | I1152 S1153 F1157 | I1152-H1155 PolarHBondContact O-CD2 2.78Å; I1152-H1155 VanDerWaalsContact O-CD2 3.28Å; S1153-H1155 VanDerWaalsContact C-N 3.26Å; S1153-H1155 PolarHBondContact O-N 2.77Å; H1155-F1157 WeakPolarHBondContact O-CD2 3.33Å; H1155-F1157 PolarHBondContact O-N 3.48Å | ||
| 1156 | I | 45.1 | Very low | 51.2 | Low | 81 Ų | 81 | 55 Ų | 55 | 42% | 0.415 | 24% | 0.242 | S | C | . | . | trans | -73.3 | 102.7 | 178.1 | -62.7 | 172.2 | 0 | 0 | 0 | 108.7 | C1151 T1154 P1158 L1240 | C1151-I1156 PolarHBondContact SG-O 3.47Å; C1151-I1156 VanDerWaalsContact SG-O 3.37Å; T1154-I1156 PolarHBondContact O-N 3.35Å; T1154-I1156 WeakPolarHBondContact OG1-CB 3.23Å; T1154-I1156 PolarHBondContact OG1-N 2.8Å; I1156-P1158 VanDerWaalsContact O-CD 3.25Å; I1156-P1158 WeakPolarHBondContact O-CD 3.47Å; I1156-L1240 HydrophobicContact CG2-CD2 3.41Å; I1156-L1240 VanDerWaalsContact CG2-CD2 3.41Å | ||
| 1157 | F | 52.6 | Low | 50.3 | Low | 57 Ų | 57 | 57.4 Ų | 57.4 | 25% | 0.25 | 26% | 0.259 | C | S | . | . | trans | -79.5 | 110.9 | -175.4 | -58.7 | -58.2 | 0 | 0 | 0 | 112.2 | H1155 L1161 Y1162 P1172 L1177 | H1155-F1157 WeakPolarHBondContact O-CD2 3.33Å; H1155-F1157 PolarHBondContact O-N 3.48Å; F1157-L1161 HydrophobicContact CB-CD2 4.34Å; F1157-L1161 HydrophobicContact CD1-CD2 3.73Å; F1157-L1161 HydrophobicContact CG-CD2 4.47Å; F1157-Y1162 HydrophobicContact CB-CD2 4.38Å; F1157-Y1162 HydrophobicContact CB-CE2 3.6Å; F1157-Y1162 WeakPolarHBondContact O-CE2 3.39Å; F1157-P1172 HydrophobicContact CB-CB 4.14Å; F1157-P1172 HydrophobicContact CD1-CB 3.73Å; F1157-P1172 HydrophobicContact CD2-CB 3.57Å; F1157-P1172 HydrophobicContact CD2-CG 4.49Å; F1157-P1172 HydrophobicContact CE1-CB 3.95Å; F1157-P1172 HydrophobicContact CE2-CB 3.8Å; F1157-P1172 HydrophobicContact CG-CB 3.53Å; F1157-P1172 HydrophobicContact CZ-CB 3.98Å; F1157-P1172 WeakPolarHBondContact CZ-O 3.3Å; F1157-L1177 HydrophobicContact CD1-CD1 4.31Å; F1157-L1177 HydrophobicContact CE1-CD1 4.32Å | ||
| 1158 | P | 54.6 | Low | 49.1 | Very low | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -78.9 | 150.1 | -172.5 | 34.4 | -37.3 | 0 | 0 | 0 | 111.2 | F1147 C1151 I1156 H1160 L1161 T1239 | F1147-P1158 HydrophobicContact CE1-CB 3.87Å; F1147-P1158 HydrophobicContact CE1-CG 3.63Å; F1147-P1158 HydrophobicContact CZ-CB 3.5Å; F1147-P1158 VanDerWaalsContact CZ-CB 3.5Å; F1147-P1158 HydrophobicContact CZ-CG 3.74Å; C1151-P1158 HydrophobicContact CB-CG 4.22Å; C1151-P1158 VanDerWaalsContact SG-CD 3.57Å; I1156-P1158 VanDerWaalsContact O-CD 3.25Å; I1156-P1158 WeakPolarHBondContact O-CD 3.47Å; P1158-H1160 PolarHBondContact O-N 2.72Å; P1158-L1161 HydrophobicContact CG-CB 3.75Å; P1158-L1161 WeakPolarHBondContact O-CB 3.4Å; P1158-L1161 PolarHBondContact O-N 2.99Å; P1158-T1239 WeakPolarHBondContact CB-OG1 3.31Å | ||
| 1159 | R | 52.4 | Low | 48.1 | Very low | 185 Ų | 185 | 60.7 Ų | 60.7 | 70% | 0.698 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -23.6 | -170.7 | -157.6 | 177.3 | -172.9 | -179.2 | 5.1 | 115.4 | T1239 | R1159-T1239 HydrophobicContact CB-CG2 4.12Å; R1159-T1239 PolarHBondContact N-O 3.23Å |
| 1160 | H | 55.7 | Low | 47.3 | Very low | 47 Ų | 47 | 61 Ų | 61 | 22% | 0.218 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -18.6 | 178.3 | 60.4 | -87.9 | 0 | 0 | 0 | 114.1 | F1147 Y1148 P1158 K1163 F1164 L1236 T1239 | F1147-H1160 AromaticContact CE1-CE1 3.41Å; F1147-H1160 VanDerWaalsContact CE1-CE1 3.41Å; F1147-H1160 WeakPolarHBondContact CE1-CE1 3.48Å; F1147-H1160 AromaticContact CE1-NE2 3.48Å; F1147-H1160 WeakPolarHBondContact CE1-NE2 3.32Å; F1147-H1160 AromaticContact CZ-CE1 3.88Å; Y1148-H1160 AromaticContact CE1-NE2 3.76Å; P1158-H1160 PolarHBondContact O-N 2.72Å; H1160-K1163 WeakPolarHBondContact O-CA 3.33Å; H1160-K1163 VanDerWaalsContact O-CB 3.24Å; H1160-K1163 WeakPolarHBondContact O-CB 3.03Å; H1160-K1163 PolarHBondContact O-N 3.45Å; H1160-F1164 PolarHBondContact O-N 2.65Å; H1160-F1164 VanDerWaalsContact O-N 3.15Å; H1160-L1236 WeakPolarHBondContact CE1-CD2 3.22Å; H1160-L1236 WeakPolarHBondContact NE2-CD2 3.41Å; H1160-T1239 PolarHBondContact CE1-OG1 2.93Å; H1160-T1239 PolarHBondContact ND1-OG1 3.08Å |
| 1161 | L | 51 | Low | 47.1 | Very low | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 168.4 | 178.6 | 70.4 | 0 | 0 | 0 | 110.1 | F1157 P1158 K1163 F1164 L1165 L1177 | F1157-L1161 HydrophobicContact CB-CD2 4.34Å; F1157-L1161 HydrophobicContact CD1-CD2 3.73Å; F1157-L1161 HydrophobicContact CG-CD2 4.47Å; P1158-L1161 HydrophobicContact CG-CB 3.75Å; P1158-L1161 WeakPolarHBondContact O-CB 3.4Å; P1158-L1161 PolarHBondContact O-N 2.99Å; L1161-K1163 PolarHBondContact O-N 2.75Å; L1161-F1164 HydrophobicContact CD1-CD1 4.36Å; L1161-F1164 PolarHBondContact O-N 3.36Å; L1161-L1165 HydrophobicContact CD1-CD1 4.25Å; L1161-L1165 HydrophobicContact CD1-CG 4.11Å; L1161-L1165 HydrophobicContact CD2-CD1 3.97Å; L1161-L1165 HydrophobicContact CG-CD1 3.59Å; L1161-L1165 HydrophobicContact CG-CG 3.95Å; L1161-L1165 WeakPolarHBondContact O-CB 3.37Å; L1161-L1165 VanDerWaalsContact O-CG 3.22Å; L1161-L1165 WeakPolarHBondContact O-CG 3.07Å; L1161-L1165 PolarHBondContact O-N 3.45Å; L1161-L1177 HydrophobicContact CD1-CD2 3.71Å; L1161-L1177 HydrophobicContact CD1-CG 3.68Å; L1161-L1177 HydrophobicContact CD2-CD1 3.57Å; L1161-L1177 HydrophobicContact CD2-CD2 3.89Å; L1161-L1177 HydrophobicContact CD2-CG 3.55Å; L1161-L1177 HydrophobicContact CG-CD2 4.35Å; L1161-L1177 HydrophobicContact CG-CG 4.24Å |
| 1162 | Y | 49.5 | Very low | 46.9 | Very low | 110 Ų | 110 | 67.4 Ų | 67.4 | 43% | 0.431 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -49.2 | -25 | 170 | -76.7 | -92.8 | 0 | 0 | 0 | 113.6 | F1157 R1166 P1172 | F1157-Y1162 HydrophobicContact CB-CD2 4.38Å; F1157-Y1162 HydrophobicContact CB-CE2 3.6Å; F1157-Y1162 WeakPolarHBondContact O-CE2 3.39Å; Y1162-R1166 VanDerWaalsContact O-CB 3.28Å; Y1162-R1166 WeakPolarHBondContact O-CB 3.38Å; Y1162-R1166 WeakPolarHBondContact O-CG 2.88Å; Y1162-R1166 PolarHBondContact O-N 3.49Å; Y1162-R1166 VanDerWaalsContact O-N 3.09Å; Y1162-P1172 HydrophobicContact CD1-CG 3.67Å; Y1162-P1172 HydrophobicContact CE1-CB 4.45Å; Y1162-P1172 HydrophobicContact CE1-CG 3.21Å; Y1162-P1172 HydrophobicContact CE2-CG 4.24Å; Y1162-P1172 HydrophobicContact CG-CG 4.36Å |
| 1163 | K | 43.6 | Very low | 46.9 | Very low | 143 Ų | 143 | 66.7 Ų | 66.7 | 62% | 0.622 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -85 | -41.6 | 178.5 | -153.2 | 162.8 | -173 | 163.3 | 0 | 112.3 | H1160 L1161 S1167 | H1160-K1163 WeakPolarHBondContact O-CA 3.33Å; H1160-K1163 VanDerWaalsContact O-CB 3.24Å; H1160-K1163 WeakPolarHBondContact O-CB 3.03Å; H1160-K1163 PolarHBondContact O-N 3.45Å; L1161-K1163 PolarHBondContact O-N 2.75Å; K1163-S1167 PolarHBondContact O-N 2.76Å; K1163-S1167 PolarHBondContact O-OG 2.6Å; K1163-S1167 VanDerWaalsContact O-OG 3.06Å |
| 1164 | F | 46 | Very low | 47.1 | Very low | 41 Ų | 41 | 65.1 Ų | 65.1 | 18% | 0.18 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 170.7 | 173 | -110.1 | 0 | 0 | 0 | 111.8 | H1160 L1161 S1167 N1168 L1180 K1780 | H1160-F1164 PolarHBondContact O-N 2.65Å; H1160-F1164 VanDerWaalsContact O-N 3.15Å; L1161-F1164 HydrophobicContact CD1-CD1 4.36Å; L1161-F1164 PolarHBondContact O-N 3.36Å; F1164-S1167 WeakPolarHBondContact CA-OG 3.26Å; F1164-S1167 PolarHBondContact O-N 3.13Å; F1164-S1167 PolarHBondContact O-OG 2.74Å; F1164-N1168 WeakPolarHBondContact CD2-ND2 3.19Å; F1164-N1168 WeakPolarHBondContact CE2-ND2 2.96Å; F1164-N1168 WeakPolarHBondContact CZ-ND2 3.22Å; F1164-N1168 PolarHBondContact O-N 2.93Å; F1164-N1168 PolarHBondContact O-ND2 2.76Å; F1164-L1180 HydrophobicContact CE1-CD1 4.43Å; F1164-L1180 HydrophobicContact CE2-CD1 4.15Å; F1164-L1180 HydrophobicContact CZ-CD1 4.05Å; F1164-K1780 HydrophobicContact CE2-CD 4.42Å |
| 1165 | L | 43.3 | Very low | 47.5 | Very low | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63 | -54.1 | 175.5 | -65.4 | 168.6 | 0 | 0 | 0 | 110.4 | L1161 S1167 N1168 K1169 L1170 P1172 N1176 | L1161-L1165 HydrophobicContact CD1-CD1 4.25Å; L1161-L1165 HydrophobicContact CD1-CG 4.11Å; L1161-L1165 HydrophobicContact CD2-CD1 3.97Å; L1161-L1165 HydrophobicContact CG-CD1 3.59Å; L1161-L1165 HydrophobicContact CG-CG 3.95Å; L1161-L1165 WeakPolarHBondContact O-CB 3.37Å; L1161-L1165 VanDerWaalsContact O-CG 3.22Å; L1161-L1165 WeakPolarHBondContact O-CG 3.07Å; L1161-L1165 PolarHBondContact O-N 3.45Å; L1165-S1167 VanDerWaalsContact C-N 3.32Å; L1165-S1167 PolarHBondContact O-N 3.41Å; L1165-N1168 CarbonylContact O-C 3.29Å; L1165-N1168 VanDerWaalsContact O-C 3.23Å; L1165-N1168 WeakPolarHBondContact O-CA 3.46Å; L1165-N1168 PolarHBondContact O-N 3.41Å; L1165-K1169 PolarHBondContact O-N 3.26Å; L1165-L1170 CarbonylContact C-O 3.16Å; L1165-L1170 HydrophobicContact CB-CB 4.12Å; L1165-L1170 WeakPolarHBondContact CB-O 3.33Å; L1165-L1170 HydrophobicContact CD2-CB 3.81Å; L1165-L1170 PolarHBondContact O-N 2.98Å; L1165-P1172 VanDerWaalsContact CD1-CA 3.45Å; L1165-P1172 HydrophobicContact CD1-CB 3.92Å; L1165-P1172 HydrophobicContact CD1-CG 4.06Å; L1165-N1176 HydrophobicContact CD2-CB 3.56Å |
| 1166 | R | 42.2 | Very low | 48 | Very low | 199 Ų | 199 | 59 Ų | 59 | 75% | 0.751 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -57 | -37.7 | 176 | -87.8 | -176.2 | 160.8 | -168.2 | -6.8 | 114.1 | Y1162 N1168 K1169 | Y1162-R1166 VanDerWaalsContact O-CB 3.28Å; Y1162-R1166 WeakPolarHBondContact O-CB 3.38Å; Y1162-R1166 WeakPolarHBondContact O-CG 2.88Å; Y1162-R1166 PolarHBondContact O-N 3.49Å; Y1162-R1166 VanDerWaalsContact O-N 3.09Å; R1166-N1168 PolarHBondContact O-N 2.72Å; R1166-K1169 PolarHBondContact O-N 2.85Å |
| 1167 | S | 41.9 | Very low | 48.5 | Very low | 54 Ų | 54 | 55.1 Ų | 55.1 | 38% | 0.378 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65 | -27.8 | 175.1 | 47.3 | 0 | 0 | 0 | 0 | 113 | K1163 F1164 L1165 R1701 | K1163-S1167 PolarHBondContact O-N 2.76Å; K1163-S1167 PolarHBondContact O-OG 2.6Å; K1163-S1167 VanDerWaalsContact O-OG 3.06Å; F1164-S1167 WeakPolarHBondContact CA-OG 3.26Å; F1164-S1167 PolarHBondContact O-N 3.13Å; F1164-S1167 PolarHBondContact O-OG 2.74Å; L1165-S1167 VanDerWaalsContact C-N 3.32Å; L1165-S1167 PolarHBondContact O-N 3.41Å; S1167-R1701 PolarHBondContact O-NH1 2.81Å; S1167-R1701 VanDerWaalsContact O-NH1 3.07Å |
| 1168 | N | 38 | Very low | 48.9 | Very low | 45 Ų | 45 | 52.8 Ų | 52.8 | 24% | 0.241 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 12.2 | 171.3 | -62.2 | -68.7 | 0 | 0 | 0 | 113.1 | F1164 L1165 R1166 L1170 F1821 | F1164-N1168 WeakPolarHBondContact CD2-ND2 3.19Å; F1164-N1168 WeakPolarHBondContact CE2-ND2 2.96Å; F1164-N1168 WeakPolarHBondContact CZ-ND2 3.22Å; F1164-N1168 PolarHBondContact O-N 2.93Å; F1164-N1168 PolarHBondContact O-ND2 2.76Å; L1165-N1168 CarbonylContact O-C 3.29Å; L1165-N1168 VanDerWaalsContact O-C 3.23Å; L1165-N1168 WeakPolarHBondContact O-CA 3.46Å; L1165-N1168 PolarHBondContact O-N 3.41Å; R1166-N1168 PolarHBondContact O-N 2.72Å; N1168-L1170 VanDerWaalsContact C-N 3.29Å; N1168-L1170 HydrophobicContact CB-CD1 3.57Å; N1168-L1170 HydrophobicContact CB-CG 4.16Å; N1168-L1170 WeakPolarHBondContact O-CG 3.24Å; N1168-L1170 PolarHBondContact O-N 2.92Å; N1168-F1821 WeakPolarHBondContact O-CE2 3.41Å; N1168-F1821 WeakPolarHBondContact O-CZ 3.45Å |
| 1169 | K | 39.7 | Very low | 49.1 | Very low | 83 Ų | 83 | 54.5 Ų | 54.5 | 36% | 0.361 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 33.8 | -173.9 | -73.3 | -175.1 | 171.7 | -175.4 | 0 | 115.6 | L1165 R1166 F1821 I1879 | L1165-K1169 PolarHBondContact O-N 3.26Å; R1166-K1169 PolarHBondContact O-N 2.85Å; K1169-F1821 HydrophobicContact CB-CD1 4.37Å; K1169-F1821 HydrophobicContact CB-CE1 3.73Å; K1169-F1821 HydrophobicContact CB-CE2 4.11Å; K1169-F1821 HydrophobicContact CB-CZ 3.61Å; K1169-F1821 HydrophobicContact CD-CE1 4.07Å; K1169-I1879 HydrophobicContact CD-CD1 4.3Å |
| 1170 | L | 39.6 | Very low | 49.5 | Very low | 13 Ų | 13 | 46.8 Ų | 46.8 | 7% | 0.068 | 21% | 0.214 | C | C | . | . | trans | -105.6 | 155.4 | -179.5 | -62.1 | 160.1 | 0 | 0 | 0 | 111.3 | L1165 N1168 N1176 L1817 N1820 F1821 | L1165-L1170 CarbonylContact C-O 3.16Å; L1165-L1170 HydrophobicContact CB-CB 4.12Å; L1165-L1170 WeakPolarHBondContact CB-O 3.33Å; L1165-L1170 HydrophobicContact CD2-CB 3.81Å; L1165-L1170 PolarHBondContact O-N 2.98Å; N1168-L1170 VanDerWaalsContact C-N 3.29Å; N1168-L1170 HydrophobicContact CB-CD1 3.57Å; N1168-L1170 HydrophobicContact CB-CG 4.16Å; N1168-L1170 WeakPolarHBondContact O-CG 3.24Å; N1168-L1170 PolarHBondContact O-N 2.92Å; L1170-N1176 HydrophobicContact CD1-CB 4.03Å; L1170-N1176 WeakPolarHBondContact CD1-ND2 3.2Å; L1170-N1176 VanDerWaalsContact CD1-OD1 3.25Å; L1170-N1176 WeakPolarHBondContact CD1-OD1 3.29Å; L1170-L1817 HydrophobicContact CD2-CB 4.25Å; L1170-L1817 WeakPolarHBondContact CD2-O 3.42Å; L1170-N1820 HydrophobicContact CB-CB 4.31Å; L1170-N1820 HydrophobicContact CD2-CB 3.85Å; L1170-N1820 WeakPolarHBondContact CD2-ND2 3.46Å; L1170-F1821 HydrophobicContact CD1-CE2 4.49Å; L1170-F1821 HydrophobicContact CD2-CD2 3.46Å; L1170-F1821 VanDerWaalsContact CD2-CD2 3.46Å; L1170-F1821 HydrophobicContact CD2-CE2 3.52Å; L1170-F1821 HydrophobicContact CG-CD2 4.26Å; L1170-F1821 HydrophobicContact CG-CE2 3.86Å | ||
| 1171 | Q | 49.3 | Very low | 49.7 | Very low | 120 Ų | 120 | 44.5 Ų | 44.5 | 56% | 0.561 | 20% | 0.203 | S | C | * | . | trans | -96.8 | 168.4 | 167.3 | -50 | -169 | 12.5 | 0 | 0 | 109.6 | N1173 N1820 | Q1171-N1173 PolarHBondContact O-N 3.23Å; Q1171-N1820 HydrophobicContact CB-CB 4.19Å; Q1171-N1820 VanDerWaalsContact CB-OD1 3.29Å; Q1171-N1820 WeakPolarHBondContact CB-OD1 3.25Å; Q1171-N1820 HydrophobicContact CG-CB 3.9Å; Q1171-N1820 VanDerWaalsContact N-CB 3.28Å; Q1171-N1820 PolarHBondContact N-ND2 2.88Å; Q1171-N1820 VanDerWaalsContact N-ND2 3.14Å; Q1171-N1820 PolarHBondContact O-ND2 2.21Å | ||
| 1172 | P | 44.9 | Very low | 50.5 | Low | 30 Ų | 30 | 46.6 Ų | 46.6 | 20% | 0.195 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -70.6 | 98.5 | 177.7 | -11.6 | 27.3 | 0 | 0 | 0 | 112.3 | F1157 Y1162 L1165 | F1157-P1172 HydrophobicContact CB-CB 4.14Å; F1157-P1172 HydrophobicContact CD1-CB 3.73Å; F1157-P1172 HydrophobicContact CD2-CB 3.57Å; F1157-P1172 HydrophobicContact CD2-CG 4.49Å; F1157-P1172 HydrophobicContact CE1-CB 3.95Å; F1157-P1172 HydrophobicContact CE2-CB 3.8Å; F1157-P1172 HydrophobicContact CG-CB 3.53Å; F1157-P1172 HydrophobicContact CZ-CB 3.98Å; F1157-P1172 WeakPolarHBondContact CZ-O 3.3Å; Y1162-P1172 HydrophobicContact CD1-CG 3.67Å; Y1162-P1172 HydrophobicContact CE1-CB 4.45Å; Y1162-P1172 HydrophobicContact CE1-CG 3.21Å; Y1162-P1172 HydrophobicContact CE2-CG 4.24Å; Y1162-P1172 HydrophobicContact CG-CG 4.36Å; L1165-P1172 VanDerWaalsContact CD1-CA 3.45Å; L1165-P1172 HydrophobicContact CD1-CB 3.92Å; L1165-P1172 HydrophobicContact CD1-CG 4.06Å |
| 1173 | N | 50.6 | Low | 51.3 | Low | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | trans | -136.1 | 154.4 | 159.3 | 45.1 | 33.3 | 0 | 0 | 0 | 109.9 | Q1171 S1175 N1176 N1820 | Q1171-N1173 PolarHBondContact O-N 3.23Å; N1173-S1175 PolarHBondContact O-N 2.7Å; N1173-S1175 VanDerWaalsContact O-N 3.09Å; N1173-N1176 PolarHBondContact O-N 2.8Å; N1173-N1820 PolarHBondContact ND2-ND2 2.23Å; N1173-N1820 PolarHBondContact ND2-OD1 3.12Å; N1173-N1820 PolarHBondContact OD1-ND2 3.38Å; N1173-N1820 VanDerWaalsContact OD1-ND2 3.13Å | ||
| 1174 | V | 55.3 | Low | 52.5 | Low | 10 Ų | 10 | 39 Ų | 39 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.9 | -25 | -175.1 | -179.3 | 0 | 0 | 0 | 0 | 112 | I1152 N1176 L1177 L1178 G1905 S1906 | I1152-V1174 HydrophobicContact CB-CG1 4.2Å; I1152-V1174 HydrophobicContact CG1-CG1 4.05Å; I1152-V1174 HydrophobicContact CG2-CG1 3.7Å; V1174-N1176 PolarHBondContact O-N 2.83Å; V1174-L1177 PolarHBondContact O-N 2.97Å; V1174-L1177 VanDerWaalsContact O-N 3.15Å; V1174-L1178 PolarHBondContact O-N 3.45Å; V1174-G1905 WeakPolarHBondContact CB-O 3.16Å; V1174-G1905 WeakPolarHBondContact CG1-O 3.41Å; V1174-S1906 WeakPolarHBondContact O-CB 3.18Å |
| 1175 | S | 58.6 | Low | 53.7 | Low | 9 Ų | 9 | 38.3 Ų | 38.3 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -42 | -40.6 | 173.8 | -45.6 | 0 | 0 | 0 | 0 | 114.6 | N1173 S1906 G1907 | N1173-S1175 PolarHBondContact O-N 2.7Å; N1173-S1175 VanDerWaalsContact O-N 3.09Å; S1175-S1906 VanDerWaalsContact CA-CA 3.45Å; S1175-G1907 PolarHBondContact OG-O 2.9Å; S1175-G1907 VanDerWaalsContact OG-O 3.12Å |
| 1176 | N | 53.6 | Low | 54.8 | Low | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.027 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -105.6 | -12.7 | -175 | -74.5 | -74.2 | 0 | 0 | 0 | 115 | L1165 L1170 N1173 V1174 L1817 | L1165-N1176 HydrophobicContact CD2-CB 3.56Å; L1170-N1176 HydrophobicContact CD1-CB 4.03Å; L1170-N1176 WeakPolarHBondContact CD1-ND2 3.2Å; L1170-N1176 VanDerWaalsContact CD1-OD1 3.25Å; L1170-N1176 WeakPolarHBondContact CD1-OD1 3.29Å; N1173-N1176 PolarHBondContact O-N 2.8Å; V1174-N1176 PolarHBondContact O-N 2.83Å; N1176-L1817 PolarHBondContact ND2-O 3.32Å |
| 1177 | L | 55.1 | Low | 55.8 | Low | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.4 | -45 | 165.4 | -94.3 | 156.3 | 0 | 0 | 0 | 111.2 | Y1148 C1151 I1152 F1157 L1161 V1174 L1180 A1181 | Y1148-L1177 HydrophobicContact CD1-CD2 4.1Å; C1151-L1177 HydrophobicContact CB-CD1 4.38Å; C1151-L1177 HydrophobicContact CB-CD2 3.97Å; C1151-L1177 WeakPolarHBondContact O-CD1 3.45Å; I1152-L1177 HydrophobicContact CD1-CB 4.07Å; I1152-L1177 HydrophobicContact CG1-CB 3.52Å; I1152-L1177 HydrophobicContact CG1-CD1 4.14Å; I1152-L1177 HydrophobicContact CG1-CD2 4.4Å; I1152-L1177 HydrophobicContact CG1-CG 4.24Å; F1157-L1177 HydrophobicContact CD1-CD1 4.31Å; F1157-L1177 HydrophobicContact CE1-CD1 4.32Å; L1161-L1177 HydrophobicContact CD1-CD2 3.71Å; L1161-L1177 HydrophobicContact CD1-CG 3.68Å; L1161-L1177 HydrophobicContact CD2-CD1 3.57Å; L1161-L1177 HydrophobicContact CD2-CD2 3.89Å; L1161-L1177 HydrophobicContact CD2-CG 3.55Å; L1161-L1177 HydrophobicContact CG-CD2 4.35Å; L1161-L1177 HydrophobicContact CG-CG 4.24Å; V1174-L1177 PolarHBondContact O-N 2.97Å; V1174-L1177 VanDerWaalsContact O-N 3.15Å; L1177-L1180 VanDerWaalsContact O-CB 3.28Å; L1177-L1180 WeakPolarHBondContact O-CB 3.34Å; L1177-L1180 PolarHBondContact O-N 3.49Å; L1177-A1181 PolarHBondContact O-N 2.86Å; L1177-A1181 VanDerWaalsContact O-N 3.08Å |
| 1178 | L | 61.5 | Low | 56.8 | Low | 9 Ų | 9 | 35.8 Ų | 35.8 | 5% | 0.047 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -80.1 | -22.3 | -171.7 | -137.2 | 148.1 | 0 | 0 | 0 | 113.1 | I1152 V1174 L1180 A1181 K1182 S1906 N2208 | I1152-L1178 HydrophobicContact CD1-CB 3.9Å; I1152-L1178 HydrophobicContact CD1-CD1 3.87Å; I1152-L1178 HydrophobicContact CD1-CG 3.65Å; I1152-L1178 HydrophobicContact CG1-CD1 4.45Å; I1152-L1178 HydrophobicContact CG2-CD1 4.1Å; V1174-L1178 PolarHBondContact O-N 3.45Å; L1178-L1180 VanDerWaalsContact C-N 3.28Å; L1178-L1180 PolarHBondContact O-N 2.86Å; L1178-A1181 HydrophobicContact CG-CB 4.44Å; L1178-A1181 PolarHBondContact O-N 2.63Å; L1178-K1182 PolarHBondContact O-N 3.11Å; L1178-S1906 WeakPolarHBondContact CB-OG 3.23Å; L1178-N2208 HydrophobicContact CD2-CB 4.45Å; L1178-N2208 VanDerWaalsContact CD2-ND2 3.32Å; L1178-N2208 WeakPolarHBondContact CD2-ND2 3.29Å |
| 1179 | R | 58.4 | Low | 58.1 | Low | 35 Ų | 35 | 36.9 Ų | 36.9 | 13% | 0.132 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -51.3 | -50.9 | 161.7 | -94.4 | -170.4 | -176.2 | -134.3 | 8 | 110.4 | A1181 K1182 Y1798 S1816 | R1179-A1181 VanDerWaalsContact C-N 3.34Å; R1179-K1182 PolarHBondContact O-N 2.69Å; R1179-Y1798 HydrophobicContact CB-CE1 4.35Å; R1179-Y1798 HydrophobicContact CG-CD1 3.75Å; R1179-Y1798 HydrophobicContact CG-CE1 3.17Å; R1179-Y1798 HydrophobicContact CG-CE2 4.41Å; R1179-S1816 VanDerWaalsContact NH2-C 3.28Å; R1179-S1816 PolarHBondContact NH2-O 2.92Å; R1179-S1816 PolarHBondContact NH2-OG 3.04Å; R1179-S1816 VanDerWaalsContact NH2-OG 3.1Å |
| 1180 | L | 61.3 | Low | 59 | Low | 23 Ų | 23 | 38.3 Ų | 38.3 | 12% | 0.12 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.2 | -37.9 | 179.8 | -158.6 | 68.2 | 0 | 0 | 0 | 111.3 | Y1148 F1164 L1177 L1178 K1182 H1184 | Y1148-L1180 HydrophobicContact CD1-CD2 4.19Å; Y1148-L1180 HydrophobicContact CD2-CD2 3.84Å; Y1148-L1180 HydrophobicContact CD2-CG 4.35Å; Y1148-L1180 HydrophobicContact CE1-CD2 3.98Å; Y1148-L1180 HydrophobicContact CE2-CD2 3.58Å; Y1148-L1180 HydrophobicContact CE2-CG 4.32Å; Y1148-L1180 HydrophobicContact CG-CD2 4.16Å; F1164-L1180 HydrophobicContact CE1-CD1 4.43Å; F1164-L1180 HydrophobicContact CE2-CD1 4.15Å; F1164-L1180 HydrophobicContact CZ-CD1 4.05Å; L1177-L1180 VanDerWaalsContact O-CB 3.28Å; L1177-L1180 WeakPolarHBondContact O-CB 3.34Å; L1177-L1180 PolarHBondContact O-N 3.49Å; L1178-L1180 VanDerWaalsContact C-N 3.28Å; L1178-L1180 PolarHBondContact O-N 2.86Å; L1180-K1182 VanDerWaalsContact C-N 3.29Å; L1180-K1182 PolarHBondContact O-N 2.74Å; L1180-H1184 PolarHBondContact O-CD2 3.29Å |
| 1181 | A | 60.1 | Low | 60.3 | Low | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.5 | -14.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1145 K1149 I1152 L1177 L1178 R1179 M2212 | L1145-A1181 HydrophobicContact CD1-CB 3.53Å; L1145-A1181 WeakPolarHBondContact CD1-O 3.44Å; K1149-A1181 HydrophobicContact CG-CB 4.36Å; I1152-A1181 HydrophobicContact CD1-CB 4.04Å; L1177-A1181 PolarHBondContact O-N 2.86Å; L1177-A1181 VanDerWaalsContact O-N 3.08Å; L1178-A1181 HydrophobicContact CG-CB 4.44Å; L1178-A1181 PolarHBondContact O-N 2.63Å; R1179-A1181 VanDerWaalsContact C-N 3.34Å; A1181-M2212 WeakPolarHBondContact O-CE 3.42Å |
| 1182 | K | 68.2 | Low | 60.9 | Low | 45 Ų | 45 | 37 Ų | 37 | 20% | 0.196 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -85.4 | -45.2 | 176.1 | -159.3 | 178 | -167 | 170.4 | 0 | 112.4 | L1178 R1179 L1180 H1184 K1185 K1797 N2208 L2210 | L1178-K1182 PolarHBondContact O-N 3.11Å; R1179-K1182 PolarHBondContact O-N 2.69Å; L1180-K1182 VanDerWaalsContact C-N 3.29Å; L1180-K1182 PolarHBondContact O-N 2.74Å; K1182-H1184 VanDerWaalsContact C-N 3.26Å; K1182-H1184 PolarHBondContact O-N 3.27Å; K1182-H1184 VanDerWaalsContact O-N 3.15Å; K1182-K1185 PolarHBondContact O-N 3.08Å; K1182-K1185 VanDerWaalsContact O-N 3.14Å; K1182-K1797 VanDerWaalsContact CD-CE 3.45Å; K1182-N2208 HydrophobicContact CD-CB 3.84Å; K1182-N2208 WeakPolarHBondContact CD-OD1 3.44Å; K1182-N2208 VanDerWaalsContact CE-OD1 3.25Å; K1182-N2208 WeakPolarHBondContact CE-OD1 3.44Å; K1182-N2208 HydrophobicContact CG-CB 4.14Å; K1182-N2208 PolarHBondContact NZ-OD1 3.47Å; K1182-L2210 HydrophobicContact CD-CD1 4.21Å; K1182-L2210 HydrophobicContact CG-CD1 3.73Å |
| 1183 | S | 65.6 | Low | 61.5 | Low | 72 Ų | 72 | 41.1 Ų | 41.1 | 50% | 0.503 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.8 | -17 | -170.4 | 176.8 | 0 | 0 | 0 | 0 | 115.7 | K1185 | S1183-K1185 VanDerWaalsContact C-N 3.31Å |
| 1184 | H | 70.1 | Confident | 61.8 | Low | 23 Ų | 23 | 47.5 Ų | 47.5 | 11% | 0.106 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -77.5 | -12 | 175.9 | -73.7 | -76.8 | 0 | 0 | 0 | 112.7 | E1141 L1180 K1182 C1188 M2212 | E1141-H1184 IonicContact OE2-CE1 3.56Å; E1141-H1184 PolarHBondContact OE2-CE1 3.25Å; E1141-H1184 IonicContact OE2-CG 3.21Å; E1141-H1184 IonicContact OE2-ND1 2.63Å; E1141-H1184 PolarHBondContact OE2-ND1 3.47Å; L1180-H1184 PolarHBondContact O-CD2 3.29Å; K1182-H1184 VanDerWaalsContact C-N 3.26Å; K1182-H1184 PolarHBondContact O-N 3.27Å; K1182-H1184 VanDerWaalsContact O-N 3.15Å; H1184-C1188 PolarHBondContact O-N 3.29Å; H1184-C1188 PolarHBondContact O-SG 2.7Å; H1184-M2212 VanDerWaalsContact C-CE 3.47Å; H1184-M2212 HydrophobicContact CB-CE 3.76Å; H1184-M2212 HydrophobicContact CB-SD 3.62Å |
| 1185 | K | 70.2 | Confident | 62.2 | Low | 26 Ų | 26 | 47.8 Ų | 47.8 | 11% | 0.113 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -75.2 | -51.9 | -172.2 | -174.4 | 168.8 | -174.9 | -175.1 | 0 | 111.6 | K1182 S1183 K1187 C1188 N1189 L2210 S2211 M2212 | K1182-K1185 PolarHBondContact O-N 3.08Å; K1182-K1185 VanDerWaalsContact O-N 3.14Å; S1183-K1185 VanDerWaalsContact C-N 3.31Å; K1185-K1187 PolarHBondContact O-N 2.96Å; K1185-C1188 WeakPolarHBondContact O-CA 3.24Å; K1185-C1188 WeakPolarHBondContact O-CB 3.47Å; K1185-C1188 PolarHBondContact O-N 3.2Å; K1185-N1189 VanDerWaalsContact CE-OD1 3.29Å; K1185-N1189 WeakPolarHBondContact CE-OD1 3.27Å; K1185-N1189 PolarHBondContact O-N 3.26Å; K1185-L2210 HydrophobicContact CB-CB 3.97Å; K1185-L2210 HydrophobicContact CB-CD2 4.36Å; K1185-L2210 VanDerWaalsContact CD-C 3.47Å; K1185-L2210 HydrophobicContact CD-CB 3.53Å; K1185-L2210 HydrophobicContact CD-CD2 3.75Å; K1185-L2210 HydrophobicContact CD-CG 4.22Å; K1185-L2210 HydrophobicContact CG-CB 4.23Å; K1185-L2210 HydrophobicContact CG-CD2 4.23Å; K1185-S2211 WeakPolarHBondContact CE-O 3.33Å; K1185-S2211 VanDerWaalsContact NZ-C 3.35Å; K1185-S2211 PolarHBondContact NZ-O 3.46Å; K1185-S2211 PolarHBondContact NZ-OG 3.33Å; K1185-M2212 WeakPolarHBondContact CA-SD 3.43Å; K1185-M2212 HydrophobicContact CB-CB 3.86Å; K1185-M2212 HydrophobicContact CB-CE 3.66Å; K1185-M2212 HydrophobicContact CB-CG 3.77Å; K1185-M2212 HydrophobicContact CB-SD 4Å; K1185-M2212 HydrophobicContact CD-CB 4Å; K1185-M2212 HydrophobicContact CD-CG 4.49Å; K1185-M2212 HydrophobicContact CG-CB 3.91Å; K1185-M2212 HydrophobicContact CG-CG 3.88Å; K1185-M2212 PolarHBondContact N-SD 2.97Å |
| 1186 | E | 65.7 | Low | 62 | Low | 88 Ų | 88 | 52.5 Ų | 52.5 | 41% | 0.411 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -53.7 | -45 | -172.5 | -64.1 | 99.9 | 171.6 | 0 | 0 | 109.4 | C1188 N1189 D1190 L2210 | E1186-C1188 VanDerWaalsContact C-N 3.31Å; E1186-C1188 PolarHBondContact O-N 3.06Å; E1186-N1189 WeakPolarHBondContact O-CB 3.3Å; E1186-N1189 PolarHBondContact O-N 3.05Å; E1186-D1190 PolarHBondContact O-N 3.05Å; E1186-L2210 WeakPolarHBondContact OE1-CD1 3.4Å |
| 1187 | K | 63.1 | Low | 62 | Low | 110 Ų | 110 | 57.9 Ų | 57.9 | 48% | 0.478 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.3 | -30 | 174.4 | -57.5 | -166.1 | 175.1 | -166.7 | 0 | 115.7 | K1185 M1191 | K1185-K1187 PolarHBondContact O-N 2.96Å; K1187-M1191 HydrophobicContact CB-CE 4.4Å; K1187-M1191 WeakPolarHBondContact O-CG 3.47Å |
| 1188 | C | 63.2 | Low | 62 | Low | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -78.3 | -26.3 | 176.6 | -66.6 | 0 | 0 | 0 | 0 | 112.9 | E1141 K1142 H1184 K1185 E1186 | E1141-C1188 VanDerWaalsContact CB-SG 3.56Å; K1142-C1188 HydrophobicContact CG-CB 4.3Å; K1142-C1188 VanDerWaalsContact CG-SG 3.55Å; H1184-C1188 PolarHBondContact O-N 3.29Å; H1184-C1188 PolarHBondContact O-SG 2.7Å; K1185-C1188 WeakPolarHBondContact O-CA 3.24Å; K1185-C1188 WeakPolarHBondContact O-CB 3.47Å; K1185-C1188 PolarHBondContact O-N 3.2Å; E1186-C1188 VanDerWaalsContact C-N 3.31Å; E1186-C1188 PolarHBondContact O-N 3.06Å |
| 1189 | N | 64.9 | Low | 61.7 | Low | 67 Ų | 67 | 62 Ų | 62 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -75.3 | -51.2 | -179.6 | -71.8 | -4.9 | 0 | 0 | 0 | 110.9 | K1185 E1186 M1191 L1192 | K1185-N1189 VanDerWaalsContact CE-OD1 3.29Å; K1185-N1189 WeakPolarHBondContact CE-OD1 3.27Å; K1185-N1189 PolarHBondContact O-N 3.26Å; E1186-N1189 WeakPolarHBondContact O-CB 3.3Å; E1186-N1189 PolarHBondContact O-N 3.05Å; N1189-M1191 VanDerWaalsContact C-N 3.33Å; N1189-M1191 PolarHBondContact O-N 2.89Å; N1189-L1192 VanDerWaalsContact O-CB 3.28Å; N1189-L1192 WeakPolarHBondContact O-CB 3.4Å; N1189-L1192 PolarHBondContact O-N 3.09Å |
| 1190 | D | 59.7 | Low | 61.4 | Low | 114 Ų | 114 | 65.4 Ų | 65.4 | 61% | 0.61 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.1 | -42.1 | -173.6 | -54.4 | -27 | 0 | 0 | 0 | 111.8 | E1186 L1192 N1193 | E1186-D1190 PolarHBondContact O-N 3.05Å; D1190-L1192 PolarHBondContact O-N 3.16Å; D1190-N1193 PolarHBondContact O-N 3.1Å |
| 1191 | M | 66 | Low | 60.8 | Low | 59 Ų | 59 | 68.4 Ų | 68.4 | 29% | 0.291 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.8 | -21.5 | 176.6 | -61.9 | -177.4 | -160.1 | 0 | 0 | 113.1 | L1134 K1137 I1138 K1187 N1189 | L1134-M1191 HydrophobicContact CD1-CB 4.39Å; K1137-M1191 HydrophobicContact CB-SD 4.07Å; I1138-M1191 HydrophobicContact CD1-CB 4.38Å; I1138-M1191 WeakPolarHBondContact CD1-O 3.16Å; I1138-M1191 HydrophobicContact CG1-CB 3.61Å; K1187-M1191 HydrophobicContact CB-CE 4.4Å; K1187-M1191 WeakPolarHBondContact O-CG 3.47Å; N1189-M1191 VanDerWaalsContact C-N 3.33Å; N1189-M1191 PolarHBondContact O-N 2.89Å |
| 1192 | L | 62.9 | Low | 60.5 | Low | 47 Ų | 47 | 68.5 Ų | 68.5 | 25% | 0.246 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -75.8 | -39.2 | -179.5 | -171 | 66.7 | 0 | 0 | 0 | 111.9 | N1189 D1190 L1195 K2215 | N1189-L1192 VanDerWaalsContact O-CB 3.28Å; N1189-L1192 WeakPolarHBondContact O-CB 3.4Å; N1189-L1192 PolarHBondContact O-N 3.09Å; D1190-L1192 PolarHBondContact O-N 3.16Å; L1192-L1195 WeakPolarHBondContact O-CB 3.44Å; L1192-L1195 PolarHBondContact O-N 2.92Å; L1192-K2215 VanDerWaalsContact CD1-NZ 3.28Å |
| 1193 | N | 58.3 | Low | 59.5 | Low | 115 Ų | 115 | 70 Ų | 70 | 62% | 0.615 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61.6 | -48.9 | 178.7 | -67.4 | -14.9 | 0 | 0 | 0 | 110.6 | D1190 L1195 I1196 | D1190-N1193 PolarHBondContact O-N 3.1Å; N1193-L1195 PolarHBondContact O-N 2.8Å; N1193-L1195 VanDerWaalsContact O-N 3.14Å; N1193-I1196 PolarHBondContact O-N 3.33Å; N1193-I1196 VanDerWaalsContact O-N 3.12Å |
| 1194 | K | 56.6 | Low | 58.4 | Low | 137 Ų | 137 | 71 Ų | 71 | 60% | 0.596 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.3 | -14.3 | -179 | -157.4 | 155.9 | -169.6 | 161.7 | 0 | 114.2 | L1134 | L1134-K1194 HydrophobicContact CD2-CB 4.26Å; L1134-K1194 HydrophobicContact CD2-CG 4.43Å; L1134-K1194 WeakPolarHBondContact CD2-O 3.42Å |
| 1195 | L | 62.1 | Low | 57.3 | Low | 17 Ų | 17 | 71.3 Ų | 71.3 | 9% | 0.089 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -78 | -34.9 | 173.9 | 179.4 | 68 | 0 | 0 | 0 | 112.5 | L1131 L1134 K1135 I1138 L1192 N1193 H1199 | L1131-L1195 HydrophobicContact CD1-CD1 4.14Å; L1134-L1195 HydrophobicContact CB-CD1 4.29Å; L1134-L1195 HydrophobicContact CD2-CB 4.09Å; L1134-L1195 HydrophobicContact CD2-CD1 4.33Å; L1134-L1195 HydrophobicContact CG-CB 4.3Å; L1134-L1195 HydrophobicContact CG-CD1 4.19Å; K1135-L1195 HydrophobicContact CG-CD1 3.66Å; K1135-L1195 HydrophobicContact CG-CD2 4.28Å; I1138-L1195 HydrophobicContact CD1-CB 3.98Å; I1138-L1195 HydrophobicContact CD1-CD2 3.71Å; I1138-L1195 HydrophobicContact CD1-CG 4.3Å; L1192-L1195 WeakPolarHBondContact O-CB 3.44Å; L1192-L1195 PolarHBondContact O-N 2.92Å; N1193-L1195 PolarHBondContact O-N 2.8Å; N1193-L1195 VanDerWaalsContact O-N 3.14Å; L1195-H1199 WeakPolarHBondContact O-CB 3.19Å; L1195-H1199 PolarHBondContact O-N 2.73Å; L1195-H1199 VanDerWaalsContact O-N 3.08Å |
| 1196 | I | 55.9 | Low | 56.2 | Low | 107 Ų | 107 | 70.7 Ų | 70.7 | 55% | 0.549 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.9 | -45 | -173.4 | -64 | 167.9 | 0 | 0 | 0 | 109.8 | N1193 H1199 T1200 | N1193-I1196 PolarHBondContact O-N 3.33Å; N1193-I1196 VanDerWaalsContact O-N 3.12Å; I1196-H1199 PolarHBondContact O-N 2.87Å; I1196-T1200 PolarHBondContact O-N 2.9Å; I1196-T1200 PolarHBondContact O-OG1 3.35Å |
| 1197 | E | 53.7 | Low | 55.3 | Low | 118 Ų | 118 | 68.7 Ų | 68.7 | 55% | 0.551 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -55.3 | -56.2 | 176.2 | -175.4 | 173.9 | -145.4 | 0 | 0 | 113 | H1199 T1200 | E1197-H1199 VanDerWaalsContact C-N 3.33Å; E1197-H1199 PolarHBondContact O-N 2.98Å; E1197-T1200 PolarHBondContact O-N 3.33Å |
| 1198 | L | 55.1 | Low | 54.2 | Low | 35 Ų | 35 | 69.3 Ų | 69.3 | 18% | 0.183 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.2 | -35.9 | 178.2 | -83.5 | 165.6 | 0 | 0 | 0 | 113.2 | E1130 L1131 L1134 T1200 Q1201 A1202 | E1130-L1198 HydrophobicContact CB-CD1 4.49Å; E1130-L1198 HydrophobicContact CB-CD2 4.49Å; L1131-L1198 HydrophobicContact CD1-CB 4.22Å; L1134-L1198 HydrophobicContact CD2-CD1 3.87Å; L1198-T1200 VanDerWaalsContact C-N 3.34Å; L1198-T1200 PolarHBondContact O-N 3.29Å; L1198-Q1201 PolarHBondContact O-N 3.06Å; L1198-A1202 PolarHBondContact O-N 2.96Å; L1198-A1202 VanDerWaalsContact O-N 3.14Å |
| 1199 | H | 55.4 | Low | 53.1 | Low | 61 Ų | 61 | 71.2 Ų | 71.2 | 28% | 0.282 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -70.2 | -30.9 | -176.9 | -155.3 | -42.6 | 0 | 0 | 0 | 112.8 | L1131 K1135 L1195 I1196 E1197 | L1131-H1199 HydrophobicContact CD1-CB 3.86Å; K1135-H1199 VanDerWaalsContact CE-CD2 3.43Å; K1135-H1199 WeakPolarHBondContact CE-CD2 3.38Å; K1135-H1199 WeakPolarHBondContact CE-NE2 3.49Å; K1135-H1199 PolarHBondContact NZ-NE2 3.16Å; L1195-H1199 WeakPolarHBondContact O-CB 3.19Å; L1195-H1199 PolarHBondContact O-N 2.73Å; L1195-H1199 VanDerWaalsContact O-N 3.08Å; I1196-H1199 PolarHBondContact O-N 2.87Å; E1197-H1199 VanDerWaalsContact C-N 3.33Å; E1197-H1199 PolarHBondContact O-N 2.98Å |
| 1200 | T | 52.3 | Low | 51.8 | Low | 107 Ų | 107 | 71.6 Ų | 71.6 | 66% | 0.656 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -66.7 | -42.3 | 174.5 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | I1196 E1197 L1198 | I1196-T1200 PolarHBondContact O-N 2.9Å; I1196-T1200 PolarHBondContact O-OG1 3.35Å; E1197-T1200 PolarHBondContact O-N 3.33Å; L1198-T1200 VanDerWaalsContact C-N 3.34Å; L1198-T1200 PolarHBondContact O-N 3.29Å |
| 1201 | Q | 48.1 | Very low | 50.9 | Low | 85 Ų | 85 | 71.8 Ų | 71.8 | 40% | 0.397 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.4 | -30.7 | -178.6 | -61.5 | -178.9 | 10.2 | 0 | 0 | 113.7 | L1198 S1203 | L1198-Q1201 PolarHBondContact O-N 3.06Å; Q1201-S1203 VanDerWaalsContact C-N 3.33Å; Q1201-S1203 PolarHBondContact O-N 2.8Å |
| 1202 | A | 54.5 | Low | 49.4 | Very low | 2 Ų | 2 | 73 Ų | 73 | 2% | 0.017 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -9.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1131 L1198 C1204 V1205 L1206 | L1131-A1202 HydrophobicContact CD2-CB 3.94Å; L1198-A1202 PolarHBondContact O-N 2.96Å; L1198-A1202 VanDerWaalsContact O-N 3.14Å; A1202-C1204 PolarHBondContact O-N 3.45Å; A1202-V1205 PolarHBondContact O-N 2.91Å; A1202-L1206 PolarHBondContact O-N 3.38Å |
| 1203 | S | 45.5 | Very low | 48.3 | Very low | 76 Ų | 76 | 72.9 Ų | 72.9 | 53% | 0.531 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.2 | -37.3 | -168.8 | -157.2 | 0 | 0 | 0 | 0 | 114 | Q1201 L1206 S1207 | Q1201-S1203 VanDerWaalsContact C-N 3.33Å; Q1201-S1203 PolarHBondContact O-N 2.8Å; S1203-L1206 WeakPolarHBondContact O-CB 3.47Å; S1203-L1206 PolarHBondContact O-N 3.4Å; S1203-S1207 PolarHBondContact O-N 3.13Å |
| 1204 | C | 43.5 | Very low | 47.4 | Very low | 93 Ų | 93 | 72.3 Ų | 72.3 | 63% | 0.628 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -76.7 | -29.2 | -178.1 | -175.3 | 0 | 0 | 0 | 0 | 113.4 | A1202 L1206 S1207 | A1202-C1204 PolarHBondContact O-N 3.45Å; C1204-L1206 PolarHBondContact O-N 3Å; C1204-S1207 PolarHBondContact O-N 2.85Å; C1204-S1207 PolarHBondContact O-OG 3.41Å |
| 1205 | V | 46.6 | Very low | 46.7 | Very low | 31 Ų | 31 | 69.3 Ų | 69.3 | 19% | 0.188 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68 | -32.4 | 170.7 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | C1124 L1128 A1202 | C1124-V1205 HydrophobicContact CB-CG1 3.69Å; L1128-V1205 HydrophobicContact CD1-CG1 3.91Å; L1128-V1205 HydrophobicContact CD2-CG1 4.34Å; L1128-V1205 HydrophobicContact CG-CG1 4.15Å; A1202-V1205 PolarHBondContact O-N 2.91Å |
| 1206 | L | 47.7 | Very low | 45.6 | Very low | 13 Ų | 13 | 74.4 Ų | 74.4 | 7% | 0.068 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -70.4 | -31.4 | 174.6 | -90.7 | 162.9 | 0 | 0 | 0 | 113.2 | L1128 A1202 S1203 C1204 N1208 L1209 R1214 F1217 M1218 | L1128-L1206 HydrophobicContact CD2-CG 4.28Å; A1202-L1206 PolarHBondContact O-N 3.38Å; S1203-L1206 WeakPolarHBondContact O-CB 3.47Å; S1203-L1206 PolarHBondContact O-N 3.4Å; C1204-L1206 PolarHBondContact O-N 3Å; L1206-N1208 VanDerWaalsContact C-N 3.27Å; L1206-N1208 PolarHBondContact O-N 2.9Å; L1206-L1209 HydrophobicContact CD2-CD1 4.19Å; L1206-L1209 PolarHBondContact O-N 3.26Å; L1206-R1214 WeakPolarHBondContact O-CD 3.37Å; L1206-R1214 WeakPolarHBondContact O-CG 3.42Å; L1206-R1214 PolarHBondContact O-NE 3.42Å; L1206-F1217 HydrophobicContact CD1-CD1 4.15Å; L1206-F1217 HydrophobicContact CD1-CE1 4.27Å; L1206-F1217 HydrophobicContact CD2-CB 4.12Å; L1206-F1217 HydrophobicContact CD2-CD1 3.55Å; L1206-F1217 HydrophobicContact CD2-CE1 4.4Å; L1206-F1217 HydrophobicContact CD2-CG 4.12Å; L1206-F1217 HydrophobicContact CG-CD1 4.22Å; L1206-M1218 HydrophobicContact CD1-CE 4.34Å; L1206-M1218 HydrophobicContact CD1-SD 4.43Å |
| 1207 | S | 45.9 | Very low | 45.2 | Very low | 45 Ų | 45 | 70.5 Ų | 70.5 | 32% | 0.315 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.4 | -32.2 | -179.8 | 51 | 0 | 0 | 0 | 0 | 113.4 | S1203 C1204 L1209 R1214 | S1203-S1207 PolarHBondContact O-N 3.13Å; C1204-S1207 PolarHBondContact O-N 2.85Å; C1204-S1207 PolarHBondContact O-OG 3.41Å; S1207-L1209 VanDerWaalsContact C-N 3.34Å; S1207-L1209 PolarHBondContact O-N 2.78Å; S1207-R1214 VanDerWaalsContact O-CZ 3.31Å; S1207-R1214 PolarHBondContact O-NE 3.34Å; S1207-R1214 PolarHBondContact O-NH2 3.43Å |
| 1208 | N | 40.8 | Very low | 45 | Very low | 124 Ų | 124 | 68.2 Ų | 68.2 | 66% | 0.663 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 1.9 | -172 | -60.8 | 23.5 | 0 | 0 | 0 | 113.2 | L1206 | L1206-N1208 VanDerWaalsContact C-N 3.27Å; L1206-N1208 PolarHBondContact O-N 2.9Å |
| 1209 | L | 39.3 | Very low | 44.5 | Very low | 42 Ų | 42 | 70.2 Ų | 70.2 | 22% | 0.22 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -79.8 | 140.1 | 160.2 | -66.7 | 176 | 0 | 0 | 0 | 109 | L1206 S1207 C1213 R1214 F1217 | L1206-L1209 HydrophobicContact CD2-CD1 4.19Å; L1206-L1209 PolarHBondContact O-N 3.26Å; S1207-L1209 VanDerWaalsContact C-N 3.34Å; S1207-L1209 PolarHBondContact O-N 2.78Å; L1209-C1213 HydrophobicContact CB-CB 3.79Å; L1209-C1213 HydrophobicContact CD2-CB 4.18Å; L1209-C1213 HydrophobicContact CG-CB 4.41Å; L1209-R1214 HydrophobicContact CB-CG 4.06Å; L1209-R1214 VanDerWaalsContact O-CG 3.3Å; L1209-R1214 WeakPolarHBondContact O-CG 3.41Å; L1209-R1214 PolarHBondContact O-NE 3.11Å; L1209-F1217 HydrophobicContact CD1-CB 4.21Å |
| 1210 | S | 38.7 | Very low | 44.1 | Very low | 75 Ų | 75 | 72 Ų | 72 | 52% | 0.524 | 39% | 0.39 | S | S | . | . | trans | -53.6 | 157.2 | 171.5 | 68.8 | 0 | 0 | 0 | 0 | 111 | L1212 C1213 R1214 | S1210-L1212 PolarHBondContact O-N 2.97Å; S1210-L1212 VanDerWaalsContact O-N 3.15Å; S1210-C1213 CarbonylContact O-C 3.53Å; S1210-C1213 VanDerWaalsContact O-CA 3.32Å; S1210-C1213 WeakPolarHBondContact O-CA 3.44Å; S1210-C1213 PolarHBondContact O-N 3.32Å; S1210-C1213 WeakPolarHBondContact OG-CB 3.49Å; S1210-C1213 PolarHBondContact OG-N 2.89Å; S1210-R1214 PolarHBondContact O-N 2.89Å | ||
| 1211 | L | 39.4 | Very low | 43.7 | Very low | 118 Ų | 118 | 67.2 Ų | 67.2 | 62% | 0.618 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -56.9 | -38.8 | -175.6 | -171 | 66.6 | 0 | 0 | 0 | 111.7 | C1213 R1214 I1215 | L1211-C1213 VanDerWaalsContact C-N 3.31Å; L1211-C1213 PolarHBondContact O-N 3.46Å; L1211-R1214 PolarHBondContact O-N 2.86Å; L1211-I1215 HydrophobicContact CD1-CD1 4.36Å; L1211-I1215 HydrophobicContact CD2-CD1 4.41Å; L1211-I1215 HydrophobicContact CG-CD1 3.89Å; L1211-I1215 HydrophobicContact CG-CG1 4.47Å; L1211-I1215 WeakPolarHBondContact O-CB 3.18Å; L1211-I1215 WeakPolarHBondContact O-CG1 3.44Å; L1211-I1215 PolarHBondContact O-N 2.93Å |
| 1212 | L | 35.7 | Very low | 43.5 | Very low | 85 Ų | 85 | 66 Ų | 66 | 45% | 0.445 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.2 | -26 | 172.8 | -175.5 | 59.7 | 0 | 0 | 0 | 113.2 | S1210 I1215 K1216 | S1210-L1212 PolarHBondContact O-N 2.97Å; S1210-L1212 VanDerWaalsContact O-N 3.15Å; L1212-I1215 CarbonylContact O-C 3.54Å; L1212-K1216 HydrophobicContact CD1-CG 4.47Å; L1212-K1216 HydrophobicContact CG-CD 4.1Å; L1212-K1216 VanDerWaalsContact O-CB 3.22Å; L1212-K1216 WeakPolarHBondContact O-CB 3.5Å; L1212-K1216 WeakPolarHBondContact O-CD 3.34Å; L1212-K1216 WeakPolarHBondContact O-CG 3.44Å; L1212-K1216 PolarHBondContact O-N 2.93Å |
| 1213 | C | 38.6 | Very low | 43 | Very low | 45 Ų | 45 | 69 Ų | 69 | 30% | 0.304 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -85.2 | -31.9 | 173.1 | -73.9 | 0 | 0 | 0 | 0 | 113.6 | L1209 S1210 L1211 I1215 K1216 F1217 | L1209-C1213 HydrophobicContact CB-CB 3.79Å; L1209-C1213 HydrophobicContact CD2-CB 4.18Å; L1209-C1213 HydrophobicContact CG-CB 4.41Å; S1210-C1213 CarbonylContact O-C 3.53Å; S1210-C1213 VanDerWaalsContact O-CA 3.32Å; S1210-C1213 WeakPolarHBondContact O-CA 3.44Å; S1210-C1213 PolarHBondContact O-N 3.32Å; S1210-C1213 WeakPolarHBondContact OG-CB 3.49Å; S1210-C1213 PolarHBondContact OG-N 2.89Å; L1211-C1213 VanDerWaalsContact C-N 3.31Å; L1211-C1213 PolarHBondContact O-N 3.46Å; C1213-I1215 VanDerWaalsContact C-N 3.32Å; C1213-K1216 CarbonylContact O-C 3.58Å; C1213-K1216 PolarHBondContact O-N 3.02Å; C1213-F1217 WeakPolarHBondContact O-CB 3.27Å; C1213-F1217 PolarHBondContact O-N 2.84Å |
| 1214 | R | 40 | Very low | 43 | Very low | 103 Ų | 103 | 66.9 Ų | 66.9 | 39% | 0.389 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 162.2 | -62.5 | -168.6 | -159.8 | 167.7 | 4.1 | 110.3 | L1206 S1207 L1209 S1210 L1211 F1217 M1218 | L1206-R1214 WeakPolarHBondContact O-CD 3.37Å; L1206-R1214 WeakPolarHBondContact O-CG 3.42Å; L1206-R1214 PolarHBondContact O-NE 3.42Å; S1207-R1214 VanDerWaalsContact O-CZ 3.31Å; S1207-R1214 PolarHBondContact O-NE 3.34Å; S1207-R1214 PolarHBondContact O-NH2 3.43Å; L1209-R1214 HydrophobicContact CB-CG 4.06Å; L1209-R1214 VanDerWaalsContact O-CG 3.3Å; L1209-R1214 WeakPolarHBondContact O-CG 3.41Å; L1209-R1214 PolarHBondContact O-NE 3.11Å; S1210-R1214 PolarHBondContact O-N 2.89Å; L1211-R1214 PolarHBondContact O-N 2.86Å; R1214-F1217 PolarHBondContact O-N 3.45Å; R1214-M1218 WeakPolarHBondContact O-CA 3.2Å; R1214-M1218 VanDerWaalsContact O-CB 3.23Å; R1214-M1218 WeakPolarHBondContact O-CB 3.33Å; R1214-M1218 PolarHBondContact O-N 3.31Å |
| 1215 | I | 42.8 | Very low | 43.3 | Very low | 73 Ų | 73 | 63.4 Ų | 63.4 | 37% | 0.374 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.1 | -34.9 | 176.2 | -70 | 172 | 0 | 0 | 0 | 110 | L1211 L1212 C1213 N1219 | L1211-I1215 HydrophobicContact CD1-CD1 4.36Å; L1211-I1215 HydrophobicContact CD2-CD1 4.41Å; L1211-I1215 HydrophobicContact CG-CD1 3.89Å; L1211-I1215 HydrophobicContact CG-CG1 4.47Å; L1211-I1215 WeakPolarHBondContact O-CB 3.18Å; L1211-I1215 WeakPolarHBondContact O-CG1 3.44Å; L1211-I1215 PolarHBondContact O-N 2.93Å; L1212-I1215 CarbonylContact O-C 3.54Å; C1213-I1215 VanDerWaalsContact C-N 3.32Å; I1215-N1219 VanDerWaalsContact CG2-ND2 3.32Å; I1215-N1219 WeakPolarHBondContact CG2-ND2 3.38Å; I1215-N1219 WeakPolarHBondContact O-CA 3.47Å; I1215-N1219 WeakPolarHBondContact O-CB 3.46Å; I1215-N1219 PolarHBondContact O-N 2.86Å; I1215-N1219 PolarHBondContact O-ND2 2.9Å |
| 1216 | K | 37.4 | Very low | 43.4 | Very low | 124 Ų | 124 | 63.9 Ų | 63.9 | 54% | 0.539 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -71.6 | -28.6 | 171.9 | -76.7 | 160 | -179.2 | 165.7 | 0 | 112.8 | L1212 C1213 N1219 F1220 | L1212-K1216 HydrophobicContact CD1-CG 4.47Å; L1212-K1216 HydrophobicContact CG-CD 4.1Å; L1212-K1216 VanDerWaalsContact O-CB 3.22Å; L1212-K1216 WeakPolarHBondContact O-CB 3.5Å; L1212-K1216 WeakPolarHBondContact O-CD 3.34Å; L1212-K1216 WeakPolarHBondContact O-CG 3.44Å; L1212-K1216 PolarHBondContact O-N 2.93Å; C1213-K1216 CarbonylContact O-C 3.58Å; C1213-K1216 PolarHBondContact O-N 3.02Å; K1216-N1219 CarbonylContact O-C 3.58Å; K1216-N1219 VanDerWaalsContact O-C 3.26Å; K1216-F1220 WeakPolarHBondContact O-CB 3.41Å; K1216-F1220 PolarHBondContact O-N 2.78Å |
| 1217 | F | 48.8 | Very low | 43.2 | Very low | 25 Ų | 25 | 67.6 Ų | 67.6 | 11% | 0.11 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -86.3 | -39.7 | 175.7 | -178.2 | -89.7 | 0 | 0 | 0 | 113.2 | L1128 L1131 L1206 L1209 C1213 R1214 N1219 F1220 C1221 | L1128-F1217 HydrophobicContact CB-CE2 3.74Å; L1128-F1217 HydrophobicContact CB-CZ 3.73Å; L1128-F1217 HydrophobicContact CD1-CD2 4.49Å; L1128-F1217 HydrophobicContact CD1-CE2 4.35Å; L1128-F1217 HydrophobicContact CD2-CD1 4.35Å; L1128-F1217 HydrophobicContact CD2-CE1 3.82Å; L1128-F1217 HydrophobicContact CD2-CE2 4.24Å; L1128-F1217 HydrophobicContact CD2-CZ 3.76Å; L1128-F1217 HydrophobicContact CG-CE2 4.33Å; L1128-F1217 HydrophobicContact CG-CZ 4.24Å; L1131-F1217 HydrophobicContact CD2-CE1 4.37Å; L1206-F1217 HydrophobicContact CD1-CD1 4.15Å; L1206-F1217 HydrophobicContact CD1-CE1 4.27Å; L1206-F1217 HydrophobicContact CD2-CB 4.12Å; L1206-F1217 HydrophobicContact CD2-CD1 3.55Å; L1206-F1217 HydrophobicContact CD2-CE1 4.4Å; L1206-F1217 HydrophobicContact CD2-CG 4.12Å; L1206-F1217 HydrophobicContact CG-CD1 4.22Å; L1209-F1217 HydrophobicContact CD1-CB 4.21Å; C1213-F1217 WeakPolarHBondContact O-CB 3.27Å; C1213-F1217 PolarHBondContact O-N 2.84Å; R1214-F1217 PolarHBondContact O-N 3.45Å; F1217-N1219 VanDerWaalsContact C-N 3.35Å; F1217-F1220 HydrophobicContact CE2-CD1 4.41Å; F1217-F1220 CarbonylContact O-C 3.51Å; F1217-F1220 VanDerWaalsContact O-C 3.31Å; F1217-F1220 VanDerWaalsContact O-CA 3.29Å; F1217-F1220 WeakPolarHBondContact O-CA 3.23Å; F1217-F1220 WeakPolarHBondContact O-CB 3.31Å; F1217-F1220 PolarHBondContact O-N 3.33Å; F1217-C1221 WeakPolarHBondContact CE1-SG 3.35Å; F1217-C1221 WeakPolarHBondContact CZ-SG 3.13Å; F1217-C1221 PolarHBondContact O-N 3.33Å |
| 1218 | M | 50 | Low | 43.3 | Very low | 70 Ų | 70 | 66.4 Ų | 66.4 | 35% | 0.345 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.6 | -36 | 168.4 | -74 | -64.6 | -138.6 | 0 | 0 | 110 | L1206 R1214 F1220 C1221 S1222 | L1206-M1218 HydrophobicContact CD1-CE 4.34Å; L1206-M1218 HydrophobicContact CD1-SD 4.43Å; R1214-M1218 WeakPolarHBondContact O-CA 3.2Å; R1214-M1218 VanDerWaalsContact O-CB 3.23Å; R1214-M1218 WeakPolarHBondContact O-CB 3.33Å; R1214-M1218 PolarHBondContact O-N 3.31Å; M1218-F1220 PolarHBondContact O-N 3.38Å; M1218-C1221 CarbonylContact O-C 3.48Å; M1218-C1221 WeakPolarHBondContact O-CA 3.49Å; M1218-C1221 PolarHBondContact O-N 2.68Å; M1218-C1221 VanDerWaalsContact O-N 3.08Å; M1218-S1222 WeakPolarHBondContact O-CA 3.42Å; M1218-S1222 WeakPolarHBondContact O-CB 3.41Å; M1218-S1222 PolarHBondContact O-N 2.75Å; M1218-S1222 PolarHBondContact O-OG 2.94Å; M1218-S1222 VanDerWaalsContact O-OG 3.08Å |
| 1219 | N | 43.8 | Very low | 43.7 | Very low | 78 Ų | 78 | 60.6 Ų | 60.6 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 7.2 | 160.1 | -56.3 | -16.9 | 0 | 0 | 0 | 113 | I1215 K1216 F1217 T1223 | I1215-N1219 VanDerWaalsContact CG2-ND2 3.32Å; I1215-N1219 WeakPolarHBondContact CG2-ND2 3.38Å; I1215-N1219 WeakPolarHBondContact O-CA 3.47Å; I1215-N1219 WeakPolarHBondContact O-CB 3.46Å; I1215-N1219 PolarHBondContact O-N 2.86Å; I1215-N1219 PolarHBondContact O-ND2 2.9Å; K1216-N1219 CarbonylContact O-C 3.58Å; K1216-N1219 VanDerWaalsContact O-C 3.26Å; F1217-N1219 VanDerWaalsContact C-N 3.35Å; N1219-T1223 WeakPolarHBondContact O-CA 3.04Å; N1219-T1223 WeakPolarHBondContact O-CB 3.17Å; N1219-T1223 PolarHBondContact O-N 3.02Å; N1219-T1223 PolarHBondContact O-OG1 2.93Å |
| 1220 | F | 46 | Very low | 44.1 | Very low | 99 Ų | 99 | 63.1 Ų | 63.1 | 43% | 0.434 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -24 | 156.7 | -175.2 | -92.7 | 0 | 0 | 0 | 109.4 | A1132 K1216 F1217 M1218 S1222 V1224 | A1132-F1220 HydrophobicContact CB-CE1 4.44Å; K1216-F1220 WeakPolarHBondContact O-CB 3.41Å; K1216-F1220 PolarHBondContact O-N 2.78Å; F1217-F1220 HydrophobicContact CE2-CD1 4.41Å; F1217-F1220 CarbonylContact O-C 3.51Å; F1217-F1220 VanDerWaalsContact O-C 3.31Å; F1217-F1220 VanDerWaalsContact O-CA 3.29Å; F1217-F1220 WeakPolarHBondContact O-CA 3.23Å; F1217-F1220 WeakPolarHBondContact O-CB 3.31Å; F1217-F1220 PolarHBondContact O-N 3.33Å; M1218-F1220 PolarHBondContact O-N 3.38Å; F1220-S1222 VanDerWaalsContact C-N 3.28Å; F1220-V1224 HydrophobicContact CD1-CB 4.49Å; F1220-V1224 HydrophobicContact CD1-CG2 3.95Å; F1220-V1224 HydrophobicContact CD2-CG2 3.5Å; F1220-V1224 HydrophobicContact CE1-CB 4.46Å; F1220-V1224 HydrophobicContact CE1-CG2 3.86Å; F1220-V1224 HydrophobicContact CE2-CG2 3.4Å; F1220-V1224 VanDerWaalsContact CE2-CG2 3.4Å; F1220-V1224 HydrophobicContact CG-CG2 3.78Å; F1220-V1224 HydrophobicContact CZ-CG2 3.59Å; F1220-V1224 WeakPolarHBondContact O-CA 3.38Å; F1220-V1224 WeakPolarHBondContact O-CB 3.12Å; F1220-V1224 VanDerWaalsContact O-CG2 3.23Å; F1220-V1224 WeakPolarHBondContact O-CG2 3.47Å; F1220-V1224 PolarHBondContact O-N 2.79Å |
| 1221 | C | 45 | Very low | 44.4 | Very low | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.034 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 21.2 | 165.8 | -65.9 | 0 | 0 | 0 | 0 | 112.7 | K1135 F1217 M1218 V1225 | K1135-C1221 HydrophobicContact CD-CB 3.9Å; F1217-C1221 WeakPolarHBondContact CE1-SG 3.35Å; F1217-C1221 WeakPolarHBondContact CZ-SG 3.13Å; F1217-C1221 PolarHBondContact O-N 3.33Å; M1218-C1221 CarbonylContact O-C 3.48Å; M1218-C1221 WeakPolarHBondContact O-CA 3.49Å; M1218-C1221 PolarHBondContact O-N 2.68Å; M1218-C1221 VanDerWaalsContact O-N 3.08Å; C1221-V1225 VanDerWaalsContact C-CG2 3.45Å; C1221-V1225 WeakPolarHBondContact O-CB 3.48Å; C1221-V1225 VanDerWaalsContact O-CG1 3.27Å; C1221-V1225 WeakPolarHBondContact O-CG1 3.37Å; C1221-V1225 WeakPolarHBondContact O-CG2 3.2Å |
| 1222 | S | 43.9 | Very low | 44.7 | Very low | 59 Ų | 59 | 55.9 Ų | 55.9 | 41% | 0.413 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.6 | -41.9 | 169.7 | -63.3 | 0 | 0 | 0 | 0 | 109 | M1218 F1220 V1225 A1226 M2219 | M1218-S1222 WeakPolarHBondContact O-CA 3.42Å; M1218-S1222 WeakPolarHBondContact O-CB 3.41Å; M1218-S1222 PolarHBondContact O-N 2.75Å; M1218-S1222 PolarHBondContact O-OG 2.94Å; M1218-S1222 VanDerWaalsContact O-OG 3.08Å; F1220-S1222 VanDerWaalsContact C-N 3.28Å; S1222-V1225 VanDerWaalsContact C-N 3.33Å; S1222-V1225 CarbonylContact O-C 3.51Å; S1222-V1225 WeakPolarHBondContact O-CA 3.5Å; S1222-V1225 PolarHBondContact O-N 3.31Å; S1222-A1226 PolarHBondContact O-N 2.88Å; S1222-M2219 VanDerWaalsContact O-CG 3.26Å; S1222-M2219 WeakPolarHBondContact O-CG 3.41Å |
| 1223 | T | 43.9 | Very low | 45.3 | Very low | 65 Ų | 65 | 54 Ų | 54 | 40% | 0.399 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 4.6 | 166.6 | -33.8 | 0 | 0 | 0 | 0 | 114.2 | N1219 K1227 M2219 | N1219-T1223 WeakPolarHBondContact O-CA 3.04Å; N1219-T1223 WeakPolarHBondContact O-CB 3.17Å; N1219-T1223 PolarHBondContact O-N 3.02Å; N1219-T1223 PolarHBondContact O-OG1 2.93Å; T1223-K1227 PolarHBondContact O-NZ 3Å; T1223-M2219 HydrophobicContact CG2-CE 3.64Å; T1223-M2219 HydrophobicContact CG2-CG 4.28Å; T1223-M2219 HydrophobicContact CG2-SD 3.28Å; T1223-M2219 WeakPolarHBondContact CG2-SD 3.45Å; T1223-M2219 WeakPolarHBondContact O-CB 3.41Å; T1223-M2219 WeakPolarHBondContact O-CG 3.43Å; T1223-M2219 VanDerWaalsContact O-SD 3.39Å |
| 1224 | V | 44.8 | Very low | 45.6 | Very low | 32 Ų | 32 | 55.7 Ų | 55.7 | 19% | 0.194 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | 19.1 | 148.8 | -155.7 | 0 | 0 | 0 | 0 | 110.6 | C1136 F1220 Y2218 M2219 | C1136-V1224 PolarHBondContact SG-O 3.48Å; F1220-V1224 HydrophobicContact CD1-CB 4.49Å; F1220-V1224 HydrophobicContact CD1-CG2 3.95Å; F1220-V1224 HydrophobicContact CD2-CG2 3.5Å; F1220-V1224 HydrophobicContact CE1-CB 4.46Å; F1220-V1224 HydrophobicContact CE1-CG2 3.86Å; F1220-V1224 HydrophobicContact CE2-CG2 3.4Å; F1220-V1224 VanDerWaalsContact CE2-CG2 3.4Å; F1220-V1224 HydrophobicContact CG-CG2 3.78Å; F1220-V1224 HydrophobicContact CZ-CG2 3.59Å; F1220-V1224 WeakPolarHBondContact O-CA 3.38Å; F1220-V1224 WeakPolarHBondContact O-CB 3.12Å; F1220-V1224 VanDerWaalsContact O-CG2 3.23Å; F1220-V1224 WeakPolarHBondContact O-CG2 3.47Å; F1220-V1224 PolarHBondContact O-N 2.79Å; V1224-Y2218 CarbonylContact O-C 3.48Å; V1224-M2219 HydrophobicContact CB-CB 4.45Å; V1224-M2219 VanDerWaalsContact N-CB 3.35Å; V1224-M2219 PolarHBondContact O-N 2.84Å |
| 1225 | V | 50.4 | Low | 45.8 | Very low | 21 Ų | 21 | 54.6 Ų | 54.6 | 13% | 0.127 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -126.5 | 21.2 | 169.8 | 159.8 | 0 | 0 | 0 | 0 | 116.9 | K1135 C1221 S1222 N1229 S2217 Y2218 M2219 | K1135-V1225 HydrophobicContact CB-CG2 4Å; C1221-V1225 VanDerWaalsContact C-CG2 3.45Å; C1221-V1225 WeakPolarHBondContact O-CB 3.48Å; C1221-V1225 VanDerWaalsContact O-CG1 3.27Å; C1221-V1225 WeakPolarHBondContact O-CG1 3.37Å; C1221-V1225 WeakPolarHBondContact O-CG2 3.2Å; S1222-V1225 VanDerWaalsContact C-N 3.33Å; S1222-V1225 CarbonylContact O-C 3.51Å; S1222-V1225 WeakPolarHBondContact O-CA 3.5Å; S1222-V1225 PolarHBondContact O-N 3.31Å; V1225-N1229 PolarHBondContact O-ND2 2.86Å; V1225-S2217 VanDerWaalsContact CA-C 3.43Å; V1225-S2217 VanDerWaalsContact CG1-C 3.42Å; V1225-S2217 VanDerWaalsContact CG1-CB 3.47Å; V1225-S2217 WeakPolarHBondContact CG1-O 3.22Å; V1225-S2217 VanDerWaalsContact CG2-O 3.31Å; V1225-S2217 WeakPolarHBondContact CG2-O 3.24Å; V1225-S2217 CarbonylContact O-C 3.32Å; V1225-S2217 WeakPolarHBondContact O-CA 3.5Å; V1225-Y2218 CarbonylContact C-O 3.53Å; V1225-Y2218 VanDerWaalsContact CA-N 3.31Å; V1225-Y2218 PolarHBondContact O-N 3.18Å; V1225-M2219 VanDerWaalsContact CA-N 3.29Å; V1225-M2219 VanDerWaalsContact N-CB 3.34Å; V1225-M2219 VanDerWaalsContact N-N 3.13Å |
| 1226 | A | 48.3 | Very low | 46 | Very low | 40 Ų | 40 | 51.8 Ų | 51.8 | 33% | 0.331 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -138 | -61.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | S1222 T1228 N1229 H1230 Y2218 M2219 | S1222-A1226 PolarHBondContact O-N 2.88Å; A1226-T1228 PolarHBondContact O-N 3.41Å; A1226-N1229 WeakPolarHBondContact CA-ND2 3.44Å; A1226-N1229 CarbonylContact O-C 3.57Å; A1226-N1229 WeakPolarHBondContact O-CA 3.36Å; A1226-N1229 WeakPolarHBondContact O-CB 3.37Å; A1226-N1229 PolarHBondContact O-N 3.05Å; A1226-N1229 PolarHBondContact O-ND2 3.25Å; A1226-H1230 PolarHBondContact O-N 2.78Å; A1226-Y2218 CarbonylContact C-O 3.47Å; A1226-Y2218 WeakPolarHBondContact CA-O 3.5Å; A1226-Y2218 PolarHBondContact N-O 2.81Å; A1226-M2219 VanDerWaalsContact C-CG 3.45Å; A1226-M2219 HydrophobicContact CB-CE 3.79Å; A1226-M2219 HydrophobicContact CB-CG 3.68Å |
| 1227 | K | 43.5 | Very low | 46.3 | Very low | 92 Ų | 92 | 48.7 Ų | 48.7 | 40% | 0.4 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -34 | -15 | 164.2 | -101.6 | -174.9 | -70 | 81.8 | 0 | 119.3 | T1223 H1230 T1231 M2219 | T1223-K1227 PolarHBondContact O-NZ 3Å; K1227-H1230 VanDerWaalsContact CA-CB 3.41Å; K1227-H1230 CarbonylContact O-C 3.44Å; K1227-T1231 WeakPolarHBondContact O-CA 3.34Å; K1227-T1231 WeakPolarHBondContact O-CB 3.33Å; K1227-T1231 PolarHBondContact O-N 2.76Å; K1227-T1231 PolarHBondContact O-OG1 2.96Å; K1227-M2219 HydrophobicContact CB-CB 3.48Å; K1227-M2219 VanDerWaalsContact CB-CB 3.48Å; K1227-M2219 HydrophobicContact CB-CG 3.53Å; K1227-M2219 WeakPolarHBondContact CB-O 3.48Å; K1227-M2219 HydrophobicContact CB-SD 3.31Å; K1227-M2219 WeakPolarHBondContact CB-SD 3.15Å; K1227-M2219 HydrophobicContact CD-SD 3.8Å; K1227-M2219 WeakPolarHBondContact CE-SD 3.28Å; K1227-M2219 HydrophobicContact CG-CG 4.27Å; K1227-M2219 HydrophobicContact CG-SD 3.35Å; K1227-M2219 WeakPolarHBondContact CG-SD 3.36Å; K1227-M2219 PolarHBondContact N-SD 2.75Å; K1227-M2219 VanDerWaalsContact N-SD 3.4Å; K1227-M2219 PolarHBondContact NZ-O 2.93Å; K1227-M2219 PolarHBondContact NZ-SD 3.36Å; K1227-M2219 VanDerWaalsContact NZ-SD 3.4Å |
| 1228 | T | 48.7 | Very low | 46.1 | Very low | 19 Ų | 19 | 55.1 Ų | 55.1 | 12% | 0.117 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -114.2 | -20.7 | 179.9 | -75.3 | 0 | 0 | 0 | 0 | 110.3 | A1226 H1230 T1231 T1232 Y2218 M2219 | A1226-T1228 PolarHBondContact O-N 3.41Å; T1228-H1230 VanDerWaalsContact C-N 3.33Å; T1228-T1231 CarbonylContact O-C 3.43Å; T1228-T1232 WeakPolarHBondContact O-CB 3.3Å; T1228-T1232 PolarHBondContact O-N 2.78Å; T1228-T1232 PolarHBondContact O-OG1 3.34Å; T1228-Y2218 CarbonylContact C-O 3.46Å; T1228-Y2218 VanDerWaalsContact CA-O 3.31Å; T1228-Y2218 WeakPolarHBondContact CA-O 3.33Å; T1228-Y2218 VanDerWaalsContact CB-CD1 3.5Å; T1228-Y2218 HydrophobicContact CG2-CD1 3.42Å; T1228-Y2218 VanDerWaalsContact CG2-CD1 3.42Å; T1228-Y2218 HydrophobicContact CG2-CD2 3.73Å; T1228-Y2218 HydrophobicContact CG2-CE1 3.82Å; T1228-Y2218 HydrophobicContact CG2-CE2 4.12Å; T1228-Y2218 HydrophobicContact CG2-CG 3.37Å; T1228-Y2218 PolarHBondContact N-O 3.31Å; T1228-M2219 WeakPolarHBondContact CB-OXT 3.12Å; T1228-M2219 PolarHBondContact OG1-OXT 3.33Å |
| 1229 | N | 48 | Very low | 45.8 | Very low | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.011 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.5 | -51.1 | 143.4 | -38.2 | -34.6 | 0 | 0 | 0 | 107.7 | V1143 V1225 A1226 T1231 T1232 K1233 F2216 S2217 Y2218 | V1143-N1229 HydrophobicContact CB-CB 4.44Å; V1143-N1229 HydrophobicContact CG1-CB 4.2Å; V1143-N1229 HydrophobicContact CG2-CB 3.55Å; V1143-N1229 WeakPolarHBondContact CG2-OD1 3.48Å; V1225-N1229 PolarHBondContact O-ND2 2.86Å; A1226-N1229 WeakPolarHBondContact CA-ND2 3.44Å; A1226-N1229 CarbonylContact O-C 3.57Å; A1226-N1229 WeakPolarHBondContact O-CA 3.36Å; A1226-N1229 WeakPolarHBondContact O-CB 3.37Å; A1226-N1229 PolarHBondContact O-N 3.05Å; A1226-N1229 PolarHBondContact O-ND2 3.25Å; N1229-T1231 PolarHBondContact O-N 2.94Å; N1229-T1232 CarbonylContact O-C 3.2Å; N1229-T1232 VanDerWaalsContact O-C 3.28Å; N1229-T1232 VanDerWaalsContact O-CA 3.24Å; N1229-T1232 WeakPolarHBondContact O-CA 3.48Å; N1229-T1232 WeakPolarHBondContact O-CB 3.47Å; N1229-T1232 PolarHBondContact O-N 3.2Å; N1229-K1233 WeakPolarHBondContact O-CB 3.34Å; N1229-K1233 PolarHBondContact O-N 3.36Å; N1229-F2216 HydrophobicContact CB-CB 4.4Å; N1229-F2216 HydrophobicContact CB-CD1 3.26Å; N1229-F2216 HydrophobicContact CB-CE1 3.47Å; N1229-F2216 VanDerWaalsContact CB-CE1 3.47Å; N1229-F2216 HydrophobicContact CB-CG 3.96Å; N1229-F2216 HydrophobicContact CB-CZ 4.33Å; N1229-F2216 WeakPolarHBondContact ND2-CA 3.37Å; N1229-F2216 WeakPolarHBondContact ND2-CB 3.39Å; N1229-S2217 PolarHBondContact ND2-N 2.9Å; N1229-S2217 PolarHBondContact OD1-N 2.75Å; N1229-Y2218 VanDerWaalsContact CG-O 3.29Å; N1229-Y2218 PolarHBondContact N-O 3.29Å; N1229-Y2218 PolarHBondContact ND2-N 3.14Å; N1229-Y2218 WeakPolarHBondContact OD1-CB 3.44Å; N1229-Y2218 PolarHBondContact OD1-N 3.28Å; N1229-Y2218 PolarHBondContact OD1-O 3.47Å |
| 1230 | H | 47.8 | Very low | 45.7 | Very low | 95 Ų | 95 | 53.3 Ų | 53.3 | 44% | 0.44 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65 | -36 | 178.1 | -156.2 | -102.3 | 0 | 0 | 0 | 112.8 | A1226 K1227 T1228 T1232 Q1234 | A1226-H1230 PolarHBondContact O-N 2.78Å; K1227-H1230 VanDerWaalsContact CA-CB 3.41Å; K1227-H1230 CarbonylContact O-C 3.44Å; T1228-H1230 VanDerWaalsContact C-N 3.33Å; H1230-T1232 PolarHBondContact O-N 3.47Å; H1230-Q1234 VanDerWaalsContact CE1-CD 3.41Å; H1230-Q1234 PolarHBondContact CE1-NE2 3.48Å; H1230-Q1234 WeakPolarHBondContact O-CA 3.12Å; H1230-Q1234 WeakPolarHBondContact O-CB 3.49Å; H1230-Q1234 WeakPolarHBondContact O-CG 3.32Å; H1230-Q1234 PolarHBondContact O-N 2.84Å |
| 1231 | T | 45 | Very low | 45.6 | Very low | 37 Ų | 37 | 52.6 Ų | 52.6 | 23% | 0.227 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -84 | 9.2 | 171.5 | -58 | 0 | 0 | 0 | 0 | 110.8 | K1227 T1228 N1229 K1235 K1769 | K1227-T1231 WeakPolarHBondContact O-CA 3.34Å; K1227-T1231 WeakPolarHBondContact O-CB 3.33Å; K1227-T1231 PolarHBondContact O-N 2.76Å; K1227-T1231 PolarHBondContact O-OG1 2.96Å; T1228-T1231 CarbonylContact O-C 3.43Å; N1229-T1231 PolarHBondContact O-N 2.94Å; T1231-K1235 HydrophobicContact CG2-CD 3.87Å; T1231-K1235 HydrophobicContact CG2-CG 4.27Å; T1231-K1235 WeakPolarHBondContact O-CB 3.39Å; T1231-K1235 VanDerWaalsContact O-CD 3.32Å; T1231-K1235 WeakPolarHBondContact O-CD 3.46Å; T1231-K1235 WeakPolarHBondContact O-CG 3.28Å; T1231-K1769 PolarHBondContact O-NZ 3.28Å |
| 1232 | T | 45.8 | Very low | 45.6 | Very low | 4 Ų | 4 | 57.8 Ų | 57.8 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -107.4 | -67.8 | 161.9 | -60.1 | 0 | 0 | 0 | 0 | 107.1 | V1143 K1144 T1228 N1229 H1230 Q1234 K1235 L1236 K1769 | V1143-T1232 HydrophobicContact CB-CG2 4.23Å; V1143-T1232 HydrophobicContact CG1-CG2 3.78Å; K1144-T1232 HydrophobicContact CG-CG2 4.03Å; T1228-T1232 WeakPolarHBondContact O-CB 3.3Å; T1228-T1232 PolarHBondContact O-N 2.78Å; T1228-T1232 PolarHBondContact O-OG1 3.34Å; N1229-T1232 CarbonylContact O-C 3.2Å; N1229-T1232 VanDerWaalsContact O-C 3.28Å; N1229-T1232 VanDerWaalsContact O-CA 3.24Å; N1229-T1232 WeakPolarHBondContact O-CA 3.48Å; N1229-T1232 WeakPolarHBondContact O-CB 3.47Å; N1229-T1232 PolarHBondContact O-N 3.2Å; H1230-T1232 PolarHBondContact O-N 3.47Å; T1232-Q1234 PolarHBondContact O-N 3.24Å; T1232-K1235 CarbonylContact O-C 3.48Å; T1232-K1235 WeakPolarHBondContact O-CA 3.34Å; T1232-K1235 PolarHBondContact O-N 2.7Å; T1232-L1236 HydrophobicContact CG2-CD1 3.43Å; T1232-L1236 VanDerWaalsContact CG2-CD1 3.43Å; T1232-L1236 HydrophobicContact CG2-CG 4.41Å; T1232-L1236 WeakPolarHBondContact O-CB 3.24Å; T1232-L1236 WeakPolarHBondContact O-CD1 3.18Å; T1232-L1236 WeakPolarHBondContact O-CG 3.41Å; T1232-L1236 PolarHBondContact O-N 2.94Å; T1232-K1769 PolarHBondContact OG1-NZ 3.05Å; T1232-K1769 VanDerWaalsContact OG1-NZ 3.1Å |
| 1233 | K | 48.4 | Very low | 45.5 | Very low | 45 Ų | 45 | 59.3 Ų | 59.3 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -32.3 | -61.6 | 164.9 | -112.4 | -170.9 | -174.7 | -179.3 | 0 | 112.9 | N1229 K1235 L1236 S1237 D2033 F2216 | N1229-K1233 WeakPolarHBondContact O-CB 3.34Å; N1229-K1233 PolarHBondContact O-N 3.36Å; K1233-K1235 PolarHBondContact O-N 3Å; K1233-L1236 CarbonylContact O-C 3.38Å; K1233-L1236 WeakPolarHBondContact O-CA 3.42Å; K1233-L1236 WeakPolarHBondContact O-CB 3.21Å; K1233-L1236 PolarHBondContact O-N 3.4Å; K1233-S1237 WeakPolarHBondContact O-CB 3.28Å; K1233-S1237 PolarHBondContact O-N 3.41Å; K1233-S1237 PolarHBondContact O-OG 3.2Å; K1233-D2033 IonicContact NZ-OD1 2.69Å; K1233-D2033 PolarHBondContact NZ-OD1 2.94Å; K1233-D2033 IonicContact NZ-OD2 2.64Å; K1233-D2033 PolarHBondContact NZ-OD2 3.1Å; K1233-F2216 HydrophobicContact CD-CE1 3.69Å; K1233-F2216 HydrophobicContact CD-CZ 3.65Å; K1233-F2216 HydrophobicContact CG-CE1 4.13Å; K1233-F2216 HydrophobicContact CG-CZ 3.86Å |
| 1234 | Q | 45.2 | Very low | 45.3 | Very low | 81 Ų | 81 | 63.2 Ų | 63.2 | 38% | 0.379 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.9 | -33.4 | 177.2 | -68.9 | -167.1 | -26 | 0 | 0 | 115.2 | H1230 T1232 L1236 S1237 K1238 | H1230-Q1234 VanDerWaalsContact CE1-CD 3.41Å; H1230-Q1234 PolarHBondContact CE1-NE2 3.48Å; H1230-Q1234 WeakPolarHBondContact O-CA 3.12Å; H1230-Q1234 WeakPolarHBondContact O-CB 3.49Å; H1230-Q1234 WeakPolarHBondContact O-CG 3.32Å; H1230-Q1234 PolarHBondContact O-N 2.84Å; T1232-Q1234 PolarHBondContact O-N 3.24Å; Q1234-L1236 PolarHBondContact O-N 3.37Å; Q1234-S1237 WeakPolarHBondContact CA-OG 3.3Å; Q1234-K1238 WeakPolarHBondContact O-CB 3.47Å; Q1234-K1238 VanDerWaalsContact O-CG 3.28Å; Q1234-K1238 WeakPolarHBondContact O-CG 3.34Å; Q1234-K1238 PolarHBondContact O-N 2.85Å; Q1234-K1238 VanDerWaalsContact O-N 3.09Å |
| 1235 | K | 43.9 | Very low | 45.4 | Very low | 80 Ų | 80 | 63 Ų | 63 | 35% | 0.348 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -73.1 | -6.9 | 173.3 | -75.7 | -171.4 | 176.4 | 165.1 | 0 | 112.4 | T1231 T1232 K1233 | T1231-K1235 HydrophobicContact CG2-CD 3.87Å; T1231-K1235 HydrophobicContact CG2-CG 4.27Å; T1231-K1235 WeakPolarHBondContact O-CB 3.39Å; T1231-K1235 VanDerWaalsContact O-CD 3.32Å; T1231-K1235 WeakPolarHBondContact O-CD 3.46Å; T1231-K1235 WeakPolarHBondContact O-CG 3.28Å; T1232-K1235 CarbonylContact O-C 3.48Å; T1232-K1235 WeakPolarHBondContact O-CA 3.34Å; T1232-K1235 PolarHBondContact O-N 2.7Å; K1233-K1235 PolarHBondContact O-N 3Å |
| 1236 | L | 47.3 | Very low | 44.9 | Very low | 15 Ų | 15 | 63.4 Ų | 63.4 | 8% | 0.079 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -111.7 | -40.4 | -178.5 | -61.7 | 171.8 | 0 | 0 | 0 | 110.8 | F1147 H1160 T1232 K1233 Q1234 T1239 | F1147-L1236 HydrophobicContact CB-CD1 3.58Å; F1147-L1236 HydrophobicContact CD1-CB 3.84Å; F1147-L1236 HydrophobicContact CD1-CD1 3.68Å; F1147-L1236 HydrophobicContact CD1-CD2 3.78Å; F1147-L1236 HydrophobicContact CD1-CG 3.95Å; F1147-L1236 HydrophobicContact CD2-CB 3.59Å; F1147-L1236 HydrophobicContact CD2-CD1 4.24Å; F1147-L1236 HydrophobicContact CD2-CG 4.45Å; F1147-L1236 HydrophobicContact CE1-CB 3.79Å; F1147-L1236 HydrophobicContact CE1-CD1 4.39Å; F1147-L1236 HydrophobicContact CE1-CD2 3.77Å; F1147-L1236 HydrophobicContact CE1-CG 4.17Å; F1147-L1236 HydrophobicContact CE2-CB 3.54Å; F1147-L1236 HydrophobicContact CG-CB 3.7Å; F1147-L1236 HydrophobicContact CG-CD1 3.55Å; F1147-L1236 HydrophobicContact CG-CD2 4.39Å; F1147-L1236 HydrophobicContact CG-CG 4.06Å; F1147-L1236 HydrophobicContact CZ-CB 3.6Å; F1147-L1236 HydrophobicContact CZ-CD2 4.38Å; F1147-L1236 HydrophobicContact CZ-CG 4.47Å; H1160-L1236 WeakPolarHBondContact CE1-CD2 3.22Å; H1160-L1236 WeakPolarHBondContact NE2-CD2 3.41Å; T1232-L1236 HydrophobicContact CG2-CD1 3.43Å; T1232-L1236 VanDerWaalsContact CG2-CD1 3.43Å; T1232-L1236 HydrophobicContact CG2-CG 4.41Å; T1232-L1236 WeakPolarHBondContact O-CB 3.24Å; T1232-L1236 WeakPolarHBondContact O-CD1 3.18Å; T1232-L1236 WeakPolarHBondContact O-CG 3.41Å; T1232-L1236 PolarHBondContact O-N 2.94Å; K1233-L1236 CarbonylContact O-C 3.38Å; K1233-L1236 WeakPolarHBondContact O-CA 3.42Å; K1233-L1236 WeakPolarHBondContact O-CB 3.21Å; K1233-L1236 PolarHBondContact O-N 3.4Å; Q1234-L1236 PolarHBondContact O-N 3.37Å; L1236-T1239 PolarHBondContact O-N 2.91Å; L1236-T1239 VanDerWaalsContact O-N 3.12Å; L1236-T1239 PolarHBondContact O-OG1 2.88Å |
| 1237 | S | 44.8 | Very low | 44.6 | Very low | 59 Ų | 59 | 65.4 Ų | 65.4 | 41% | 0.413 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -72.8 | -32.8 | 173.4 | 69.9 | 0 | 0 | 0 | 0 | 113.2 | K1233 Q1234 T1239 L1240 | K1233-S1237 WeakPolarHBondContact O-CB 3.28Å; K1233-S1237 PolarHBondContact O-N 3.41Å; K1233-S1237 PolarHBondContact O-OG 3.2Å; Q1234-S1237 WeakPolarHBondContact CA-OG 3.3Å; S1237-T1239 PolarHBondContact O-N 2.81Å; S1237-L1240 WeakPolarHBondContact O-CB 3.38Å; S1237-L1240 PolarHBondContact O-N 2.91Å |
| 1238 | K | 43.3 | Very low | 44.7 | Very low | 159 Ų | 159 | 64.5 Ų | 64.5 | 69% | 0.691 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 15.6 | 164.9 | -67 | -174.8 | 175.2 | -174.4 | 0 | 113.6 | Q1234 | Q1234-K1238 WeakPolarHBondContact O-CB 3.47Å; Q1234-K1238 VanDerWaalsContact O-CG 3.28Å; Q1234-K1238 WeakPolarHBondContact O-CG 3.34Å; Q1234-K1238 PolarHBondContact O-N 2.85Å; Q1234-K1238 VanDerWaalsContact O-N 3.09Å |
| 1239 | T | 44.2 | Very low | 44.3 | Very low | 26 Ų | 26 | 71.9 Ų | 71.9 | 16% | 0.16 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | 11.5 | 165.7 | 68.5 | 0 | 0 | 0 | 0 | 114.2 | P1158 R1159 H1160 L1236 S1237 | P1158-T1239 WeakPolarHBondContact CB-OG1 3.31Å; R1159-T1239 HydrophobicContact CB-CG2 4.12Å; R1159-T1239 PolarHBondContact N-O 3.23Å; H1160-T1239 PolarHBondContact CE1-OG1 2.93Å; H1160-T1239 PolarHBondContact ND1-OG1 3.08Å; L1236-T1239 PolarHBondContact O-N 2.91Å; L1236-T1239 VanDerWaalsContact O-N 3.12Å; L1236-T1239 PolarHBondContact O-OG1 2.88Å; S1237-T1239 PolarHBondContact O-N 2.81Å |
| 1240 | L | 42.3 | Very low | 43.9 | Very low | 85 Ų | 85 | 80.5 Ų | 80.5 | 45% | 0.445 | 41% | 0.406 | S | S | . | . | trans | -94.3 | 146.8 | 160.4 | -48.9 | -173.8 | 0 | 0 | 0 | 108.7 | I1156 S1237 | I1156-L1240 HydrophobicContact CG2-CD2 3.41Å; I1156-L1240 VanDerWaalsContact CG2-CD2 3.41Å; S1237-L1240 WeakPolarHBondContact O-CB 3.38Å; S1237-L1240 PolarHBondContact O-N 2.91Å | ||
| 1241 | V | 43.6 | Very low | 44 | Very low | 83 Ų | 83 | 83.6 Ų | 83.6 | 50% | 0.503 | 42% | 0.418 | S | S | . | . | trans | -144.6 | -28.8 | -166.7 | -171.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1242 | Y | 45.3 | Very low | 44.3 | Very low | 114 Ų | 114 | 86.4 Ų | 86.4 | 45% | 0.447 | 43% | 0.432 | S | S | . | . | trans | -141.5 | 154.9 | 176.1 | -47.7 | -88.6 | 0 | 0 | 0 | 108.7 | S1336 | Y1242-S1336 PolarHBondContact OH-O 3.35Š| ||
| 1243 | D | 41.3 | Very low | 44.9 | Very low | 92 Ų | 92 | 86.8 Ų | 86.8 | 49% | 0.492 | 43% | 0.434 | S | S | . | . | trans | -87.9 | -177.6 | 159.3 | 53.1 | 32 | 0 | 0 | 0 | 110.6 | D1245 | D1243-D1245 VanDerWaalsContact C-N 3.29Å; D1243-D1245 PolarHBondContact O-N 2.87Å; D1243-D1245 VanDerWaalsContact O-N 3.17Å | ||
| 1244 | N | 39.8 | Very low | 45.6 | Very low | 147 Ų | 147 | 85.7 Ų | 85.7 | 79% | 0.786 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -22.8 | -155.4 | -73.1 | -17.1 | 0 | 0 | 0 | 115.3 | ||
| 1245 | D | 45.5 | Very low | 46.4 | Very low | 27 Ų | 27 | 90.3 Ų | 90.3 | 14% | 0.144 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 3.1 | -170.6 | -46.6 | -68 | 0 | 0 | 0 | 113.1 | D1243 K2007 K2011 | D1243-D1245 VanDerWaalsContact C-N 3.29Å; D1243-D1245 PolarHBondContact O-N 2.87Å; D1243-D1245 VanDerWaalsContact O-N 3.17Å; D1245-K2007 WeakPolarHBondContact OD1-CB 3.31Å; D1245-K2011 HydrophobicContact CB-CB 3.56Å; D1245-K2011 HydrophobicContact CB-CD 3.69Å; D1245-K2011 HydrophobicContact CB-CG 3.66Å; D1245-K2011 WeakPolarHBondContact O-CE 3.23Å; D1245-K2011 PolarHBondContact O-NZ 3.46Å |
| 1246 | G | 40.6 | Very low | 47.5 | Very low | 30 Ų | 30 | 91.2 Ų | 91.2 | 31% | 0.309 | 45% | 0.451 | S | S | . | . | trans | 74.7 | 49 | 159 | 0 | 0 | 0 | 0 | 0 | 116.9 | T1339 K2011 | G1246-T1339 WeakPolarHBondContact O-CG2 3.05Å; G1246-K2011 PolarHBondContact O-NZ 3.44Å | ||
| 1247 | N | 41.7 | Very low | 48.7 | Very low | 82 Ų | 82 | 90.5 Ų | 90.5 | 44% | 0.439 | 45% | 0.448 | S | S | . | . | trans | -110.3 | 179 | 158.8 | -94.1 | 12.9 | 0 | 0 | 0 | 110.9 | K2011 | N1247-K2011 VanDerWaalsContact CB-CE 3.45Å; N1247-K2011 VanDerWaalsContact CG-NZ 3.28Å; N1247-K2011 WeakPolarHBondContact ND2-CE 3.32Å; N1247-K2011 WeakPolarHBondContact OD1-CE 3.41Å; N1247-K2011 PolarHBondContact OD1-NZ 3.49Å | ||
| 1248 | L | 45.7 | Very low | 50.3 | Low | 72 Ų | 72 | 90.2 Ų | 90.2 | 38% | 0.377 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -102 | 153.1 | -179.5 | -106.2 | 69 | 0 | 0 | 0 | 113.2 | I1337 | L1248-I1337 HydrophobicContact CD1-CG2 3.7Å; L1248-I1337 WeakPolarHBondContact CD1-O 3.29Å; L1248-I1337 HydrophobicContact CD2-CG2 3.61Å; L1248-I1337 HydrophobicContact CG-CG2 4.05Å |
| 1249 | F | 40.2 | Very low | 52.3 | Low | 175 Ų | 175 | 84 Ų | 84 | 77% | 0.768 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 149 | 165 | -119.7 | -100 | 0 | 0 | 0 | 111.3 | ||
| 1250 | Q | 40.8 | Very low | 54.1 | Low | 182 Ų | 182 | 82.8 Ų | 82.8 | 85% | 0.85 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 141.2 | -165.6 | -66 | 169 | -40.3 | 0 | 0 | 116 | ||
| 1251 | F | 50.4 | Low | 56.1 | Low | 161 Ų | 161 | 78.8 Ų | 78.8 | 71% | 0.706 | 39% | 0.391 | S | S | * | . | trans | -135.1 | 156 | 161.9 | -86.8 | -100 | 0 | 0 | 0 | 108.9 | ||||
| 1252 | N | 50.6 | Low | 57.7 | Low | 95 Ų | 95 | 76 Ų | 76 | 51% | 0.508 | 37% | 0.374 | S | S | . | . | trans | -100.2 | 118.2 | 171.1 | -177 | -45.8 | 0 | 0 | 0 | 110.1 | D1254 | N1252-D1254 PolarHBondContact OD1-N 3.34Š| ||
| 1253 | P | 57 | Low | 59.3 | Low | 13 Ų | 13 | 71.5 Ų | 71.5 | 8% | 0.084 | 36% | 0.359 | C | S | . | . | trans | -69.6 | -35.2 | -177.6 | -31 | 41.3 | 0 | 0 | 0 | 117.7 | K1255 Y1256 K1270 E1271 | P1253-K1255 PolarHBondContact O-N 3.21Å; P1253-Y1256 PolarHBondContact O-N 3.12Å; P1253-K1270 HydrophobicContact CB-CB 3.91Å; P1253-K1270 HydrophobicContact CB-CD 3.71Å; P1253-K1270 HydrophobicContact CB-CG 3.46Å; P1253-K1270 VanDerWaalsContact CB-CG 3.46Å; P1253-K1270 WeakPolarHBondContact CB-O 3.2Å; P1253-K1270 HydrophobicContact CG-CB 3.97Å; P1253-K1270 HydrophobicContact CG-CD 3.8Å; P1253-K1270 HydrophobicContact CG-CG 3.9Å; P1253-E1271 HydrophobicContact CG-CG 3.99Å | ||
| 1254 | D | 64.2 | Low | 61 | Low | 21 Ų | 21 | 71.7 Ų | 71.7 | 11% | 0.112 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -16.3 | -153.9 | -61.6 | -22.4 | 0 | 0 | 0 | 113.2 | F709 N710 N1252 Y1256 K1270 | F709-D1254 HydrophobicContact CD2-CB 3.85Å; F709-D1254 HydrophobicContact CE2-CB 3.83Å; N710-D1254 VanDerWaalsContact CB-OD2 3.29Å; N710-D1254 WeakPolarHBondContact CB-OD2 3.34Å; N710-D1254 PolarHBondContact N-OD2 2.86Å; N1252-D1254 PolarHBondContact OD1-N 3.34Å; D1254-Y1256 PolarHBondContact O-N 3.44Å; D1254-K1270 VanDerWaalsContact CG-NZ 3.26Å; D1254-K1270 WeakPolarHBondContact OD1-CD 3.35Å; D1254-K1270 WeakPolarHBondContact OD1-CE 2.59Å; D1254-K1270 IonicContact OD1-NZ 2.73Å; D1254-K1270 PolarHBondContact OD1-NZ 3.19Å; D1254-K1270 IonicContact OD2-NZ 2.77Å; D1254-K1270 PolarHBondContact OD2-NZ 3.48Å |
| 1255 | K | 61.5 | Low | 63.1 | Low | 178 Ų | 178 | 65.7 Ų | 65.7 | 77% | 0.774 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -11 | 173.3 | -169.3 | 162.8 | -174.7 | 165.1 | 0 | 113.9 | P1253 | P1253-K1255 PolarHBondContact O-N 3.21Š|
| 1256 | Y | 66.9 | Low | 64.7 | Low | 100 Ų | 100 | 66.8 Ų | 66.8 | 39% | 0.392 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -125.1 | -0.6 | -171.8 | -57.6 | -76 | 0 | 0 | 0 | 114.5 | P1253 D1254 G1365 V1366 | P1253-Y1256 PolarHBondContact O-N 3.12Å; D1254-Y1256 PolarHBondContact O-N 3.44Å; Y1256-G1365 CarbonylContact O-C 3.53Å; Y1256-G1365 WeakPolarHBondContact O-CA 3.32Å; Y1256-V1366 PolarHBondContact O-N 3.34Å |
| 1257 | V | 73.5 | Confident | 66 | Low | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131.4 | 179.7 | -171.4 | 0 | 0 | 0 | 0 | 108.8 | L1273 V1366 | V1257-L1273 HydrophobicContact CG1-CD1 4.02Å; V1257-L1273 HydrophobicContact CG2-CB 3.69Å; V1257-L1273 HydrophobicContact CG2-CD1 4.36Å; V1257-V1366 CarbonylContact C-O 3.59Å |
| 1258 | S | 77.2 | Confident | 67.4 | Low | 53 Ų | 53 | 68 Ų | 68 | 37% | 0.371 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 107.3 | -178.9 | -59.3 | 0 | 0 | 0 | 0 | 110 | L1260 V1366 V1367 V1368 | S1258-L1260 PolarHBondContact O-N 3.22Å; S1258-V1366 PolarHBondContact N-O 3.27Å; S1258-V1367 WeakPolarHBondContact O-CA 3.41Å; S1258-V1368 PolarHBondContact O-N 2.84Å; S1258-V1368 VanDerWaalsContact O-N 3.16Å |
| 1259 | N | 85.3 | Confident | 68.9 | Low | 27 Ų | 27 | 64.9 Ų | 64.9 | 14% | 0.144 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 113.9 | 179.9 | -74.4 | -1.4 | 0 | 0 | 0 | 109.9 | L706 F707 I795 L1265 | L706-N1259 HydrophobicContact CD1-CB 4.25Å; L706-N1259 HydrophobicContact CD2-CB 3.47Å; L706-N1259 VanDerWaalsContact CD2-CB 3.47Å; L706-N1259 HydrophobicContact CG-CB 4.01Å; L706-N1259 VanDerWaalsContact CG-CG 3.47Å; L706-N1259 WeakPolarHBondContact CG-OD1 3.02Å; F707-N1259 PolarHBondContact O-OD1 3.12Å; I795-N1259 WeakPolarHBondContact CG1-O 3.03Å; N1259-L1265 VanDerWaalsContact ND2-CD1 3.35Å; N1259-L1265 WeakPolarHBondContact ND2-CD1 3.32Å |
| 1260 | L | 82.9 | Confident | 70.5 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | trans | -104 | 26.8 | 166.3 | -88.3 | 162.5 | 0 | 0 | 0 | 111.3 | S794 I795 S1258 V1367 V1368 I1369 N1370 P1440 I1447 | S794-L1260 CarbonylContact O-C 3.49Å; I795-L1260 VanDerWaalsContact C-C 3.43Å; I795-L1260 VanDerWaalsContact CA-CA 3.44Å; I795-L1260 HydrophobicContact CB-CB 4.43Å; I795-L1260 HydrophobicContact CB-CD2 3.55Å; I795-L1260 HydrophobicContact CB-CG 4.19Å; I795-L1260 HydrophobicContact CD1-CD2 3.75Å; I795-L1260 HydrophobicContact CD1-CG 3.96Å; I795-L1260 HydrophobicContact CG1-CB 4.02Å; I795-L1260 HydrophobicContact CG1-CD2 3.54Å; I795-L1260 HydrophobicContact CG1-CG 3.68Å; I795-L1260 CarbonylContact O-C 3.57Å; I795-L1260 VanDerWaalsContact O-CA 3.3Å; I795-L1260 WeakPolarHBondContact O-CA 3.18Å; S1258-L1260 PolarHBondContact O-N 3.22Å; L1260-V1367 HydrophobicContact CD1-CG1 3.14Å; L1260-V1367 HydrophobicContact CG-CG1 4.08Å; L1260-V1368 CarbonylContact C-O 3.6Å; L1260-V1368 WeakPolarHBondContact CA-O 3.39Å; L1260-V1368 VanDerWaalsContact CB-O 3.28Å; L1260-V1368 WeakPolarHBondContact CB-O 3.24Å; L1260-V1368 PolarHBondContact N-O 3.04Å; L1260-I1369 HydrophobicContact CB-CB 3.51Å; L1260-I1369 HydrophobicContact CB-CG1 4.16Å; L1260-I1369 HydrophobicContact CD1-CB 3.67Å; L1260-I1369 HydrophobicContact CD1-CD1 4.22Å; L1260-I1369 HydrophobicContact CD1-CG1 4.31Å; L1260-I1369 HydrophobicContact CD1-CG2 4.09Å; L1260-I1369 HydrophobicContact CD2-CD1 4.47Å; L1260-I1369 HydrophobicContact CG-CB 4.14Å; L1260-I1369 CarbonylContact O-C 2.91Å; L1260-I1369 VanDerWaalsContact O-C 3.31Å; L1260-I1369 WeakPolarHBondContact O-CA 3.19Å; L1260-N1370 PolarHBondContact O-N 2.99Å; L1260-N1370 PolarHBondContact O-ND2 3.43Å; L1260-P1440 HydrophobicContact CD1-CB 3.97Å; L1260-P1440 HydrophobicContact CD1-CG 3.77Å; L1260-I1447 HydrophobicContact CD2-CD1 3.85Å | ||
| 1261 | S | 82.9 | Confident | 71.7 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -136.5 | 168.9 | -168.1 | 127.5 | 0 | 0 | 0 | 0 | 118 | L706 I795 V1263 I1355 V1368 I1369 N1370 | L706-S1261 VanDerWaalsContact CD2-OG 3.29Å; L706-S1261 WeakPolarHBondContact CD2-OG 3.48Å; I795-S1261 PolarHBondContact O-N 3.32Å; I795-S1261 VanDerWaalsContact O-N 3.13Å; S1261-V1263 PolarHBondContact O-N 3.47Å; S1261-V1263 VanDerWaalsContact O-N 3.13Å; S1261-I1355 VanDerWaalsContact CB-CG2 3.46Å; S1261-I1355 WeakPolarHBondContact OG-CG2 3.5Å; S1261-V1368 WeakPolarHBondContact CB-O 3.45Å; S1261-V1368 PolarHBondContact N-O 3.01Å; S1261-I1369 WeakPolarHBondContact CB-O 2.98Å; S1261-N1370 VanDerWaalsContact CA-OD1 3.27Å; S1261-N1370 WeakPolarHBondContact CA-OD1 2.99Å; S1261-N1370 VanDerWaalsContact CB-OD1 3.25Å; S1261-N1370 WeakPolarHBondContact CB-OD1 3.39Å |
| 1262 | T | 78.5 | Confident | 72.5 | Confident | 24 Ų | 24 | 43.8 Ų | 43.8 | 15% | 0.147 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -49.6 | -15.8 | 176.3 | 40.9 | 0 | 0 | 0 | 0 | 118 | T797 N1370 | T797-T1262 WeakPolarHBondContact CB-O 3.21Å; T797-T1262 HydrophobicContact CG2-CG2 3.8Å; T797-T1262 WeakPolarHBondContact CG2-O 3.13Å; T797-T1262 WeakPolarHBondContact OG1-CA 3.28Å; T797-T1262 PolarHBondContact OG1-O 2.77Å; T1262-N1370 WeakPolarHBondContact CB-OD1 3.38Å; T1262-N1370 WeakPolarHBondContact CG2-OD1 3.47Å; T1262-N1370 PolarHBondContact N-OD1 2.87Å; T1262-N1370 PolarHBondContact OG1-OD1 3Å |
| 1263 | V | 79.6 | Confident | 73.5 | Confident | 21 Ų | 21 | 39.6 Ų | 39.6 | 13% | 0.127 | 20% | 0.196 | C | C | . | . | trans | -129.6 | 152.2 | -150.9 | 170.4 | 0 | 0 | 0 | 0 | 116.6 | N705 L706 S1261 L1265 | N705-V1263 HydrophobicContact CB-CG1 3.73Å; N705-V1263 WeakPolarHBondContact OD1-CG1 2.93Å; L706-V1263 HydrophobicContact CB-CB 4.07Å; L706-V1263 HydrophobicContact CB-CG1 4.43Å; L706-V1263 VanDerWaalsContact CD2-O 3.29Å; L706-V1263 WeakPolarHBondContact CD2-O 3.44Å; S1261-V1263 PolarHBondContact O-N 3.47Å; S1261-V1263 VanDerWaalsContact O-N 3.13Å; V1263-L1265 HydrophobicContact CG1-CD2 3.77Å; V1263-L1265 HydrophobicContact CG1-CG 4.33Å; V1263-L1265 WeakPolarHBondContact O-CD1 2.75Å | ||
| 1264 | R | 77.1 | Confident | 74.1 | Confident | 95 Ų | 95 | 39.7 Ų | 39.7 | 36% | 0.358 | 20% | 0.197 | S | C | . | . | trans | -111.2 | 158.6 | 170 | -156.4 | 178.4 | -56.4 | 115.1 | 7 | 113.2 | V725 E729 | V725-R1264 VanDerWaalsContact CG1-NE 3.28Å; E729-R1264 WeakPolarHBondContact OE1-CD 3.08Å; E729-R1264 WeakPolarHBondContact OE1-CG 2.9Å; E729-R1264 IonicContact OE1-CZ 3.86Å; E729-R1264 IonicContact OE1-NE 2.91Å; E729-R1264 PolarHBondContact OE1-NE 2.76Å; E729-R1264 IonicContact OE2-CZ 3.44Å; E729-R1264 IonicContact OE2-NE 3.62Å; E729-R1264 PolarHBondContact OE2-NE 3.34Å; E729-R1264 IonicContact OE2-NH2 2.89Å; E729-R1264 PolarHBondContact OE2-NH2 3.24Å | ||
| 1265 | L | 82.6 | Confident | 73.9 | Confident | 22 Ų | 22 | 41 Ų | 41 | 12% | 0.115 | 20% | 0.204 | C | C | . | . | -159.3 | 164.4 | -125.6 | -68.6 | 165.5 | 0 | 0 | 0 | 113 | N705 L706 Q708 N1259 V1263 E1269 | N705-L1265 HydrophobicContact CB-CD2 3.95Å; L706-L1265 HydrophobicContact CB-CD1 3.43Å; L706-L1265 VanDerWaalsContact CB-CD1 3.43Å; L706-L1265 HydrophobicContact CB-CD2 3.68Å; L706-L1265 HydrophobicContact CB-CG 3.95Å; L706-L1265 HydrophobicContact CD2-CD1 3.81Å; L706-L1265 HydrophobicContact CG-CD1 3.41Å; L706-L1265 VanDerWaalsContact CG-CD1 3.41Å; L706-L1265 HydrophobicContact CG-CG 4.44Å; L706-L1265 WeakPolarHBondContact O-CD2 3.31Å; Q708-L1265 VanDerWaalsContact CA-CB 3.43Å; Q708-L1265 HydrophobicContact CB-CB 3.52Å; Q708-L1265 HydrophobicContact CG-CB 3.9Å; Q708-L1265 WeakPolarHBondContact CG-O 3.47Å; Q708-L1265 PolarHBondContact NE2-O 3.41Å; N1259-L1265 VanDerWaalsContact ND2-CD1 3.35Å; N1259-L1265 WeakPolarHBondContact ND2-CD1 3.32Å; V1263-L1265 HydrophobicContact CG1-CD2 3.77Å; V1263-L1265 HydrophobicContact CG1-CG 4.33Å; V1263-L1265 WeakPolarHBondContact O-CD1 2.75Å; L1265-E1269 WeakPolarHBondContact CA-OE2 3.43Å; L1265-E1269 WeakPolarHBondContact CB-OE2 3.18Å; L1265-E1269 WeakPolarHBondContact CD2-OE2 3.23Å | |||
| 1266 | S | 80 | Confident | 73.9 | Confident | 50 Ų | 50 | 33.3 Ų | 33.3 | 35% | 0.35 | 18% | 0.175 | S | C | . | . | trans | -120.1 | 174.6 | -174.2 | 72.6 | 0 | 0 | 0 | 0 | 115.3 | F707 Q708 E1269 | F707-S1266 WeakPolarHBondContact CD1-O 3.47Å; F707-S1266 WeakPolarHBondContact CE1-O 3.33Å; F707-S1266 WeakPolarHBondContact CE1-OG 2.78Å; F707-S1266 WeakPolarHBondContact CZ-OG 3.4Å; Q708-S1266 WeakPolarHBondContact CB-O 3.29Å; Q708-S1266 VanDerWaalsContact NE2-CA 3.31Å; S1266-E1269 WeakPolarHBondContact CB-OE1 3.45Å; S1266-E1269 VanDerWaalsContact N-CD 3.28Å; S1266-E1269 PolarHBondContact N-OE1 2.93Å; S1266-E1269 PolarHBondContact N-OE2 3.39Å; S1266-E1269 PolarHBondContact OG-OE1 2.82Å | ||
| 1267 | V | 67.6 | Low | 73.5 | Confident | 66 Ų | 66 | 29 Ų | 29 | 40% | 0.4 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -79.2 | -36.6 | -163.5 | -172.9 | 0 | 0 | 0 | 0 | 114.2 | E1269 K1270 E1271 | V1267-E1269 PolarHBondContact O-N 2.88Å; V1267-K1270 WeakPolarHBondContact O-CA 3.32Å; V1267-K1270 WeakPolarHBondContact O-CB 3.48Å; V1267-K1270 PolarHBondContact O-N 2.95Å; V1267-E1271 HydrophobicContact CG1-CG 4.13Å; V1267-E1271 PolarHBondContact O-N 3.13Å |
| 1268 | F | 70.9 | Confident | 72.2 | Confident | 72 Ų | 72 | 31.8 Ų | 31.8 | 32% | 0.316 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -73.1 | -30.2 | -164.6 | -64.6 | -67.6 | 0 | 0 | 0 | 115.5 | E1271 A1272 K1341 H1342 A1345 | F1268-E1271 WeakPolarHBondContact CD1-OE2 2.43Å; F1268-A1272 VanDerWaalsContact O-CB 3.23Å; F1268-A1272 WeakPolarHBondContact O-CB 3.4Å; F1268-A1272 PolarHBondContact O-N 3.49Å; F1268-K1341 HydrophobicContact CD1-CB 3.99Å; F1268-K1341 HydrophobicContact CD1-CD 4.46Å; F1268-K1341 HydrophobicContact CD2-CB 4.27Å; F1268-K1341 HydrophobicContact CD2-CD 4.33Å; F1268-K1341 HydrophobicContact CE1-CB 4.22Å; F1268-K1341 HydrophobicContact CE1-CD 3.9Å; F1268-K1341 HydrophobicContact CE2-CD 3.76Å; F1268-K1341 HydrophobicContact CG-CB 4.02Å; F1268-K1341 HydrophobicContact CZ-CB 4.49Å; F1268-K1341 HydrophobicContact CZ-CD 3.52Å; F1268-H1342 PolarHBondContact O-CD2 3.28Å; F1268-A1345 VanDerWaalsContact C-CB 3.46Å; F1268-A1345 HydrophobicContact CB-CB 3.47Å; F1268-A1345 VanDerWaalsContact CB-CB 3.47Å |
| 1269 | E | 76.5 | Confident | 70.9 | Confident | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -80.1 | -18.4 | 166.3 | 11.6 | 77.4 | -155.9 | 0 | 0 | 112.6 | F707 L1265 S1266 V1267 L1273 A1345 L1346 L1349 | F707-E1269 VanDerWaalsContact CA-OE2 3.24Å; F707-E1269 WeakPolarHBondContact CA-OE2 3.19Å; F707-E1269 HydrophobicContact CB-CB 3.59Å; F707-E1269 HydrophobicContact CB-CG 3.62Å; F707-E1269 WeakPolarHBondContact CB-OE2 3.36Å; F707-E1269 HydrophobicContact CD1-CB 2.7Å; F707-E1269 HydrophobicContact CD1-CG 2.3Å; F707-E1269 WeakPolarHBondContact CD1-OE1 3.37Å; F707-E1269 WeakPolarHBondContact CD1-OE2 2.8Å; F707-E1269 HydrophobicContact CD2-CB 3.43Å; F707-E1269 VanDerWaalsContact CD2-CB 3.43Å; F707-E1269 HydrophobicContact CD2-CG 2.31Å; F707-E1269 WeakPolarHBondContact CD2-OE1 3.33Å; F707-E1269 WeakPolarHBondContact CD2-OE2 2.82Å; F707-E1269 VanDerWaalsContact CE1-CA 3.45Å; F707-E1269 HydrophobicContact CE1-CB 3.24Å; F707-E1269 HydrophobicContact CE1-CG 2.3Å; F707-E1269 WeakPolarHBondContact CE1-OE1 3.43Å; F707-E1269 WeakPolarHBondContact CE1-OE2 3.4Å; F707-E1269 HydrophobicContact CE2-CB 3.86Å; F707-E1269 HydrophobicContact CE2-CG 2.31Å; F707-E1269 WeakPolarHBondContact CE2-OE1 3.45Å; F707-E1269 WeakPolarHBondContact CE2-OE2 3.48Å; F707-E1269 HydrophobicContact CG-CB 2.81Å; F707-E1269 HydrophobicContact CG-CG 2.31Å; F707-E1269 WeakPolarHBondContact CG-OE2 3.43Å; F707-E1269 HydrophobicContact CZ-CB 3.77Å; F707-E1269 HydrophobicContact CZ-CG 2.3Å; F707-E1269 WeakPolarHBondContact CZ-OE1 3.17Å; L1265-E1269 WeakPolarHBondContact CA-OE2 3.43Å; L1265-E1269 WeakPolarHBondContact CB-OE2 3.18Å; L1265-E1269 WeakPolarHBondContact CD2-OE2 3.23Å; S1266-E1269 WeakPolarHBondContact CB-OE1 3.45Å; S1266-E1269 VanDerWaalsContact N-CD 3.28Å; S1266-E1269 PolarHBondContact N-OE1 2.93Å; S1266-E1269 PolarHBondContact N-OE2 3.39Å; S1266-E1269 PolarHBondContact OG-OE1 2.82Å; V1267-E1269 PolarHBondContact O-N 2.88Å; E1269-L1273 WeakPolarHBondContact O-CA 3.38Å; E1269-L1273 WeakPolarHBondContact O-CB 3.14Å; E1269-L1273 WeakPolarHBondContact O-CG 2.9Å; E1269-L1273 PolarHBondContact O-N 3.47Å; E1269-A1345 HydrophobicContact CB-CB 3.91Å; E1269-A1345 HydrophobicContact CG-CB 3.64Å; E1269-A1345 WeakPolarHBondContact CG-O 3.41Å; E1269-L1346 HydrophobicContact CB-CD2 4.47Å; E1269-L1349 HydrophobicContact CB-CB 4.28Å; E1269-L1349 HydrophobicContact CB-CG 4.28Å; E1269-L1349 HydrophobicContact CG-CB 3.98Å; E1269-L1349 HydrophobicContact CG-CG 4.27Å |
| 1270 | K | 73.4 | Confident | 68.7 | Low | 13 Ų | 13 | 33.2 Ų | 33.2 | 6% | 0.057 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.7 | -56.4 | 169.8 | -142.9 | -162.9 | -142.1 | -160.1 | 0 | 106.9 | Q708 F709 P1253 D1254 V1267 A1272 S1274 | Q708-K1270 HydrophobicContact CB-CB 4.15Å; Q708-K1270 HydrophobicContact CB-CD 3.92Å; Q708-K1270 VanDerWaalsContact CB-CE 3.45Å; Q708-K1270 HydrophobicContact CB-CG 3.73Å; Q708-K1270 HydrophobicContact CG-CD 4.31Å; Q708-K1270 VanDerWaalsContact CG-CE 3.5Å; Q708-K1270 VanDerWaalsContact O-CE 3.3Å; Q708-K1270 WeakPolarHBondContact O-CE 2.82Å; Q708-K1270 VanDerWaalsContact O-CG 3.25Å; Q708-K1270 WeakPolarHBondContact O-CG 3.16Å; Q708-K1270 VanDerWaalsContact OE1-CD 3.29Å; F709-K1270 VanDerWaalsContact C-CE 3.45Å; F709-K1270 VanDerWaalsContact O-CE 3.28Å; F709-K1270 WeakPolarHBondContact O-CE 3.11Å; F709-K1270 PolarHBondContact O-NZ 3.08Å; P1253-K1270 HydrophobicContact CB-CB 3.91Å; P1253-K1270 HydrophobicContact CB-CD 3.71Å; P1253-K1270 HydrophobicContact CB-CG 3.46Å; P1253-K1270 VanDerWaalsContact CB-CG 3.46Å; P1253-K1270 WeakPolarHBondContact CB-O 3.2Å; P1253-K1270 HydrophobicContact CG-CB 3.97Å; P1253-K1270 HydrophobicContact CG-CD 3.8Å; P1253-K1270 HydrophobicContact CG-CG 3.9Å; D1254-K1270 VanDerWaalsContact CG-NZ 3.26Å; D1254-K1270 WeakPolarHBondContact OD1-CD 3.35Å; D1254-K1270 WeakPolarHBondContact OD1-CE 2.59Å; D1254-K1270 IonicContact OD1-NZ 2.73Å; D1254-K1270 PolarHBondContact OD1-NZ 3.19Å; D1254-K1270 IonicContact OD2-NZ 2.77Å; D1254-K1270 PolarHBondContact OD2-NZ 3.48Å; V1267-K1270 WeakPolarHBondContact O-CA 3.32Å; V1267-K1270 WeakPolarHBondContact O-CB 3.48Å; V1267-K1270 PolarHBondContact O-N 2.95Å; K1270-A1272 PolarHBondContact O-N 3.25Å; K1270-S1274 WeakPolarHBondContact O-CB 3.12Å; K1270-S1274 PolarHBondContact O-N 2.97Å; K1270-S1274 PolarHBondContact O-OG 3.36Å |
| 1271 | E | 66.6 | Low | 66.6 | Low | 62 Ų | 62 | 34.9 Ų | 34.9 | 29% | 0.29 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -56.8 | -51.2 | 175.1 | -65.1 | 176.7 | 131.7 | 0 | 0 | 110.6 | P1253 V1267 F1268 L1273 S1274 L1275 H1342 | P1253-E1271 HydrophobicContact CG-CG 3.99Å; V1267-E1271 HydrophobicContact CG1-CG 4.13Å; V1267-E1271 PolarHBondContact O-N 3.13Å; F1268-E1271 WeakPolarHBondContact CD1-OE2 2.43Å; E1271-L1273 PolarHBondContact O-N 3.23Å; E1271-S1274 PolarHBondContact O-N 3.13Å; E1271-S1274 PolarHBondContact O-OG 2.97Å; E1271-L1275 PolarHBondContact O-N 3Å; E1271-H1342 IonicContact OE2-NE2 3.36Å |
| 1272 | A | 68 | Low | 64.1 | Low | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.1 | -32 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | F1268 K1270 H1342 L1346 | F1268-A1272 VanDerWaalsContact O-CB 3.23Å; F1268-A1272 WeakPolarHBondContact O-CB 3.4Å; F1268-A1272 PolarHBondContact O-N 3.49Å; K1270-A1272 PolarHBondContact O-N 3.25Å; A1272-H1342 HydrophobicContact CB-CB 4.22Å; A1272-L1346 HydrophobicContact CB-CD1 3.51Å; A1272-L1346 HydrophobicContact CB-CD2 4.01Å; A1272-L1346 HydrophobicContact CB-CG 3.6Å |
| 1273 | L | 72.1 | Confident | 61.7 | Low | 6 Ų | 6 | 39.2 Ų | 39.2 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.1 | -34.2 | 169.5 | -73.2 | -178.9 | 0 | 0 | 0 | 111.6 | F707 V1257 E1269 E1271 G1276 L1346 L1349 V1366 | F707-L1273 HydrophobicContact CB-CD1 3.72Å; V1257-L1273 HydrophobicContact CG1-CD1 4.02Å; V1257-L1273 HydrophobicContact CG2-CB 3.69Å; V1257-L1273 HydrophobicContact CG2-CD1 4.36Å; E1269-L1273 WeakPolarHBondContact O-CA 3.38Å; E1269-L1273 WeakPolarHBondContact O-CB 3.14Å; E1269-L1273 WeakPolarHBondContact O-CG 2.9Å; E1269-L1273 PolarHBondContact O-N 3.47Å; E1271-L1273 PolarHBondContact O-N 3.23Å; L1273-G1276 WeakPolarHBondContact O-CA 3.28Å; L1273-G1276 PolarHBondContact O-N 3.1Å; L1273-L1346 HydrophobicContact CD2-CD2 4.28Å; L1273-L1349 HydrophobicContact CD1-CD1 4.08Å; L1273-L1349 HydrophobicContact CD2-CD1 3.76Å; L1273-L1349 HydrophobicContact CG-CD1 4.13Å; L1273-V1366 HydrophobicContact CB-CG2 4.34Å; L1273-V1366 HydrophobicContact CD1-CG1 4.42Å; L1273-V1366 HydrophobicContact CD2-CG1 4.26Å; L1273-V1366 HydrophobicContact CD2-CG2 4.35Å |
| 1274 | S | 67.7 | Low | 59.3 | Low | 16 Ų | 16 | 42.2 Ų | 42.2 | 11% | 0.112 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73.1 | -25.9 | -175.7 | 73.5 | 0 | 0 | 0 | 0 | 115.1 | K1270 E1271 G1276 | K1270-S1274 WeakPolarHBondContact O-CB 3.12Å; K1270-S1274 PolarHBondContact O-N 2.97Å; K1270-S1274 PolarHBondContact O-OG 3.36Å; E1271-S1274 PolarHBondContact O-N 3.13Å; E1271-S1274 PolarHBondContact O-OG 2.97Å; S1274-G1276 PolarHBondContact O-N 3.37Å |
| 1275 | L | 61.1 | Low | 57 | Low | 48 Ų | 48 | 41 Ų | 41 | 25% | 0.251 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -9 | 163.4 | -61.4 | 169.6 | 0 | 0 | 0 | 111.8 | E1271 F1279 L1338 | E1271-L1275 PolarHBondContact O-N 3Å; L1275-F1279 HydrophobicContact CB-CB 3.57Å; L1275-F1279 HydrophobicContact CB-CD2 3.94Å; L1275-F1279 HydrophobicContact CB-CG 3.95Å; L1275-F1279 HydrophobicContact CD1-CB 3.88Å; L1275-F1279 HydrophobicContact CD1-CG 4.38Å; L1275-F1279 HydrophobicContact CG-CB 4.34Å; L1275-F1279 WeakPolarHBondContact O-CD2 3.11Å; L1275-L1338 HydrophobicContact CD1-CD2 3.56Å |
| 1276 | G | 61.1 | Low | 54.3 | Low | 17 Ų | 17 | 42.6 Ų | 42.6 | 18% | 0.175 | 24% | 0.237 | C | C | . | . | trans | 77.5 | 165.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1273 S1274 N1278 F1279 | L1273-G1276 WeakPolarHBondContact O-CA 3.28Å; L1273-G1276 PolarHBondContact O-N 3.1Å; S1274-G1276 PolarHBondContact O-N 3.37Å; G1276-N1278 PolarHBondContact O-N 3.21Å; G1276-F1279 PolarHBondContact O-N 3Å | ||
| 1277 | F | 57.8 | Low | 52 | Low | 10 Ų | 10 | 42.3 Ų | 42.3 | 4% | 0.044 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | -24.3 | 178.1 | -78.4 | -84.1 | 0 | 0 | 0 | 115.2 | K696 F1279 S1280 H1283 I1357 R1359 V1366 | K696-F1277 HydrophobicContact CB-CB 4.01Å; K696-F1277 HydrophobicContact CB-CD1 3.83Å; K696-F1277 HydrophobicContact CB-CG 4.23Å; K696-F1277 HydrophobicContact CD-CB 4.09Å; K696-F1277 WeakPolarHBondContact CD-O 3.04Å; K696-F1277 VanDerWaalsContact CE-O 3.27Å; K696-F1277 WeakPolarHBondContact CE-O 3.47Å; K696-F1277 PolarHBondContact NZ-O 2.67Å; K696-F1277 WeakPolarHBondContact O-CD1 3.23Å; K696-F1277 WeakPolarHBondContact O-CE1 3.36Å; F1277-F1279 PolarHBondContact O-N 3.4Å; F1277-S1280 PolarHBondContact O-OG 3.14Å; F1277-H1283 AromaticContact CD1-NE2 3.58Å; F1277-H1283 AromaticContact CE1-NE2 3.96Å; F1277-I1357 HydrophobicContact CZ-CG2 4.05Å; F1277-R1359 HydrophobicContact CD2-CG 4.33Å; F1277-R1359 VanDerWaalsContact CD2-NE 3.3Å; F1277-R1359 HydrophobicContact CE2-CG 3.61Å; F1277-R1359 VanDerWaalsContact CE2-NE 3.32Å; F1277-R1359 HydrophobicContact CZ-CG 4.11Å; F1277-V1366 HydrophobicContact CD2-CG2 4.11Å; F1277-V1366 HydrophobicContact CE2-CB 4.38Å; F1277-V1366 HydrophobicContact CE2-CG1 4.16Å; F1277-V1366 HydrophobicContact CE2-CG2 3.84Å; F1277-V1366 HydrophobicContact CZ-CG1 4.21Å |
| 1278 | N | 47.7 | Very low | 50.2 | Low | 58 Ų | 58 | 41.9 Ų | 41.9 | 31% | 0.31 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -40.8 | 178.7 | -63.9 | -61.2 | 0 | 0 | 0 | 114.7 | Q692 G1276 | Q692-N1278 WeakPolarHBondContact CB-ND2 3.33Å; Q692-N1278 WeakPolarHBondContact CB-OD1 3.31Å; Q692-N1278 WeakPolarHBondContact CG-OD1 3.27Å; Q692-N1278 PolarHBondContact NE2-ND2 2.8Å; Q692-N1278 PolarHBondContact NE2-OD1 2.83Å; Q692-N1278 PolarHBondContact OE1-ND2 2.94Å; G1276-N1278 PolarHBondContact O-N 3.21Å |
| 1279 | F | 48.9 | Very low | 48.4 | Very low | 100 Ų | 100 | 45.7 Ų | 45.7 | 44% | 0.439 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -10.7 | -174.2 | -69 | -91.7 | 0 | 0 | 0 | 112.4 | L1275 G1276 F1277 V1281 L1338 | L1275-F1279 HydrophobicContact CB-CB 3.57Å; L1275-F1279 HydrophobicContact CB-CD2 3.94Å; L1275-F1279 HydrophobicContact CB-CG 3.95Å; L1275-F1279 HydrophobicContact CD1-CB 3.88Å; L1275-F1279 HydrophobicContact CD1-CG 4.38Å; L1275-F1279 HydrophobicContact CG-CB 4.34Å; L1275-F1279 WeakPolarHBondContact O-CD2 3.11Å; G1276-F1279 PolarHBondContact O-N 3Å; F1277-F1279 PolarHBondContact O-N 3.4Å; F1279-V1281 PolarHBondContact O-N 3.2Å; F1279-L1338 WeakPolarHBondContact O-CD1 3Å |
| 1280 | S | 40 | Very low | 46.5 | Very low | 9 Ų | 9 | 46.7 Ų | 46.7 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -53.5 | 143.4 | 164.5 | 72.9 | 0 | 0 | 0 | 0 | 109.4 | K696 F1277 A1282 H1283 L1346 | K696-S1280 PolarHBondContact NZ-O 3.49Å; K696-S1280 PolarHBondContact NZ-OG 2.89Å; F1277-S1280 PolarHBondContact O-OG 3.14Å; S1280-A1282 PolarHBondContact O-N 3.33Å; S1280-H1283 PolarHBondContact OG-NE2 3.2Å; S1280-L1346 VanDerWaalsContact CA-CD1 3.46Å |
| 1281 | V | 39.3 | Very low | 44.7 | Very low | 36 Ų | 36 | 49.5 Ų | 49.5 | 22% | 0.218 | 28% | 0.276 | C | S | . | . | trans | -38.8 | 130.1 | 165.1 | -172.3 | 0 | 0 | 0 | 0 | 107.4 | K696 F1279 H1283 F1343 L1346 | K696-V1281 PolarHBondContact NZ-O 2.79Å; F1279-V1281 PolarHBondContact O-N 3.2Å; V1281-H1283 PolarHBondContact O-N 2.74Å; V1281-F1343 HydrophobicContact CB-CD1 4.27Å; V1281-F1343 HydrophobicContact CB-CE1 4.34Å; V1281-F1343 HydrophobicContact CG1-CD1 3.94Å; V1281-F1343 HydrophobicContact CG1-CE1 3.88Å; V1281-F1343 HydrophobicContact CG2-CB 4.19Å; V1281-F1343 HydrophobicContact CG2-CD1 3.3Å; V1281-F1343 HydrophobicContact CG2-CD2 4.31Å; V1281-F1343 HydrophobicContact CG2-CE1 3.67Å; V1281-F1343 HydrophobicContact CG2-CG 3.66Å; V1281-F1343 HydrophobicContact CG2-CZ 4.31Å; V1281-L1346 HydrophobicContact CG2-CB 4.11Å; V1281-L1346 HydrophobicContact CG2-CD1 3.9Å | ||
| 1282 | A | 30.3 | Very low | 43.3 | Very low | 69 Ų | 69 | 50.4 Ų | 50.4 | 57% | 0.57 | 28% | 0.283 | S | S | * | . | trans | -51.3 | 123.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | S1280 T1284 | S1280-A1282 PolarHBondContact O-N 3.33Å; A1282-T1284 PolarHBondContact O-N 2.9Å | ||
| 1283 | H | 28.3 | Very low | 42.1 | Very low | 47 Ų | 47 | 52.9 Ų | 52.9 | 22% | 0.218 | 30% | 0.303 | C | S | . | . | trans | -64.1 | 90.6 | -168.7 | -73 | -105 | 0 | 0 | 0 | 108.9 | F1277 S1280 V1281 K1285 I1286 | F1277-H1283 AromaticContact CD1-NE2 3.58Å; F1277-H1283 AromaticContact CE1-NE2 3.96Å; S1280-H1283 PolarHBondContact OG-NE2 3.2Å; V1281-H1283 PolarHBondContact O-N 2.74Å; H1283-K1285 CarbonylContact O-C 3.49Å; H1283-K1285 PolarHBondContact O-N 3.43Å; H1283-K1285 VanDerWaalsContact O-N 3.16Å; H1283-I1286 PolarHBondContact O-N 2.82Å | ||
| 1284 | T | 29.3 | Very low | 40.6 | Very low | 84 Ų | 84 | 55 Ų | 55 | 52% | 0.515 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -66.9 | -8.3 | 174.7 | 34.7 | 0 | 0 | 0 | 0 | 111.7 | A1282 Q1350 | A1282-T1284 PolarHBondContact O-N 2.9Å; T1284-Q1350 PolarHBondContact OG1-OE1 3.3Å |
| 1285 | K | 28.5 | Very low | 39.6 | Very low | 70 Ų | 70 | 56.7 Ų | 56.7 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | trans | -122 | 87.9 | 157.4 | -58.1 | -156.7 | 177.9 | -161.5 | 0 | 109.2 | H1283 D1288 Q1350 | H1283-K1285 CarbonylContact O-C 3.49Å; H1283-K1285 PolarHBondContact O-N 3.43Å; H1283-K1285 VanDerWaalsContact O-N 3.16Å; K1285-D1288 WeakPolarHBondContact CD-OD1 3.47Å; K1285-D1288 WeakPolarHBondContact CE-OD1 3.35Å; K1285-D1288 VanDerWaalsContact CE-OD2 3.26Å; K1285-D1288 WeakPolarHBondContact CE-OD2 3.48Å; K1285-D1288 WeakPolarHBondContact CG-OD1 3.46Å; K1285-D1288 IonicContact NZ-OD1 3.92Å; K1285-D1288 IonicContact NZ-OD2 2.65Å; K1285-D1288 PolarHBondContact NZ-OD2 3.34Å; K1285-Q1350 HydrophobicContact CB-CG 4.43Å; K1285-Q1350 PolarHBondContact O-NE2 2.79Å | ||
| 1286 | I | 25.7 | Very low | 39.1 | Very low | 56 Ų | 56 | 58 Ų | 58 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | S | Bend | -63.2 | 105.5 | 108.2 | -66.1 | -172.1 | 0 | 0 | 0 | 102.9 | L698 H1283 D1288 I1291 | L698-I1286 HydrophobicContact CB-CG1 4.2Å; L698-I1286 HydrophobicContact CD1-CB 4.18Å; L698-I1286 HydrophobicContact CD1-CD1 3.62Å; L698-I1286 HydrophobicContact CD1-CG1 3.55Å; L698-I1286 HydrophobicContact CD1-CG2 3.88Å; L698-I1286 HydrophobicContact CG-CG1 4.49Å; H1283-I1286 PolarHBondContact O-N 2.82Å; I1286-D1288 PolarHBondContact O-N 2.86Å; I1286-I1291 HydrophobicContact CB-CD1 4.18Å; I1286-I1291 HydrophobicContact CG2-CG1 4.37Å | |
| 1287 | S | 32.1 | Very low | 38.5 | Very low | 43 Ų | 43 | 59.7 Ų | 59.7 | 30% | 0.301 | 33% | 0.332 | S | S | . | . | trans | -41 | 106.4 | -171 | 54.1 | 0 | 0 | 0 | 0 | 111.6 | L1289 S1290 | S1287-L1289 VanDerWaalsContact C-N 3.26Å; S1287-L1289 CarbonylContact O-C 3.5Å; S1287-L1289 WeakPolarHBondContact O-CA 2.97Å; S1287-L1289 PolarHBondContact O-N 3.37Å; S1287-S1290 PolarHBondContact O-N 2.98Å | ||
| 1288 | D | 29.4 | Very low | 37.8 | Very low | 58 Ų | 58 | 62.5 Ų | 62.5 | 31% | 0.31 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | 16.1 | -76.3 | 163.2 | -50 | -8.2 | 0 | 0 | 0 | 112.6 | K1285 I1286 S1290 I1291 D1292 | K1285-D1288 WeakPolarHBondContact CD-OD1 3.47Å; K1285-D1288 WeakPolarHBondContact CE-OD1 3.35Å; K1285-D1288 VanDerWaalsContact CE-OD2 3.26Å; K1285-D1288 WeakPolarHBondContact CE-OD2 3.48Å; K1285-D1288 WeakPolarHBondContact CG-OD1 3.46Å; K1285-D1288 IonicContact NZ-OD1 3.92Å; K1285-D1288 IonicContact NZ-OD2 2.65Å; K1285-D1288 PolarHBondContact NZ-OD2 3.34Å; I1286-D1288 PolarHBondContact O-N 2.86Å; D1288-S1290 PolarHBondContact O-N 2.93Å; D1288-I1291 PolarHBondContact O-N 3.24Å; D1288-D1292 WeakPolarHBondContact CA-OD2 2.85Å; D1288-D1292 WeakPolarHBondContact CB-OD2 3.29Å; D1288-D1292 WeakPolarHBondContact O-CB 3.3Å; D1288-D1292 PolarHBondContact O-N 2.99Å |
| 1289 | L | 33.2 | Very low | 38.1 | Very low | 152 Ų | 152 | 61.1 Ų | 61.1 | 80% | 0.796 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -32.2 | -0.2 | 162.4 | -73.7 | 165.8 | 0 | 0 | 0 | 120.7 | S1287 A1293 | S1287-L1289 VanDerWaalsContact C-N 3.26Å; S1287-L1289 CarbonylContact O-C 3.5Å; S1287-L1289 WeakPolarHBondContact O-CA 2.97Å; S1287-L1289 PolarHBondContact O-N 3.37Å; L1289-A1293 WeakPolarHBondContact O-CB 3.11Å |
| 1290 | S | 36.1 | Very low | 38.6 | Very low | 26 Ų | 26 | 60.8 Ų | 60.8 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -128.2 | -15.8 | 168.4 | 172.8 | 0 | 0 | 0 | 0 | 114.6 | S1287 D1288 Q1294 | S1287-S1290 PolarHBondContact O-N 2.98Å; D1288-S1290 PolarHBondContact O-N 2.93Å; S1290-Q1294 VanDerWaalsContact O-CG 3.24Å; S1290-Q1294 WeakPolarHBondContact O-CG 3.19Å; S1290-Q1294 PolarHBondContact O-NE2 3.13Å |
| 1291 | I | 34.5 | Very low | 39 | Very low | 73 Ų | 73 | 64.2 Ų | 64.2 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -40.8 | 166.8 | -73.5 | 178.8 | 0 | 0 | 0 | 108.9 | I1286 D1288 Q1294 F1295 | I1286-I1291 HydrophobicContact CB-CD1 4.18Å; I1286-I1291 HydrophobicContact CG2-CG1 4.37Å; D1288-I1291 PolarHBondContact O-N 3.24Å; I1291-Q1294 CarbonylContact O-C 3.38Å; I1291-Q1294 WeakPolarHBondContact O-CA 3.22Å; I1291-Q1294 WeakPolarHBondContact O-CB 3.35Å; I1291-Q1294 PolarHBondContact O-N 3.42Å; I1291-F1295 HydrophobicContact CG2-CD2 3.71Å; I1291-F1295 HydrophobicContact CG2-CE2 3.9Å; I1291-F1295 PolarHBondContact O-N 3.21Å |
| 1292 | D | 38.8 | Very low | 39.4 | Very low | 81 Ų | 81 | 65.3 Ų | 65.3 | 43% | 0.433 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.6 | -37.1 | 170.1 | -54.4 | -36.8 | 0 | 0 | 0 | 110.9 | D1288 Q1294 F1295 E1296 | D1288-D1292 WeakPolarHBondContact CA-OD2 2.85Å; D1288-D1292 WeakPolarHBondContact CB-OD2 3.29Å; D1288-D1292 WeakPolarHBondContact O-CB 3.3Å; D1288-D1292 PolarHBondContact O-N 2.99Å; D1292-Q1294 PolarHBondContact O-N 3.48Å; D1292-F1295 PolarHBondContact O-N 2.99Å; D1292-E1296 WeakPolarHBondContact O-CA 3.38Å; D1292-E1296 WeakPolarHBondContact O-CB 3.08Å; D1292-E1296 VanDerWaalsContact O-CG 3.25Å; D1292-E1296 WeakPolarHBondContact O-CG 2.92Å; D1292-E1296 PolarHBondContact O-N 2.95Å |
| 1293 | A | 41.2 | Very low | 40.3 | Very low | 52 Ų | 52 | 63.6 Ų | 63.6 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.1 | -17.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1289 S1297 | L1289-A1293 WeakPolarHBondContact O-CB 3.11Å; A1293-S1297 WeakPolarHBondContact O-CB 3.44Å; A1293-S1297 PolarHBondContact O-N 3.49Å; A1293-S1297 VanDerWaalsContact O-N 3.15Å |
| 1294 | Q | 41.7 | Very low | 41.2 | Very low | 49 Ų | 49 | 66.3 Ų | 66.3 | 23% | 0.229 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -90 | -28.7 | 171.7 | -76.7 | 172.6 | 27.7 | 0 | 0 | 112.5 | S1290 I1291 D1292 L1298 | S1290-Q1294 VanDerWaalsContact O-CG 3.24Å; S1290-Q1294 WeakPolarHBondContact O-CG 3.19Å; S1290-Q1294 PolarHBondContact O-NE2 3.13Å; I1291-Q1294 CarbonylContact O-C 3.38Å; I1291-Q1294 WeakPolarHBondContact O-CA 3.22Å; I1291-Q1294 WeakPolarHBondContact O-CB 3.35Å; I1291-Q1294 PolarHBondContact O-N 3.42Å; D1292-Q1294 PolarHBondContact O-N 3.48Å; Q1294-L1298 WeakPolarHBondContact O-CB 3.33Å; Q1294-L1298 PolarHBondContact O-N 2.81Å |
| 1295 | F | 47.2 | Very low | 42.3 | Very low | 53 Ų | 53 | 68.7 Ų | 68.7 | 23% | 0.232 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -82.5 | -34.7 | 174 | -89.3 | -62.7 | 0 | 0 | 0 | 112.3 | I1291 D1292 Y1299 L1320 A1324 | I1291-F1295 HydrophobicContact CG2-CD2 3.71Å; I1291-F1295 HydrophobicContact CG2-CE2 3.9Å; I1291-F1295 PolarHBondContact O-N 3.21Å; D1292-F1295 PolarHBondContact O-N 2.99Å; F1295-Y1299 WeakPolarHBondContact O-CA 3.09Å; F1295-Y1299 WeakPolarHBondContact O-CB 3.48Å; F1295-Y1299 PolarHBondContact O-N 2.48Å; F1295-L1320 HydrophobicContact CD1-CB 3.69Å; F1295-L1320 HydrophobicContact CD1-CD1 4.31Å; F1295-L1320 HydrophobicContact CD1-CD2 3.93Å; F1295-L1320 HydrophobicContact CD1-CG 4.17Å; F1295-L1320 HydrophobicContact CE1-CB 3.86Å; F1295-L1320 HydrophobicContact CE1-CD2 3.87Å; F1295-L1320 HydrophobicContact CE1-CG 4.4Å; F1295-A1324 HydrophobicContact CE2-CB 3.89Å; F1295-A1324 HydrophobicContact CZ-CB 4Å |
| 1296 | E | 50.6 | Low | 42.9 | Very low | 74 Ų | 74 | 66.7 Ų | 66.7 | 35% | 0.346 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.6 | -43.5 | 166.2 | -64.4 | -71.8 | -157.9 | 0 | 0 | 109.9 | D1292 L1298 Y1299 D1300 K1317 | D1292-E1296 WeakPolarHBondContact O-CA 3.38Å; D1292-E1296 WeakPolarHBondContact O-CB 3.08Å; D1292-E1296 VanDerWaalsContact O-CG 3.25Å; D1292-E1296 WeakPolarHBondContact O-CG 2.92Å; D1292-E1296 PolarHBondContact O-N 2.95Å; E1296-L1298 VanDerWaalsContact C-N 3.35Å; E1296-L1298 PolarHBondContact O-N 3.15Å; E1296-Y1299 CarbonylContact O-C 3.51Å; E1296-Y1299 WeakPolarHBondContact O-CB 3.05Å; E1296-Y1299 PolarHBondContact O-N 2.81Å; E1296-Y1299 WeakPolarHBondContact OE2-CD1 3.03Å; E1296-D1300 WeakPolarHBondContact O-CB 3.11Å; E1296-D1300 PolarHBondContact O-N 3.34Å; E1296-K1317 WeakPolarHBondContact OE1-CE 3.31Å; E1296-K1317 IonicContact OE1-NZ 3.48Å; E1296-K1317 PolarHBondContact OE1-NZ 2.77Å; E1296-K1317 IonicContact OE2-NZ 2.65Å; E1296-K1317 PolarHBondContact OE2-NZ 3.11Å |
| 1297 | S | 47 | Very low | 43.7 | Very low | 53 Ų | 53 | 68.3 Ų | 68.3 | 37% | 0.371 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.8 | -32.1 | 173.8 | -172.5 | 0 | 0 | 0 | 0 | 113.4 | A1293 Q1301 | A1293-S1297 WeakPolarHBondContact O-CB 3.44Å; A1293-S1297 PolarHBondContact O-N 3.49Å; A1293-S1297 VanDerWaalsContact O-N 3.15Å; S1297-Q1301 WeakPolarHBondContact O-CB 3.31Å; S1297-Q1301 WeakPolarHBondContact O-CG 3.33Å; S1297-Q1301 PolarHBondContact O-N 3.09Å; S1297-Q1301 PolarHBondContact O-NE2 2.68Å; S1297-Q1301 PolarHBondContact OG-NE2 3.3Å; S1297-Q1301 VanDerWaalsContact OG-NE2 3.09Å |
| 1298 | L | 44.4 | Very low | 44.3 | Very low | 70 Ų | 70 | 72.2 Ų | 72.2 | 37% | 0.366 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -73.9 | -35.3 | 172.3 | -166.8 | 79.6 | 0 | 0 | 0 | 111.2 | Q1294 E1296 Q1301 L1302 L1320 | Q1294-L1298 WeakPolarHBondContact O-CB 3.33Å; Q1294-L1298 PolarHBondContact O-N 2.81Å; E1296-L1298 VanDerWaalsContact C-N 3.35Å; E1296-L1298 PolarHBondContact O-N 3.15Å; L1298-Q1301 PolarHBondContact O-N 3.42Å; L1298-L1302 HydrophobicContact CD2-CD1 4.3Å; L1298-L1302 HydrophobicContact CG-CD1 3.93Å; L1298-L1302 WeakPolarHBondContact O-CB 3.13Å; L1298-L1302 WeakPolarHBondContact O-CG 3.39Å; L1298-L1302 PolarHBondContact O-N 3.48Å; L1298-L1320 HydrophobicContact CD2-CD2 3.82Å |
| 1299 | Y | 53.9 | Low | 45.3 | Very low | 29 Ų | 29 | 73.2 Ų | 73.2 | 11% | 0.114 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.7 | -55.1 | 169.3 | 172.1 | -102 | 0 | 0 | 0 | 109 | F1295 E1296 Q1301 L1302 N1303 K1313 L1316 K1317 | F1295-Y1299 WeakPolarHBondContact O-CA 3.09Å; F1295-Y1299 WeakPolarHBondContact O-CB 3.48Å; F1295-Y1299 PolarHBondContact O-N 2.48Å; E1296-Y1299 CarbonylContact O-C 3.51Å; E1296-Y1299 WeakPolarHBondContact O-CB 3.05Å; E1296-Y1299 PolarHBondContact O-N 2.81Å; E1296-Y1299 WeakPolarHBondContact OE2-CD1 3.03Å; Y1299-Q1301 PolarHBondContact O-N 3.22Å; Y1299-Q1301 VanDerWaalsContact O-N 3.11Å; Y1299-L1302 CarbonylContact O-C 3.57Å; Y1299-L1302 WeakPolarHBondContact O-CA 3.06Å; Y1299-L1302 PolarHBondContact O-N 2.7Å; Y1299-N1303 HydrophobicContact CD1-CB 4.49Å; Y1299-N1303 WeakPolarHBondContact O-CA 3.44Å; Y1299-N1303 WeakPolarHBondContact O-CB 3.21Å; Y1299-N1303 PolarHBondContact O-N 3.45Å; Y1299-K1313 HydrophobicContact CE2-CB 4.28Å; Y1299-L1316 HydrophobicContact CD2-CD2 3.75Å; Y1299-L1316 HydrophobicContact CD2-CG 4.14Å; Y1299-L1316 HydrophobicContact CE2-CD2 4.25Å; Y1299-K1317 HydrophobicContact CD2-CB 4.21Å; Y1299-K1317 HydrophobicContact CD2-CD 4.28Å; Y1299-K1317 HydrophobicContact CD2-CG 4.49Å; Y1299-K1317 HydrophobicContact CE1-CD 4.46Å; Y1299-K1317 HydrophobicContact CE2-CB 3.99Å; Y1299-K1317 HydrophobicContact CE2-CD 3.95Å; Y1299-K1317 HydrophobicContact CE2-CG 4.43Å |
| 1300 | D | 59.2 | Low | 46 | Very low | 92 Ų | 92 | 71.6 Ų | 71.6 | 49% | 0.492 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.1 | -22.3 | 175.4 | -66.7 | -25.8 | 0 | 0 | 0 | 114.5 | E1296 P1304 | E1296-D1300 WeakPolarHBondContact O-CB 3.11Å; E1296-D1300 PolarHBondContact O-N 3.34Å; D1300-P1304 WeakPolarHBondContact O-CD 3.37Å; D1300-P1304 WeakPolarHBondContact O-CG 3.25Å |
| 1301 | Q | 47.6 | Very low | 46.5 | Very low | 82 Ų | 82 | 76.3 Ų | 76.3 | 38% | 0.383 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -83.7 | -24.8 | 170.7 | -76 | 167.3 | 58.3 | 0 | 0 | 113.4 | S1297 L1298 Y1299 | S1297-Q1301 WeakPolarHBondContact O-CB 3.31Å; S1297-Q1301 WeakPolarHBondContact O-CG 3.33Å; S1297-Q1301 PolarHBondContact O-N 3.09Å; S1297-Q1301 PolarHBondContact O-NE2 2.68Å; S1297-Q1301 PolarHBondContact OG-NE2 3.3Å; S1297-Q1301 VanDerWaalsContact OG-NE2 3.09Å; L1298-Q1301 PolarHBondContact O-N 3.42Å; Y1299-Q1301 PolarHBondContact O-N 3.22Å; Y1299-Q1301 VanDerWaalsContact O-N 3.11Å |
| 1302 | L | 47.8 | Very low | 47 | Very low | 58 Ų | 58 | 78.2 Ų | 78.2 | 30% | 0.304 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -103 | -22.1 | -179.3 | -67.8 | 171.6 | 0 | 0 | 0 | 113.3 | L1298 Y1299 L1305 V1306 L1316 | L1298-L1302 HydrophobicContact CD2-CD1 4.3Å; L1298-L1302 HydrophobicContact CG-CD1 3.93Å; L1298-L1302 WeakPolarHBondContact O-CB 3.13Å; L1298-L1302 WeakPolarHBondContact O-CG 3.39Å; L1298-L1302 PolarHBondContact O-N 3.48Å; Y1299-L1302 CarbonylContact O-C 3.57Å; Y1299-L1302 WeakPolarHBondContact O-CA 3.06Å; Y1299-L1302 PolarHBondContact O-N 2.7Å; L1302-L1305 HydrophobicContact CD2-CD1 4.38Å; L1302-L1305 CarbonylContact O-C 3.53Å; L1302-L1305 WeakPolarHBondContact O-CA 3.35Å; L1302-L1305 WeakPolarHBondContact O-CB 3.23Å; L1302-L1305 PolarHBondContact O-N 2.93Å; L1302-V1306 WeakPolarHBondContact O-CG2 3.14Å; L1302-V1306 PolarHBondContact O-N 3.32Å; L1302-L1316 HydrophobicContact CB-CD1 4.23Å; L1302-L1316 HydrophobicContact CB-CD2 3.71Å; L1302-L1316 HydrophobicContact CD1-CD1 4.05Å |
| 1303 | N | 50.1 | Low | 47.5 | Very low | 33 Ų | 33 | 76.7 Ų | 76.7 | 18% | 0.176 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -31 | 178 | 177.5 | 15.1 | 0 | 0 | 0 | 112.5 | Y1299 K1313 | Y1299-N1303 HydrophobicContact CD1-CB 4.49Å; Y1299-N1303 WeakPolarHBondContact O-CA 3.44Å; Y1299-N1303 WeakPolarHBondContact O-CB 3.21Å; Y1299-N1303 PolarHBondContact O-N 3.45Å; N1303-K1313 VanDerWaalsContact OD1-CD 3.31Å; N1303-K1313 WeakPolarHBondContact OD1-CD 3.48Å; N1303-K1313 WeakPolarHBondContact OD1-CE 3.41Å; N1303-K1313 PolarHBondContact OD1-NZ 3.24Å |
| 1304 | P | 47.6 | Very low | 47.9 | Very low | 105 Ų | 105 | 77.4 Ų | 77.4 | 68% | 0.682 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -20.9 | 166.1 | -14.9 | 31.2 | 0 | 0 | 0 | 113.7 | D1300 | D1300-P1304 WeakPolarHBondContact O-CD 3.37Å; D1300-P1304 WeakPolarHBondContact O-CG 3.25Å |
| 1305 | L | 51.7 | Low | 48.6 | Very low | 133 Ų | 133 | 82.3 Ų | 82.3 | 70% | 0.696 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -5.2 | -178.6 | -61.9 | 174.7 | 0 | 0 | 0 | 112.9 | L1302 | L1302-L1305 HydrophobicContact CD2-CD1 4.38Å; L1302-L1305 CarbonylContact O-C 3.53Å; L1302-L1305 WeakPolarHBondContact O-CA 3.35Å; L1302-L1305 WeakPolarHBondContact O-CB 3.23Å; L1302-L1305 PolarHBondContact O-N 2.93Å |
| 1306 | V | 41.3 | Very low | 48.6 | Very low | 28 Ų | 28 | 80.5 Ų | 80.5 | 17% | 0.17 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -111.3 | 119.8 | 177 | 170.5 | 0 | 0 | 0 | 0 | 108.5 | L1302 K1312 L1316 | L1302-V1306 WeakPolarHBondContact O-CG2 3.14Å; L1302-V1306 PolarHBondContact O-N 3.32Å; V1306-K1312 HydrophobicContact CG1-CB 3.7Å; V1306-L1316 HydrophobicContact CG2-CD2 4.2Å |
| 1307 | P | 42.4 | Very low | 48.6 | Very low | 91 Ų | 91 | 80.4 Ų | 80.4 | 59% | 0.591 | 42% | 0.424 | S | S | * | . | trans | -52.1 | 149.1 | -178.6 | -31.5 | 37.1 | 0 | 0 | 0 | 114.4 | T1309 | P1307-T1309 VanDerWaalsContact C-N 3.27Å; P1307-T1309 PolarHBondContact O-N 3.34Å | ||
| 1308 | T | 45.6 | Very low | 48.9 | Very low | 125 Ų | 125 | 81.8 Ų | 81.8 | 77% | 0.767 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -62.9 | -9 | -148.1 | 42.2 | 0 | 0 | 0 | 0 | 118.4 | L1310 | T1308-L1310 PolarHBondContact O-N 3.49Š|
| 1309 | T | 49.4 | Very low | 49.1 | Very low | 79 Ų | 79 | 82.7 Ų | 82.7 | 49% | 0.485 | 43% | 0.431 | S | S | . | . | trans | -64.9 | 132.6 | -175.3 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | P1307 D1311 K1312 K1313 | P1307-T1309 VanDerWaalsContact C-N 3.27Å; P1307-T1309 PolarHBondContact O-N 3.34Å; T1309-D1311 PolarHBondContact O-N 2.85Å; T1309-D1311 VanDerWaalsContact O-N 3.15Å; T1309-K1312 PolarHBondContact O-N 3.31Å; T1309-K1312 WeakPolarHBondContact OG1-CD 3.41Å; T1309-K1312 WeakPolarHBondContact OG1-CG 3.45Å; T1309-K1313 PolarHBondContact O-N 3.08Å | ||
| 1310 | L | 48.9 | Very low | 48.7 | Very low | 118 Ų | 118 | 82.3 Ų | 82.3 | 62% | 0.618 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -56 | -35.1 | -177.3 | -174.2 | 62.2 | 0 | 0 | 0 | 112.1 | T1308 K1312 K1313 N1314 | T1308-L1310 PolarHBondContact O-N 3.49Å; L1310-K1312 PolarHBondContact O-N 2.89Å; L1310-K1313 CarbonylContact O-C 3.58Å; L1310-K1313 WeakPolarHBondContact O-CB 3.28Å; L1310-K1313 PolarHBondContact O-N 3.08Å; L1310-N1314 WeakPolarHBondContact O-CB 3.3Å; L1310-N1314 VanDerWaalsContact O-CG 3.28Å; L1310-N1314 PolarHBondContact O-N 3.06Å; L1310-N1314 PolarHBondContact O-ND2 3.12Å |
| 1311 | D | 46.2 | Very low | 48.2 | Very low | 124 Ų | 124 | 81.5 Ų | 81.5 | 66% | 0.663 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -71.3 | -25.3 | 176.5 | -72.5 | -38.4 | 0 | 0 | 0 | 114.8 | T1309 W1315 | T1309-D1311 PolarHBondContact O-N 2.85Å; T1309-D1311 VanDerWaalsContact O-N 3.15Å; D1311-W1315 WeakPolarHBondContact O-CB 3.43Å; D1311-W1315 PolarHBondContact O-N 3.5Å |
| 1312 | K | 45.6 | Very low | 47.8 | Very low | 114 Ų | 114 | 80.4 Ų | 80.4 | 50% | 0.496 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -76.8 | -30.9 | 170.3 | -73.7 | -178.5 | -178.6 | 172.6 | 0 | 111.4 | V1306 T1309 L1310 L1316 | V1306-K1312 HydrophobicContact CG1-CB 3.7Å; T1309-K1312 PolarHBondContact O-N 3.31Å; T1309-K1312 WeakPolarHBondContact OG1-CD 3.41Å; T1309-K1312 WeakPolarHBondContact OG1-CG 3.45Å; L1310-K1312 PolarHBondContact O-N 2.89Å; K1312-L1316 WeakPolarHBondContact O-CB 3.19Å; K1312-L1316 PolarHBondContact O-N 3.19Å |
| 1313 | K | 48.1 | Very low | 47.4 | Very low | 48 Ų | 48 | 81.2 Ų | 81.2 | 21% | 0.209 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67.6 | -45.5 | 168.8 | -58.3 | -171.4 | -177.8 | -148.6 | 0 | 111.4 | Y1299 N1303 T1309 L1310 L1316 K1317 | Y1299-K1313 HydrophobicContact CE2-CB 4.28Å; N1303-K1313 VanDerWaalsContact OD1-CD 3.31Å; N1303-K1313 WeakPolarHBondContact OD1-CD 3.48Å; N1303-K1313 WeakPolarHBondContact OD1-CE 3.41Å; N1303-K1313 PolarHBondContact OD1-NZ 3.24Å; T1309-K1313 PolarHBondContact O-N 3.08Å; L1310-K1313 CarbonylContact O-C 3.58Å; L1310-K1313 WeakPolarHBondContact O-CB 3.28Å; L1310-K1313 PolarHBondContact O-N 3.08Å; K1313-L1316 WeakPolarHBondContact O-CB 3.32Å; K1313-L1316 PolarHBondContact O-N 2.79Å; K1313-K1317 WeakPolarHBondContact O-CB 3.23Å; K1313-K1317 PolarHBondContact O-N 3.04Å |
| 1314 | N | 50.8 | Low | 46.9 | Very low | 68 Ų | 68 | 80.9 Ų | 80.9 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 172.9 | -70 | -26 | 0 | 0 | 0 | 111.2 | L1310 L1316 K1317 V1318 | L1310-N1314 WeakPolarHBondContact O-CB 3.3Å; L1310-N1314 VanDerWaalsContact O-CG 3.28Å; L1310-N1314 PolarHBondContact O-N 3.06Å; L1310-N1314 PolarHBondContact O-ND2 3.12Å; N1314-L1316 VanDerWaalsContact C-N 3.34Å; N1314-L1316 PolarHBondContact O-N 2.89Å; N1314-K1317 PolarHBondContact O-N 2.84Å; N1314-V1318 VanDerWaalsContact O-CB 3.24Å; N1314-V1318 WeakPolarHBondContact O-CB 3.5Å; N1314-V1318 VanDerWaalsContact O-CG2 3.22Å; N1314-V1318 WeakPolarHBondContact O-CG2 3.43Å; N1314-V1318 PolarHBondContact O-N 2.65Å |
| 1315 | W | 55.3 | Low | 46.5 | Very low | 152 Ų | 152 | 81.8 Ų | 81.8 | 58% | 0.576 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.8 | -43 | 173.1 | 172.7 | 94.7 | 0 | 0 | 0 | 111.8 | D1311 K1319 | D1311-W1315 WeakPolarHBondContact O-CB 3.43Å; D1311-W1315 PolarHBondContact O-N 3.5Å; W1315-K1319 HydrophobicContact CD2-CG 4.01Å; W1315-K1319 HydrophobicContact CG-CG 4.38Å; W1315-K1319 HydrophobicContact CZ2-CD 4.48Å; W1315-K1319 HydrophobicContact CZ2-CG 4.02Å; W1315-K1319 WeakPolarHBondContact O-CB 3.49Å; W1315-K1319 WeakPolarHBondContact O-CG 3.44Å; W1315-K1319 PolarHBondContact O-N 3.24Å |
| 1316 | L | 46.9 | Very low | 45.8 | Very low | 14 Ų | 14 | 81.7 Ų | 81.7 | 7% | 0.073 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.8 | -49.1 | 175 | 175.8 | 68.1 | 0 | 0 | 0 | 110.3 | Y1299 L1302 V1306 K1312 K1313 N1314 V1318 K1319 L1320 | Y1299-L1316 HydrophobicContact CD2-CD2 3.75Å; Y1299-L1316 HydrophobicContact CD2-CG 4.14Å; Y1299-L1316 HydrophobicContact CE2-CD2 4.25Å; L1302-L1316 HydrophobicContact CB-CD1 4.23Å; L1302-L1316 HydrophobicContact CB-CD2 3.71Å; L1302-L1316 HydrophobicContact CD1-CD1 4.05Å; V1306-L1316 HydrophobicContact CG2-CD2 4.2Å; K1312-L1316 WeakPolarHBondContact O-CB 3.19Å; K1312-L1316 PolarHBondContact O-N 3.19Å; K1313-L1316 WeakPolarHBondContact O-CB 3.32Å; K1313-L1316 PolarHBondContact O-N 2.79Å; N1314-L1316 VanDerWaalsContact C-N 3.34Å; N1314-L1316 PolarHBondContact O-N 2.89Å; L1316-V1318 PolarHBondContact O-N 3.19Å; L1316-K1319 PolarHBondContact O-N 2.92Å; L1316-K1319 VanDerWaalsContact O-N 3.16Å; L1316-L1320 HydrophobicContact CD1-CD1 4.24Å; L1316-L1320 HydrophobicContact CD1-CG 4.35Å; L1316-L1320 HydrophobicContact CG-CD1 4.11Å; L1316-L1320 WeakPolarHBondContact O-CB 3.39Å; L1316-L1320 VanDerWaalsContact O-CG 3.24Å; L1316-L1320 WeakPolarHBondContact O-CG 3.18Å; L1316-L1320 PolarHBondContact O-N 3.4Å |
| 1317 | K | 50.5 | Low | 45.5 | Very low | 73 Ų | 73 | 87.7 Ų | 87.7 | 32% | 0.317 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | -180 | -159.1 | 149.7 | -178 | 154.4 | 0 | 111.7 | E1296 Y1299 K1313 N1314 L1320 V1321 | E1296-K1317 WeakPolarHBondContact OE1-CE 3.31Å; E1296-K1317 IonicContact OE1-NZ 3.48Å; E1296-K1317 PolarHBondContact OE1-NZ 2.77Å; E1296-K1317 IonicContact OE2-NZ 2.65Å; E1296-K1317 PolarHBondContact OE2-NZ 3.11Å; Y1299-K1317 HydrophobicContact CD2-CB 4.21Å; Y1299-K1317 HydrophobicContact CD2-CD 4.28Å; Y1299-K1317 HydrophobicContact CD2-CG 4.49Å; Y1299-K1317 HydrophobicContact CE1-CD 4.46Å; Y1299-K1317 HydrophobicContact CE2-CB 3.99Å; Y1299-K1317 HydrophobicContact CE2-CD 3.95Å; Y1299-K1317 HydrophobicContact CE2-CG 4.43Å; K1313-K1317 WeakPolarHBondContact O-CB 3.23Å; K1313-K1317 PolarHBondContact O-N 3.04Å; N1314-K1317 PolarHBondContact O-N 2.84Å; K1317-L1320 PolarHBondContact O-N 3.2Å; K1317-V1321 WeakPolarHBondContact O-CB 3.2Å; K1317-V1321 VanDerWaalsContact O-CG2 3.29Å; K1317-V1321 WeakPolarHBondContact O-CG2 3.46Å; K1317-V1321 PolarHBondContact O-N 3.13Å |
| 1318 | V | 53.9 | Low | 45.1 | Very low | 82 Ų | 82 | 89.5 Ų | 89.5 | 50% | 0.497 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.3 | -36.1 | 172.4 | 169.6 | 0 | 0 | 0 | 0 | 111.8 | N1314 L1316 V1321 D1322 | N1314-V1318 VanDerWaalsContact O-CB 3.24Å; N1314-V1318 WeakPolarHBondContact O-CB 3.5Å; N1314-V1318 VanDerWaalsContact O-CG2 3.22Å; N1314-V1318 WeakPolarHBondContact O-CG2 3.43Å; N1314-V1318 PolarHBondContact O-N 2.65Å; L1316-V1318 PolarHBondContact O-N 3.19Å; V1318-V1321 CarbonylContact O-C 3.44Å; V1318-V1321 PolarHBondContact O-N 2.86Å; V1318-D1322 WeakPolarHBondContact O-CB 3.43Å; V1318-D1322 PolarHBondContact O-N 3.05Å |
| 1319 | K | 49.7 | Very low | 44.4 | Very low | 88 Ų | 88 | 86.4 Ų | 86.4 | 38% | 0.383 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -72.4 | -34.7 | 175.8 | -78.1 | -78.1 | 161.7 | -105.8 | 0 | 112.5 | W1315 L1316 D1322 V1323 | W1315-K1319 HydrophobicContact CD2-CG 4.01Å; W1315-K1319 HydrophobicContact CG-CG 4.38Å; W1315-K1319 HydrophobicContact CZ2-CD 4.48Å; W1315-K1319 HydrophobicContact CZ2-CG 4.02Å; W1315-K1319 WeakPolarHBondContact O-CB 3.49Å; W1315-K1319 WeakPolarHBondContact O-CG 3.44Å; W1315-K1319 PolarHBondContact O-N 3.24Å; L1316-K1319 PolarHBondContact O-N 2.92Å; L1316-K1319 VanDerWaalsContact O-N 3.16Å; K1319-D1322 IonicContact NZ-OD2 3.34Å; K1319-D1322 PolarHBondContact NZ-OD2 3.46Å; K1319-D1322 PolarHBondContact O-N 3.32Å; K1319-V1323 WeakPolarHBondContact O-CB 3.3Å; K1319-V1323 VanDerWaalsContact O-CG2 3.22Å; K1319-V1323 WeakPolarHBondContact O-CG2 3.21Å; K1319-V1323 PolarHBondContact O-N 3.34Å |
| 1320 | L | 43.8 | Very low | 43.4 | Very low | 22 Ų | 22 | 86.5 Ų | 86.5 | 12% | 0.115 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 171.5 | -69.3 | 174.8 | 0 | 0 | 0 | 110.8 | F1295 L1298 L1316 K1317 V1323 A1324 | F1295-L1320 HydrophobicContact CD1-CB 3.69Å; F1295-L1320 HydrophobicContact CD1-CD1 4.31Å; F1295-L1320 HydrophobicContact CD1-CD2 3.93Å; F1295-L1320 HydrophobicContact CD1-CG 4.17Å; F1295-L1320 HydrophobicContact CE1-CB 3.86Å; F1295-L1320 HydrophobicContact CE1-CD2 3.87Å; F1295-L1320 HydrophobicContact CE1-CG 4.4Å; L1298-L1320 HydrophobicContact CD2-CD2 3.82Å; L1316-L1320 HydrophobicContact CD1-CD1 4.24Å; L1316-L1320 HydrophobicContact CD1-CG 4.35Å; L1316-L1320 HydrophobicContact CG-CD1 4.11Å; L1316-L1320 WeakPolarHBondContact O-CB 3.39Å; L1316-L1320 VanDerWaalsContact O-CG 3.24Å; L1316-L1320 WeakPolarHBondContact O-CG 3.18Å; L1316-L1320 PolarHBondContact O-N 3.4Å; K1317-L1320 PolarHBondContact O-N 3.2Å; L1320-V1323 PolarHBondContact O-N 2.7Å; L1320-A1324 PolarHBondContact O-N 3.37Å |
| 1321 | V | 48.6 | Very low | 42.4 | Very low | 74 Ų | 74 | 88 Ų | 88 | 45% | 0.448 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 171.3 | 167.4 | 0 | 0 | 0 | 0 | 112.1 | K1317 V1318 V1323 A1324 H1325 | K1317-V1321 WeakPolarHBondContact O-CB 3.2Å; K1317-V1321 VanDerWaalsContact O-CG2 3.29Å; K1317-V1321 WeakPolarHBondContact O-CG2 3.46Å; K1317-V1321 PolarHBondContact O-N 3.13Å; V1318-V1321 CarbonylContact O-C 3.44Å; V1318-V1321 PolarHBondContact O-N 2.86Å; V1321-V1323 VanDerWaalsContact C-N 3.29Å; V1321-V1323 PolarHBondContact O-N 3.39Å; V1321-A1324 WeakPolarHBondContact O-CB 3.4Å; V1321-A1324 PolarHBondContact O-N 3.14Å; V1321-H1325 PolarHBondContact O-CD2 2.63Å; V1321-H1325 VanDerWaalsContact O-CD2 3.26Å; V1321-H1325 PolarHBondContact O-N 3.14Å |
| 1322 | D | 40.8 | Very low | 41.6 | Very low | 59 Ų | 59 | 87.3 Ų | 87.3 | 32% | 0.316 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.9 | -39.2 | 173.5 | -85.8 | -28.7 | 0 | 0 | 0 | 111.5 | V1318 K1319 H1326 | V1318-D1322 WeakPolarHBondContact O-CB 3.43Å; V1318-D1322 PolarHBondContact O-N 3.05Å; K1319-D1322 IonicContact NZ-OD2 3.34Å; K1319-D1322 PolarHBondContact NZ-OD2 3.46Å; K1319-D1322 PolarHBondContact O-N 3.32Å; D1322-H1326 VanDerWaalsContact O-CB 3.28Å; D1322-H1326 WeakPolarHBondContact O-CB 3.32Å; D1322-H1326 PolarHBondContact O-N 3.05Å; D1322-H1326 PolarHBondContact O-ND1 3.45Å |
| 1323 | V | 38.7 | Very low | 40.8 | Very low | 76 Ų | 76 | 93 Ų | 93 | 46% | 0.461 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.6 | -40.6 | 176.6 | 164.2 | 0 | 0 | 0 | 0 | 110.6 | K1319 L1320 V1321 H1326 F1327 | K1319-V1323 WeakPolarHBondContact O-CB 3.3Å; K1319-V1323 VanDerWaalsContact O-CG2 3.22Å; K1319-V1323 WeakPolarHBondContact O-CG2 3.21Å; K1319-V1323 PolarHBondContact O-N 3.34Å; L1320-V1323 PolarHBondContact O-N 2.7Å; V1321-V1323 VanDerWaalsContact C-N 3.29Å; V1321-V1323 PolarHBondContact O-N 3.39Å; V1323-H1326 PolarHBondContact O-N 2.8Å; V1323-F1327 WeakPolarHBondContact O-CB 3.47Å; V1323-F1327 PolarHBondContact O-N 2.86Å |
| 1324 | A | 38.6 | Very low | 40.1 | Very low | 25 Ų | 25 | 99 Ų | 99 | 21% | 0.207 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -60.2 | -49.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F1295 L1320 V1321 H1326 F1327 H1328 | F1295-A1324 HydrophobicContact CE2-CB 3.89Å; F1295-A1324 HydrophobicContact CZ-CB 4Å; L1320-A1324 PolarHBondContact O-N 3.37Å; V1321-A1324 WeakPolarHBondContact O-CB 3.4Å; V1321-A1324 PolarHBondContact O-N 3.14Å; A1324-H1326 PolarHBondContact O-N 2.96Å; A1324-F1327 PolarHBondContact O-N 3.35Å; A1324-H1328 PolarHBondContact O-CD2 2.58Å; A1324-H1328 PolarHBondContact O-N 2.83Å |
| 1325 | H | 39 | Very low | 39.5 | Very low | 125 Ų | 125 | 106 Ų | 106 | 58% | 0.579 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.8 | -36.8 | 175.4 | -80.9 | -70.6 | 0 | 0 | 0 | 113.1 | V1321 H1328 G1329 | V1321-H1325 PolarHBondContact O-CD2 2.63Å; V1321-H1325 VanDerWaalsContact O-CD2 3.26Å; V1321-H1325 PolarHBondContact O-N 3.14Å; H1325-H1328 PolarHBondContact O-N 2.83Å; H1325-G1329 PolarHBondContact O-N 2.97Å |
| 1326 | H | 38.7 | Very low | 38.9 | Very low | 130 Ų | 130 | 101.4 Ų | 101.4 | 60% | 0.602 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.6 | -36.2 | 173.3 | -98.3 | 82.4 | 0 | 0 | 0 | 112.1 | D1322 V1323 A1324 G1329 S1330 | D1322-H1326 VanDerWaalsContact O-CB 3.28Å; D1322-H1326 WeakPolarHBondContact O-CB 3.32Å; D1322-H1326 PolarHBondContact O-N 3.05Å; D1322-H1326 PolarHBondContact O-ND1 3.45Å; V1323-H1326 PolarHBondContact O-N 2.8Å; A1324-H1326 PolarHBondContact O-N 2.96Å; H1326-G1329 PolarHBondContact O-N 2.86Å; H1326-S1330 WeakPolarHBondContact O-CB 3.24Å; H1326-S1330 PolarHBondContact O-N 2.95Å; H1326-S1330 PolarHBondContact O-OG 3.01Å |
| 1327 | F | 34.7 | Very low | 38.8 | Very low | 154 Ų | 154 | 104 Ų | 104 | 68% | 0.675 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.8 | -42.5 | 172.3 | -112 | -93.6 | 0 | 0 | 0 | 111.7 | V1323 A1324 Q1331 | V1323-F1327 WeakPolarHBondContact O-CB 3.47Å; V1323-F1327 PolarHBondContact O-N 2.86Å; A1324-F1327 PolarHBondContact O-N 3.35Å; F1327-Q1331 PolarHBondContact O-N 3.38Å |
| 1328 | H | 33.3 | Very low | 38.8 | Very low | 129 Ų | 129 | 101.4 Ų | 101.4 | 60% | 0.597 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64 | -36.8 | 173.4 | -75.3 | -59.8 | 0 | 0 | 0 | 113.1 | A1324 H1325 | A1324-H1328 PolarHBondContact O-CD2 2.58Å; A1324-H1328 PolarHBondContact O-N 2.83Å; H1325-H1328 PolarHBondContact O-N 2.83Å |
| 1329 | G | 30.6 | Very low | 38.7 | Very low | 61 Ų | 61 | 98.6 Ų | 98.6 | 63% | 0.629 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -80.3 | -33.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | H1325 H1326 | H1325-G1329 PolarHBondContact O-N 2.97Å; H1326-G1329 PolarHBondContact O-N 2.86Å |
| 1330 | S | 29.8 | Very low | 38.8 | Very low | 81 Ų | 81 | 97.5 Ų | 97.5 | 57% | 0.566 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -84.3 | -20.7 | -171.5 | -59.2 | 0 | 0 | 0 | 0 | 114 | H1326 V1332 | H1326-S1330 WeakPolarHBondContact O-CB 3.24Å; H1326-S1330 PolarHBondContact O-N 2.95Å; H1326-S1330 PolarHBondContact O-OG 3.01Å; S1330-V1332 PolarHBondContact O-N 3.29Å |
| 1331 | Q | 26.5 | Very low | 39.5 | Very low | 149 Ų | 149 | 98.3 Ų | 98.3 | 70% | 0.696 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -72.6 | 80.7 | 167.4 | -80.1 | -63.8 | -22.1 | 0 | 0 | 110.4 | F1327 R1333 | F1327-Q1331 PolarHBondContact O-N 3.38Å; Q1331-R1333 PolarHBondContact O-N 2.74Å |
| 1332 | V | 29.6 | Very low | 40.2 | Very low | 109 Ų | 109 | 95.5 Ų | 95.5 | 66% | 0.661 | 48% | 0.482 | S | S | * | . | trans | -1.8 | 114.9 | 168.7 | 179.2 | 0 | 0 | 0 | 0 | 113.6 | S1330 Q1334 | S1330-V1332 PolarHBondContact O-N 3.29Å; V1332-Q1334 VanDerWaalsContact C-N 3.27Å; V1332-Q1334 PolarHBondContact O-N 3.32Å | ||
| 1333 | R | 28.7 | Very low | 40.9 | Very low | 233 Ų | 233 | 96.9 Ų | 96.9 | 88% | 0.879 | 49% | 0.486 | S | S | * | . | trans | -47.3 | 88.1 | 167.1 | -63.2 | -177.6 | -174.5 | 178.2 | 2 | 110.8 | Q1331 R1335 | Q1331-R1333 PolarHBondContact O-N 2.74Å; R1333-R1335 VanDerWaalsContact C-N 3.29Å; R1333-R1335 PolarHBondContact O-N 2.73Å | ||
| 1334 | Q | 33 | Very low | 42.2 | Very low | 174 Ų | 174 | 94.6 Ų | 94.6 | 81% | 0.813 | 48% | 0.475 | S | S | * | . | trans | -69.4 | 96 | 167.8 | -68.6 | -160.5 | 28.2 | 0 | 0 | 105 | V1332 S1336 | V1332-Q1334 VanDerWaalsContact C-N 3.27Å; V1332-Q1334 PolarHBondContact O-N 3.32Å; Q1334-S1336 WeakPolarHBondContact O-CA 3.48Å; Q1334-S1336 PolarHBondContact O-N 2.99Å | ||
| 1335 | R | 38 | Very low | 43.7 | Very low | 216 Ų | 216 | 93.8 Ų | 93.8 | 82% | 0.815 | 47% | 0.468 | S | S | * | . | trans | -53.7 | 105.3 | -169.2 | -62.3 | 178.6 | 178.4 | -160.3 | -10.5 | 108.2 | R1333 | R1333-R1335 VanDerWaalsContact C-N 3.29Å; R1333-R1335 PolarHBondContact O-N 2.73Å | ||
| 1336 | S | 42.8 | Very low | 45 | Very low | 56 Ų | 56 | 88.3 Ų | 88.3 | 39% | 0.392 | 44% | 0.443 | S | S | . | . | trans | -71.7 | 149 | -156.7 | -165.9 | 0 | 0 | 0 | 0 | 111.2 | Y1242 Q1334 L1338 | Y1242-S1336 PolarHBondContact OH-O 3.35Å; Q1334-S1336 WeakPolarHBondContact O-CA 3.48Å; Q1334-S1336 PolarHBondContact O-N 2.99Å; S1336-L1338 VanDerWaalsContact C-N 3.33Å; S1336-L1338 PolarHBondContact OG-N 3.22Å | ||
| 1337 | I | 45.9 | Very low | 46.2 | Very low | 68 Ų | 68 | 89 Ų | 89 | 35% | 0.349 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -83.7 | -17.4 | 172.3 | -69.9 | 175.5 | 0 | 0 | 0 | 110.1 | L1248 | L1248-I1337 HydrophobicContact CD1-CG2 3.7Å; L1248-I1337 WeakPolarHBondContact CD1-O 3.29Å; L1248-I1337 HydrophobicContact CD2-CG2 3.61Å; L1248-I1337 HydrophobicContact CG-CG2 4.05Å |
| 1338 | L | 49.3 | Very low | 48.1 | Very low | 18 Ų | 18 | 86.6 Ų | 86.6 | 9% | 0.094 | 44% | 0.439 | C | S | . | . | trans | -80.2 | 141.1 | 179.4 | -66.4 | -172.4 | 0 | 0 | 0 | 113.9 | L1275 F1279 S1336 H1342 F1343 L1346 | L1275-L1338 HydrophobicContact CD1-CD2 3.56Å; F1279-L1338 WeakPolarHBondContact O-CD1 3Å; S1336-L1338 VanDerWaalsContact C-N 3.33Å; S1336-L1338 PolarHBondContact OG-N 3.22Å; L1338-H1342 HydrophobicContact CB-CB 4.06Å; L1338-H1342 HydrophobicContact CD1-CB 4.08Å; L1338-H1342 HydrophobicContact CD2-CB 3.81Å; L1338-H1342 HydrophobicContact CG-CB 4.21Å; L1338-F1343 HydrophobicContact CB-CD2 4.12Å; L1338-F1343 HydrophobicContact CB-CE2 3.86Å; L1338-L1346 HydrophobicContact CD1-CD1 4.44Å | ||
| 1339 | T | 52.3 | Low | 50.1 | Low | 24 Ų | 24 | 80.9 Ų | 80.9 | 15% | 0.147 | 41% | 0.412 | C | S | . | . | trans | -87 | 165 | 170 | 63.9 | 0 | 0 | 0 | 0 | 111.6 | G1246 K1341 H1342 F1343 | G1246-T1339 WeakPolarHBondContact O-CG2 3.05Å; T1339-K1341 VanDerWaalsContact C-N 3.29Å; T1339-K1341 PolarHBondContact O-N 3.28Å; T1339-H1342 WeakPolarHBondContact O-CB 3.33Å; T1339-H1342 PolarHBondContact O-N 2.82Å; T1339-H1342 PolarHBondContact OG1-ND1 3.33Å; T1339-F1343 PolarHBondContact O-N 2.93Å | ||
| 1340 | P | 52.3 | Low | 51.7 | Low | 64 Ų | 64 | 79 Ų | 79 | 42% | 0.416 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -51.2 | -42.5 | 179 | -30.1 | 37.5 | 0 | 0 | 0 | 114 | H1342 F1343 A1344 E1963 I1967 | P1340-H1342 PolarHBondContact O-N 3.05Å; P1340-H1342 VanDerWaalsContact O-N 3.07Å; P1340-F1343 CarbonylContact O-C 3.57Å; P1340-F1343 WeakPolarHBondContact O-CA 3.45Å; P1340-F1343 VanDerWaalsContact O-CB 3.31Å; P1340-F1343 WeakPolarHBondContact O-CB 3.28Å; P1340-F1343 PolarHBondContact O-N 3.38Å; P1340-A1344 PolarHBondContact O-N 3.06Å; P1340-E1963 VanDerWaalsContact C-OE2 3.22Å; P1340-I1967 HydrophobicContact CG-CD1 4.16Å |
| 1341 | K | 58.2 | Low | 53.6 | Low | 39 Ų | 39 | 77.8 Ų | 77.8 | 17% | 0.17 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -50.7 | -39.2 | 176.5 | -68.4 | -167.1 | 175.9 | 177.9 | 0 | 113.6 | F1268 T1339 A1344 A1345 N1961 E1963 E1964 | F1268-K1341 HydrophobicContact CD1-CB 3.99Å; F1268-K1341 HydrophobicContact CD1-CD 4.46Å; F1268-K1341 HydrophobicContact CD2-CB 4.27Å; F1268-K1341 HydrophobicContact CD2-CD 4.33Å; F1268-K1341 HydrophobicContact CE1-CB 4.22Å; F1268-K1341 HydrophobicContact CE1-CD 3.9Å; F1268-K1341 HydrophobicContact CE2-CD 3.76Å; F1268-K1341 HydrophobicContact CG-CB 4.02Å; F1268-K1341 HydrophobicContact CZ-CB 4.49Å; F1268-K1341 HydrophobicContact CZ-CD 3.52Å; T1339-K1341 VanDerWaalsContact C-N 3.29Å; T1339-K1341 PolarHBondContact O-N 3.28Å; K1341-A1344 PolarHBondContact O-N 3.16Å; K1341-A1345 VanDerWaalsContact O-CB 3.31Å; K1341-A1345 WeakPolarHBondContact O-CB 3.32Å; K1341-A1345 PolarHBondContact O-N 2.87Å; K1341-N1961 WeakPolarHBondContact CE-OD1 3.31Å; K1341-E1963 WeakPolarHBondContact CA-OE2 3.43Å; K1341-E1963 PolarHBondContact N-OE2 2.97Å; K1341-E1963 VanDerWaalsContact N-OE2 3.09Å; K1341-E1964 WeakPolarHBondContact CE-OE1 3Å; K1341-E1964 WeakPolarHBondContact CE-OE2 3.13Å; K1341-E1964 IonicContact NZ-OE1 3.3Å; K1341-E1964 PolarHBondContact NZ-OE1 3.48Å; K1341-E1964 IonicContact NZ-OE2 2.92Å; K1341-E1964 PolarHBondContact NZ-OE2 3.39Å |
| 1342 | H | 63.7 | Low | 56 | Low | 15 Ų | 15 | 73.6 Ų | 73.6 | 7% | 0.069 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -74.3 | -31.2 | 177.7 | -63.7 | 83.9 | 0 | 0 | 0 | 112.8 | F1268 E1271 A1272 L1338 T1339 P1340 L1346 | F1268-H1342 PolarHBondContact O-CD2 3.28Å; E1271-H1342 IonicContact OE2-NE2 3.36Å; A1272-H1342 HydrophobicContact CB-CB 4.22Å; L1338-H1342 HydrophobicContact CB-CB 4.06Å; L1338-H1342 HydrophobicContact CD1-CB 4.08Å; L1338-H1342 HydrophobicContact CD2-CB 3.81Å; L1338-H1342 HydrophobicContact CG-CB 4.21Å; T1339-H1342 WeakPolarHBondContact O-CB 3.33Å; T1339-H1342 PolarHBondContact O-N 2.82Å; T1339-H1342 PolarHBondContact OG1-ND1 3.33Å; P1340-H1342 PolarHBondContact O-N 3.05Å; P1340-H1342 VanDerWaalsContact O-N 3.07Å; H1342-L1346 WeakPolarHBondContact O-CB 3.33Å; H1342-L1346 WeakPolarHBondContact O-CG 3.3Å; H1342-L1346 PolarHBondContact O-N 3.39Å; H1342-L1346 VanDerWaalsContact O-N 3.08Å |
| 1343 | F | 55.2 | Low | 58.1 | Low | 88 Ų | 88 | 70.6 Ų | 70.6 | 39% | 0.386 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.1 | -44.8 | 170.3 | -83.3 | -108.8 | 0 | 0 | 0 | 110.7 | V1281 L1338 T1339 P1340 L1346 K1347 | V1281-F1343 HydrophobicContact CB-CD1 4.27Å; V1281-F1343 HydrophobicContact CB-CE1 4.34Å; V1281-F1343 HydrophobicContact CG1-CD1 3.94Å; V1281-F1343 HydrophobicContact CG1-CE1 3.88Å; V1281-F1343 HydrophobicContact CG2-CB 4.19Å; V1281-F1343 HydrophobicContact CG2-CD1 3.3Å; V1281-F1343 HydrophobicContact CG2-CD2 4.31Å; V1281-F1343 HydrophobicContact CG2-CE1 3.67Å; V1281-F1343 HydrophobicContact CG2-CG 3.66Å; V1281-F1343 HydrophobicContact CG2-CZ 4.31Å; L1338-F1343 HydrophobicContact CB-CD2 4.12Å; L1338-F1343 HydrophobicContact CB-CE2 3.86Å; T1339-F1343 PolarHBondContact O-N 2.93Å; P1340-F1343 CarbonylContact O-C 3.57Å; P1340-F1343 WeakPolarHBondContact O-CA 3.45Å; P1340-F1343 VanDerWaalsContact O-CB 3.31Å; P1340-F1343 WeakPolarHBondContact O-CB 3.28Å; P1340-F1343 PolarHBondContact O-N 3.38Å; F1343-L1346 CarbonylContact O-C 3.26Å; F1343-L1346 PolarHBondContact O-N 3.41Å; F1343-K1347 WeakPolarHBondContact O-CB 3.12Å; F1343-K1347 PolarHBondContact O-N 2.68Å |
| 1344 | A | 66 | Low | 60.6 | Low | 29 Ų | 29 | 62 Ų | 62 | 24% | 0.24 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1340 K1341 L1346 K1347 N1348 | P1340-A1344 PolarHBondContact O-N 3.06Å; K1341-A1344 PolarHBondContact O-N 3.16Å; A1344-L1346 PolarHBondContact O-N 3.14Å; A1344-K1347 CarbonylContact O-C 3.28Å; A1344-K1347 WeakPolarHBondContact O-CA 3.38Å; A1344-K1347 VanDerWaalsContact O-CB 3.31Å; A1344-K1347 WeakPolarHBondContact O-CB 3.35Å; A1344-K1347 PolarHBondContact O-N 2.87Å; A1344-N1348 PolarHBondContact O-N 3.18Å |
| 1345 | A | 70.4 | Confident | 63 | Low | 7 Ų | 7 | 53.7 Ų | 53.7 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -54.6 | -52.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F707 F1268 E1269 K1341 K1347 N1348 L1349 | F707-A1345 HydrophobicContact CE1-CB 4.04Å; F707-A1345 HydrophobicContact CZ-CB 3.79Å; F1268-A1345 VanDerWaalsContact C-CB 3.46Å; F1268-A1345 HydrophobicContact CB-CB 3.47Å; F1268-A1345 VanDerWaalsContact CB-CB 3.47Å; E1269-A1345 HydrophobicContact CB-CB 3.91Å; E1269-A1345 HydrophobicContact CG-CB 3.64Å; E1269-A1345 WeakPolarHBondContact CG-O 3.41Å; K1341-A1345 VanDerWaalsContact O-CB 3.31Å; K1341-A1345 WeakPolarHBondContact O-CB 3.32Å; K1341-A1345 PolarHBondContact O-N 2.87Å; A1345-K1347 PolarHBondContact O-N 2.78Å; A1345-K1347 VanDerWaalsContact O-N 3.16Å; A1345-N1348 PolarHBondContact O-N 3.17Å; A1345-L1349 VanDerWaalsContact O-CB 3.32Å; A1345-L1349 WeakPolarHBondContact O-CB 3.43Å; A1345-L1349 PolarHBondContact O-N 3.16Å |
| 1346 | L | 65.8 | Low | 64.9 | Low | 11 Ų | 11 | 43.8 Ų | 43.8 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.5 | -9.9 | 175.6 | -73.7 | 175.3 | 0 | 0 | 0 | 114.5 | E1269 A1272 L1273 S1280 V1281 L1338 H1342 F1343 A1344 L1349 Q1350 | E1269-L1346 HydrophobicContact CB-CD2 4.47Å; A1272-L1346 HydrophobicContact CB-CD1 3.51Å; A1272-L1346 HydrophobicContact CB-CD2 4.01Å; A1272-L1346 HydrophobicContact CB-CG 3.6Å; L1273-L1346 HydrophobicContact CD2-CD2 4.28Å; S1280-L1346 VanDerWaalsContact CA-CD1 3.46Å; V1281-L1346 HydrophobicContact CG2-CB 4.11Å; V1281-L1346 HydrophobicContact CG2-CD1 3.9Å; L1338-L1346 HydrophobicContact CD1-CD1 4.44Å; H1342-L1346 WeakPolarHBondContact O-CB 3.33Å; H1342-L1346 WeakPolarHBondContact O-CG 3.3Å; H1342-L1346 PolarHBondContact O-N 3.39Å; H1342-L1346 VanDerWaalsContact O-N 3.08Å; F1343-L1346 CarbonylContact O-C 3.26Å; F1343-L1346 PolarHBondContact O-N 3.41Å; A1344-L1346 PolarHBondContact O-N 3.14Å; L1346-L1349 HydrophobicContact CD2-CD1 4.25Å; L1346-L1349 CarbonylContact O-C 3.25Å; L1346-L1349 VanDerWaalsContact O-C 3.28Å; L1346-Q1350 WeakPolarHBondContact O-CB 3.31Å; L1346-Q1350 PolarHBondContact O-N 3.22Å |
| 1347 | K | 63.6 | Low | 66.8 | Low | 145 Ų | 145 | 41.3 Ų | 41.3 | 63% | 0.63 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -89.8 | -38.4 | 172.8 | -128.5 | -172.9 | 178.7 | -166.2 | 0 | 111.8 | F1343 A1344 A1345 Q1350 C1351 | F1343-K1347 WeakPolarHBondContact O-CB 3.12Å; F1343-K1347 PolarHBondContact O-N 2.68Å; A1344-K1347 CarbonylContact O-C 3.28Å; A1344-K1347 WeakPolarHBondContact O-CA 3.38Å; A1344-K1347 VanDerWaalsContact O-CB 3.31Å; A1344-K1347 WeakPolarHBondContact O-CB 3.35Å; A1344-K1347 PolarHBondContact O-N 2.87Å; A1345-K1347 PolarHBondContact O-N 2.78Å; A1345-K1347 VanDerWaalsContact O-N 3.16Å; K1347-Q1350 VanDerWaalsContact C-N 3.32Å; K1347-Q1350 CarbonylContact O-C 3.53Å; K1347-Q1350 VanDerWaalsContact O-C 3.26Å; K1347-Q1350 VanDerWaalsContact O-CA 3.31Å; K1347-Q1350 WeakPolarHBondContact O-CA 3.47Å; K1347-Q1350 PolarHBondContact O-N 2.93Å; K1347-C1351 PolarHBondContact O-N 2.84Å; K1347-C1351 PolarHBondContact O-SG 3.46Å |
| 1348 | N | 75.5 | Confident | 68.3 | Low | 103 Ų | 103 | 38 Ų | 38 | 55% | 0.551 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -61.8 | -40.3 | 166 | -70.2 | 7.4 | 0 | 0 | 0 | 109.7 | F707 A1344 A1345 Q1350 C1351 R1352 | F707-N1348 HydrophobicContact CE2-CB 4.12Å; A1344-N1348 PolarHBondContact O-N 3.18Å; A1345-N1348 PolarHBondContact O-N 3.17Å; N1348-Q1350 PolarHBondContact O-N 2.91Å; N1348-C1351 CarbonylContact O-C 3.48Å; N1348-C1351 VanDerWaalsContact O-C 3.25Å; N1348-C1351 WeakPolarHBondContact O-CA 3.16Å; N1348-C1351 PolarHBondContact O-N 2.77Å; N1348-R1352 PolarHBondContact O-N 3.29Å |
| 1349 | L | 74.7 | Confident | 69.8 | Low | 8 Ų | 8 | 37.5 Ų | 37.5 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 16.8 | 169.2 | -150.9 | -97.8 | 0 | 0 | 0 | 112.6 | D701 N705 L706 F707 E1269 L1273 A1345 L1346 I1355 I1357 | D701-L1349 WeakPolarHBondContact OD2-CA 3.31Å; N705-L1349 WeakPolarHBondContact O-CD2 3.4Å; L706-L1349 WeakPolarHBondContact O-CD2 3.2Å; F707-L1349 HydrophobicContact CB-CD2 4.41Å; F707-L1349 HydrophobicContact CB-CG 4.16Å; F707-L1349 HydrophobicContact CD2-CB 3.62Å; F707-L1349 HydrophobicContact CD2-CD2 3.85Å; F707-L1349 HydrophobicContact CD2-CG 3.56Å; F707-L1349 HydrophobicContact CE2-CB 4.13Å; F707-L1349 HydrophobicContact CG-CG 4.18Å; E1269-L1349 HydrophobicContact CB-CB 4.28Å; E1269-L1349 HydrophobicContact CB-CG 4.28Å; E1269-L1349 HydrophobicContact CG-CB 3.98Å; E1269-L1349 HydrophobicContact CG-CG 4.27Å; L1273-L1349 HydrophobicContact CD1-CD1 4.08Å; L1273-L1349 HydrophobicContact CD2-CD1 3.76Å; L1273-L1349 HydrophobicContact CG-CD1 4.13Å; A1345-L1349 VanDerWaalsContact O-CB 3.32Å; A1345-L1349 WeakPolarHBondContact O-CB 3.43Å; A1345-L1349 PolarHBondContact O-N 3.16Å; L1346-L1349 HydrophobicContact CD2-CD1 4.25Å; L1346-L1349 CarbonylContact O-C 3.25Å; L1346-L1349 VanDerWaalsContact O-C 3.28Å; L1349-I1355 HydrophobicContact CD2-CD1 4.25Å; L1349-I1357 HydrophobicContact CD1-CD1 3.45Å; L1349-I1357 VanDerWaalsContact CD1-CD1 3.45Å; L1349-I1357 HydrophobicContact CD2-CD1 3.81Å; L1349-I1357 HydrophobicContact CG-CD1 4.26Å |
| 1350 | Q | 65.3 | Low | 71.1 | Confident | 21 Ų | 21 | 36.8 Ų | 36.8 | 10% | 0.098 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 1.1 | 156.5 | -122.1 | 177.5 | -0.1 | 0 | 0 | 113 | T1284 K1285 L1346 K1347 N1348 | T1284-Q1350 PolarHBondContact OG1-OE1 3.3Å; K1285-Q1350 HydrophobicContact CB-CG 4.43Å; K1285-Q1350 PolarHBondContact O-NE2 2.79Å; L1346-Q1350 WeakPolarHBondContact O-CB 3.31Å; L1346-Q1350 PolarHBondContact O-N 3.22Å; K1347-Q1350 VanDerWaalsContact C-N 3.32Å; K1347-Q1350 CarbonylContact O-C 3.53Å; K1347-Q1350 VanDerWaalsContact O-C 3.26Å; K1347-Q1350 VanDerWaalsContact O-CA 3.31Å; K1347-Q1350 WeakPolarHBondContact O-CA 3.47Å; K1347-Q1350 PolarHBondContact O-N 2.93Å; N1348-Q1350 PolarHBondContact O-N 2.91Å |
| 1351 | C | 68.8 | Low | 72.3 | Confident | 56 Ų | 56 | 34 Ų | 34 | 38% | 0.378 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -119.3 | 30.1 | 171.9 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | D703 K1347 N1348 | D703-C1351 WeakPolarHBondContact CA-O 3.43Å; D703-C1351 WeakPolarHBondContact CB-O 3.49Å; D703-C1351 VanDerWaalsContact N-C 3.25Å; D703-C1351 PolarHBondContact N-O 3.02Å; K1347-C1351 PolarHBondContact O-N 2.84Å; K1347-C1351 PolarHBondContact O-SG 3.46Å; N1348-C1351 CarbonylContact O-C 3.48Å; N1348-C1351 VanDerWaalsContact O-C 3.25Å; N1348-C1351 WeakPolarHBondContact O-CA 3.16Å; N1348-C1351 PolarHBondContact O-N 2.77Å |
| 1352 | R | 76.5 | Confident | 72.8 | Confident | 62 Ų | 62 | 35.1 Ų | 35.1 | 23% | 0.234 | 18% | 0.181 | C | C | . | . | trans | -125.3 | 116.4 | 168.1 | -81 | -138.3 | 84.3 | -127.1 | -10 | 121.2 | D701 D703 G704 N705 N1348 D1354 I1355 | D701-R1352 CarbonylContact C-O 3.57Å; D701-R1352 WeakPolarHBondContact CA-O 3.43Å; D701-R1352 VanDerWaalsContact CB-O 3.3Å; D701-R1352 WeakPolarHBondContact CB-O 3.34Å; D701-R1352 VanDerWaalsContact CG-N 3.29Å; D701-R1352 PolarHBondContact N-O 3.11Å; D701-R1352 CarbonylContact O-C 3.53Å; D701-R1352 VanDerWaalsContact O-C 3.25Å; D701-R1352 VanDerWaalsContact O-O 3.12Å; D701-R1352 WeakPolarHBondContact OD2-CA 2.71Å; D701-R1352 VanDerWaalsContact OD2-CB 3.3Å; D701-R1352 WeakPolarHBondContact OD2-CB 3.07Å; D701-R1352 PolarHBondContact OD2-N 3.35Å; D703-R1352 HydrophobicContact CB-CG 4.05Å; D703-R1352 VanDerWaalsContact N-C 3.26Å; D703-R1352 VanDerWaalsContact O-CZ 3.29Å; D703-R1352 PolarHBondContact O-NE 3.49Å; D703-R1352 VanDerWaalsContact O-NE 3.15Å; D703-R1352 PolarHBondContact O-NH2 3.26Å; G704-R1352 VanDerWaalsContact CA-CB 3.48Å; G704-R1352 VanDerWaalsContact N-CZ 3.31Å; G704-R1352 PolarHBondContact O-NH1 3.28Å; N705-R1352 HydrophobicContact CB-CB 4.31Å; N705-R1352 HydrophobicContact CB-CG 4.14Å; N705-R1352 VanDerWaalsContact CG-CD 3.43Å; N705-R1352 VanDerWaalsContact N-NE 3.18Å; N705-R1352 PolarHBondContact OD1-NH1 3.47Å; N1348-R1352 PolarHBondContact O-N 3.29Å; R1352-D1354 IonicContact CZ-OD1 2.6Å; R1352-D1354 IonicContact NH2-OD1 3.02Å; R1352-D1354 PolarHBondContact NH2-OD1 3.02Å; R1352-I1355 VanDerWaalsContact O-CG1 3.3Å; R1352-I1355 WeakPolarHBondContact O-CG1 3.46Å | ||
| 1353 | S | 73.2 | Confident | 72.7 | Confident | 45 Ų | 45 | 36.3 Ų | 36.3 | 32% | 0.315 | 20% | 0.197 | S | C | . | . | trans | -114.9 | -18.4 | -169 | 65.7 | 0 | 0 | 0 | 0 | 122.4 | D701 N702 D703 I1355 | D701-S1353 WeakPolarHBondContact O-CA 3.22Å; D701-S1353 WeakPolarHBondContact O-CB 3.25Å; D701-S1353 PolarHBondContact O-N 2.83Å; N702-S1353 VanDerWaalsContact C-N 3.29Å; N702-S1353 WeakPolarHBondContact O-CB 3.47Å; N702-S1353 PolarHBondContact O-OG 3Å; D703-S1353 WeakPolarHBondContact CA-OG 3.14Å; D703-S1353 PolarHBondContact N-OG 2.84Å; S1353-I1355 CarbonylContact C-O 3.49Å; S1353-I1355 WeakPolarHBondContact CA-O 3.38Å; S1353-I1355 CarbonylContact O-C 2.98Å; S1353-I1355 VanDerWaalsContact O-C 3.29Å; S1353-I1355 PolarHBondContact O-N 3.12Å | ||
| 1354 | D | 81.9 | Confident | 73 | Confident | 52 Ų | 52 | 34 Ų | 34 | 28% | 0.278 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -69.6 | -19 | 170.3 | 74.9 | -118.3 | 0 | 0 | 0 | 111.8 | G704 R793 R1352 K1371 | G704-D1354 VanDerWaalsContact CA-CG 3.47Å; G704-D1354 VanDerWaalsContact CA-N 3.33Å; G704-D1354 VanDerWaalsContact CA-OD1 3.28Å; G704-D1354 WeakPolarHBondContact CA-OD1 3.37Å; R793-D1354 PolarHBondContact NH1-O 3.34Å; R1352-D1354 IonicContact CZ-OD1 2.6Å; R1352-D1354 IonicContact NH2-OD1 3.02Å; R1352-D1354 PolarHBondContact NH2-OD1 3.02Å; D1354-K1371 WeakPolarHBondContact O-CB 3.23Å; D1354-K1371 PolarHBondContact O-N 2.97Å |
| 1355 | I | 83.8 | Confident | 73.2 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -81.6 | 137.5 | 142.9 | 65.5 | 152.7 | 0 | 0 | 0 | 111.7 | Y700 G704 N705 S1261 L1349 R1352 S1353 I1357 V1368 I1369 | Y700-I1355 WeakPolarHBondContact CB-O 3.12Å; Y700-I1355 HydrophobicContact CD1-CB 3.43Å; Y700-I1355 VanDerWaalsContact CD1-CB 3.43Å; Y700-I1355 HydrophobicContact CD1-CD1 3.88Å; Y700-I1355 HydrophobicContact CD1-CG1 3.71Å; Y700-I1355 WeakPolarHBondContact CD1-O 3.32Å; Y700-I1355 WeakPolarHBondContact CD2-O 3.09Å; Y700-I1355 VanDerWaalsContact CE1-CA 3.44Å; Y700-I1355 HydrophobicContact CE1-CB 3.44Å; Y700-I1355 VanDerWaalsContact CE1-CB 3.44Å; Y700-I1355 HydrophobicContact CE1-CG1 4.36Å; Y700-I1355 HydrophobicContact CE1-CG2 4.44Å; G704-I1355 WeakPolarHBondContact O-CG2 3.28Å; N705-I1355 VanDerWaalsContact C-CD1 3.43Å; N705-I1355 WeakPolarHBondContact O-CD1 3.31Å; S1261-I1355 VanDerWaalsContact CB-CG2 3.46Å; S1261-I1355 WeakPolarHBondContact OG-CG2 3.5Å; L1349-I1355 HydrophobicContact CD2-CD1 4.25Å; R1352-I1355 VanDerWaalsContact O-CG1 3.3Å; R1352-I1355 WeakPolarHBondContact O-CG1 3.46Å; S1353-I1355 CarbonylContact C-O 3.49Å; S1353-I1355 WeakPolarHBondContact CA-O 3.38Å; S1353-I1355 CarbonylContact O-C 2.98Å; S1353-I1355 VanDerWaalsContact O-C 3.29Å; S1353-I1355 PolarHBondContact O-N 3.12Å; I1355-I1357 HydrophobicContact CD1-CG1 4.18Å; I1355-V1368 HydrophobicContact CB-CG1 4.16Å; I1355-V1368 HydrophobicContact CD1-CG1 3.51Å; I1355-V1368 HydrophobicContact CG1-CG1 4.44Å; I1355-V1368 HydrophobicContact CG2-CG1 4.42Å; I1355-I1369 WeakPolarHBondContact CB-O 3.26Å; I1355-I1369 WeakPolarHBondContact CG2-O 3.32Å |
| 1356 | V | 78.5 | Confident | 73.6 | Confident | 8 Ų | 8 | 33.1 Ų | 33.1 | 5% | 0.048 | 19% | 0.186 | C | C | . | . | -59.9 | 85.3 | 117.3 | -69.4 | 0 | 0 | 0 | 0 | 124.8 | V699 Y700 L1358 I1369 Y1374 Y1437 | V699-V1356 HydrophobicContact CG1-CB 3.3Å; V699-V1356 HydrophobicContact CG1-CG1 3.38Å; V699-V1356 HydrophobicContact CG1-CG2 4.45Å; Y700-V1356 HydrophobicContact CD1-CB 3.94Å; Y700-V1356 HydrophobicContact CD2-CB 2.96Å; Y700-V1356 HydrophobicContact CD2-CG1 2.91Å; Y700-V1356 HydrophobicContact CD2-CG2 4.02Å; Y700-V1356 HydrophobicContact CE1-CB 3.65Å; Y700-V1356 HydrophobicContact CE1-CG2 4.13Å; Y700-V1356 WeakPolarHBondContact CE1-O 3.49Å; Y700-V1356 HydrophobicContact CE2-CB 2.59Å; Y700-V1356 HydrophobicContact CE2-CG1 2.95Å; Y700-V1356 HydrophobicContact CE2-CG2 2.97Å; Y700-V1356 HydrophobicContact CG-CB 3.63Å; Y700-V1356 HydrophobicContact CG-CG1 3.98Å; Y700-V1356 VanDerWaalsContact CZ-O 3.31Å; Y700-V1356 WeakPolarHBondContact OH-CA 3.5Å; Y700-V1356 WeakPolarHBondContact OH-CG2 3.28Å; Y700-V1356 PolarHBondContact OH-N 3.03Å; V1356-L1358 HydrophobicContact CB-CD1 4.45Å; V1356-L1358 HydrophobicContact CB-CD2 4.22Å; V1356-L1358 HydrophobicContact CB-CG 3.9Å; V1356-L1358 HydrophobicContact CG2-CD1 3.52Å; V1356-L1358 HydrophobicContact CG2-CD2 4.06Å; V1356-L1358 HydrophobicContact CG2-CG 3.49Å; V1356-L1358 VanDerWaalsContact CG2-CG 3.49Å; V1356-L1358 WeakPolarHBondContact O-CG 2.96Å; V1356-L1358 PolarHBondContact O-N 3.26Å; V1356-I1369 HydrophobicContact CG2-CG2 3.56Å; V1356-I1369 PolarHBondContact O-N 3.17Å; V1356-Y1374 HydrophobicContact CG1-CD1 4.31Å; V1356-Y1374 HydrophobicContact CG2-CD1 3.65Å; V1356-Y1374 HydrophobicContact CG2-CD2 3.32Å; V1356-Y1374 HydrophobicContact CG2-CE1 4.3Å; V1356-Y1374 HydrophobicContact CG2-CE2 4.03Å; V1356-Y1374 HydrophobicContact CG2-CG 3.28Å; V1356-Y1437 HydrophobicContact CG1-CD2 3.56Å; V1356-Y1437 HydrophobicContact CG1-CE2 3.52Å | |||
| 1357 | I | 81.4 | Confident | 74.4 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | trans | -70.1 | 70.7 | -177.7 | -57.3 | 168.1 | 0 | 0 | 0 | 110 | V699 Y700 D701 F1277 L1349 I1355 V1366 V1367 V1368 | V699-I1357 WeakPolarHBondContact CG2-O 3.5Å; Y700-I1357 HydrophobicContact CD1-CB 4.5Å; Y700-I1357 HydrophobicContact CD1-CG1 4Å; Y700-I1357 VanDerWaalsContact CE1-N 3.3Å; D701-I1357 WeakPolarHBondContact OD1-CD1 3.34Å; F1277-I1357 HydrophobicContact CZ-CG2 4.05Å; L1349-I1357 HydrophobicContact CD1-CD1 3.45Å; L1349-I1357 VanDerWaalsContact CD1-CD1 3.45Å; L1349-I1357 HydrophobicContact CD2-CD1 3.81Å; L1349-I1357 HydrophobicContact CG-CD1 4.26Å; I1355-I1357 HydrophobicContact CD1-CG1 4.18Å; I1357-V1366 HydrophobicContact CG2-CG1 3.4Å; I1357-V1367 CarbonylContact C-O 3.6Å; I1357-V1367 WeakPolarHBondContact CA-O 3.3Å; I1357-V1368 HydrophobicContact CB-CG1 4.32Å; I1357-V1368 HydrophobicContact CB-CG2 3.97Å; I1357-V1368 HydrophobicContact CG1-CB 4.36Å; I1357-V1368 HydrophobicContact CG1-CG1 3.67Å; I1357-V1368 HydrophobicContact CG1-CG2 3.88Å; I1357-V1368 HydrophobicContact CG2-CG2 3.62Å | ||
| 1358 | L | 78.7 | Confident | 75.4 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -68.7 | 170.7 | -177.5 | -72 | -177.8 | 0 | 0 | 0 | 115.1 | V699 V1356 V1367 I1369 Y1374 G1438 P1440 | V699-L1358 HydrophobicContact CG1-CD2 3.67Å; V699-L1358 HydrophobicContact CG1-CG 4.19Å; V699-L1358 HydrophobicContact CG2-CD2 4.14Å; V1356-L1358 HydrophobicContact CB-CD1 4.45Å; V1356-L1358 HydrophobicContact CB-CD2 4.22Å; V1356-L1358 HydrophobicContact CB-CG 3.9Å; V1356-L1358 HydrophobicContact CG2-CD1 3.52Å; V1356-L1358 HydrophobicContact CG2-CD2 4.06Å; V1356-L1358 HydrophobicContact CG2-CG 3.49Å; V1356-L1358 VanDerWaalsContact CG2-CG 3.49Å; V1356-L1358 WeakPolarHBondContact O-CG 2.96Å; V1356-L1358 PolarHBondContact O-N 3.26Å; L1358-V1367 CarbonylContact C-O 2.75Å; L1358-V1367 WeakPolarHBondContact CA-O 3.45Å; L1358-V1367 HydrophobicContact CB-CG1 4.39Å; L1358-V1367 PolarHBondContact N-O 2.68Å; L1358-V1367 PolarHBondContact O-N 3.15Å; L1358-I1369 HydrophobicContact CD1-CG2 3.85Å; L1358-I1369 HydrophobicContact CG-CG2 4.36Å; L1358-Y1374 HydrophobicContact CD1-CD2 4.02Å; L1358-Y1374 HydrophobicContact CD1-CE2 4.26Å; L1358-G1438 VanDerWaalsContact CD1-O 3.26Å; L1358-G1438 WeakPolarHBondContact CD1-O 3.5Å; L1358-P1440 VanDerWaalsContact CD1-CD 3.4Å; L1358-P1440 HydrophobicContact CD1-CG 3.81Å | ||
| 1359 | R | 79.4 | Confident | 75.9 | Confident | 6 Ų | 6 | 20.9 Ų | 20.9 | 2% | 0.023 | 13% | 0.127 | C | C | . | . | trans | -106.9 | 138.7 | 159.8 | -63.3 | 175.1 | 176.2 | -177.4 | -27.6 | 105.9 | Q692 K693 L694 K696 T697 F1277 L1439 | Q692-R1359 PolarHBondContact O-NH1 3Å; Q692-R1359 PolarHBondContact O-NH2 3.28Å; K693-R1359 VanDerWaalsContact C-CZ 3.49Å; K693-R1359 HydrophobicContact CD-CB 4.09Å; K693-R1359 HydrophobicContact CD-CG 4.13Å; K693-R1359 HydrophobicContact CG-CG 4.35Å; K693-R1359 WeakPolarHBondContact O-CD 3.43Å; K693-R1359 PolarHBondContact O-NH1 2.87Å; L694-R1359 VanDerWaalsContact C-NH1 3.34Å; L694-R1359 VanDerWaalsContact N-NH1 3.14Å; K696-R1359 PolarHBondContact O-NE 2.65Å; K696-R1359 VanDerWaalsContact O-NE 3.17Å; K696-R1359 PolarHBondContact O-NH1 3.12Å; K696-R1359 PolarHBondContact O-NH2 3.06Å; K696-R1359 VanDerWaalsContact O-NH2 3.09Å; T697-R1359 HydrophobicContact CG2-CB 4.13Å; T697-R1359 HydrophobicContact CG2-CG 3.91Å; T697-R1359 VanDerWaalsContact N-NH1 3.13Å; T697-R1359 WeakPolarHBondContact OG1-CD 3.16Å; T697-R1359 PolarHBondContact OG1-NH1 2.95Å; F1277-R1359 HydrophobicContact CD2-CG 4.33Å; F1277-R1359 VanDerWaalsContact CD2-NE 3.3Å; F1277-R1359 HydrophobicContact CE2-CG 3.61Å; F1277-R1359 VanDerWaalsContact CE2-NE 3.32Å; F1277-R1359 HydrophobicContact CZ-CG 4.11Å; R1359-L1439 VanDerWaalsContact O-CD2 3.3Å; R1359-L1439 WeakPolarHBondContact O-CD2 3.4Å | ||
| 1360 | P | 81.3 | Confident | 76.5 | Confident | 10 Ų | 10 | 20.5 Ų | 20.5 | 7% | 0.065 | 13% | 0.125 | C | C | . | . | trans | -69.5 | 164.4 | 171.4 | 24.3 | -34.2 | 0 | 0 | 0 | 112.7 | K1362 G1365 V1367 I1442 | P1360-K1362 VanDerWaalsContact C-N 3.3Å; P1360-K1362 WeakPolarHBondContact CG-O 3.48Å; P1360-K1362 PolarHBondContact O-N 3.38Å; P1360-G1365 WeakPolarHBondContact CD-O 3.37Å; P1360-V1367 HydrophobicContact CB-CG2 4.03Å; P1360-V1367 VanDerWaalsContact CD-CG2 3.49Å; P1360-V1367 HydrophobicContact CG-CG2 3.79Å; P1360-I1442 HydrophobicContact CB-CD1 3.57Å; P1360-I1442 HydrophobicContact CB-CG1 3.72Å; P1360-I1442 HydrophobicContact CB-CG2 4.24Å; P1360-I1442 HydrophobicContact CG-CD1 3.88Å | ||
| 1361 | D | 75.5 | Confident | 77.5 | Confident | 6 Ų | 6 | 23.8 Ų | 23.8 | 3% | 0.032 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -54.9 | -38.8 | 177.1 | -165.6 | 46.7 | 0 | 0 | 0 | 113.7 | K602 L1439 P1440 K1441 H1443 R1450 | K602-D1361 PolarHBondContact NZ-O 3.05Å; D1361-L1439 HydrophobicContact CB-CB 4.49Å; D1361-L1439 HydrophobicContact CB-CD1 4.46Å; D1361-P1440 PolarHBondContact N-O 2.95Å; D1361-P1440 VanDerWaalsContact N-O 3.11Å; D1361-K1441 HydrophobicContact CB-CG 4.39Å; D1361-H1443 IonicContact OD2-CE1 3.92Å; D1361-H1443 PolarHBondContact OD2-CE1 3.21Å; D1361-R1450 VanDerWaalsContact CG-NE 3.27Å; D1361-R1450 VanDerWaalsContact OD1-CD 3.3Å; D1361-R1450 WeakPolarHBondContact OD1-CD 3.48Å; D1361-R1450 IonicContact OD1-CZ 3.91Å; D1361-R1450 IonicContact OD1-NE 2.88Å; D1361-R1450 PolarHBondContact OD1-NE 2.87Å; D1361-R1450 IonicContact OD2-CZ 3.39Å; D1361-R1450 IonicContact OD2-NE 3.6Å; D1361-R1450 PolarHBondContact OD2-NE 2.58Å; D1361-R1450 IonicContact OD2-NH2 3.13Å; D1361-R1450 PolarHBondContact OD2-NH2 3Å |
| 1362 | K | 68.8 | Low | 78.3 | Confident | 62 Ų | 62 | 22.8 Ų | 22.8 | 27% | 0.27 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -128.2 | 156.5 | 176.6 | -57.6 | -163.9 | -176.8 | -164 | 0 | 110.9 | P1360 D1647 | P1360-K1362 VanDerWaalsContact C-N 3.3Å; P1360-K1362 WeakPolarHBondContact CG-O 3.48Å; P1360-K1362 PolarHBondContact O-N 3.38Å; K1362-D1647 IonicContact NZ-OD2 3.54Å; K1362-D1647 PolarHBondContact NZ-OD2 3.11Å |
| 1363 | G | 62.8 | Low | 78.7 | Confident | 40 Ų | 40 | 20 Ų | 20 | 41% | 0.412 | 12% | 0.122 | S | C | . | . | S | Bend | trans | 86.5 | 179.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116 | K693 | K693-G1363 WeakPolarHBondContact CD-O 2.72Å; K693-G1363 WeakPolarHBondContact CE-O 3.41Å; K693-G1363 PolarHBondContact NZ-O 2.87Å |
| 1364 | S | 61.2 | Low | 79.5 | Confident | 39 Ų | 39 | 18 Ų | 18 | 27% | 0.273 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -113.8 | -6.3 | -170.1 | 57.1 | 0 | 0 | 0 | 0 | 117.3 | K693 | K693-S1364 VanDerWaalsContact CE-O 3.32Å; K693-S1364 WeakPolarHBondContact CE-O 3.47Å |
| 1365 | G | 71.2 | Confident | 79.7 | Confident | 16 Ų | 16 | 19.2 Ų | 19.2 | 17% | 0.165 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -74.8 | 169.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | K693 Y1256 P1360 | K693-G1365 WeakPolarHBondContact CE-O 3.46Å; K693-G1365 PolarHBondContact NZ-O 3.46Å; Y1256-G1365 CarbonylContact O-C 3.53Å; Y1256-G1365 WeakPolarHBondContact O-CA 3.32Å; P1360-G1365 WeakPolarHBondContact CD-O 3.37Å |
| 1366 | V | 77.9 | Confident | 79.9 | Confident | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 143.2 | 173.3 | -171.6 | 0 | 0 | 0 | 0 | 109.4 | Y1256 V1257 S1258 L1273 F1277 I1357 V1368 | Y1256-V1366 PolarHBondContact O-N 3.34Å; V1257-V1366 CarbonylContact C-O 3.59Å; S1258-V1366 PolarHBondContact N-O 3.27Å; L1273-V1366 HydrophobicContact CB-CG2 4.34Å; L1273-V1366 HydrophobicContact CD1-CG1 4.42Å; L1273-V1366 HydrophobicContact CD2-CG1 4.26Å; L1273-V1366 HydrophobicContact CD2-CG2 4.35Å; F1277-V1366 HydrophobicContact CD2-CG2 4.11Å; F1277-V1366 HydrophobicContact CE2-CB 4.38Å; F1277-V1366 HydrophobicContact CE2-CG1 4.16Å; F1277-V1366 HydrophobicContact CE2-CG2 3.84Å; F1277-V1366 HydrophobicContact CZ-CG1 4.21Å; I1357-V1366 HydrophobicContact CG2-CG1 3.4Å; V1366-V1368 HydrophobicContact CG1-CG2 3.93Å |
| 1367 | V | 82.1 | Confident | 80.3 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 142.5 | 176.6 | 157.3 | 0 | 0 | 0 | 0 | 107.8 | S1258 L1260 I1357 L1358 P1360 P1440 I1442 | S1258-V1367 WeakPolarHBondContact O-CA 3.41Å; L1260-V1367 HydrophobicContact CD1-CG1 3.14Å; L1260-V1367 HydrophobicContact CG-CG1 4.08Å; I1357-V1367 CarbonylContact C-O 3.6Å; I1357-V1367 WeakPolarHBondContact CA-O 3.3Å; L1358-V1367 CarbonylContact C-O 2.75Å; L1358-V1367 WeakPolarHBondContact CA-O 3.45Å; L1358-V1367 HydrophobicContact CB-CG1 4.39Å; L1358-V1367 PolarHBondContact N-O 2.68Å; L1358-V1367 PolarHBondContact O-N 3.15Å; P1360-V1367 HydrophobicContact CB-CG2 4.03Å; P1360-V1367 VanDerWaalsContact CD-CG2 3.49Å; P1360-V1367 HydrophobicContact CG-CG2 3.79Å; V1367-P1440 HydrophobicContact CG1-CB 4.46Å; V1367-P1440 HydrophobicContact CG1-CG 4.18Å; V1367-I1442 HydrophobicContact CG2-CD1 4.24Å; V1367-I1442 HydrophobicContact CG2-CG2 4.36Å |
| 1368 | V | 84.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 105.8 | -173.1 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | Y700 L706 S1258 L1260 S1261 I1355 I1357 V1366 | Y700-V1368 HydrophobicContact CD1-CG1 4.13Å; Y700-V1368 HydrophobicContact CE1-CG1 3.87Å; L706-V1368 HydrophobicContact CD1-CB 3.26Å; L706-V1368 HydrophobicContact CD1-CG1 3.32Å; L706-V1368 HydrophobicContact CD1-CG2 4.12Å; L706-V1368 WeakPolarHBondContact CD1-O 3.36Å; S1258-V1368 PolarHBondContact O-N 2.84Å; S1258-V1368 VanDerWaalsContact O-N 3.16Å; L1260-V1368 CarbonylContact C-O 3.6Å; L1260-V1368 WeakPolarHBondContact CA-O 3.39Å; L1260-V1368 VanDerWaalsContact CB-O 3.28Å; L1260-V1368 WeakPolarHBondContact CB-O 3.24Å; L1260-V1368 PolarHBondContact N-O 3.04Å; S1261-V1368 WeakPolarHBondContact CB-O 3.45Å; S1261-V1368 PolarHBondContact N-O 3.01Å; I1355-V1368 HydrophobicContact CB-CG1 4.16Å; I1355-V1368 HydrophobicContact CD1-CG1 3.51Å; I1355-V1368 HydrophobicContact CG1-CG1 4.44Å; I1355-V1368 HydrophobicContact CG2-CG1 4.42Å; I1357-V1368 HydrophobicContact CB-CG1 4.32Å; I1357-V1368 HydrophobicContact CB-CG2 3.97Å; I1357-V1368 HydrophobicContact CG1-CB 4.36Å; I1357-V1368 HydrophobicContact CG1-CG1 3.67Å; I1357-V1368 HydrophobicContact CG1-CG2 3.88Å; I1357-V1368 HydrophobicContact CG2-CG2 3.62Å; V1366-V1368 HydrophobicContact CG1-CG2 3.93Å |
| 1369 | I | 85.7 | Confident | 81.1 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | trans | -91.9 | -177.4 | -168.6 | 173.5 | 171.9 | 0 | 0 | 0 | 113.7 | Y700 L1260 S1261 I1355 V1356 L1358 E1373 Y1374 | Y700-I1369 WeakPolarHBondContact CE1-O 3.19Å; Y700-I1369 VanDerWaalsContact CZ-O 3.22Å; Y700-I1369 WeakPolarHBondContact OH-CA 3.41Å; Y700-I1369 VanDerWaalsContact OH-CB 3.24Å; Y700-I1369 WeakPolarHBondContact OH-CB 3.27Å; Y700-I1369 WeakPolarHBondContact OH-CG2 3.3Å; Y700-I1369 PolarHBondContact OH-O 3.1Å; L1260-I1369 HydrophobicContact CB-CB 3.51Å; L1260-I1369 HydrophobicContact CB-CG1 4.16Å; L1260-I1369 HydrophobicContact CD1-CB 3.67Å; L1260-I1369 HydrophobicContact CD1-CD1 4.22Å; L1260-I1369 HydrophobicContact CD1-CG1 4.31Å; L1260-I1369 HydrophobicContact CD1-CG2 4.09Å; L1260-I1369 HydrophobicContact CD2-CD1 4.47Å; L1260-I1369 HydrophobicContact CG-CB 4.14Å; L1260-I1369 CarbonylContact O-C 2.91Å; L1260-I1369 VanDerWaalsContact O-C 3.31Å; L1260-I1369 WeakPolarHBondContact O-CA 3.19Å; S1261-I1369 WeakPolarHBondContact CB-O 2.98Å; I1355-I1369 WeakPolarHBondContact CB-O 3.26Å; I1355-I1369 WeakPolarHBondContact CG2-O 3.32Å; V1356-I1369 HydrophobicContact CG2-CG2 3.56Å; V1356-I1369 PolarHBondContact O-N 3.17Å; L1358-I1369 HydrophobicContact CD1-CG2 3.85Å; L1358-I1369 HydrophobicContact CG-CG2 4.36Å; I1369-E1373 HydrophobicContact CD1-CB 4.39Å; I1369-E1373 HydrophobicContact CD1-CG 4.37Å; I1369-E1373 WeakPolarHBondContact CD1-OE2 3.35Å; I1369-E1373 VanDerWaalsContact CG1-OE2 3.3Å; I1369-E1373 WeakPolarHBondContact CG1-OE2 3.38Å; I1369-Y1374 HydrophobicContact CD1-CD2 4.38Å; I1369-Y1374 HydrophobicContact CG2-CD2 4.18Å; I1369-Y1374 HydrophobicContact CG2-CG 4.43Å | ||
| 1370 | N | 87.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -94.8 | 144.6 | 162.7 | -58.4 | -62.9 | 0 | 0 | 0 | 111.4 | Y700 R793 S794 L796 L1260 S1261 T1262 C1372 Y1374 | Y700-N1370 PolarHBondContact OH-N 3.25Å; Y700-N1370 PolarHBondContact OH-O 3.37Å; Y700-N1370 VanDerWaalsContact OH-O 3.13Å; R793-N1370 HydrophobicContact CB-CB 3.39Å; R793-N1370 HydrophobicContact CG-CB 4.19Å; R793-N1370 WeakPolarHBondContact O-CB 3.3Å; R793-N1370 PolarHBondContact O-ND2 3.42Å; S794-N1370 PolarHBondContact O-ND2 2.84Å; L796-N1370 PolarHBondContact O-ND2 3.03Å; L1260-N1370 PolarHBondContact O-N 2.99Å; L1260-N1370 PolarHBondContact O-ND2 3.43Å; S1261-N1370 VanDerWaalsContact CA-OD1 3.27Å; S1261-N1370 WeakPolarHBondContact CA-OD1 2.99Å; S1261-N1370 VanDerWaalsContact CB-OD1 3.25Å; S1261-N1370 WeakPolarHBondContact CB-OD1 3.39Å; T1262-N1370 WeakPolarHBondContact CB-OD1 3.38Å; T1262-N1370 WeakPolarHBondContact CG2-OD1 3.47Å; T1262-N1370 PolarHBondContact N-OD1 2.87Å; T1262-N1370 PolarHBondContact OG1-OD1 3Å; N1370-C1372 PolarHBondContact O-N 3.41Å; N1370-Y1374 WeakPolarHBondContact O-CB 3.34Å | ||
| 1371 | K | 85.6 | Confident | 81.6 | Confident | 90 Ų | 90 | 31.1 Ų | 31.1 | 39% | 0.391 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.5 | -32.5 | -170.1 | -167.1 | 174 | 177.5 | -173.4 | 0 | 115.7 | Y700 D1354 Y1374 K1375 E1558 | Y700-K1371 HydrophobicContact CE2-CB 3.93Å; Y700-K1371 HydrophobicContact CE2-CG 4.02Å; D1354-K1371 WeakPolarHBondContact O-CB 3.23Å; D1354-K1371 PolarHBondContact O-N 2.97Å; K1371-Y1374 WeakPolarHBondContact O-CB 3.38Å; K1371-K1375 PolarHBondContact O-N 3.22Å; K1371-K1375 VanDerWaalsContact O-N 3.12Å; K1371-E1558 WeakPolarHBondContact CE-OE2 3.44Å; K1371-E1558 IonicContact NZ-OE2 3.54Å |
| 1372 | C | 86 | Confident | 82.2 | Confident | 34 Ų | 34 | 31.1 Ų | 31.1 | 23% | 0.23 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -82.1 | -42.2 | -178.3 | -60.6 | 0 | 0 | 0 | 0 | 115.7 | R793 N1370 Y1374 K1375 D1376 | R793-C1372 HydrophobicContact CG-CB 3.97Å; R793-C1372 PolarHBondContact NH2-SG 2.83Å; N1370-C1372 PolarHBondContact O-N 3.41Å; C1372-Y1374 PolarHBondContact O-N 2.85Å; C1372-Y1374 VanDerWaalsContact O-N 3.11Å; C1372-K1375 CarbonylContact O-C 3.34Å; C1372-K1375 VanDerWaalsContact O-CA 3.3Å; C1372-K1375 WeakPolarHBondContact O-CA 3.25Å; C1372-K1375 VanDerWaalsContact O-CB 3.27Å; C1372-K1375 WeakPolarHBondContact O-CB 3.33Å; C1372-K1375 PolarHBondContact O-N 3.32Å; C1372-D1376 WeakPolarHBondContact O-CB 3.01Å; C1372-D1376 PolarHBondContact O-N 2.88Å |
| 1373 | E | 85.9 | Confident | 82.9 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 2% | 0.023 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -51.8 | -44.2 | 171.5 | -174.6 | -165.2 | -164.9 | 0 | 0 | 110.7 | R791 R793 S794 I1369 K1375 D1376 K1377 | R791-E1373 WeakPolarHBondContact O-CA 3.46Å; R791-E1373 PolarHBondContact O-N 3.05Å; R793-E1373 VanDerWaalsContact C-CB 3.43Å; R793-E1373 HydrophobicContact CB-CB 3.94Å; R793-E1373 WeakPolarHBondContact O-CB 3.47Å; S794-E1373 VanDerWaalsContact CA-OE2 3.24Å; S794-E1373 WeakPolarHBondContact CA-OE2 3.38Å; I1369-E1373 HydrophobicContact CD1-CB 4.39Å; I1369-E1373 HydrophobicContact CD1-CG 4.37Å; I1369-E1373 WeakPolarHBondContact CD1-OE2 3.35Å; I1369-E1373 VanDerWaalsContact CG1-OE2 3.3Å; I1369-E1373 WeakPolarHBondContact CG1-OE2 3.38Å; E1373-K1375 PolarHBondContact O-N 2.97Å; E1373-D1376 PolarHBondContact O-N 3.06Å; E1373-K1377 HydrophobicContact CG-CD 3.83Å; E1373-K1377 HydrophobicContact CG-CG 4.1Å; E1373-K1377 VanDerWaalsContact O-CB 3.3Å; E1373-K1377 WeakPolarHBondContact O-CB 3.43Å; E1373-K1377 PolarHBondContact O-N 3.13Å; E1373-K1377 WeakPolarHBondContact OE1-CE 3.29Å; E1373-K1377 IonicContact OE1-NZ 3.96Å; E1373-K1377 PolarHBondContact OE1-NZ 2.98Å |
| 1374 | Y | 89.6 | Confident | 83.9 | Confident | 1 Ų | 1 | 32 Ų | 32 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.2 | -31.7 | 177.9 | 172.5 | -87.7 | 0 | 0 | 0 | 112 | Y700 V1356 L1358 I1369 N1370 K1371 C1372 M1378 Y1437 G1438 L1449 | Y700-Y1374 HydrophobicContact CE2-CD1 4.19Å; Y700-Y1374 HydrophobicContact CE2-CG 4.39Å; V1356-Y1374 HydrophobicContact CG1-CD1 4.31Å; V1356-Y1374 HydrophobicContact CG2-CD1 3.65Å; V1356-Y1374 HydrophobicContact CG2-CD2 3.32Å; V1356-Y1374 HydrophobicContact CG2-CE1 4.3Å; V1356-Y1374 HydrophobicContact CG2-CE2 4.03Å; V1356-Y1374 HydrophobicContact CG2-CG 3.28Å; L1358-Y1374 HydrophobicContact CD1-CD2 4.02Å; L1358-Y1374 HydrophobicContact CD1-CE2 4.26Å; I1369-Y1374 HydrophobicContact CD1-CD2 4.38Å; I1369-Y1374 HydrophobicContact CG2-CD2 4.18Å; I1369-Y1374 HydrophobicContact CG2-CG 4.43Å; N1370-Y1374 WeakPolarHBondContact O-CB 3.34Å; K1371-Y1374 WeakPolarHBondContact O-CB 3.38Å; C1372-Y1374 PolarHBondContact O-N 2.85Å; C1372-Y1374 VanDerWaalsContact O-N 3.11Å; Y1374-M1378 WeakPolarHBondContact O-CG 3.38Å; Y1374-M1378 WeakPolarHBondContact OH-CG 3.28Å; Y1374-Y1437 WeakPolarHBondContact OH-CA 3.47Å; Y1374-Y1437 WeakPolarHBondContact OH-CB 3.39Å; Y1374-G1438 PolarHBondContact OH-N 3.3Å; Y1374-L1449 HydrophobicContact CD2-CD1 4.48Å; Y1374-L1449 HydrophobicContact CE2-CD1 4.38Å |
| 1375 | K | 86.6 | Confident | 84.8 | Confident | 78 Ų | 78 | 37.1 Ų | 37.1 | 34% | 0.339 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -75.4 | -55.3 | 168.4 | -161.1 | -169.6 | -176.7 | -170.1 | 0 | 110.6 | K1371 C1372 E1373 M1378 L1379 F1557 E1558 | K1371-K1375 PolarHBondContact O-N 3.22Å; K1371-K1375 VanDerWaalsContact O-N 3.12Å; C1372-K1375 CarbonylContact O-C 3.34Å; C1372-K1375 VanDerWaalsContact O-CA 3.3Å; C1372-K1375 WeakPolarHBondContact O-CA 3.25Å; C1372-K1375 VanDerWaalsContact O-CB 3.27Å; C1372-K1375 WeakPolarHBondContact O-CB 3.33Å; C1372-K1375 PolarHBondContact O-N 3.32Å; E1373-K1375 PolarHBondContact O-N 2.97Å; K1375-M1378 CarbonylContact O-C 3.16Å; K1375-M1378 WeakPolarHBondContact O-CA 3.33Å; K1375-M1378 WeakPolarHBondContact O-CB 3.4Å; K1375-M1378 PolarHBondContact O-N 3.35Å; K1375-L1379 HydrophobicContact CD-CD1 4.21Å; K1375-L1379 HydrophobicContact CG-CD1 4.11Å; K1375-L1379 HydrophobicContact CG-CG 4.44Å; K1375-L1379 PolarHBondContact O-N 2.76Å; K1375-F1557 HydrophobicContact CD-CE1 4.31Å; K1375-F1557 HydrophobicContact CG-CE1 3.51Å; K1375-F1557 HydrophobicContact CG-CZ 3.85Å; K1375-F1557 WeakPolarHBondContact O-CZ 3.25Å; K1375-E1558 HydrophobicContact CG-CG 4.38Å |
| 1376 | D | 86.6 | Confident | 85.2 | Confident | 42 Ų | 42 | 39.9 Ų | 39.9 | 23% | 0.225 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.8 | -38.1 | -160.7 | -53.8 | -29.9 | 0 | 0 | 0 | 111.8 | R791 C1372 E1373 M1378 L1379 S1380 | R791-D1376 WeakPolarHBondContact CB-OD2 3.09Å; C1372-D1376 WeakPolarHBondContact O-CB 3.01Å; C1372-D1376 PolarHBondContact O-N 2.88Å; E1373-D1376 PolarHBondContact O-N 3.06Å; D1376-M1378 PolarHBondContact O-N 2.68Å; D1376-L1379 PolarHBondContact O-N 3.4Å; D1376-L1379 VanDerWaalsContact O-N 3.15Å; D1376-S1380 PolarHBondContact O-N 3.16Å |
| 1377 | K | 88.1 | Confident | 85.6 | Confident | 38 Ų | 38 | 40.7 Ų | 40.7 | 17% | 0.165 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.1 | -23.9 | 168.2 | -79.1 | -174.3 | 168.9 | 173.5 | 0 | 114.1 | E1373 I1381 N1446 I1447 L1449 | E1373-K1377 HydrophobicContact CG-CD 3.83Å; E1373-K1377 HydrophobicContact CG-CG 4.1Å; E1373-K1377 VanDerWaalsContact O-CB 3.3Å; E1373-K1377 WeakPolarHBondContact O-CB 3.43Å; E1373-K1377 PolarHBondContact O-N 3.13Å; E1373-K1377 WeakPolarHBondContact OE1-CE 3.29Å; E1373-K1377 IonicContact OE1-NZ 3.96Å; E1373-K1377 PolarHBondContact OE1-NZ 2.98Å; K1377-I1381 WeakPolarHBondContact O-CD1 3.41Å; K1377-I1381 WeakPolarHBondContact O-CG1 2.94Å; K1377-N1446 PolarHBondContact NZ-O 2.82Å; K1377-I1447 PolarHBondContact NZ-O 3.04Å; K1377-L1449 HydrophobicContact CB-CD1 3.59Å; K1377-L1449 HydrophobicContact CB-CG 4.19Å; K1377-L1449 HydrophobicContact CD-CD1 4Å; K1377-L1449 HydrophobicContact CD-CG 4.04Å; K1377-L1449 HydrophobicContact CG-CD1 4.46Å |
| 1378 | M | 90.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -93 | -26.1 | 176.4 | -55.4 | -45.2 | -64.9 | 0 | 0 | 112.4 | Y1374 K1375 D1376 S1380 I1381 L1382 L1436 G1438 L1449 P1451 F1557 | Y1374-M1378 WeakPolarHBondContact O-CG 3.38Å; Y1374-M1378 WeakPolarHBondContact OH-CG 3.28Å; K1375-M1378 CarbonylContact O-C 3.16Å; K1375-M1378 WeakPolarHBondContact O-CA 3.33Å; K1375-M1378 WeakPolarHBondContact O-CB 3.4Å; K1375-M1378 PolarHBondContact O-N 3.35Å; D1376-M1378 PolarHBondContact O-N 2.68Å; M1378-S1380 VanDerWaalsContact C-N 3.32Å; M1378-I1381 HydrophobicContact CE-CD1 3.61Å; M1378-I1381 PolarHBondContact O-N 3.01Å; M1378-I1381 HydrophobicContact SD-CD1 3.88Å; M1378-L1382 WeakPolarHBondContact O-CB 3.47Å; M1378-L1382 VanDerWaalsContact O-CG 3.22Å; M1378-L1382 WeakPolarHBondContact O-CG 3.27Å; M1378-L1382 PolarHBondContact O-N 3.39Å; M1378-L1436 HydrophobicContact CB-CD2 4.1Å; M1378-L1436 HydrophobicContact CE-CD2 3.19Å; M1378-L1436 HydrophobicContact CE-CG 4.42Å; M1378-L1436 HydrophobicContact CG-CD2 4.07Å; M1378-L1436 HydrophobicContact SD-CD2 4.35Å; M1378-G1438 VanDerWaalsContact SD-CA 3.53Å; M1378-L1449 HydrophobicContact CE-CB 4.07Å; M1378-L1449 HydrophobicContact CG-CD1 3.88Å; M1378-L1449 HydrophobicContact SD-CB 3.2Å; M1378-L1449 WeakPolarHBondContact SD-CB 3.48Å; M1378-L1449 HydrophobicContact SD-CD1 3.28Å; M1378-L1449 WeakPolarHBondContact SD-CD1 3.44Å; M1378-L1449 HydrophobicContact SD-CG 3.77Å; M1378-P1451 HydrophobicContact CE-CB 4.39Å; M1378-P1451 HydrophobicContact CE-CG 4.29Å; M1378-F1557 HydrophobicContact CB-CE2 3.49Å; M1378-F1557 VanDerWaalsContact CB-CE2 3.49Å; M1378-F1557 HydrophobicContact CB-CZ 3.88Å |
| 1379 | L | 86.7 | Confident | 85.8 | Confident | 65 Ų | 65 | 44.4 Ų | 44.4 | 34% | 0.34 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.4 | -38.1 | 167 | -67.1 | 173.5 | 0 | 0 | 0 | 110.7 | K1375 D1376 L1382 G1383 F1557 | K1375-L1379 HydrophobicContact CD-CD1 4.21Å; K1375-L1379 HydrophobicContact CG-CD1 4.11Å; K1375-L1379 HydrophobicContact CG-CG 4.44Å; K1375-L1379 PolarHBondContact O-N 2.76Å; D1376-L1379 PolarHBondContact O-N 3.4Å; D1376-L1379 VanDerWaalsContact O-N 3.15Å; L1379-L1382 HydrophobicContact CD2-CD1 3.79Å; L1379-L1382 WeakPolarHBondContact O-CB 3.48Å; L1379-L1382 PolarHBondContact O-N 3.02Å; L1379-G1383 PolarHBondContact O-N 3.2Å; L1379-G1383 VanDerWaalsContact O-N 3.17Å; L1379-F1557 HydrophobicContact CD2-CD1 3.9Å; L1379-F1557 HydrophobicContact CD2-CD2 4.49Å; L1379-F1557 HydrophobicContact CD2-CE1 3.55Å; L1379-F1557 HydrophobicContact CD2-CE2 4.27Å; L1379-F1557 HydrophobicContact CD2-CG 4.43Å; L1379-F1557 HydrophobicContact CD2-CZ 3.8Å; L1379-F1557 HydrophobicContact CG-CE1 3.9Å; L1379-F1557 HydrophobicContact CG-CZ 3.84Å |
| 1380 | S | 85.8 | Confident | 85.7 | Confident | 82 Ų | 82 | 50.2 Ų | 50.2 | 57% | 0.573 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -56 | -49.9 | 169.1 | 165.7 | 0 | 0 | 0 | 0 | 112.3 | D1376 M1378 L1382 G1383 | D1376-S1380 PolarHBondContact O-N 3.16Å; M1378-S1380 VanDerWaalsContact C-N 3.32Å; S1380-L1382 VanDerWaalsContact C-N 3.25Å; S1380-L1382 PolarHBondContact O-N 3.49Å; S1380-G1383 PolarHBondContact O-N 3.1Å |
| 1381 | I | 85.9 | Confident | 85 | Confident | 52 Ų | 52 | 51 Ų | 51 | 27% | 0.267 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.4 | -26.4 | 178 | -61.3 | 162.4 | 0 | 0 | 0 | 112.1 | K1377 M1378 G1383 F1388 | K1377-I1381 WeakPolarHBondContact O-CD1 3.41Å; K1377-I1381 WeakPolarHBondContact O-CG1 2.94Å; M1378-I1381 HydrophobicContact CE-CD1 3.61Å; M1378-I1381 PolarHBondContact O-N 3.01Å; M1378-I1381 HydrophobicContact SD-CD1 3.88Å; I1381-G1383 VanDerWaalsContact C-N 3.27Å; I1381-G1383 PolarHBondContact O-N 3.14Å; I1381-F1388 WeakPolarHBondContact O-CD2 3.43Å |
| 1382 | L | 86.3 | Confident | 84 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -12.4 | 171.9 | -76.7 | 166.4 | 0 | 0 | 0 | 114 | R624 K627 M1378 L1379 S1380 D1384 F1557 F1562 | R624-L1382 HydrophobicContact CB-CD2 4.06Å; R624-L1382 WeakPolarHBondContact O-CD2 3.42Å; K627-L1382 HydrophobicContact CD-CD2 3.96Å; K627-L1382 WeakPolarHBondContact CE-O 3.36Å; K627-L1382 HydrophobicContact CG-CD2 3.8Å; K627-L1382 PolarHBondContact NZ-O 3.49Å; M1378-L1382 WeakPolarHBondContact O-CB 3.47Å; M1378-L1382 VanDerWaalsContact O-CG 3.22Å; M1378-L1382 WeakPolarHBondContact O-CG 3.27Å; M1378-L1382 PolarHBondContact O-N 3.39Å; L1379-L1382 HydrophobicContact CD2-CD1 3.79Å; L1379-L1382 WeakPolarHBondContact O-CB 3.48Å; L1379-L1382 PolarHBondContact O-N 3.02Å; S1380-L1382 VanDerWaalsContact C-N 3.25Å; S1380-L1382 PolarHBondContact O-N 3.49Å; L1382-D1384 VanDerWaalsContact C-N 3.35Å; L1382-D1384 PolarHBondContact O-N 2.76Å; L1382-F1557 HydrophobicContact CD1-CB 4.23Å; L1382-F1557 HydrophobicContact CD1-CD1 4.45Å; L1382-F1557 HydrophobicContact CD1-CD2 3.04Å; L1382-F1557 HydrophobicContact CD1-CE2 3.48Å; L1382-F1557 VanDerWaalsContact CD1-CE2 3.48Å; L1382-F1557 HydrophobicContact CD1-CG 3.7Å; L1382-F1557 HydrophobicContact CD1-CZ 4.33Å; L1382-F1557 HydrophobicContact CG-CD2 4.11Å; L1382-F1557 HydrophobicContact CG-CE2 4.45Å; L1382-F1562 HydrophobicContact CB-CE1 4.35Å; L1382-F1562 HydrophobicContact CD1-CE1 4.13Å; L1382-F1562 HydrophobicContact CD1-CE2 4.03Å; L1382-F1562 HydrophobicContact CD1-CZ 3.65Å; L1382-F1562 HydrophobicContact CD2-CD1 3.91Å; L1382-F1562 HydrophobicContact CD2-CD2 4.38Å; L1382-F1562 HydrophobicContact CD2-CE1 3.82Å; L1382-F1562 HydrophobicContact CD2-CE2 4.36Å; L1382-F1562 HydrophobicContact CD2-CG 4.18Å; L1382-F1562 HydrophobicContact CD2-CZ 4.06Å; L1382-F1562 HydrophobicContact CG-CE1 4.38Å; L1382-F1562 HydrophobicContact CG-CZ 4.38Å |
| 1383 | G | 83.7 | Confident | 82.7 | Confident | 49 Ų | 49 | 53.9 Ų | 53.9 | 51% | 0.505 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -23.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1379 S1380 I1381 Q1385 | L1379-G1383 PolarHBondContact O-N 3.2Å; L1379-G1383 VanDerWaalsContact O-N 3.17Å; S1380-G1383 PolarHBondContact O-N 3.1Å; I1381-G1383 VanDerWaalsContact C-N 3.27Å; I1381-G1383 PolarHBondContact O-N 3.14Å; G1383-Q1385 PolarHBondContact O-N 3.25Å |
| 1384 | D | 83.4 | Confident | 81.1 | Confident | 72 Ų | 72 | 58.3 Ų | 58.3 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | trans | -69.8 | 87.3 | -175.7 | 176.1 | 3.6 | 0 | 0 | 0 | 112.6 | L1382 S1386 K1387 F1388 | L1382-D1384 VanDerWaalsContact C-N 3.35Å; L1382-D1384 PolarHBondContact O-N 2.76Å; D1384-S1386 PolarHBondContact O-N 3.2Å; D1384-S1386 VanDerWaalsContact O-N 3.1Å; D1384-S1386 WeakPolarHBondContact OD1-CB 2.87Å; D1384-S1386 PolarHBondContact OD1-N 2.68Å; D1384-S1386 PolarHBondContact OD1-OG 2.99Å; D1384-K1387 PolarHBondContact O-N 2.79Å; D1384-K1387 VanDerWaalsContact OD2-CG 3.31Å; D1384-K1387 WeakPolarHBondContact OD2-CG 3.4Å; D1384-F1388 HydrophobicContact CB-CD2 3.93Å; D1384-F1388 HydrophobicContact CB-CE2 4.38Å; D1384-F1388 WeakPolarHBondContact O-CA 3.44Å; D1384-F1388 WeakPolarHBondContact O-CB 3.48Å; D1384-F1388 PolarHBondContact O-N 2.83Å | ||
| 1385 | Q | 80.2 | Confident | 79.4 | Confident | 145 Ų | 145 | 63.5 Ų | 63.5 | 68% | 0.678 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.3 | -176.6 | -60.4 | -161.5 | 23 | 0 | 0 | 114.2 | G1383 K1387 F1388 L1389 | G1383-Q1385 PolarHBondContact O-N 3.25Å; Q1385-K1387 VanDerWaalsContact C-N 3.34Å; Q1385-K1387 PolarHBondContact O-N 3.03Å; Q1385-F1388 WeakPolarHBondContact CA-O 3.41Å; Q1385-F1388 PolarHBondContact O-N 2.82Å; Q1385-L1389 HydrophobicContact CB-CD2 4.28Å; Q1385-L1389 WeakPolarHBondContact O-CD2 3.32Å |
| 1386 | S | 81.3 | Confident | 78.1 | Confident | 75 Ų | 75 | 60.9 Ų | 60.9 | 52% | 0.524 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -39.9 | 179.9 | 77.2 | 0 | 0 | 0 | 0 | 112.1 | D1384 V1565 | D1384-S1386 PolarHBondContact O-N 3.2Å; D1384-S1386 VanDerWaalsContact O-N 3.1Å; D1384-S1386 WeakPolarHBondContact OD1-CB 2.87Å; D1384-S1386 PolarHBondContact OD1-N 2.68Å; D1384-S1386 PolarHBondContact OD1-OG 2.99Å; S1386-V1565 WeakPolarHBondContact O-CG2 3.48Å |
| 1387 | K | 85.4 | Confident | 77.2 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 8% | 0.083 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -30.8 | 175.1 | -49.9 | -56.7 | 175.3 | 170.2 | 0 | 110.9 | D1384 Q1385 T1513 N1514 Q1564 V1565 D1566 | D1384-K1387 PolarHBondContact O-N 2.79Å; D1384-K1387 VanDerWaalsContact OD2-CG 3.31Å; D1384-K1387 WeakPolarHBondContact OD2-CG 3.4Å; Q1385-K1387 VanDerWaalsContact C-N 3.34Å; Q1385-K1387 PolarHBondContact O-N 3.03Å; K1387-T1513 WeakPolarHBondContact CD-O 2.94Å; K1387-T1513 WeakPolarHBondContact CE-O 2.92Å; K1387-T1513 PolarHBondContact NZ-O 2.96Å; K1387-N1514 PolarHBondContact NZ-OD1 3.5Å; K1387-Q1564 VanDerWaalsContact O-CA 3.24Å; K1387-Q1564 WeakPolarHBondContact O-CA 3.28Å; K1387-V1565 PolarHBondContact O-N 2.74Å; K1387-D1566 HydrophobicContact CD-CB 4.18Å; K1387-D1566 WeakPolarHBondContact CD-OD2 3.42Å; K1387-D1566 IonicContact NZ-OD2 2.77Å; K1387-D1566 PolarHBondContact NZ-OD2 3.35Å |
| 1388 | F | 87.2 | Confident | 76.6 | Confident | 7 Ų | 7 | 62.8 Ų | 62.8 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 105.4 | -151.5 | -55.7 | -34.2 | 0 | 0 | 0 | 113.4 | S625 N626 K627 I1381 D1384 Q1385 T1513 Q1564 | S625-F1388 WeakPolarHBondContact O-CE1 3.45Å; S625-F1388 WeakPolarHBondContact O-CE2 3.25Å; S625-F1388 WeakPolarHBondContact O-CZ 3.34Å; N626-F1388 HydrophobicContact CB-CE1 4.36Å; K627-F1388 HydrophobicContact CB-CB 4.23Å; K627-F1388 HydrophobicContact CB-CD1 3.96Å; K627-F1388 HydrophobicContact CB-CG 4.41Å; K627-F1388 VanDerWaalsContact CD-C 3.5Å; K627-F1388 HydrophobicContact CD-CB 3.37Å; K627-F1388 HydrophobicContact CD-CG 4.25Å; K627-F1388 VanDerWaalsContact CE-CB 3.41Å; K627-F1388 HydrophobicContact CG-CB 3.66Å; K627-F1388 HydrophobicContact CG-CD1 4.03Å; K627-F1388 HydrophobicContact CG-CG 4Å; K627-F1388 PolarHBondContact NZ-O 3.22Å; I1381-F1388 WeakPolarHBondContact O-CD2 3.43Å; D1384-F1388 HydrophobicContact CB-CD2 3.93Å; D1384-F1388 HydrophobicContact CB-CE2 4.38Å; D1384-F1388 WeakPolarHBondContact O-CA 3.44Å; D1384-F1388 WeakPolarHBondContact O-CB 3.48Å; D1384-F1388 PolarHBondContact O-N 2.83Å; Q1385-F1388 WeakPolarHBondContact CA-O 3.41Å; Q1385-F1388 PolarHBondContact O-N 2.82Å; F1388-T1513 HydrophobicContact CZ-CG2 3.86Å; F1388-Q1564 HydrophobicContact CD1-CB 3.96Å; F1388-Q1564 HydrophobicContact CD1-CG 4.37Å; F1388-Q1564 HydrophobicContact CE1-CB 4.26Å; F1388-Q1564 HydrophobicContact CE1-CG 4.3Å |
| 1389 | L | 84.3 | Confident | 75.8 | Confident | 71 Ų | 71 | 72 Ų | 72 | 37% | 0.372 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 146.4 | 174.5 | -57.7 | -178.5 | 0 | 0 | 0 | 114 | K627 Q1385 F1562 R1563 V1565 | K627-L1389 WeakPolarHBondContact CD-O 3.47Å; Q1385-L1389 HydrophobicContact CB-CD2 4.28Å; Q1385-L1389 WeakPolarHBondContact O-CD2 3.32Å; L1389-F1562 CarbonylContact O-C 3.41Å; L1389-F1562 WeakPolarHBondContact O-CA 3.4Å; L1389-R1563 PolarHBondContact N-O 3.22Å; L1389-R1563 PolarHBondContact O-N 3.19Å; L1389-V1565 HydrophobicContact CD1-CG1 3.76Å; L1389-V1565 HydrophobicContact CG-CG1 4.1Å |
| 1390 | Q | 82.8 | Confident | 75.5 | Confident | 123 Ų | 123 | 76 Ų | 76 | 58% | 0.575 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 133.9 | 167.2 | -163.9 | 159.7 | -21.7 | 0 | 0 | 109.6 | Y1561 F1562 | Q1390-Y1561 WeakPolarHBondContact CG-O 3.27Å; Q1390-F1562 VanDerWaalsContact CA-CD1 3.43Å; Q1390-F1562 HydrophobicContact CB-CD1 3.65Å; Q1390-F1562 HydrophobicContact CB-CE1 3.57Å; Q1390-F1562 HydrophobicContact CB-CZ 4.4Å; Q1390-F1562 VanDerWaalsContact CD-CE1 3.49Å; Q1390-F1562 VanDerWaalsContact CD-CZ 3.43Å; Q1390-F1562 HydrophobicContact CG-CD1 3.62Å; Q1390-F1562 HydrophobicContact CG-CE1 3.4Å; Q1390-F1562 HydrophobicContact CG-CE2 4.25Å; Q1390-F1562 HydrophobicContact CG-CG 4.2Å; Q1390-F1562 HydrophobicContact CG-CZ 3.74Å |
| 1391 | D | 73.7 | Confident | 75.4 | Confident | 17 Ų | 17 | 72.7 Ų | 72.7 | 9% | 0.091 | 39% | 0.392 | C | S | . | . | trans | -111.2 | 127.4 | -173.9 | -130.7 | -11.9 | 0 | 0 | 0 | 106.6 | I1396 Q1554 Y1561 R1563 | D1391-I1396 HydrophobicContact CB-CD1 4.33Å; D1391-Q1554 WeakPolarHBondContact OD2-CB 3.42Å; D1391-Q1554 PolarHBondContact OD2-NE2 3.27Å; D1391-Y1561 PolarHBondContact N-O 3.02Å; D1391-Y1561 CarbonylContact O-C 3.53Å; D1391-Y1561 VanDerWaalsContact O-CB 3.23Å; D1391-Y1561 WeakPolarHBondContact O-CB 3.47Å; D1391-R1563 VanDerWaalsContact CG-NH2 3.26Å; D1391-R1563 IonicContact OD1-CZ 2.78Å; D1391-R1563 IonicContact OD1-NE 2.79Å; D1391-R1563 IonicContact OD1-NH2 2.81Å; D1391-R1563 PolarHBondContact OD1-NH2 2.44Å; D1391-R1563 IonicContact OD2-CZ 3.55Å; D1391-R1563 VanDerWaalsContact OD2-CZ 3.31Å; D1391-R1563 IonicContact OD2-NE 3.45Å; D1391-R1563 PolarHBondContact OD2-NE 3.24Å; D1391-R1563 IonicContact OD2-NH2 2.6Å; D1391-R1563 PolarHBondContact OD2-NH2 2.91Å | ||
| 1392 | V | 63.5 | Low | 75.2 | Confident | 108 Ų | 108 | 72 Ų | 72 | 66% | 0.655 | 39% | 0.388 | S | S | * | . | trans | -69 | 139.4 | 172.3 | -174 | 0 | 0 | 0 | 0 | 108.2 | S1394 N1395 | V1392-S1394 PolarHBondContact O-N 3.45Å; V1392-N1395 PolarHBondContact O-N 3.31Å | ||
| 1393 | S | 58.7 | Low | 74.9 | Confident | 76 Ų | 76 | 75.4 Ų | 75.4 | 53% | 0.531 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -54.8 | -25.1 | -167.3 | 56.2 | 0 | 0 | 0 | 0 | 115.4 | N1395 Y1561 | S1393-N1395 VanDerWaalsContact C-N 3.27Å; S1393-N1395 PolarHBondContact O-N 3.3Å; S1393-Y1561 VanDerWaalsContact CB-CD2 3.44Å |
| 1394 | S | 53 | Low | 75 | Confident | 99 Ų | 99 | 79.6 Ų | 79.6 | 69% | 0.692 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -61 | -26.7 | 180 | 50.1 | 0 | 0 | 0 | 0 | 114.6 | V1392 I1396 | V1392-S1394 PolarHBondContact O-N 3.45Å; S1394-I1396 PolarHBondContact O-N 3.06Å |
| 1395 | N | 53.8 | Low | 75.3 | Confident | 110 Ų | 110 | 76.2 Ų | 76.2 | 59% | 0.588 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -92.4 | 13.5 | -168.3 | -100.9 | -31.3 | 0 | 0 | 0 | 115.8 | V1392 S1393 Q1554 | V1392-N1395 PolarHBondContact O-N 3.31Å; S1393-N1395 VanDerWaalsContact C-N 3.27Å; S1393-N1395 PolarHBondContact O-N 3.3Å; N1395-Q1554 PolarHBondContact O-NE2 3.46Å |
| 1396 | I | 58.9 | Low | 75.6 | Confident | 23 Ų | 23 | 74.3 Ų | 74.3 | 12% | 0.118 | 38% | 0.383 | C | S | . | . | trans | -117.3 | 91.7 | -170.1 | -58.4 | 172.6 | 0 | 0 | 0 | 112.3 | D1391 S1394 L1433 Q1554 Y1561 | D1391-I1396 HydrophobicContact CB-CD1 4.33Å; S1394-I1396 PolarHBondContact O-N 3.06Å; I1396-L1433 HydrophobicContact CG2-CD1 3.56Å; I1396-L1433 HydrophobicContact CG2-CD2 3.65Å; I1396-L1433 HydrophobicContact CG2-CG 4.18Å; I1396-Q1554 HydrophobicContact CD1-CB 4.2Å; I1396-Q1554 HydrophobicContact CG1-CB 4.15Å; I1396-Y1561 HydrophobicContact CD1-CD1 3.45Å; I1396-Y1561 VanDerWaalsContact CD1-CD1 3.45Å; I1396-Y1561 HydrophobicContact CD1-CE1 4.44Å; I1396-Y1561 HydrophobicContact CD1-CG 3.87Å | ||
| 1397 | N | 68.5 | Low | 75.9 | Confident | 93 Ų | 93 | 73.4 Ų | 73.4 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | trans | -102.6 | 92.3 | -180 | -169.5 | -32.5 | 0 | 0 | 0 | 112.5 | R1399 K1400 | N1397-R1399 VanDerWaalsContact C-N 3.31Å; N1397-R1399 PolarHBondContact O-N 3.03Å; N1397-R1399 PolarHBondContact OD1-N 3.11Å; N1397-K1400 HydrophobicContact CB-CB 4.07Å; N1397-K1400 WeakPolarHBondContact O-CB 3.26Å; N1397-K1400 PolarHBondContact O-N 3.45Å; N1397-K1400 PolarHBondContact OD1-N 2.98Å | ||
| 1398 | V | 74.9 | Confident | 76.2 | Confident | 26 Ų | 26 | 73.3 Ų | 73.3 | 16% | 0.158 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.2 | -38.5 | -179.8 | -163.8 | 0 | 0 | 0 | 0 | 112.6 | K1400 L1401 E1402 S1431 L1433 P1459 | V1398-K1400 VanDerWaalsContact C-N 3.33Å; V1398-K1400 PolarHBondContact O-N 3.35Å; V1398-L1401 PolarHBondContact O-N 3.3Å; V1398-L1401 VanDerWaalsContact O-N 3.14Å; V1398-E1402 PolarHBondContact O-N 3.33Å; V1398-S1431 VanDerWaalsContact CG1-CB 3.41Å; V1398-L1433 HydrophobicContact CG2-CD1 4.23Å; V1398-L1433 HydrophobicContact CG2-CD2 3.71Å; V1398-L1433 HydrophobicContact CG2-CG 3.64Å; V1398-P1459 HydrophobicContact CG1-CG 3.42Å; V1398-P1459 VanDerWaalsContact CG1-CG 3.42Å; V1398-P1459 VanDerWaalsContact O-CG 3.28Å; V1398-P1459 WeakPolarHBondContact O-CG 3.36Å |
| 1399 | R | 74.7 | Confident | 76.2 | Confident | 194 Ų | 194 | 73 Ų | 73 | 73% | 0.732 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.1 | -35.7 | 179.4 | -63.5 | -177.1 | -176.2 | 176.6 | 2 | 111.8 | N1397 L1401 E1402 S1403 | N1397-R1399 VanDerWaalsContact C-N 3.31Å; N1397-R1399 PolarHBondContact O-N 3.03Å; N1397-R1399 PolarHBondContact OD1-N 3.11Å; R1399-L1401 PolarHBondContact O-N 3.08Å; R1399-E1402 PolarHBondContact O-N 3.45Å; R1399-E1402 VanDerWaalsContact O-N 3.12Å; R1399-S1403 PolarHBondContact O-N 2.92Å; R1399-S1403 PolarHBondContact O-OG 3.24Å |
| 1400 | K | 79.6 | Confident | 76.3 | Confident | 148 Ų | 148 | 73 Ų | 73 | 64% | 0.643 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.6 | -36 | 174.6 | -168.1 | 172.3 | -176.1 | 174.7 | 0 | 111.1 | N1397 V1398 R1404 | N1397-K1400 HydrophobicContact CB-CB 4.07Å; N1397-K1400 WeakPolarHBondContact O-CB 3.26Å; N1397-K1400 PolarHBondContact O-N 3.45Å; N1397-K1400 PolarHBondContact OD1-N 2.98Å; V1398-K1400 VanDerWaalsContact C-N 3.33Å; V1398-K1400 PolarHBondContact O-N 3.35Å; K1400-R1404 WeakPolarHBondContact O-CG 3.06Å; K1400-R1404 PolarHBondContact O-N 2.96Å |
| 1401 | L | 83.3 | Confident | 76.6 | Confident | 14 Ų | 14 | 72 Ų | 72 | 7% | 0.073 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -76.6 | -32.3 | 174.5 | -169.2 | 67.2 | 0 | 0 | 0 | 112.3 | Q629 V1398 R1399 R1404 V1405 P1459 T1460 L1548 | Q629-L1401 HydrophobicContact CB-CD2 4.47Å; Q629-L1401 HydrophobicContact CG-CD2 4.14Å; V1398-L1401 PolarHBondContact O-N 3.3Å; V1398-L1401 VanDerWaalsContact O-N 3.14Å; R1399-L1401 PolarHBondContact O-N 3.08Å; L1401-R1404 PolarHBondContact O-N 3.46Å; L1401-V1405 VanDerWaalsContact O-CG2 3.32Å; L1401-V1405 WeakPolarHBondContact O-CG2 3.19Å; L1401-V1405 PolarHBondContact O-N 2.82Å; L1401-P1459 VanDerWaalsContact C-CB 3.5Å; L1401-P1459 HydrophobicContact CB-CB 3.87Å; L1401-P1459 HydrophobicContact CB-CG 3.92Å; L1401-P1459 HydrophobicContact CD2-CB 4Å; L1401-P1459 HydrophobicContact CD2-CG 4.07Å; L1401-P1459 HydrophobicContact CG-CB 3.73Å; L1401-P1459 HydrophobicContact CG-CG 4.13Å; L1401-T1460 HydrophobicContact CD1-CG2 3.88Å; L1401-T1460 HydrophobicContact CD2-CG2 3.68Å; L1401-T1460 HydrophobicContact CG-CG2 3.72Å; L1401-L1548 HydrophobicContact CD1-CD1 3.95Å |
| 1402 | E | 82 | Confident | 77.4 | Confident | 38 Ų | 38 | 71.1 Ų | 71.1 | 18% | 0.178 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.8 | -46 | 171.1 | -71.3 | -172.1 | 129.4 | 0 | 0 | 110.9 | V1398 R1399 R1404 V1405 K1406 P1428 S1429 G1430 S1431 P1459 | V1398-E1402 PolarHBondContact O-N 3.33Å; R1399-E1402 PolarHBondContact O-N 3.45Å; R1399-E1402 VanDerWaalsContact O-N 3.12Å; E1402-R1404 PolarHBondContact O-N 3.04Å; E1402-V1405 PolarHBondContact O-N 3.02Å; E1402-K1406 WeakPolarHBondContact O-CB 3.29Å; E1402-K1406 PolarHBondContact O-N 3.13Å; E1402-P1428 HydrophobicContact CB-CG 4.22Å; E1402-P1428 HydrophobicContact CG-CB 4.27Å; E1402-P1428 HydrophobicContact CG-CG 4.16Å; E1402-S1429 WeakPolarHBondContact OE1-CA 3.37Å; E1402-G1430 PolarHBondContact OE1-N 3.2Å; E1402-S1431 VanDerWaalsContact CD-CB 3.45Å; E1402-S1431 WeakPolarHBondContact CG-OG 3.3Å; E1402-S1431 WeakPolarHBondContact OE1-CB 3.24Å; E1402-S1431 PolarHBondContact OE1-N 2.85Å; E1402-S1431 VanDerWaalsContact OE1-N 3.17Å; E1402-S1431 PolarHBondContact OE1-OG 2.93Å; E1402-P1459 HydrophobicContact CB-CB 4.33Å; E1402-P1459 HydrophobicContact CG-CB 3.73Å; E1402-P1459 HydrophobicContact CG-CG 3.75Å |
| 1403 | S | 81 | Confident | 78.2 | Confident | 77 Ų | 77 | 67.9 Ų | 67.9 | 54% | 0.538 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 177.1 | -64.4 | 0 | 0 | 0 | 0 | 112.3 | R1399 V1405 S1407 | R1399-S1403 PolarHBondContact O-N 2.92Å; R1399-S1403 PolarHBondContact O-OG 3.24Å; S1403-V1405 VanDerWaalsContact C-N 3.32Å; S1403-V1405 PolarHBondContact O-N 2.73Å; S1403-S1407 WeakPolarHBondContact O-CB 2.99Å; S1403-S1407 PolarHBondContact O-N 2.84Å; S1403-S1407 PolarHBondContact O-OG 3.36Å |
| 1404 | R | 86 | Confident | 79.4 | Confident | 137 Ų | 137 | 73.2 Ų | 73.2 | 52% | 0.517 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.6 | -33 | 175 | -73.2 | -179.6 | 78.2 | -173.9 | 4 | 113 | K1400 L1401 E1402 S1407 N1408 L1548 | K1400-R1404 WeakPolarHBondContact O-CG 3.06Å; K1400-R1404 PolarHBondContact O-N 2.96Å; L1401-R1404 PolarHBondContact O-N 3.46Å; E1402-R1404 PolarHBondContact O-N 3.04Å; R1404-S1407 PolarHBondContact O-OG 2.73Å; R1404-N1408 PolarHBondContact O-N 2.78Å; R1404-N1408 PolarHBondContact O-ND2 3.4Å; R1404-L1548 HydrophobicContact CB-CD1 3.96Å |
| 1405 | V | 88.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -74.3 | -50.2 | 176.3 | 172 | 0 | 0 | 0 | 0 | 110.4 | L1401 E1402 S1403 S1407 N1408 L1409 P1428 T1460 L1463 | L1401-V1405 VanDerWaalsContact O-CG2 3.32Å; L1401-V1405 WeakPolarHBondContact O-CG2 3.19Å; L1401-V1405 PolarHBondContact O-N 2.82Å; E1402-V1405 PolarHBondContact O-N 3.02Å; S1403-V1405 VanDerWaalsContact C-N 3.32Å; S1403-V1405 PolarHBondContact O-N 2.73Å; V1405-S1407 VanDerWaalsContact C-N 3.31Å; V1405-S1407 PolarHBondContact O-N 3.41Å; V1405-N1408 PolarHBondContact O-N 3.09Å; V1405-L1409 HydrophobicContact CG1-CD1 3.79Å; V1405-L1409 HydrophobicContact CG1-CG 4.3Å; V1405-L1409 WeakPolarHBondContact O-CG 3.49Å; V1405-L1409 PolarHBondContact O-N 3.24Å; V1405-P1428 HydrophobicContact CB-CG 4.28Å; V1405-P1428 HydrophobicContact CG1-CG 4.07Å; V1405-T1460 HydrophobicContact CG2-CG2 3.47Å; V1405-T1460 VanDerWaalsContact CG2-CG2 3.47Å; V1405-L1463 HydrophobicContact CG1-CD2 3.93Å |
| 1406 | K | 86.4 | Confident | 82.2 | Confident | 105 Ų | 105 | 74.4 Ų | 74.4 | 46% | 0.457 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.2 | -40.4 | 179.1 | -172.2 | -174.7 | 174.5 | -167.2 | 0 | 112 | E1402 L1409 L1410 F1423 | E1402-K1406 WeakPolarHBondContact O-CB 3.29Å; E1402-K1406 PolarHBondContact O-N 3.13Å; K1406-L1409 PolarHBondContact O-N 3.06Å; K1406-L1410 HydrophobicContact CG-CD1 4.47Å; K1406-L1410 WeakPolarHBondContact O-CG 3.37Å; K1406-L1410 PolarHBondContact O-N 3.24Å; K1406-F1423 HydrophobicContact CG-CZ 4.48Å |
| 1407 | S | 88.7 | Confident | 83.4 | Confident | 57 Ų | 57 | 74.6 Ų | 74.6 | 40% | 0.399 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 177.8 | 66.2 | 0 | 0 | 0 | 0 | 112.8 | S1403 R1404 V1405 L1410 K1411 | S1403-S1407 WeakPolarHBondContact O-CB 2.99Å; S1403-S1407 PolarHBondContact O-N 2.84Å; S1403-S1407 PolarHBondContact O-OG 3.36Å; R1404-S1407 PolarHBondContact O-OG 2.73Å; V1405-S1407 VanDerWaalsContact C-N 3.31Å; V1405-S1407 PolarHBondContact O-N 3.41Å; S1407-L1410 PolarHBondContact O-N 3.14Å; S1407-K1411 PolarHBondContact O-N 3.31Å; S1407-K1411 VanDerWaalsContact O-N 3.07Å |
| 1408 | N | 90.2 | Very high | 84.2 | Confident | 17 Ų | 17 | 70.5 Ų | 70.5 | 9% | 0.091 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -74.2 | -30.4 | 176.6 | -74 | -56.9 | 0 | 0 | 0 | 113 | R1404 V1405 K1411 L1412 F1541 L1545 | R1404-N1408 PolarHBondContact O-N 2.78Å; R1404-N1408 PolarHBondContact O-ND2 3.4Å; V1405-N1408 PolarHBondContact O-N 3.09Å; N1408-K1411 WeakPolarHBondContact O-CB 3.16Å; N1408-K1411 PolarHBondContact O-N 3.29Å; N1408-L1412 PolarHBondContact O-N 3.03Å; N1408-F1541 HydrophobicContact CB-CZ 4.41Å; N1408-F1541 WeakPolarHBondContact OD1-CE2 3.5Å; N1408-L1545 HydrophobicContact CB-CD2 3.87Å |
| 1409 | L | 88.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66 | -37.3 | 168.4 | -69.8 | 172.9 | 0 | 0 | 0 | 112.3 | V1405 K1406 K1411 L1412 L1413 I1418 F1423 L1426 L1463 | V1405-L1409 HydrophobicContact CG1-CD1 3.79Å; V1405-L1409 HydrophobicContact CG1-CG 4.3Å; V1405-L1409 WeakPolarHBondContact O-CG 3.49Å; V1405-L1409 PolarHBondContact O-N 3.24Å; K1406-L1409 PolarHBondContact O-N 3.06Å; L1409-K1411 VanDerWaalsContact C-N 3.33Å; L1409-L1412 HydrophobicContact CD2-CD1 4.37Å; L1409-L1412 PolarHBondContact O-N 3.25Å; L1409-L1413 WeakPolarHBondContact O-CB 3.33Å; L1409-L1413 PolarHBondContact O-N 3.38Å; L1409-I1418 HydrophobicContact CD2-CD1 4.16Å; L1409-F1423 HydrophobicContact CB-CD2 3.83Å; L1409-F1423 HydrophobicContact CB-CE2 3.66Å; L1409-L1426 VanDerWaalsContact CD1-C 3.45Å; L1409-L1426 HydrophobicContact CD1-CB 3.79Å; L1409-L1426 VanDerWaalsContact CD1-O 3.29Å; L1409-L1426 WeakPolarHBondContact CD1-O 3.33Å; L1409-L1426 HydrophobicContact CD2-CB 3.53Å; L1409-L1426 HydrophobicContact CD2-CD1 3.53Å; L1409-L1426 HydrophobicContact CD2-CG 4.16Å; L1409-L1426 HydrophobicContact CG-CB 4.3Å; L1409-L1463 HydrophobicContact CD2-CB 4.16Å; L1409-L1463 HydrophobicContact CD2-CD1 3.94Å; L1409-L1463 HydrophobicContact CD2-CD2 4.48Å; L1409-L1463 HydrophobicContact CD2-CG 4.39Å |
| 1410 | L | 85.5 | Confident | 84.7 | Confident | 72 Ų | 72 | 69 Ų | 69 | 38% | 0.377 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.4 | -32.9 | 172.7 | -72.6 | 168.4 | 0 | 0 | 0 | 112.3 | K1406 S1407 L1413 K1414 F1423 | K1406-L1410 HydrophobicContact CG-CD1 4.47Å; K1406-L1410 WeakPolarHBondContact O-CG 3.37Å; K1406-L1410 PolarHBondContact O-N 3.24Å; S1407-L1410 PolarHBondContact O-N 3.14Å; L1410-L1413 HydrophobicContact CD2-CD2 4.41Å; L1410-K1414 WeakPolarHBondContact O-CG 3.36Å; L1410-K1414 PolarHBondContact O-N 2.91Å; L1410-F1423 HydrophobicContact CD2-CE2 3.69Å; L1410-F1423 HydrophobicContact CD2-CZ 3.69Å; L1410-F1423 HydrophobicContact CG-CE2 3.81Å; L1410-F1423 HydrophobicContact CG-CZ 4.01Å |
| 1411 | K | 89.4 | Confident | 84.3 | Confident | 100 Ų | 100 | 69.2 Ų | 69.2 | 44% | 0.435 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.4 | -50.1 | 169 | -69 | 179.7 | 179.6 | 179.5 | 0 | 111.4 | S1407 N1408 L1409 L1413 K1414 M1415 F1541 | S1407-K1411 PolarHBondContact O-N 3.31Å; S1407-K1411 VanDerWaalsContact O-N 3.07Å; N1408-K1411 WeakPolarHBondContact O-CB 3.16Å; N1408-K1411 PolarHBondContact O-N 3.29Å; L1409-K1411 VanDerWaalsContact C-N 3.33Å; K1411-L1413 VanDerWaalsContact C-N 3.29Å; K1411-L1413 PolarHBondContact O-N 3.24Å; K1411-K1414 PolarHBondContact O-N 2.97Å; K1411-K1414 VanDerWaalsContact O-N 3.13Å; K1411-M1415 VanDerWaalsContact O-CG 3.29Å; K1411-M1415 WeakPolarHBondContact O-CG 3.44Å; K1411-M1415 PolarHBondContact O-N 3.35Å; K1411-F1541 HydrophobicContact CB-CE1 4.05Å; K1411-F1541 HydrophobicContact CB-CZ 3.7Å; K1411-F1541 HydrophobicContact CD-CE1 4.46Å; K1411-F1541 HydrophobicContact CD-CE2 3.69Å; K1411-F1541 HydrophobicContact CD-CZ 3.65Å; K1411-F1541 HydrophobicContact CG-CZ 4.35Å |
| 1412 | L | 89.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.7 | -36.2 | 178.6 | -71.3 | 168.8 | 0 | 0 | 0 | 113 | N1408 L1409 M1415 N1416 V1417 I1418 L1463 W1466 I1537 F1541 L1545 | N1408-L1412 PolarHBondContact O-N 3.03Å; L1409-L1412 HydrophobicContact CD2-CD1 4.37Å; L1409-L1412 PolarHBondContact O-N 3.25Å; L1412-M1415 PolarHBondContact O-N 3.07Å; L1412-N1416 PolarHBondContact O-N 3.03Å; L1412-V1417 HydrophobicContact CD2-CB 4.14Å; L1412-V1417 HydrophobicContact CD2-CG1 4.34Å; L1412-V1417 HydrophobicContact CD2-CG2 4.35Å; L1412-V1417 PolarHBondContact O-N 2.76Å; L1412-I1418 HydrophobicContact CB-CD1 3.96Å; L1412-I1418 HydrophobicContact CB-CG1 4.03Å; L1412-L1463 HydrophobicContact CD1-CD1 4.17Å; L1412-W1466 HydrophobicContact CD1-CH2 3.96Å; L1412-W1466 HydrophobicContact CD1-CZ3 3.71Å; L1412-W1466 HydrophobicContact CD2-CH2 4.09Å; L1412-I1537 HydrophobicContact CD2-CD1 3.96Å; L1412-I1537 HydrophobicContact CD2-CG1 4.2Å; L1412-F1541 HydrophobicContact CD2-CE1 3.82Å; L1412-F1541 HydrophobicContact CG-CE1 4.05Å; L1412-F1541 HydrophobicContact CG-CZ 4.39Å; L1412-L1545 HydrophobicContact CD1-CD1 4.12Å; L1412-L1545 HydrophobicContact CD2-CD1 4.13Å; L1412-L1545 HydrophobicContact CG-CD1 4.41Å |
| 1413 | L | 80.9 | Confident | 84.1 | Confident | 39 Ų | 39 | 70.3 Ų | 70.3 | 20% | 0.204 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65 | -47.3 | 172.6 | -172.3 | 82.5 | 0 | 0 | 0 | 111.2 | L1409 L1410 K1411 M1415 N1416 I1418 F1423 | L1409-L1413 WeakPolarHBondContact O-CB 3.33Å; L1409-L1413 PolarHBondContact O-N 3.38Å; L1410-L1413 HydrophobicContact CD2-CD2 4.41Å; K1411-L1413 VanDerWaalsContact C-N 3.29Å; K1411-L1413 PolarHBondContact O-N 3.24Å; L1413-M1415 PolarHBondContact O-N 3.27Å; L1413-N1416 PolarHBondContact O-N 3.44Å; L1413-I1418 HydrophobicContact CB-CD1 4.49Å; L1413-I1418 HydrophobicContact CB-CG1 4.17Å; L1413-I1418 HydrophobicContact CD1-CG1 4.32Å; L1413-F1423 HydrophobicContact CB-CD2 4.5Å; L1413-F1423 HydrophobicContact CD1-CB 4.06Å |
| 1414 | K | 84.3 | Confident | 83.9 | Confident | 188 Ų | 188 | 71.5 Ų | 71.5 | 82% | 0.817 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.1 | -27.4 | 176.2 | -78.7 | -173.5 | 173.4 | -164.4 | 0 | 113.5 | L1410 K1411 N1416 | L1410-K1414 WeakPolarHBondContact O-CG 3.36Å; L1410-K1414 PolarHBondContact O-N 2.91Å; K1411-K1414 PolarHBondContact O-N 2.97Å; K1411-K1414 VanDerWaalsContact O-N 3.13Å; K1414-N1416 VanDerWaalsContact C-N 3.3Å |
| 1415 | M | 84.6 | Confident | 83.5 | Confident | 84 Ų | 84 | 69.5 Ų | 69.5 | 41% | 0.414 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 6.1 | 176.3 | -63.5 | 171.6 | 77.8 | 0 | 0 | 112.7 | K1411 L1412 L1413 V1417 P1538 F1541 | K1411-M1415 VanDerWaalsContact O-CG 3.29Å; K1411-M1415 WeakPolarHBondContact O-CG 3.44Å; K1411-M1415 PolarHBondContact O-N 3.35Å; L1412-M1415 PolarHBondContact O-N 3.07Å; L1413-M1415 PolarHBondContact O-N 3.27Å; M1415-V1417 HydrophobicContact CB-CG2 3.66Å; M1415-V1417 WeakPolarHBondContact O-CG2 3.3Å; M1415-V1417 PolarHBondContact O-N 2.78Å; M1415-V1417 VanDerWaalsContact O-N 3.08Å; M1415-P1538 VanDerWaalsContact CE-CD 3.49Å; M1415-P1538 HydrophobicContact CE-CG 3.91Å; M1415-F1541 HydrophobicContact SD-CD1 4.03Å; M1415-F1541 HydrophobicContact SD-CE1 4Å |
| 1416 | N | 79.8 | Confident | 83.4 | Confident | 151 Ų | 151 | 69.7 Ų | 69.7 | 81% | 0.807 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 20.7 | -174.4 | -74.4 | -25.5 | 0 | 0 | 0 | 115.1 | L1412 L1413 K1414 I1418 | L1412-N1416 PolarHBondContact O-N 3.03Å; L1413-N1416 PolarHBondContact O-N 3.44Å; K1414-N1416 VanDerWaalsContact C-N 3.3Å; N1416-I1418 VanDerWaalsContact C-N 3.33Å |
| 1417 | V | 83.9 | Confident | 83 | Confident | 27 Ų | 27 | 68.7 Ų | 68.7 | 16% | 0.164 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -79.1 | -21.3 | 178.8 | -163.5 | 0 | 0 | 0 | 0 | 111.4 | L1412 M1415 W1466 P1536 I1537 | L1412-V1417 HydrophobicContact CD2-CB 4.14Å; L1412-V1417 HydrophobicContact CD2-CG1 4.34Å; L1412-V1417 HydrophobicContact CD2-CG2 4.35Å; L1412-V1417 PolarHBondContact O-N 2.76Å; M1415-V1417 HydrophobicContact CB-CG2 3.66Å; M1415-V1417 WeakPolarHBondContact O-CG2 3.3Å; M1415-V1417 PolarHBondContact O-N 2.78Å; M1415-V1417 VanDerWaalsContact O-N 3.08Å; V1417-W1466 HydrophobicContact CG1-CH2 3.83Å; V1417-W1466 HydrophobicContact CG1-CZ2 3.84Å; V1417-W1466 WeakPolarHBondContact O-CZ2 3.44Å; V1417-P1536 HydrophobicContact CG1-CB 4.23Å; V1417-P1536 HydrophobicContact CG1-CG 4.38Å; V1417-P1536 VanDerWaalsContact CG2-O 3.27Å; V1417-P1536 WeakPolarHBondContact CG2-O 3.48Å; V1417-I1537 HydrophobicContact CG1-CD1 4.4Å; V1417-I1537 HydrophobicContact CG1-CG1 3.96Å |
| 1418 | I | 85.9 | Confident | 82.4 | Confident | 6 Ų | 6 | 66.7 Ų | 66.7 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -132.4 | 152 | 170.2 | 62 | 179.4 | 0 | 0 | 0 | 110.4 | L1409 L1412 L1413 N1416 E1422 F1423 L1426 W1466 | L1409-I1418 HydrophobicContact CD2-CD1 4.16Å; L1412-I1418 HydrophobicContact CB-CD1 3.96Å; L1412-I1418 HydrophobicContact CB-CG1 4.03Å; L1413-I1418 HydrophobicContact CB-CD1 4.49Å; L1413-I1418 HydrophobicContact CB-CG1 4.17Å; L1413-I1418 HydrophobicContact CD1-CG1 4.32Å; N1416-I1418 VanDerWaalsContact C-N 3.33Å; I1418-E1422 HydrophobicContact CB-CB 4.1Å; I1418-F1423 HydrophobicContact CD1-CB 4.13Å; I1418-F1423 HydrophobicContact CD1-CD2 4.22Å; I1418-L1426 HydrophobicContact CD1-CD1 3.95Å; I1418-L1426 HydrophobicContact CG2-CD1 3.95Å; I1418-W1466 HydrophobicContact CG2-CD2 4.15Å; I1418-W1466 HydrophobicContact CG2-CH2 3.85Å; I1418-W1466 HydrophobicContact CG2-CZ2 3.19Å |
| 1419 | N | 83.2 | Confident | 81.1 | Confident | 81 Ų | 81 | 70.1 Ų | 70.1 | 43% | 0.433 | 36% | 0.355 | S | S | . | . | trans | -94.9 | 178.7 | 172.7 | 71.4 | 51.1 | 0 | 0 | 0 | 112.6 | E1421 E1422 F1423 | N1419-E1421 WeakPolarHBondContact OD1-CA 3.37Å; N1419-E1421 WeakPolarHBondContact OD1-CB 3.46Å; N1419-E1421 PolarHBondContact OD1-N 2.68Å; N1419-E1422 PolarHBondContact N-OE2 3.34Å; N1419-E1422 PolarHBondContact O-N 2.69Å; N1419-E1422 PolarHBondContact OD1-N 3.06Å; N1419-F1423 WeakPolarHBondContact O-CB 3.08Å; N1419-F1423 PolarHBondContact O-N 3.1Å | ||
| 1420 | N | 76.7 | Confident | 80.1 | Confident | 108 Ų | 108 | 71.2 Ų | 71.2 | 58% | 0.578 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -68.4 | -30.8 | -178.8 | -83.6 | -37.5 | 0 | 0 | 0 | 114.9 | N1424 | N1420-N1424 WeakPolarHBondContact O-CB 3.36Å; N1420-N1424 PolarHBondContact O-N 2.76Å; N1420-N1424 VanDerWaalsContact O-N 3.13Å; N1420-N1424 PolarHBondContact O-ND2 2.77Å |
| 1421 | E | 72 | Confident | 79.6 | Confident | 153 Ų | 153 | 68.8 Ų | 68.8 | 72% | 0.715 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -69.4 | -45.9 | 172.9 | -65.4 | -165.1 | 138.7 | 0 | 0 | 110 | N1419 N1424 I1425 | N1419-E1421 WeakPolarHBondContact OD1-CA 3.37Å; N1419-E1421 WeakPolarHBondContact OD1-CB 3.46Å; N1419-E1421 PolarHBondContact OD1-N 2.68Å; E1421-N1424 PolarHBondContact O-N 2.81Å; E1421-I1425 WeakPolarHBondContact O-CG1 3.44Å; E1421-I1425 PolarHBondContact O-N 2.81Å |
| 1422 | E | 78.3 | Confident | 79 | Confident | 54 Ų | 54 | 66.8 Ų | 66.8 | 25% | 0.252 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.9 | -51 | 173 | -73.5 | -168.8 | 121.6 | 0 | 0 | 110.7 | I1418 N1419 N1424 I1425 L1426 W1466 | I1418-E1422 HydrophobicContact CB-CB 4.1Å; N1419-E1422 PolarHBondContact N-OE2 3.34Å; N1419-E1422 PolarHBondContact O-N 2.69Å; N1419-E1422 PolarHBondContact OD1-N 3.06Å; E1422-N1424 VanDerWaalsContact C-N 3.31Å; E1422-N1424 PolarHBondContact O-N 3.16Å; E1422-I1425 CarbonylContact O-C 3.59Å; E1422-I1425 WeakPolarHBondContact O-CA 3.43Å; E1422-I1425 WeakPolarHBondContact O-CB 3.47Å; E1422-I1425 PolarHBondContact O-N 3.06Å; E1422-L1426 WeakPolarHBondContact O-CB 3.24Å; E1422-L1426 WeakPolarHBondContact O-CG 3.36Å; E1422-L1426 PolarHBondContact O-N 3.12Å; E1422-W1466 PolarHBondContact OE1-NE1 2.83Å |
| 1423 | F | 82.7 | Confident | 78.6 | Confident | 21 Ų | 21 | 68 Ų | 68 | 9% | 0.092 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55.5 | -42.7 | 178.5 | 176 | -90.2 | 0 | 0 | 0 | 113.3 | K1406 L1409 L1410 L1413 I1418 N1419 I1425 L1426 K1427 | K1406-F1423 HydrophobicContact CG-CZ 4.48Å; L1409-F1423 HydrophobicContact CB-CD2 3.83Å; L1409-F1423 HydrophobicContact CB-CE2 3.66Å; L1410-F1423 HydrophobicContact CD2-CE2 3.69Å; L1410-F1423 HydrophobicContact CD2-CZ 3.69Å; L1410-F1423 HydrophobicContact CG-CE2 3.81Å; L1410-F1423 HydrophobicContact CG-CZ 4.01Å; L1413-F1423 HydrophobicContact CB-CD2 4.5Å; L1413-F1423 HydrophobicContact CD1-CB 4.06Å; I1418-F1423 HydrophobicContact CD1-CB 4.13Å; I1418-F1423 HydrophobicContact CD1-CD2 4.22Å; N1419-F1423 WeakPolarHBondContact O-CB 3.08Å; N1419-F1423 PolarHBondContact O-N 3.1Å; F1423-I1425 VanDerWaalsContact C-N 3.27Å; F1423-I1425 PolarHBondContact O-N 3.37Å; F1423-L1426 PolarHBondContact O-N 2.89Å; F1423-K1427 HydrophobicContact CE1-CD 4.32Å; F1423-K1427 WeakPolarHBondContact O-CB 3.49Å; F1423-K1427 PolarHBondContact O-N 2.99Å |
| 1424 | N | 75.9 | Confident | 78.7 | Confident | 101 Ų | 101 | 66.2 Ų | 66.2 | 54% | 0.54 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70 | -25.1 | 178.3 | -79.9 | -62.6 | 0 | 0 | 0 | 113.4 | N1420 E1421 E1422 | N1420-N1424 WeakPolarHBondContact O-CB 3.36Å; N1420-N1424 PolarHBondContact O-N 2.76Å; N1420-N1424 VanDerWaalsContact O-N 3.13Å; N1420-N1424 PolarHBondContact O-ND2 2.77Å; E1421-N1424 PolarHBondContact O-N 2.81Å; E1422-N1424 VanDerWaalsContact C-N 3.31Å; E1422-N1424 PolarHBondContact O-N 3.16Å |
| 1425 | I | 78.3 | Confident | 78.7 | Confident | 96 Ų | 96 | 58.1 Ų | 58.1 | 49% | 0.492 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -73 | -54.7 | 165.8 | -69.7 | 165.4 | 0 | 0 | 0 | 109.1 | E1421 E1422 F1423 K1427 E1462 | E1421-I1425 WeakPolarHBondContact O-CG1 3.44Å; E1421-I1425 PolarHBondContact O-N 2.81Å; E1422-I1425 CarbonylContact O-C 3.59Å; E1422-I1425 WeakPolarHBondContact O-CA 3.43Å; E1422-I1425 WeakPolarHBondContact O-CB 3.47Å; E1422-I1425 PolarHBondContact O-N 3.06Å; F1423-I1425 VanDerWaalsContact C-N 3.27Å; F1423-I1425 PolarHBondContact O-N 3.37Å; I1425-K1427 VanDerWaalsContact C-N 3.28Å; I1425-K1427 PolarHBondContact O-N 2.83Å; I1425-E1462 HydrophobicContact CG2-CB 4.25Å; I1425-E1462 HydrophobicContact CG2-CG 3.46Å; I1425-E1462 VanDerWaalsContact CG2-CG 3.46Å; I1425-E1462 WeakPolarHBondContact CG2-OE1 3.22Å; I1425-E1462 WeakPolarHBondContact O-CB 3.25Å; I1425-E1462 WeakPolarHBondContact O-CG 3.25Å |
| 1426 | L | 85.5 | Confident | 78.8 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.7 | -31.6 | -173.7 | -59.9 | -153.5 | 0 | 0 | 0 | 114.5 | L1409 I1418 E1422 F1423 E1462 W1466 | L1409-L1426 VanDerWaalsContact CD1-C 3.45Å; L1409-L1426 HydrophobicContact CD1-CB 3.79Å; L1409-L1426 VanDerWaalsContact CD1-O 3.29Å; L1409-L1426 WeakPolarHBondContact CD1-O 3.33Å; L1409-L1426 HydrophobicContact CD2-CB 3.53Å; L1409-L1426 HydrophobicContact CD2-CD1 3.53Å; L1409-L1426 HydrophobicContact CD2-CG 4.16Å; L1409-L1426 HydrophobicContact CG-CB 4.3Å; I1418-L1426 HydrophobicContact CD1-CD1 3.95Å; I1418-L1426 HydrophobicContact CG2-CD1 3.95Å; E1422-L1426 WeakPolarHBondContact O-CB 3.24Å; E1422-L1426 WeakPolarHBondContact O-CG 3.36Å; E1422-L1426 PolarHBondContact O-N 3.12Å; F1423-L1426 PolarHBondContact O-N 2.89Å; L1426-E1462 VanDerWaalsContact CA-CB 3.45Å; L1426-E1462 HydrophobicContact CB-CB 4.49Å; L1426-E1462 HydrophobicContact CD2-CB 3.96Å; L1426-W1466 HydrophobicContact CD1-CB 4.43Å; L1426-W1466 HydrophobicContact CD1-CD2 4.01Å; L1426-W1466 HydrophobicContact CD1-CE3 4.2Å; L1426-W1466 HydrophobicContact CD1-CG 4.07Å; L1426-W1466 HydrophobicContact CD2-CB 4.02Å; L1426-W1466 HydrophobicContact CD2-CG 4.31Å |
| 1427 | K | 78.8 | Confident | 79 | Confident | 84 Ų | 84 | 47.1 Ų | 47.1 | 37% | 0.365 | 26% | 0.257 | S | S | . | . | trans | -67.8 | 125.5 | -176.9 | 167.6 | -169.1 | 154.9 | -157.6 | 0 | 113 | F1423 I1425 | F1423-K1427 HydrophobicContact CE1-CD 4.32Å; F1423-K1427 WeakPolarHBondContact O-CB 3.49Å; F1423-K1427 PolarHBondContact O-N 2.99Å; I1425-K1427 VanDerWaalsContact C-N 3.28Å; I1425-K1427 PolarHBondContact O-N 2.83Å | ||
| 1428 | P | 77.1 | Confident | 79 | Confident | 16 Ų | 16 | 45.9 Ų | 45.9 | 10% | 0.104 | 25% | 0.249 | C | C | . | . | trans | -72.5 | 156.9 | 169.1 | 32.9 | -38.8 | 0 | 0 | 0 | 113.1 | E1402 V1405 P1459 | E1402-P1428 HydrophobicContact CB-CG 4.22Å; E1402-P1428 HydrophobicContact CG-CB 4.27Å; E1402-P1428 HydrophobicContact CG-CG 4.16Å; V1405-P1428 HydrophobicContact CB-CG 4.28Å; V1405-P1428 HydrophobicContact CG1-CG 4.07Å; P1428-P1459 WeakPolarHBondContact CB-O 3.35Å; P1428-P1459 WeakPolarHBondContact CG-O 3.4Å | ||
| 1429 | S | 61.4 | Low | 79 | Confident | 89 Ų | 89 | 46.3 Ų | 46.3 | 62% | 0.622 | 25% | 0.251 | S | S | * | . | trans | -162.7 | 132.8 | 168.7 | 58 | 0 | 0 | 0 | 0 | 110.7 | E1402 | E1402-S1429 WeakPolarHBondContact OE1-CA 3.37Š| ||
| 1430 | G | 68.3 | Low | 79 | Confident | 22 Ų | 22 | 42.4 Ų | 42.4 | 23% | 0.227 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 75.7 | 40 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1402 | E1402-G1430 PolarHBondContact OE1-N 3.2Š|
| 1431 | S | 75.7 | Confident | 79.3 | Confident | 21 Ų | 21 | 39.5 Ų | 39.5 | 15% | 0.147 | 21% | 0.213 | C | C | . | . | trans | -63.3 | 130.4 | -173.9 | -76.9 | 0 | 0 | 0 | 0 | 115 | V1398 E1402 G1457 S1458 P1459 | V1398-S1431 VanDerWaalsContact CG1-CB 3.41Å; E1402-S1431 VanDerWaalsContact CD-CB 3.45Å; E1402-S1431 WeakPolarHBondContact CG-OG 3.3Å; E1402-S1431 WeakPolarHBondContact OE1-CB 3.24Å; E1402-S1431 PolarHBondContact OE1-N 2.85Å; E1402-S1431 VanDerWaalsContact OE1-N 3.17Å; E1402-S1431 PolarHBondContact OE1-OG 2.93Å; S1431-G1457 WeakPolarHBondContact CA-O 3.44Å; S1431-G1457 PolarHBondContact OG-O 3.25Å; S1431-S1458 VanDerWaalsContact OG-CA 3.31Å; S1431-S1458 WeakPolarHBondContact OG-CA 3.49Å; S1431-P1459 VanDerWaalsContact OG-CA 3.28Å; S1431-P1459 WeakPolarHBondContact OG-CA 3.26Å; S1431-P1459 WeakPolarHBondContact OG-CD 3.33Å; S1431-P1459 WeakPolarHBondContact OG-CG 3.26Å; S1431-P1459 VanDerWaalsContact OG-N 3.12Å | ||
| 1432 | V | 77.1 | Confident | 79.5 | Confident | 59 Ų | 59 | 34.9 Ų | 34.9 | 36% | 0.358 | 19% | 0.192 | S | C | . | . | trans | -119.7 | 134.5 | 179.5 | -164.5 | 0 | 0 | 0 | 0 | 110.4 | F615 P630 S1458 | F615-V1432 HydrophobicContact CE2-CB 4.26Å; F615-V1432 HydrophobicContact CE2-CG2 4.35Å; F615-V1432 HydrophobicContact CZ-CB 4.15Å; P630-V1432 WeakPolarHBondContact CG-O 3.25Å; V1432-S1458 WeakPolarHBondContact O-CB 3.24Å | ||
| 1433 | L | 79.7 | Confident | 79.1 | Confident | 26 Ų | 26 | 36.9 Ų | 36.9 | 14% | 0.136 | 20% | 0.201 | C | C | . | . | trans | -57.1 | 160.8 | 170.2 | -70.7 | 176.9 | 0 | 0 | 0 | 112.7 | Q629 I1396 V1398 T1556 Y1561 | Q629-L1433 HydrophobicContact CG-CD2 3.68Å; I1396-L1433 HydrophobicContact CG2-CD1 3.56Å; I1396-L1433 HydrophobicContact CG2-CD2 3.65Å; I1396-L1433 HydrophobicContact CG2-CG 4.18Å; V1398-L1433 HydrophobicContact CG2-CD1 4.23Å; V1398-L1433 HydrophobicContact CG2-CD2 3.71Å; V1398-L1433 HydrophobicContact CG2-CG 3.64Å; L1433-T1556 HydrophobicContact CB-CG2 3.86Å; L1433-T1556 HydrophobicContact CD1-CG2 3.91Å; L1433-Y1561 HydrophobicContact CD1-CD1 4.2Å; L1433-Y1561 HydrophobicContact CD1-CE1 3.74Å | ||
| 1434 | P | 84.5 | Confident | 78.4 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | trans | -104 | -173.4 | -178.9 | 40.6 | -25 | 0 | 0 | 0 | 109.5 | L623 P630 S1454 F1555 T1556 | L623-P1434 HydrophobicContact CB-CB 3.97Å; L623-P1434 HydrophobicContact CB-CG 3.75Å; L623-P1434 HydrophobicContact CD1-CB 3.29Å; L623-P1434 HydrophobicContact CD1-CG 3.62Å; L623-P1434 HydrophobicContact CG-CB 3.68Å; L623-P1434 HydrophobicContact CG-CG 3.42Å; L623-P1434 VanDerWaalsContact CG-CG 3.42Å; P630-P1434 HydrophobicContact CB-CB 3.83Å; P630-P1434 HydrophobicContact CB-CG 3.84Å; P630-P1434 HydrophobicContact CG-CB 3.64Å; P630-P1434 HydrophobicContact CG-CG 3.36Å; P1434-S1454 WeakPolarHBondContact CB-O 3.3Å; P1434-F1555 HydrophobicContact CG-CB 3.27Å; P1434-F1555 HydrophobicContact CG-CG 4.15Å; P1434-T1556 PolarHBondContact O-N 2.84Å; P1434-T1556 PolarHBondContact O-OG1 2.57Å; P1434-T1556 VanDerWaalsContact O-OG1 3.1Å | ||
| 1435 | N | 84.2 | Confident | 78.2 | Confident | 18 Ų | 18 | 42.1 Ų | 42.1 | 10% | 0.096 | 23% | 0.231 | C | C | . | . | trans | -150.8 | -116.8 | -179.1 | 113.7 | 103 | 0 | 0 | 0 | 109.9 | Y620 L623 R624 T1556 | Y620-N1435 WeakPolarHBondContact CB-ND2 3.44Å; Y620-N1435 HydrophobicContact CD1-CB 3.71Å; Y620-N1435 WeakPolarHBondContact CD1-ND2 3.07Å; Y620-N1435 CarbonylContact O-C 3.56Å; L623-N1435 CarbonylContact C-O 3.35Å; L623-N1435 WeakPolarHBondContact CA-O 3.06Å; L623-N1435 VanDerWaalsContact CB-O 3.25Å; L623-N1435 WeakPolarHBondContact CB-O 3.34Å; L623-N1435 PolarHBondContact N-O 3.49Å; R624-N1435 WeakPolarHBondContact CD-OD1 3.4Å; R624-N1435 VanDerWaalsContact CG-C 3.46Å; R624-N1435 WeakPolarHBondContact CG-O 3.13Å; R624-N1435 PolarHBondContact N-O 2.97Å; R624-N1435 PolarHBondContact NH1-OD1 2.96Å; N1435-T1556 WeakPolarHBondContact CA-O 3.28Å; N1435-T1556 VanDerWaalsContact CB-O 3.32Å; N1435-T1556 WeakPolarHBondContact CB-O 3.48Å; N1435-T1556 WeakPolarHBondContact CB-OG1 3.32Å | ||
| 1436 | L | 85.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -179.2 | 168.9 | -174.6 | -150.1 | 82.6 | 0 | 0 | 0 | 105.7 | Y620 K621 F622 L623 R624 M1378 P1451 | Y620-L1436 WeakPolarHBondContact O-CA 3.11Å; Y620-L1436 PolarHBondContact O-N 3.41Å; K621-L1436 VanDerWaalsContact CA-CA 3.46Å; K621-L1436 WeakPolarHBondContact O-CD1 3.25Å; K621-L1436 VanDerWaalsContact O-CG 3.25Å; K621-L1436 WeakPolarHBondContact O-CG 3.45Å; F622-L1436 VanDerWaalsContact N-CD1 3.34Å; L623-L1436 VanDerWaalsContact N-CD1 3.33Å; R624-L1436 HydrophobicContact CB-CB 3.33Å; R624-L1436 HydrophobicContact CB-CD1 3.69Å; R624-L1436 HydrophobicContact CB-CD2 3.76Å; R624-L1436 HydrophobicContact CB-CG 3.75Å; R624-L1436 HydrophobicContact CG-CB 3.31Å; R624-L1436 HydrophobicContact CG-CD1 4.48Å; R624-L1436 HydrophobicContact CG-CG 4.3Å; R624-L1436 PolarHBondContact NH1-O 3.35Å; M1378-L1436 HydrophobicContact CB-CD2 4.1Å; M1378-L1436 HydrophobicContact CE-CD2 3.19Å; M1378-L1436 HydrophobicContact CE-CG 4.42Å; M1378-L1436 HydrophobicContact CG-CD2 4.07Å; M1378-L1436 HydrophobicContact SD-CD2 4.35Å; L1436-P1451 HydrophobicContact CD1-CB 4.29Å | ||
| 1437 | Y | 83.2 | Confident | 77.6 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | -143.3 | -174.4 | 119 | -1 | 33.4 | 0 | 0 | 0 | 105.9 | R617 K621 T697 L698 V699 V1356 Y1374 | R617-Y1437 HydrophobicContact CB-CE1 4.43Å; R617-Y1437 HydrophobicContact CG-CE1 3.82Å; R617-Y1437 VanDerWaalsContact O-CE1 3.24Å; R617-Y1437 WeakPolarHBondContact O-CE1 3.32Å; K621-Y1437 WeakPolarHBondContact CA-O 3.19Å; K621-Y1437 WeakPolarHBondContact CB-O 3.06Å; K621-Y1437 WeakPolarHBondContact CD-O 3.42Å; K621-Y1437 VanDerWaalsContact CE-CA 3.47Å; K621-Y1437 VanDerWaalsContact CE-CB 3.49Å; K621-Y1437 WeakPolarHBondContact CE-O 3.38Å; K621-Y1437 WeakPolarHBondContact CG-O 3.34Å; T697-Y1437 PolarHBondContact O-OH 2.99Å; L698-Y1437 WeakPolarHBondContact CD2-OH 3.42Å; V699-Y1437 HydrophobicContact CB-CE2 4.45Å; V699-Y1437 HydrophobicContact CG1-CE2 3.82Å; V1356-Y1437 HydrophobicContact CG1-CD2 3.56Å; V1356-Y1437 HydrophobicContact CG1-CE2 3.52Å; Y1374-Y1437 WeakPolarHBondContact OH-CA 3.47Å; Y1374-Y1437 WeakPolarHBondContact OH-CB 3.39Å | |||
| 1438 | G | 84.8 | Confident | 77.8 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -73 | 146.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K621 L1358 Y1374 M1378 | K621-G1438 VanDerWaalsContact CD-C 3.49Å; K621-G1438 WeakPolarHBondContact CE-O 3.33Å; K621-G1438 PolarHBondContact NZ-O 2.68Å; L1358-G1438 VanDerWaalsContact CD1-O 3.26Å; L1358-G1438 WeakPolarHBondContact CD1-O 3.5Å; Y1374-G1438 PolarHBondContact OH-N 3.3Å; M1378-G1438 VanDerWaalsContact SD-CA 3.53Å | ||
| 1439 | L | 85.8 | Confident | 78.2 | Confident | 15 Ų | 15 | 42 Ų | 42 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 118 | 157.8 | -82.2 | -156.2 | 0 | 0 | 0 | 107 | K621 R1359 D1361 K1441 L1449 R1450 I1452 | K621-L1439 HydrophobicContact CD-CB 3.9Å; K621-L1439 HydrophobicContact CD-CD2 3.21Å; K621-L1439 HydrophobicContact CD-CG 3.26Å; K621-L1439 HydrophobicContact CG-CB 4.5Å; K621-L1439 HydrophobicContact CG-CD2 4.41Å; K621-L1439 HydrophobicContact CG-CG 4Å; R1359-L1439 VanDerWaalsContact O-CD2 3.3Å; R1359-L1439 WeakPolarHBondContact O-CD2 3.4Å; D1361-L1439 HydrophobicContact CB-CB 4.49Å; D1361-L1439 HydrophobicContact CB-CD1 4.46Å; L1439-K1441 PolarHBondContact O-N 2.86Å; L1439-L1449 CarbonylContact O-C 3.59Å; L1439-L1449 WeakPolarHBondContact O-CA 3.22Å; L1439-R1450 WeakPolarHBondContact CA-O 3.39Å; L1439-R1450 VanDerWaalsContact CB-O 3.3Å; L1439-R1450 WeakPolarHBondContact CB-O 3.26Å; L1439-R1450 PolarHBondContact N-O 3.27Å; L1439-R1450 PolarHBondContact O-N 2.92Å; L1439-I1452 HydrophobicContact CB-CG1 4.47Å; L1439-I1452 HydrophobicContact CD1-CD1 3.97Å; L1439-I1452 HydrophobicContact CD1-CG1 3.47Å; L1439-I1452 VanDerWaalsContact CD1-CG1 3.47Å; L1439-I1452 HydrophobicContact CG-CG1 3.64Å |
| 1440 | P | 83.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 112.7 | 173.1 | -31.4 | 37.7 | 0 | 0 | 0 | 112 | L1260 L1358 D1361 V1367 I1442 I1447 L1449 | L1260-P1440 HydrophobicContact CD1-CB 3.97Å; L1260-P1440 HydrophobicContact CD1-CG 3.77Å; L1358-P1440 VanDerWaalsContact CD1-CD 3.4Å; L1358-P1440 HydrophobicContact CD1-CG 3.81Å; D1361-P1440 PolarHBondContact N-O 2.95Å; D1361-P1440 VanDerWaalsContact N-O 3.11Å; V1367-P1440 HydrophobicContact CG1-CB 4.46Å; V1367-P1440 HydrophobicContact CG1-CG 4.18Å; P1440-I1442 HydrophobicContact CB-CG2 3.59Å; P1440-I1442 PolarHBondContact O-N 3.45Å; P1440-I1447 HydrophobicContact CB-CG2 3.73Å; P1440-L1449 HydrophobicContact CB-CD2 4.2Å; P1440-L1449 HydrophobicContact CG-CD2 3.93Å |
| 1441 | K | 81.9 | Confident | 80.2 | Confident | 46 Ų | 46 | 39.1 Ų | 39.1 | 20% | 0.2 | 21% | 0.207 | C | C | . | . | trans | -74.5 | 69.8 | 162.6 | -61 | 176.6 | -173.5 | 172.1 | 0 | 107.7 | D1361 L1439 H1443 K1444 P1448 R1450 | D1361-K1441 HydrophobicContact CB-CG 4.39Å; L1439-K1441 PolarHBondContact O-N 2.86Å; K1441-H1443 PolarHBondContact O-N 2.58Å; K1441-K1444 HydrophobicContact CB-CB 4.3Å; K1441-K1444 PolarHBondContact O-N 3.24Å; K1441-P1448 WeakPolarHBondContact CB-O 3.42Å; K1441-P1448 HydrophobicContact CD-CG 4.27Å; K1441-P1448 VanDerWaalsContact CG-O 3.31Å; K1441-P1448 WeakPolarHBondContact CG-O 3.4Å; K1441-P1448 PolarHBondContact N-O 3.09Å; K1441-R1450 HydrophobicContact CD-CB 4.14Å; K1441-R1450 HydrophobicContact CG-CB 3.76Å | ||
| 1442 | I | 76.7 | Confident | 80.7 | Confident | 57 Ų | 57 | 38.3 Ų | 38.3 | 29% | 0.292 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 9.1 | -179.3 | 66 | 168.5 | 0 | 0 | 0 | 114.8 | P1360 V1367 P1440 I1447 | P1360-I1442 HydrophobicContact CB-CD1 3.57Å; P1360-I1442 HydrophobicContact CB-CG1 3.72Å; P1360-I1442 HydrophobicContact CB-CG2 4.24Å; P1360-I1442 HydrophobicContact CG-CD1 3.88Å; V1367-I1442 HydrophobicContact CG2-CD1 4.24Å; V1367-I1442 HydrophobicContact CG2-CG2 4.36Å; P1440-I1442 HydrophobicContact CB-CG2 3.59Å; P1440-I1442 PolarHBondContact O-N 3.45Å; I1442-I1447 HydrophobicContact CG2-CG2 4.11Å |
| 1443 | H | 70.3 | Confident | 81.1 | Confident | 95 Ų | 95 | 35.5 Ų | 35.5 | 44% | 0.44 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | -1.1 | 178.6 | 63.5 | -87.7 | 0 | 0 | 0 | 112.5 | D1361 K1441 | D1361-H1443 IonicContact OD2-CE1 3.92Å; D1361-H1443 PolarHBondContact OD2-CE1 3.21Å; K1441-H1443 PolarHBondContact O-N 2.58Å |
| 1444 | K | 68.7 | Low | 81.3 | Confident | 117 Ų | 117 | 34.2 Ų | 34.2 | 51% | 0.509 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -108.4 | 142.5 | 165.7 | -73.9 | -140.6 | 173.7 | -160.7 | 0 | 108.8 | K1441 I1447 P1448 | K1441-K1444 HydrophobicContact CB-CB 4.3Å; K1441-K1444 PolarHBondContact O-N 3.24Å; K1444-I1447 PolarHBondContact O-N 3.14Å; K1444-I1447 VanDerWaalsContact O-N 3.15Å; K1444-P1448 HydrophobicContact CB-CG 4.02Å |
| 1445 | P | 70.7 | Confident | 81.2 | Confident | 115 Ų | 115 | 34.2 Ų | 34.2 | 75% | 0.747 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 156.5 | 176 | 27 | -35.7 | 0 | 0 | 0 | 111 | I1447 P1448 | P1445-I1447 PolarHBondContact O-N 3Å; P1445-P1448 WeakPolarHBondContact O-CD 3.44Å |
| 1446 | N | 72.8 | Confident | 80.7 | Confident | 121 Ų | 121 | 37.5 Ų | 37.5 | 65% | 0.647 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 1 | -167.6 | -65.7 | -9.6 | 0 | 0 | 0 | 115.6 | K1377 | K1377-N1446 PolarHBondContact NZ-O 2.82Š|
| 1447 | I | 77.5 | Confident | 80.1 | Confident | 20 Ų | 20 | 38 Ų | 38 | 10% | 0.103 | 19% | 0.193 | C | C | . | . | trans | 45 | 59 | -178.7 | -47.9 | -180 | 0 | 0 | 0 | 111.3 | I795 L1260 K1377 P1440 I1442 K1444 P1445 | I795-I1447 HydrophobicContact CD1-CD1 3.7Å; L1260-I1447 HydrophobicContact CD2-CD1 3.85Å; K1377-I1447 PolarHBondContact NZ-O 3.04Å; P1440-I1447 HydrophobicContact CB-CG2 3.73Å; I1442-I1447 HydrophobicContact CG2-CG2 4.11Å; K1444-I1447 PolarHBondContact O-N 3.14Å; K1444-I1447 VanDerWaalsContact O-N 3.15Å; P1445-I1447 PolarHBondContact O-N 3Å | ||
| 1448 | P | 84.8 | Confident | 80.2 | Confident | 51 Ų | 51 | 37.9 Ų | 37.9 | 33% | 0.331 | 19% | 0.193 | S | C | . | . | trans | -60.4 | 147.1 | 170.8 | 26 | -34.9 | 0 | 0 | 0 | 108.9 | K1441 K1444 P1445 R1450 | K1441-P1448 WeakPolarHBondContact CB-O 3.42Å; K1441-P1448 HydrophobicContact CD-CG 4.27Å; K1441-P1448 VanDerWaalsContact CG-O 3.31Å; K1441-P1448 WeakPolarHBondContact CG-O 3.4Å; K1441-P1448 PolarHBondContact N-O 3.09Å; K1444-P1448 HydrophobicContact CB-CG 4.02Å; P1445-P1448 WeakPolarHBondContact O-CD 3.44Å; P1448-R1450 PolarHBondContact O-N 3.03Å | ||
| 1449 | L | 85.3 | Confident | 80.1 | Confident | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 112.7 | -170.4 | -63.6 | -177.3 | 0 | 0 | 0 | 108.5 | Y1374 K1377 M1378 L1439 P1440 P1451 | Y1374-L1449 HydrophobicContact CD2-CD1 4.48Å; Y1374-L1449 HydrophobicContact CE2-CD1 4.38Å; K1377-L1449 HydrophobicContact CB-CD1 3.59Å; K1377-L1449 HydrophobicContact CB-CG 4.19Å; K1377-L1449 HydrophobicContact CD-CD1 4Å; K1377-L1449 HydrophobicContact CD-CG 4.04Å; K1377-L1449 HydrophobicContact CG-CD1 4.46Å; M1378-L1449 HydrophobicContact CE-CB 4.07Å; M1378-L1449 HydrophobicContact CG-CD1 3.88Å; M1378-L1449 HydrophobicContact SD-CB 3.2Å; M1378-L1449 WeakPolarHBondContact SD-CB 3.48Å; M1378-L1449 HydrophobicContact SD-CD1 3.28Å; M1378-L1449 WeakPolarHBondContact SD-CD1 3.44Å; M1378-L1449 HydrophobicContact SD-CG 3.77Å; L1439-L1449 CarbonylContact O-C 3.59Å; L1439-L1449 WeakPolarHBondContact O-CA 3.22Å; P1440-L1449 HydrophobicContact CB-CD2 4.2Å; P1440-L1449 HydrophobicContact CG-CD2 3.93Å; L1449-P1451 WeakPolarHBondContact O-CD 3.48Å |
| 1450 | R | 87.2 | Confident | 80.2 | Confident | 40 Ų | 40 | 37.1 Ų | 37.1 | 15% | 0.151 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 135.6 | 167.3 | -158.2 | -162 | -69.6 | -90 | -7.4 | 107.1 | F622 D1361 L1439 K1441 P1448 | F622-R1450 HydrophobicContact CE2-CG 4.2Å; F622-R1450 HydrophobicContact CZ-CG 4.43Å; D1361-R1450 VanDerWaalsContact CG-NE 3.27Å; D1361-R1450 VanDerWaalsContact OD1-CD 3.3Å; D1361-R1450 WeakPolarHBondContact OD1-CD 3.48Å; D1361-R1450 IonicContact OD1-CZ 3.91Å; D1361-R1450 IonicContact OD1-NE 2.88Å; D1361-R1450 PolarHBondContact OD1-NE 2.87Å; D1361-R1450 IonicContact OD2-CZ 3.39Å; D1361-R1450 IonicContact OD2-NE 3.6Å; D1361-R1450 PolarHBondContact OD2-NE 2.58Å; D1361-R1450 IonicContact OD2-NH2 3.13Å; D1361-R1450 PolarHBondContact OD2-NH2 3Å; L1439-R1450 WeakPolarHBondContact CA-O 3.39Å; L1439-R1450 VanDerWaalsContact CB-O 3.3Å; L1439-R1450 WeakPolarHBondContact CB-O 3.26Å; L1439-R1450 PolarHBondContact N-O 3.27Å; L1439-R1450 PolarHBondContact O-N 2.92Å; K1441-R1450 HydrophobicContact CD-CB 4.14Å; K1441-R1450 HydrophobicContact CG-CB 3.76Å; P1448-R1450 PolarHBondContact O-N 3.03Å |
| 1451 | P | 84.7 | Confident | 80.2 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 7% | 0.065 | 19% | 0.189 | C | C | . | . | trans | -85.3 | 173.5 | 166.5 | 8.2 | 9.6 | 0 | 0 | 0 | 112.7 | K621 F622 S625 M1378 L1436 L1449 | K621-P1451 CarbonylContact O-C 3.29Å; K621-P1451 WeakPolarHBondContact O-CA 3.42Å; K621-P1451 WeakPolarHBondContact O-CB 3.42Å; F622-P1451 HydrophobicContact CB-CB 3.79Å; F622-P1451 VanDerWaalsContact CD1-C 3.43Å; F622-P1451 VanDerWaalsContact CD2-CA 3.4Å; F622-P1451 HydrophobicContact CD2-CB 3.1Å; F622-P1451 HydrophobicContact CD2-CG 3.42Å; F622-P1451 VanDerWaalsContact CD2-CG 3.42Å; F622-P1451 WeakPolarHBondContact CD2-O 3.44Å; F622-P1451 WeakPolarHBondContact CE1-O 3.44Å; F622-P1451 HydrophobicContact CE2-CB 3.85Å; F622-P1451 HydrophobicContact CE2-CG 3.94Å; F622-P1451 WeakPolarHBondContact CE2-O 3.3Å; F622-P1451 HydrophobicContact CG-CB 3.55Å; F622-P1451 HydrophobicContact CG-CG 4.33Å; F622-P1451 VanDerWaalsContact CZ-C 3.42Å; F622-P1451 WeakPolarHBondContact CZ-O 3.43Å; S625-P1451 WeakPolarHBondContact OG-CB 3.5Å; S625-P1451 WeakPolarHBondContact OG-CG 3.41Å; M1378-P1451 HydrophobicContact CE-CB 4.39Å; M1378-P1451 HydrophobicContact CE-CG 4.29Å; L1436-P1451 HydrophobicContact CD1-CB 4.29Å; L1449-P1451 WeakPolarHBondContact O-CD 3.48Å | ||
| 1452 | I | 85.5 | Confident | 80.3 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | trans | -161.4 | 133.4 | -174.4 | -54.7 | -66.7 | 0 | 0 | 0 | 114.4 | L619 Y620 K621 F622 L638 L1439 | L619-I1452 CarbonylContact C-O 3.57Å; L619-I1452 HydrophobicContact CD1-CG2 3.61Å; L619-I1452 CarbonylContact O-C 3.48Å; Y620-I1452 CarbonylContact C-O 3.59Å; K621-I1452 CarbonylContact C-O 2.91Å; K621-I1452 WeakPolarHBondContact CA-O 3.44Å; K621-I1452 HydrophobicContact CB-CB 3.79Å; K621-I1452 WeakPolarHBondContact CB-O 3.1Å; K621-I1452 HydrophobicContact CD-CB 4.44Å; K621-I1452 HydrophobicContact CD-CG1 4.43Å; K621-I1452 HydrophobicContact CG-CB 3.65Å; K621-I1452 HydrophobicContact CG-CG1 3.91Å; K621-I1452 VanDerWaalsContact CG-N 3.34Å; K621-I1452 PolarHBondContact N-O 2.71Å; K621-I1452 PolarHBondContact O-N 2.88Å; F622-I1452 HydrophobicContact CD1-CB 4.48Å; F622-I1452 HydrophobicContact CE1-CB 4.48Å; F622-I1452 HydrophobicContact CE1-CD1 4.44Å; F622-I1452 HydrophobicContact CZ-CD1 4.45Å; F622-I1452 VanDerWaalsContact N-N 3.17Å; F622-I1452 PolarHBondContact N-O 2.89Å; L638-I1452 HydrophobicContact CD1-CD1 3.98Å; L638-I1452 HydrophobicContact CD1-CG2 4Å; L638-I1452 HydrophobicContact CD2-CB 4.48Å; L638-I1452 HydrophobicContact CD2-CG2 3.21Å; L638-I1452 HydrophobicContact CG-CG2 4.22Å; L1439-I1452 HydrophobicContact CB-CG1 4.47Å; L1439-I1452 HydrophobicContact CD1-CD1 3.97Å; L1439-I1452 HydrophobicContact CD1-CG1 3.47Å; L1439-I1452 VanDerWaalsContact CD1-CG1 3.47Å; L1439-I1452 HydrophobicContact CG-CG1 3.64Å | ||
| 1453 | L | 85.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -120.3 | 135.6 | -160.5 | -139.4 | 56.8 | 0 | 0 | 0 | 123 | L619 F622 L623 N634 L635 M1455 A1569 M1570 G1571 S1572 | L619-L1453 WeakPolarHBondContact CD1-O 3.44Å; L619-L1453 WeakPolarHBondContact CG-O 3.48Å; L619-L1453 CarbonylContact O-C 3.52Å; L619-L1453 WeakPolarHBondContact O-CA 3.03Å; L619-L1453 PolarHBondContact O-N 2.86Å; F622-L1453 HydrophobicContact CB-CD1 3.41Å; F622-L1453 VanDerWaalsContact CB-CD1 3.41Å; F622-L1453 HydrophobicContact CB-CG 4.46Å; F622-L1453 HydrophobicContact CD1-CB 4.09Å; F622-L1453 HydrophobicContact CD1-CD1 4.42Å; F622-L1453 HydrophobicContact CG-CD1 4.44Å; L623-L1453 HydrophobicContact CB-CD1 3.99Å; L623-L1453 HydrophobicContact CD1-CD1 3.43Å; L623-L1453 VanDerWaalsContact CD1-CD1 3.43Å; L623-L1453 HydrophobicContact CD1-CG 3.72Å; L623-L1453 HydrophobicContact CD2-CD1 3.43Å; L623-L1453 VanDerWaalsContact CD2-CD1 3.43Å; L623-L1453 HydrophobicContact CD2-CD2 3.89Å; L623-L1453 HydrophobicContact CD2-CG 3.77Å; L623-L1453 HydrophobicContact CG-CD1 3.66Å; L623-L1453 HydrophobicContact CG-CG 4.24Å; N634-L1453 HydrophobicContact CB-CD2 3.59Å; N634-L1453 HydrophobicContact CB-CG 4.11Å; N634-L1453 CarbonylContact O-C 3.21Å; N634-L1453 WeakPolarHBondContact O-CB 2.89Å; N634-L1453 VanDerWaalsContact O-CD2 3.28Å; N634-L1453 WeakPolarHBondContact O-CD2 3.47Å; N634-L1453 WeakPolarHBondContact O-CG 3.43Å; N634-L1453 VanDerWaalsContact OD1-CD2 3.26Å; N634-L1453 WeakPolarHBondContact OD1-CD2 3.26Å; L635-L1453 WeakPolarHBondContact CB-O 3.48Å; L635-L1453 WeakPolarHBondContact CG-O 3.35Å; L1453-M1455 HydrophobicContact CG-CE 4.39Å; L1453-A1569 HydrophobicContact CD2-CB 3.82Å; L1453-M1570 WeakPolarHBondContact CD2-O 3.41Å; L1453-G1571 VanDerWaalsContact CB-O 3.23Å; L1453-G1571 WeakPolarHBondContact CB-O 3.46Å; L1453-S1572 VanDerWaalsContact CD2-N 3.35Å | ||
| 1454 | S | 84.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | cis | 150.8 | 74.1 | -15.1 | -30 | 0 | 0 | 0 | 0 | 118.5 | P616 L619 L623 P630 P1434 | P616-S1454 WeakPolarHBondContact CD-OG 3.41Å; P616-S1454 WeakPolarHBondContact O-CB 3.44Å; P616-S1454 PolarHBondContact O-OG 3.44Å; L619-S1454 VanDerWaalsContact C-OG 3.31Å; L619-S1454 WeakPolarHBondContact CB-OG 3.43Å; L619-S1454 WeakPolarHBondContact CG-OG 3.3Å; L619-S1454 WeakPolarHBondContact O-CA 3.09Å; L619-S1454 WeakPolarHBondContact O-CB 3.05Å; L619-S1454 PolarHBondContact O-N 3.33Å; L619-S1454 PolarHBondContact O-OG 3Å; L623-S1454 VanDerWaalsContact CD1-O 3.23Å; L623-S1454 WeakPolarHBondContact CD1-O 3.34Å; P630-S1454 WeakPolarHBondContact CB-O 3.04Å; P1434-S1454 WeakPolarHBondContact CB-O 3.3Å | ||
| 1455 | M | 81.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -172.8 | 163.1 | -142.7 | -67.7 | -30.6 | 137.4 | 0 | 0 | 106.7 | I614 F615 P616 L623 P630 N631 N634 L635 L1453 H1461 | I614-M1455 CarbonylContact O-C 3.55Å; F615-M1455 VanDerWaalsContact CA-O 3.28Å; F615-M1455 WeakPolarHBondContact CA-O 3.48Å; F615-M1455 WeakPolarHBondContact CD1-O 3.36Å; P616-M1455 WeakPolarHBondContact CD-O 3.48Å; L623-M1455 HydrophobicContact CD1-CE 3.59Å; P630-M1455 VanDerWaalsContact CA-CE 3.46Å; P630-M1455 WeakPolarHBondContact CA-SD 3.24Å; P630-M1455 HydrophobicContact CB-CE 3.46Å; P630-M1455 VanDerWaalsContact CB-CE 3.46Å; P630-M1455 HydrophobicContact CB-SD 3.24Å; P630-M1455 WeakPolarHBondContact CB-SD 3.44Å; N631-M1455 PolarHBondContact N-SD 3.22Å; N634-M1455 VanDerWaalsContact C-CE 3.44Å; N634-M1455 HydrophobicContact CB-CE 3.08Å; N634-M1455 HydrophobicContact CB-SD 4.39Å; N634-M1455 WeakPolarHBondContact O-CE 3.49Å; L635-M1455 HydrophobicContact CB-CB 4.12Å; L635-M1455 HydrophobicContact CB-CG 3.45Å; L635-M1455 VanDerWaalsContact CB-CG 3.45Å; L635-M1455 HydrophobicContact CD1-CB 3.66Å; L635-M1455 HydrophobicContact CD1-CG 4Å; L635-M1455 HydrophobicContact CG-CB 4.16Å; L635-M1455 HydrophobicContact CG-CG 4.02Å; L1453-M1455 HydrophobicContact CG-CE 4.39Å; M1455-H1461 HydrophobicContact CB-CB 4.18Å; M1455-H1461 WeakPolarHBondContact CB-CE1 3.35Å; M1455-H1461 WeakPolarHBondContact CB-ND1 3.45Å; M1455-H1461 HydrophobicContact CG-CB 4.15Å; M1455-H1461 VanDerWaalsContact CG-CG 3.46Å; M1455-H1461 WeakPolarHBondContact CG-ND1 3.38Å; M1455-H1461 HydrophobicContact SD-CB 3.63Å; M1455-H1461 PolarHBondContact SD-ND1 3.29Å | ||
| 1456 | R | 73.8 | Confident | 83.3 | Confident | 88 Ų | 88 | 18.6 Ų | 18.6 | 33% | 0.332 | 9% | 0.093 | S | C | . | . | S | Bend | cis | 29.9 | 149.9 | -38.6 | -136.7 | -149.7 | -103.2 | -142 | -7.9 | 121.4 | H613 I614 F615 S1458 H1461 | H613-R1456 CarbonylContact O-C 3.54Å; H613-R1456 VanDerWaalsContact O-CA 3.29Å; H613-R1456 WeakPolarHBondContact O-CA 3.41Å; I614-R1456 VanDerWaalsContact C-CA 3.43Å; I614-R1456 HydrophobicContact CG1-CG 4.36Å; I614-R1456 PolarHBondContact O-N 3Å; F615-R1456 HydrophobicContact CB-CB 3.7Å; F615-R1456 HydrophobicContact CB-CG 4.28Å; F615-R1456 HydrophobicContact CD1-CB 3.55Å; F615-R1456 HydrophobicContact CD2-CB 3.38Å; F615-R1456 HydrophobicContact CD2-CG 3.95Å; F615-R1456 HydrophobicContact CE1-CB 3.8Å; F615-R1456 HydrophobicContact CE2-CB 3.68Å; F615-R1456 HydrophobicContact CE2-CG 4.38Å; F615-R1456 HydrophobicContact CG-CB 3.28Å; F615-R1456 HydrophobicContact CG-CG 4.16Å; F615-R1456 HydrophobicContact CZ-CB 3.85Å; R1456-S1458 WeakPolarHBondContact O-CB 3.21Å; R1456-S1458 PolarHBondContact O-N 2.81Å; R1456-S1458 PolarHBondContact O-OG 3.24Å; R1456-H1461 VanDerWaalsContact C-CD2 3.45Å |
| 1457 | G | 73.7 | Confident | 84.2 | Confident | 10 Ų | 10 | 12.8 Ų | 12.8 | 10% | 0.103 | 6% | 0.062 | C | C | . | . | S | Bend | 79.4 | -47 | 102 | 0 | 0 | 0 | 0 | 0 | 116.1 | H613 S1431 | H613-G1457 PolarHBondContact O-N 2.74Å; S1431-G1457 WeakPolarHBondContact CA-O 3.44Å; S1431-G1457 PolarHBondContact OG-O 3.25Å | |
| 1458 | S | 84.3 | Confident | 84.7 | Confident | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.007 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -45.5 | 163.6 | 156.3 | 70.6 | 0 | 0 | 0 | 0 | 114.8 | P630 S1431 V1432 R1456 T1460 H1461 | P630-S1458 WeakPolarHBondContact CB-OG 3.32Å; P630-S1458 WeakPolarHBondContact CG-OG 3.33Å; P630-S1458 PolarHBondContact O-OG 2.69Å; S1431-S1458 VanDerWaalsContact OG-CA 3.31Å; S1431-S1458 WeakPolarHBondContact OG-CA 3.49Å; V1432-S1458 WeakPolarHBondContact O-CB 3.24Å; R1456-S1458 WeakPolarHBondContact O-CB 3.21Å; R1456-S1458 PolarHBondContact O-N 2.81Å; R1456-S1458 PolarHBondContact O-OG 3.24Å; S1458-T1460 PolarHBondContact O-N 3.34Å; S1458-H1461 PolarHBondContact O-N 2.97Å; S1458-H1461 WeakPolarHBondContact OG-CB 3.27Å |
| 1459 | P | 82.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -67.5 | -51.2 | -147.1 | -31.3 | 39.8 | 0 | 0 | 0 | 114.3 | P630 V1398 L1401 E1402 P1428 S1431 | P630-P1459 WeakPolarHBondContact O-CD 3.39Å; V1398-P1459 HydrophobicContact CG1-CG 3.42Å; V1398-P1459 VanDerWaalsContact CG1-CG 3.42Å; V1398-P1459 VanDerWaalsContact O-CG 3.28Å; V1398-P1459 WeakPolarHBondContact O-CG 3.36Å; L1401-P1459 VanDerWaalsContact C-CB 3.5Å; L1401-P1459 HydrophobicContact CB-CB 3.87Å; L1401-P1459 HydrophobicContact CB-CG 3.92Å; L1401-P1459 HydrophobicContact CD2-CB 4Å; L1401-P1459 HydrophobicContact CD2-CG 4.07Å; L1401-P1459 HydrophobicContact CG-CB 3.73Å; L1401-P1459 HydrophobicContact CG-CG 4.13Å; E1402-P1459 HydrophobicContact CB-CB 4.33Å; E1402-P1459 HydrophobicContact CG-CB 3.73Å; E1402-P1459 HydrophobicContact CG-CG 3.75Å; P1428-P1459 WeakPolarHBondContact CB-O 3.35Å; P1428-P1459 WeakPolarHBondContact CG-O 3.4Å; S1431-P1459 VanDerWaalsContact OG-CA 3.28Å; S1431-P1459 WeakPolarHBondContact OG-CA 3.26Å; S1431-P1459 WeakPolarHBondContact OG-CD 3.33Å; S1431-P1459 WeakPolarHBondContact OG-CG 3.26Å; S1431-P1459 VanDerWaalsContact OG-N 3.12Å |
| 1460 | T | 88.5 | Confident | 84.7 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -79.6 | -46.8 | 178.7 | 121.7 | 0 | 0 | 0 | 0 | 107 | H613 N631 V632 L1401 V1405 S1458 E1462 C1549 | H613-T1460 PolarHBondContact CD2-O 2.93Å; H613-T1460 PolarHBondContact NE2-O 3.21Å; N631-T1460 VanDerWaalsContact C-OG1 3.31Å; N631-T1460 WeakPolarHBondContact CA-OG1 3.3Å; N631-T1460 HydrophobicContact CB-CG2 4Å; N631-T1460 VanDerWaalsContact CG-OG1 3.23Å; N631-T1460 WeakPolarHBondContact ND2-CG2 3.36Å; N631-T1460 PolarHBondContact ND2-OG1 2.74Å; N631-T1460 PolarHBondContact OD1-OG1 3.05Å; V632-T1460 WeakPolarHBondContact CG2-O 3.5Å; V632-T1460 WeakPolarHBondContact CG2-OG1 3.42Å; V632-T1460 PolarHBondContact N-OG1 2.7Å; L1401-T1460 HydrophobicContact CD1-CG2 3.88Å; L1401-T1460 HydrophobicContact CD2-CG2 3.68Å; L1401-T1460 HydrophobicContact CG-CG2 3.72Å; V1405-T1460 HydrophobicContact CG2-CG2 3.47Å; V1405-T1460 VanDerWaalsContact CG2-CG2 3.47Å; S1458-T1460 PolarHBondContact O-N 3.34Å; T1460-E1462 PolarHBondContact O-N 3.47Å; T1460-C1549 PolarHBondContact OG1-SG 2.98Å |
| 1461 | H | 85.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -5.8 | -69.5 | -163.9 | 178.3 | 38.9 | 0 | 0 | 0 | 119.7 | C609 I610 H613 N631 V632 L635 M1455 R1456 S1458 | C609-H1461 PolarHBondContact O-CE1 3.44Å; C609-H1461 PolarHBondContact O-NE2 3.3Å; I610-H1461 VanDerWaalsContact CA-CE1 3.49Å; I610-H1461 WeakPolarHBondContact CA-CE1 3.37Å; I610-H1461 WeakPolarHBondContact CG2-O 2.94Å; I610-H1461 PolarHBondContact O-NE2 3.47Å; H613-H1461 WeakPolarHBondContact CA-CD2 3.37Å; H613-H1461 WeakPolarHBondContact CA-NE2 3.45Å; H613-H1461 VanDerWaalsContact CD2-C 3.49Å; H613-H1461 PolarHBondContact CE1-O 3.07Å; H613-H1461 AromaticContact ND1-CD2 3.88Å; H613-H1461 AromaticContact ND1-NE2 3.78Å; H613-H1461 PolarHBondContact ND1-O 3.18Å; H613-H1461 VanDerWaalsContact ND1-O 3.11Å; H613-H1461 PolarHBondContact NE2-O 2.73Å; N631-H1461 VanDerWaalsContact C-N 3.29Å; N631-H1461 VanDerWaalsContact N-N 3.18Å; V632-H1461 WeakPolarHBondContact CA-O 3.43Å; V632-H1461 VanDerWaalsContact CB-O 3.29Å; V632-H1461 WeakPolarHBondContact CB-O 3.41Å; V632-H1461 WeakPolarHBondContact CG1-O 3.24Å; V632-H1461 VanDerWaalsContact CG2-C 3.45Å; V632-H1461 WeakPolarHBondContact CG2-O 3.2Å; L635-H1461 WeakPolarHBondContact CD1-CE1 3.49Å; M1455-H1461 HydrophobicContact CB-CB 4.18Å; M1455-H1461 WeakPolarHBondContact CB-CE1 3.35Å; M1455-H1461 WeakPolarHBondContact CB-ND1 3.45Å; M1455-H1461 HydrophobicContact CG-CB 4.15Å; M1455-H1461 VanDerWaalsContact CG-CG 3.46Å; M1455-H1461 WeakPolarHBondContact CG-ND1 3.38Å; M1455-H1461 HydrophobicContact SD-CB 3.63Å; M1455-H1461 PolarHBondContact SD-ND1 3.29Å; R1456-H1461 VanDerWaalsContact C-CD2 3.45Å; S1458-H1461 PolarHBondContact O-N 2.97Å; S1458-H1461 WeakPolarHBondContact OG-CB 3.27Å |
| 1462 | E | 83.4 | Confident | 84.8 | Confident | 14 Ų | 14 | 17.3 Ų | 17.3 | 7% | 0.065 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -36.9 | -72.1 | 162.3 | -86 | -65.5 | -12.1 | 0 | 0 | 118.2 | S611 T612 H613 I1425 L1426 T1460 K1465 W1466 | S611-E1462 WeakPolarHBondContact CA-OE1 3.41Å; S611-E1462 WeakPolarHBondContact CA-OE2 3.16Å; S611-E1462 WeakPolarHBondContact CB-OE1 3.36Å; T612-E1462 VanDerWaalsContact C-OE2 3.28Å; T612-E1462 WeakPolarHBondContact CA-OE2 3.37Å; T612-E1462 PolarHBondContact N-OE2 2.87Å; H613-E1462 HydrophobicContact CB-CB 3.83Å; H613-E1462 HydrophobicContact CB-CG 3.56Å; H613-E1462 VanDerWaalsContact CD2-C 3.43Å; H613-E1462 WeakPolarHBondContact CD2-CA 3.44Å; H613-E1462 WeakPolarHBondContact CD2-CB 3.37Å; H613-E1462 PolarHBondContact CD2-N 3.38Å; H613-E1462 WeakPolarHBondContact CE1-CA 3.42Å; H613-E1462 PolarHBondContact CE1-N 3.07Å; H613-E1462 PolarHBondContact CE1-O 2.92Å; H613-E1462 PolarHBondContact N-OE2 3.18Å; H613-E1462 WeakPolarHBondContact ND1-CA 3.24Å; H613-E1462 PolarHBondContact ND1-N 3.15Å; H613-E1462 WeakPolarHBondContact NE2-CA 3.36Å; H613-E1462 WeakPolarHBondContact NE2-CB 3.32Å; H613-E1462 PolarHBondContact NE2-N 3.44Å; H613-E1462 PolarHBondContact NE2-O 3.19Å; I1425-E1462 HydrophobicContact CG2-CB 4.25Å; I1425-E1462 HydrophobicContact CG2-CG 3.46Å; I1425-E1462 VanDerWaalsContact CG2-CG 3.46Å; I1425-E1462 WeakPolarHBondContact CG2-OE1 3.22Å; I1425-E1462 WeakPolarHBondContact O-CB 3.25Å; I1425-E1462 WeakPolarHBondContact O-CG 3.25Å; L1426-E1462 VanDerWaalsContact CA-CB 3.45Å; L1426-E1462 HydrophobicContact CB-CB 4.49Å; L1426-E1462 HydrophobicContact CD2-CB 3.96Å; T1460-E1462 PolarHBondContact O-N 3.47Å; E1462-K1465 PolarHBondContact O-N 2.71Å; E1462-W1466 PolarHBondContact O-N 3.28Å |
| 1463 | L | 88.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -2.8 | -96.3 | 148.9 | 174 | 52.3 | 0 | 0 | 0 | 118.7 | H613 V632 V1405 L1409 L1412 K1465 W1466 L1467 | H613-L1463 PolarHBondContact CE1-N 2.92Å; H613-L1463 PolarHBondContact NE2-N 3.24Å; V632-L1463 HydrophobicContact CG2-CB 3.81Å; V632-L1463 HydrophobicContact CG2-CG 4.13Å; V1405-L1463 HydrophobicContact CG1-CD2 3.93Å; L1409-L1463 HydrophobicContact CD2-CB 4.16Å; L1409-L1463 HydrophobicContact CD2-CD1 3.94Å; L1409-L1463 HydrophobicContact CD2-CD2 4.48Å; L1409-L1463 HydrophobicContact CD2-CG 4.39Å; L1412-L1463 HydrophobicContact CD1-CD1 4.17Å; L1463-K1465 VanDerWaalsContact C-N 3.3Å; L1463-K1465 PolarHBondContact O-N 3.03Å; L1463-W1466 HydrophobicContact CD1-CE3 4.34Å; L1463-W1466 HydrophobicContact CD1-CZ3 4.47Å; L1463-W1466 CarbonylContact O-C 3.31Å; L1463-W1466 WeakPolarHBondContact O-CA 3.47Å; L1463-W1466 WeakPolarHBondContact O-CB 3.5Å; L1463-W1466 PolarHBondContact O-N 2.8Å; L1463-L1467 HydrophobicContact CD1-CD1 4.32Å; L1463-L1467 HydrophobicContact CD1-CG 4.36Å; L1463-L1467 PolarHBondContact O-N 3.08Å |
| 1464 | A | 88 | Confident | 84.4 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -75.2 | 4.3 | -174 | 0 | 0 | 0 | 0 | 0 | 116.7 | V632 W1466 L1467 V1468 L1574 | V632-A1464 HydrophobicContact CB-CB 3.35Å; V632-A1464 HydrophobicContact CG1-CB 3.35Å; V632-A1464 HydrophobicContact CG2-CB 4.13Å; V632-A1464 VanDerWaalsContact CG2-N 3.33Å; V632-A1464 WeakPolarHBondContact O-CB 3.43Å; A1464-W1466 VanDerWaalsContact C-N 3.27Å; A1464-L1467 HydrophobicContact CB-CB 3.76Å; A1464-L1467 HydrophobicContact CB-CD1 3.61Å; A1464-L1467 HydrophobicContact CB-CG 3.94Å; A1464-V1468 WeakPolarHBondContact O-CG2 3.32Å; A1464-V1468 PolarHBondContact O-N 2.83Å; A1464-L1574 HydrophobicContact CB-CD1 3.55Å; A1464-L1574 HydrophobicContact CB-CD2 4.12Å; A1464-L1574 HydrophobicContact CB-CG 3.78Å |
| 1465 | K | 82.3 | Confident | 84.3 | Confident | 11 Ų | 11 | 22.9 Ų | 22.9 | 5% | 0.048 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -71.2 | -40.3 | 155.3 | -153.3 | -155.7 | -94.4 | 151.6 | 0 | 107.3 | K607 T608 I610 S611 L636 E1462 L1463 V1468 K1469 | K607-K1465 WeakPolarHBondContact O-CE 3.17Å; K607-K1465 PolarHBondContact O-NZ 3.37Å; T608-K1465 PolarHBondContact O-NZ 3.02Å; I610-K1465 HydrophobicContact CB-CB 3.63Å; I610-K1465 HydrophobicContact CB-CD 4.22Å; I610-K1465 HydrophobicContact CB-CG 3.74Å; I610-K1465 HydrophobicContact CG2-CB 3.53Å; I610-K1465 HydrophobicContact CG2-CG 4.18Å; S611-K1465 WeakPolarHBondContact OG-CD 3.09Å; S611-K1465 PolarHBondContact OG-NZ 3.11Å; L636-K1465 HydrophobicContact CD1-CB 4.49Å; L636-K1465 HydrophobicContact CD1-CD 4.44Å; L636-K1465 HydrophobicContact CD1-CG 3.49Å; L636-K1465 VanDerWaalsContact CD1-CG 3.49Å; L636-K1465 HydrophobicContact CD2-CD 4.45Å; L636-K1465 HydrophobicContact CD2-CG 4.22Å; L636-K1465 HydrophobicContact CG-CG 3.88Å; E1462-K1465 PolarHBondContact O-N 2.71Å; L1463-K1465 VanDerWaalsContact C-N 3.3Å; L1463-K1465 PolarHBondContact O-N 3.03Å; K1465-V1468 CarbonylContact O-C 3.09Å; K1465-V1468 PolarHBondContact O-N 2.93Å; K1465-K1469 WeakPolarHBondContact O-CG 3.16Å; K1465-K1469 PolarHBondContact O-N 2.79Å |
| 1466 | W | 90.6 | Very high | 83.8 | Confident | 15 Ų | 15 | 25.9 Ų | 25.9 | 6% | 0.057 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.6 | -39.6 | 170.3 | 165.5 | 107.6 | 0 | 0 | 0 | 111.1 | L1412 V1417 I1418 E1422 L1426 E1462 L1463 A1464 V1468 K1469 L1470 I1537 | L1412-W1466 HydrophobicContact CD1-CH2 3.96Å; L1412-W1466 HydrophobicContact CD1-CZ3 3.71Å; L1412-W1466 HydrophobicContact CD2-CH2 4.09Å; V1417-W1466 HydrophobicContact CG1-CH2 3.83Å; V1417-W1466 HydrophobicContact CG1-CZ2 3.84Å; V1417-W1466 WeakPolarHBondContact O-CZ2 3.44Å; I1418-W1466 HydrophobicContact CG2-CD2 4.15Å; I1418-W1466 HydrophobicContact CG2-CH2 3.85Å; I1418-W1466 HydrophobicContact CG2-CZ2 3.19Å; E1422-W1466 PolarHBondContact OE1-NE1 2.83Å; L1426-W1466 HydrophobicContact CD1-CB 4.43Å; L1426-W1466 HydrophobicContact CD1-CD2 4.01Å; L1426-W1466 HydrophobicContact CD1-CE3 4.2Å; L1426-W1466 HydrophobicContact CD1-CG 4.07Å; L1426-W1466 HydrophobicContact CD2-CB 4.02Å; L1426-W1466 HydrophobicContact CD2-CG 4.31Å; E1462-W1466 PolarHBondContact O-N 3.28Å; L1463-W1466 HydrophobicContact CD1-CE3 4.34Å; L1463-W1466 HydrophobicContact CD1-CZ3 4.47Å; L1463-W1466 CarbonylContact O-C 3.31Å; L1463-W1466 WeakPolarHBondContact O-CA 3.47Å; L1463-W1466 WeakPolarHBondContact O-CB 3.5Å; L1463-W1466 PolarHBondContact O-N 2.8Å; A1464-W1466 VanDerWaalsContact C-N 3.27Å; W1466-V1468 PolarHBondContact O-N 3.21Å; W1466-K1469 WeakPolarHBondContact O-CB 3.42Å; W1466-K1469 PolarHBondContact O-N 3.06Å; W1466-L1470 HydrophobicContact CH2-CD2 4.17Å; W1466-L1470 HydrophobicContact CZ2-CD2 4.5Å; W1466-L1470 WeakPolarHBondContact O-CB 3.42Å; W1466-L1470 PolarHBondContact O-N 3.26Å; W1466-I1537 HydrophobicContact CH2-CD1 3.97Å; W1466-I1537 HydrophobicContact CZ3-CD1 4.29Å |
| 1467 | L | 90.7 | Very high | 84 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.7 | -40 | 167.8 | -64.5 | 173.2 | 0 | 0 | 0 | 113.8 | L1463 A1464 L1470 L1471 I1537 L1542 L1545 L1574 | L1463-L1467 HydrophobicContact CD1-CD1 4.32Å; L1463-L1467 HydrophobicContact CD1-CG 4.36Å; L1463-L1467 PolarHBondContact O-N 3.08Å; A1464-L1467 HydrophobicContact CB-CB 3.76Å; A1464-L1467 HydrophobicContact CB-CD1 3.61Å; A1464-L1467 HydrophobicContact CB-CG 3.94Å; L1467-L1470 HydrophobicContact CD2-CD2 4.3Å; L1467-L1470 CarbonylContact O-C 2.76Å; L1467-L1470 WeakPolarHBondContact O-CB 3.45Å; L1467-L1470 PolarHBondContact O-N 3.48Å; L1467-L1471 HydrophobicContact CB-CD1 4.34Å; L1467-L1471 VanDerWaalsContact O-CB 3.32Å; L1467-L1471 WeakPolarHBondContact O-CB 3.42Å; L1467-L1471 WeakPolarHBondContact O-CD1 3.31Å; L1467-L1471 VanDerWaalsContact O-CG 3.24Å; L1467-L1471 WeakPolarHBondContact O-CG 3.33Å; L1467-L1471 PolarHBondContact O-N 3.04Å; L1467-I1537 HydrophobicContact CD2-CD1 3.7Å; L1467-L1542 HydrophobicContact CD2-CD1 4.33Å; L1467-L1545 HydrophobicContact CD1-CB 3.89Å; L1467-L1545 HydrophobicContact CD2-CD1 4.43Å; L1467-L1574 HydrophobicContact CB-CD2 4.16Å; L1467-L1574 HydrophobicContact CD1-CD1 4.4Å |
| 1468 | V | 89.5 | Confident | 84.6 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -73.9 | -27.1 | 175.2 | 179.2 | 0 | 0 | 0 | 0 | 112 | L636 A1464 K1465 W1466 L1470 N1472 P1573 L1574 L1577 | L636-V1468 HydrophobicContact CD1-CB 3.47Å; L636-V1468 VanDerWaalsContact CD1-CB 3.47Å; L636-V1468 HydrophobicContact CD1-CG1 3.49Å; L636-V1468 VanDerWaalsContact CD1-CG1 3.49Å; L636-V1468 HydrophobicContact CD1-CG2 3.89Å; A1464-V1468 WeakPolarHBondContact O-CG2 3.32Å; A1464-V1468 PolarHBondContact O-N 2.83Å; K1465-V1468 CarbonylContact O-C 3.09Å; K1465-V1468 PolarHBondContact O-N 2.93Å; W1466-V1468 PolarHBondContact O-N 3.21Å; V1468-L1470 VanDerWaalsContact C-N 3.31Å; V1468-N1472 VanDerWaalsContact O-CB 3.28Å; V1468-N1472 WeakPolarHBondContact O-CB 3.41Å; V1468-N1472 VanDerWaalsContact O-CG 3.23Å; V1468-N1472 PolarHBondContact O-N 2.81Å; V1468-N1472 PolarHBondContact O-ND2 3.37Å; V1468-P1573 WeakPolarHBondContact CG2-O 3.36Å; V1468-L1574 HydrophobicContact CG2-CD2 3.73Å; V1468-L1574 HydrophobicContact CG2-CG 4.42Å; V1468-L1577 HydrophobicContact CG1-CD1 4.48Å; V1468-L1577 HydrophobicContact CG2-CD2 4.3Å |
| 1469 | K | 82.9 | Confident | 84.6 | Confident | 116 Ų | 116 | 26.4 Ų | 26.4 | 50% | 0.504 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -59.2 | -48.6 | 166.3 | -75 | 177.3 | -179.9 | 176.1 | 0 | 108.7 | K1465 W1466 | K1465-K1469 WeakPolarHBondContact O-CG 3.16Å; K1465-K1469 PolarHBondContact O-N 2.79Å; W1466-K1469 WeakPolarHBondContact O-CB 3.42Å; W1466-K1469 PolarHBondContact O-N 3.06Å |
| 1470 | L | 87.1 | Confident | 84.6 | Confident | 44 Ų | 44 | 32 Ų | 32 | 23% | 0.23 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.6 | -39.2 | -179.8 | -169.4 | 69.8 | 0 | 0 | 0 | 113.3 | W1466 L1467 V1468 P1473 F1535 P1536 I1537 | W1466-L1470 HydrophobicContact CH2-CD2 4.17Å; W1466-L1470 HydrophobicContact CZ2-CD2 4.5Å; W1466-L1470 WeakPolarHBondContact O-CB 3.42Å; W1466-L1470 PolarHBondContact O-N 3.26Å; L1467-L1470 HydrophobicContact CD2-CD2 4.3Å; L1467-L1470 CarbonylContact O-C 2.76Å; L1467-L1470 WeakPolarHBondContact O-CB 3.45Å; L1467-L1470 PolarHBondContact O-N 3.48Å; V1468-L1470 VanDerWaalsContact C-N 3.31Å; L1470-P1473 VanDerWaalsContact O-CD 3.31Å; L1470-P1473 WeakPolarHBondContact O-CD 3.4Å; L1470-F1535 HydrophobicContact CD1-CE2 4.45Å; L1470-F1535 HydrophobicContact CD2-CE1 4.35Å; L1470-F1535 HydrophobicContact CD2-CE2 4.19Å; L1470-F1535 HydrophobicContact CD2-CZ 3.61Å; L1470-F1535 HydrophobicContact CG-CE2 3.82Å; L1470-F1535 HydrophobicContact CG-CZ 3.71Å; L1470-P1536 HydrophobicContact CD1-CG 4.04Å; L1470-I1537 HydrophobicContact CD2-CD1 3.49Å; L1470-I1537 VanDerWaalsContact CD2-CD1 3.49Å; L1470-I1537 HydrophobicContact CD2-CG1 4.11Å |
| 1471 | L | 90.6 | Very high | 84.6 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -92.6 | -5 | -176.3 | -64.7 | 162.6 | 0 | 0 | 0 | 114 | L1467 I1474 R1475 I1528 F1535 L1542 L1546 L1574 L1577 | L1467-L1471 HydrophobicContact CB-CD1 4.34Å; L1467-L1471 VanDerWaalsContact O-CB 3.32Å; L1467-L1471 WeakPolarHBondContact O-CB 3.42Å; L1467-L1471 WeakPolarHBondContact O-CD1 3.31Å; L1467-L1471 VanDerWaalsContact O-CG 3.24Å; L1467-L1471 WeakPolarHBondContact O-CG 3.33Å; L1467-L1471 PolarHBondContact O-N 3.04Å; L1471-I1474 HydrophobicContact CD2-CD1 4.07Å; L1471-R1475 PolarHBondContact O-N 3.26Å; L1471-I1528 HydrophobicContact CD2-CD1 3.58Å; L1471-F1535 HydrophobicContact CD2-CE1 4.22Å; L1471-F1535 HydrophobicContact CD2-CE2 4.01Å; L1471-F1535 HydrophobicContact CD2-CZ 3.49Å; L1471-F1535 VanDerWaalsContact CD2-CZ 3.49Å; L1471-F1535 HydrophobicContact CG-CZ 4.22Å; L1471-L1542 HydrophobicContact CD1-CD1 4.29Å; L1471-L1542 HydrophobicContact CD2-CD2 4.29Å; L1471-L1546 HydrophobicContact CD1-CD2 4.48Å; L1471-L1574 HydrophobicContact CD1-CD2 4.4Å; L1471-L1577 HydrophobicContact CB-CD1 4.21Å; L1471-L1577 HydrophobicContact CB-CD2 3.83Å; L1471-L1577 HydrophobicContact CD1-CD2 3.44Å; L1471-L1577 VanDerWaalsContact CD1-CD2 3.44Å; L1471-L1577 HydrophobicContact CG-CD2 4.24Å |
| 1472 | N | 83.1 | Confident | 84.5 | Confident | 55 Ų | 55 | 34 Ų | 34 | 29% | 0.294 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.8 | -34.6 | 177.2 | -102.7 | -56.4 | 0 | 0 | 0 | 115.2 | V1468 R1475 | V1468-N1472 VanDerWaalsContact O-CB 3.28Å; V1468-N1472 WeakPolarHBondContact O-CB 3.41Å; V1468-N1472 VanDerWaalsContact O-CG 3.23Å; V1468-N1472 PolarHBondContact O-N 2.81Å; V1468-N1472 PolarHBondContact O-ND2 3.37Å; N1472-R1475 PolarHBondContact OD1-NE 2.96Å; N1472-R1475 PolarHBondContact OD1-NH2 3Å |
| 1473 | P | 79 | Confident | 84.6 | Confident | 87 Ų | 87 | 33.4 Ų | 33.4 | 57% | 0.565 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -65.5 | -55.8 | 176.9 | -22.4 | 34.8 | 0 | 0 | 0 | 112.2 | L1470 R1475 A1476 | L1470-P1473 VanDerWaalsContact O-CD 3.31Å; L1470-P1473 WeakPolarHBondContact O-CD 3.4Å; P1473-R1475 PolarHBondContact O-N 2.76Å; P1473-R1475 VanDerWaalsContact O-N 3.13Å; P1473-A1476 WeakPolarHBondContact O-CB 3.34Å; P1473-A1476 PolarHBondContact O-N 3.3Å |
| 1474 | I | 83 | Confident | 83.7 | Confident | 7 Ų | 7 | 38.8 Ų | 38.8 | 4% | 0.036 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -48.2 | -44.2 | 177.7 | -70.1 | 152.9 | 0 | 0 | 0 | 111.7 | L1471 A1476 N1477 L1478 Y1527 I1528 F1532 F1535 | L1471-I1474 HydrophobicContact CD2-CD1 4.07Å; I1474-A1476 PolarHBondContact O-N 3.15Å; I1474-N1477 PolarHBondContact O-N 2.61Å; I1474-N1477 VanDerWaalsContact O-N 3.08Å; I1474-L1478 PolarHBondContact O-N 3.06Å; I1474-L1478 VanDerWaalsContact O-N 3.13Å; I1474-Y1527 HydrophobicContact CG2-CD1 4.27Å; I1474-Y1527 HydrophobicContact CG2-CE1 4.14Å; I1474-I1528 HydrophobicContact CD1-CD1 4.11Å; I1474-I1528 HydrophobicContact CD1-CG1 4.05Å; I1474-I1528 HydrophobicContact CG2-CG1 4.01Å; I1474-F1532 HydrophobicContact CB-CD2 4.48Å; I1474-F1532 HydrophobicContact CB-CE2 4.18Å; I1474-F1532 HydrophobicContact CB-CZ 4.28Å; I1474-F1532 HydrophobicContact CG1-CD1 3.89Å; I1474-F1532 HydrophobicContact CG1-CD2 3.86Å; I1474-F1532 HydrophobicContact CG1-CE1 3.95Å; I1474-F1532 HydrophobicContact CG1-CE2 3.94Å; I1474-F1532 HydrophobicContact CG1-CG 3.85Å; I1474-F1532 HydrophobicContact CG1-CZ 3.97Å; I1474-F1532 HydrophobicContact CG2-CD2 4.09Å; I1474-F1532 HydrophobicContact CG2-CE2 3.83Å; I1474-F1532 HydrophobicContact CG2-CZ 4.4Å; I1474-F1535 HydrophobicContact CD1-CD2 3.48Å; I1474-F1535 VanDerWaalsContact CD1-CD2 3.48Å; I1474-F1535 HydrophobicContact CD1-CE2 3.41Å; I1474-F1535 VanDerWaalsContact CD1-CE2 3.41Å; I1474-F1535 HydrophobicContact CD1-CG 4.39Å; I1474-F1535 HydrophobicContact CD1-CZ 4.28Å |
| 1475 | R | 81.7 | Confident | 82.5 | Confident | 26 Ų | 26 | 40 Ų | 40 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.5 | -34.1 | -179.4 | 176.8 | 173.3 | 75.3 | 130.1 | -6.5 | 114.3 | L1471 N1472 P1473 N1477 L1478 C1479 E1580 | L1471-R1475 PolarHBondContact O-N 3.26Å; N1472-R1475 PolarHBondContact OD1-NE 2.96Å; N1472-R1475 PolarHBondContact OD1-NH2 3Å; P1473-R1475 PolarHBondContact O-N 2.76Å; P1473-R1475 VanDerWaalsContact O-N 3.13Å; R1475-N1477 PolarHBondContact O-N 3.21Å; R1475-L1478 PolarHBondContact O-N 3.1Å; R1475-C1479 HydrophobicContact CG-CB 4.25Å; R1475-C1479 PolarHBondContact O-N 2.72Å; R1475-E1580 WeakPolarHBondContact CD-OE2 3.49Å; R1475-E1580 IonicContact CZ-OE2 3.58Å; R1475-E1580 IonicContact NE-OE2 3.68Å; R1475-E1580 VanDerWaalsContact NH1-CD 3.34Å; R1475-E1580 IonicContact NH1-OE1 2.92Å; R1475-E1580 PolarHBondContact NH1-OE1 3.49Å; R1475-E1580 IonicContact NH1-OE2 2.67Å; R1475-E1580 PolarHBondContact NH1-OE2 2.81Å |
| 1476 | A | 71.9 | Confident | 81.8 | Confident | 63 Ų | 63 | 39.5 Ų | 39.5 | 52% | 0.521 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.1 | -26.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1473 I1474 | P1473-A1476 WeakPolarHBondContact O-CB 3.34Å; P1473-A1476 PolarHBondContact O-N 3.3Å; I1474-A1476 PolarHBondContact O-N 3.15Å |
| 1477 | N | 78.1 | Confident | 80.7 | Confident | 101 Ų | 101 | 40.1 Ų | 40.1 | 54% | 0.54 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -93 | -45.6 | 178.7 | -59.9 | 9.5 | 0 | 0 | 0 | 111.1 | I1474 R1475 | I1474-N1477 PolarHBondContact O-N 2.61Å; I1474-N1477 VanDerWaalsContact O-N 3.08Å; R1475-N1477 PolarHBondContact O-N 3.21Å |
| 1478 | L | 85.3 | Confident | 79.9 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.3 | -49.8 | -179.8 | 178.7 | 49.1 | 0 | 0 | 0 | 112.3 | I1474 R1475 K1480 F1523 L1524 Y1527 V1581 | I1474-L1478 PolarHBondContact O-N 3.06Å; I1474-L1478 VanDerWaalsContact O-N 3.13Å; R1475-L1478 PolarHBondContact O-N 3.1Å; L1478-K1480 VanDerWaalsContact C-N 3.32Å; L1478-K1480 PolarHBondContact O-N 2.82Å; L1478-F1523 HydrophobicContact CD1-CE1 4.02Å; L1478-F1523 HydrophobicContact CD1-CZ 4.05Å; L1478-L1524 HydrophobicContact CD2-CD1 3.73Å; L1478-Y1527 HydrophobicContact CB-CD1 4.01Å; L1478-Y1527 HydrophobicContact CB-CE1 3.57Å; L1478-Y1527 HydrophobicContact CD1-CD1 3.91Å; L1478-Y1527 HydrophobicContact CD1-CD2 3.75Å; L1478-Y1527 HydrophobicContact CD1-CE1 4.03Å; L1478-Y1527 HydrophobicContact CD1-CE2 3.9Å; L1478-Y1527 HydrophobicContact CD1-CG 3.76Å; L1478-Y1527 HydrophobicContact CD2-CD1 3.76Å; L1478-Y1527 HydrophobicContact CD2-CE1 4.21Å; L1478-Y1527 HydrophobicContact CD2-CG 4.15Å; L1478-Y1527 HydrophobicContact CG-CD1 4.1Å; L1478-Y1527 HydrophobicContact CG-CE1 4.13Å; L1478-Y1527 HydrophobicContact CG-CG 4.42Å; L1478-V1581 HydrophobicContact CD2-CG1 4.26Å; L1478-V1581 HydrophobicContact CD2-CG2 3.75Å |
| 1479 | C | 84.3 | Confident | 79.2 | Confident | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.034 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 57.3 | -175.9 | -58.6 | 0 | 0 | 0 | 0 | 110.4 | R1475 F1481 S1482 S1584 | R1475-C1479 HydrophobicContact CG-CB 4.25Å; R1475-C1479 PolarHBondContact O-N 2.72Å; C1479-F1481 PolarHBondContact O-N 2.91Å; C1479-F1481 VanDerWaalsContact O-N 3.11Å; C1479-S1482 WeakPolarHBondContact O-CB 3.3Å; C1479-S1482 PolarHBondContact O-N 2.83Å; C1479-S1584 WeakPolarHBondContact CA-OG 3.22Å; C1479-S1584 PolarHBondContact SG-OG 2.92Å; C1479-S1584 VanDerWaalsContact SG-OG 3.36Å |
| 1480 | K | 82.3 | Confident | 78.5 | Confident | 118 Ų | 118 | 36.3 Ų | 36.3 | 51% | 0.513 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -28.3 | -174.1 | 63.4 | -173.7 | 176.1 | -177.9 | 0 | 115.2 | L1478 | L1478-K1480 VanDerWaalsContact C-N 3.32Å; L1478-K1480 PolarHBondContact O-N 2.82Å |
| 1481 | F | 88.5 | Confident | 77.6 | Confident | 30 Ų | 30 | 38.9 Ų | 38.9 | 13% | 0.132 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -8.6 | 176.8 | -56.1 | -64.5 | 0 | 0 | 0 | 114.1 | C1479 E1587 I1594 Y1600 R1602 | C1479-F1481 PolarHBondContact O-N 2.91Å; C1479-F1481 VanDerWaalsContact O-N 3.11Å; F1481-E1587 WeakPolarHBondContact CB-OE1 3.35Å; F1481-E1587 HydrophobicContact CD2-CB 3.91Å; F1481-E1587 HydrophobicContact CD2-CG 4.09Å; F1481-E1587 HydrophobicContact CE2-CB 4.14Å; F1481-I1594 HydrophobicContact CE1-CG2 3.87Å; F1481-I1594 HydrophobicContact CE2-CG2 4.06Å; F1481-I1594 HydrophobicContact CZ-CG2 3.51Å; F1481-Y1600 HydrophobicContact CB-CD1 3.97Å; F1481-Y1600 HydrophobicContact CB-CE1 4.1Å; F1481-Y1600 AromaticContact CD1-CD1 3.9Å; F1481-Y1600 HydrophobicContact CD1-CD1 3.9Å; F1481-Y1600 HydrophobicContact CD2-CD1 4.26Å; F1481-Y1600 HydrophobicContact CD2-CE1 4.31Å; F1481-Y1600 HydrophobicContact CE1-CD1 4.42Å; F1481-Y1600 AromaticContact CG-CD1 3.8Å; F1481-Y1600 HydrophobicContact CG-CD1 3.8Å; F1481-Y1600 HydrophobicContact CG-CE1 4.15Å; F1481-R1602 PolarHBondContact O-N 3.05Å |
| 1482 | S | 84.4 | Confident | 76.8 | Confident | 12 Ų | 12 | 42.4 Ų | 42.4 | 8% | 0.084 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -82.2 | 122.1 | -176.7 | 164.9 | 0 | 0 | 0 | 0 | 112.3 | K643 E644 C1479 E1580 | K643-S1482 PolarHBondContact NZ-OG 2.81Å; E644-S1482 WeakPolarHBondContact OE1-CB 3.13Å; E644-S1482 PolarHBondContact OE1-OG 2.85Å; E644-S1482 PolarHBondContact OE2-OG 3.49Å; C1479-S1482 WeakPolarHBondContact O-CB 3.3Å; C1479-S1482 PolarHBondContact O-N 2.83Å; S1482-E1580 PolarHBondContact OG-OE2 2.7Å |
| 1483 | L | 84 | Confident | 76.4 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -87.7 | 140.6 | -169.3 | -59.2 | 164 | 0 | 0 | 0 | 113 | K643 E644 N647 L1489 F1492 R1601 R1602 | K643-L1483 VanDerWaalsContact CE-O 3.24Å; K643-L1483 WeakPolarHBondContact CE-O 3.39Å; K643-L1483 VanDerWaalsContact NZ-C 3.35Å; K643-L1483 PolarHBondContact NZ-O 2.96Å; E644-L1483 PolarHBondContact OE1-N 2.97Å; N647-L1483 HydrophobicContact CB-CB 3.51Å; N647-L1483 HydrophobicContact CB-CD1 3.8Å; N647-L1483 HydrophobicContact CB-CG 4.32Å; N647-L1483 PolarHBondContact ND2-O 3.04Å; N647-L1483 WeakPolarHBondContact OD1-CB 3.22Å; L1483-L1489 HydrophobicContact CD1-CB 4.15Å; L1483-L1489 HydrophobicContact CD1-CD1 3.63Å; L1483-L1489 HydrophobicContact CD1-CD2 3.83Å; L1483-L1489 HydrophobicContact CD1-CG 4.01Å; L1483-L1489 HydrophobicContact CD2-CB 4.18Å; L1483-L1489 HydrophobicContact CD2-CD1 3.74Å; L1483-L1489 HydrophobicContact CD2-CG 4.47Å; L1483-L1489 HydrophobicContact CG-CD1 4.32Å; L1483-F1492 HydrophobicContact CD2-CD2 3.81Å; L1483-F1492 HydrophobicContact CD2-CE2 3.86Å; L1483-R1601 HydrophobicContact CD1-CB 3.83Å; L1483-R1601 HydrophobicContact CD2-CB 3.83Å; L1483-R1601 HydrophobicContact CD2-CG 3.83Å; L1483-R1601 HydrophobicContact CG-CB 3.94Å; L1483-R1601 HydrophobicContact CG-CG 4.49Å; L1483-R1602 WeakPolarHBondContact CG-O 3.17Å; L1483-R1602 PolarHBondContact N-O 3.21Å | ||
| 1484 | K | 70.6 | Confident | 75.6 | Confident | 113 Ų | 113 | 36.4 Ų | 36.4 | 49% | 0.491 | 19% | 0.187 | S | C | . | . | trans | -70.8 | -56.8 | -167 | -82.1 | -177.9 | -154.9 | 63.2 | 0 | 118.4 | K643 N647 E1488 | K643-K1484 VanDerWaalsContact CD-O 3.28Å; K643-K1484 WeakPolarHBondContact CD-O 3.15Å; K643-K1484 WeakPolarHBondContact CE-O 3.21Å; K643-K1484 WeakPolarHBondContact CG-O 2.77Å; K643-K1484 CarbonylContact O-C 3.47Å; N647-K1484 PolarHBondContact OD1-N 3.32Å; K1484-E1488 HydrophobicContact CB-CB 4.37Å; K1484-E1488 VanDerWaalsContact CB-OE2 3.27Å; K1484-E1488 WeakPolarHBondContact CB-OE2 2.96Å; K1484-E1488 WeakPolarHBondContact CD-OE1 3.32Å; K1484-E1488 WeakPolarHBondContact CE-OE1 3.36Å; K1484-E1488 WeakPolarHBondContact CG-OE1 3.5Å; K1484-E1488 VanDerWaalsContact CG-OE2 3.3Å; K1484-E1488 WeakPolarHBondContact CG-OE2 3.11Å; K1484-E1488 PolarHBondContact N-OE2 2.84Å; K1484-E1488 IonicContact NZ-OE1 2.65Å; K1484-E1488 PolarHBondContact NZ-OE1 3.07Å; K1484-E1488 IonicContact NZ-OE2 3.92Å; K1484-E1488 PolarHBondContact NZ-OE2 3.12Å | ||
| 1485 | D | 62.1 | Low | 74.7 | Confident | 27 Ų | 27 | 44 Ų | 44 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -165.8 | 171 | 168 | 79.6 | 78.2 | 0 | 0 | 0 | 105.2 | K600 N647 F1487 E1488 | K600-D1485 HydrophobicContact CD-CB 4.45Å; K600-D1485 VanDerWaalsContact CD-OD1 3.26Å; K600-D1485 WeakPolarHBondContact CD-OD1 3.49Å; K600-D1485 WeakPolarHBondContact CE-OD1 3.46Å; K600-D1485 WeakPolarHBondContact CE-OD2 3.1Å; K600-D1485 IonicContact NZ-OD1 3.01Å; K600-D1485 PolarHBondContact NZ-OD1 3.23Å; K600-D1485 IonicContact NZ-OD2 3.21Å; K600-D1485 PolarHBondContact NZ-OD2 3.3Å; N647-D1485 VanDerWaalsContact CG-CA 3.47Å; N647-D1485 WeakPolarHBondContact ND2-CA 3.05Å; N647-D1485 PolarHBondContact ND2-N 3.09Å; N647-D1485 VanDerWaalsContact ND2-N 3.12Å; N647-D1485 WeakPolarHBondContact OD1-CA 3.4Å; N647-D1485 PolarHBondContact OD1-N 2.9Å; N647-D1485 PolarHBondContact OD1-O 3.38Å; D1485-F1487 PolarHBondContact O-N 3.31Å; D1485-F1487 PolarHBondContact OD1-N 3.16Å; D1485-E1488 PolarHBondContact O-N 3.44Å |
| 1486 | T | 68.9 | Low | 74.4 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -25.8 | -58.3 | 179.8 | -15.7 | 0 | 0 | 0 | 0 | 115.5 | I596 C646 N647 M649 L650 E1488 L1489 | I596-T1486 HydrophobicContact CB-CG2 3.84Å; I596-T1486 HydrophobicContact CD1-CG2 3.95Å; I596-T1486 HydrophobicContact CG1-CG2 3.38Å; I596-T1486 HydrophobicContact CG2-CG2 3.61Å; I596-T1486 WeakPolarHBondContact CG2-OG1 3.49Å; C646-T1486 WeakPolarHBondContact O-CA 3.4Å; C646-T1486 WeakPolarHBondContact O-CB 3.28Å; C646-T1486 WeakPolarHBondContact O-CG2 3.43Å; C646-T1486 PolarHBondContact O-N 2.84Å; C646-T1486 PolarHBondContact O-OG1 3.06Å; C646-T1486 PolarHBondContact SG-OG1 2.93Å; N647-T1486 WeakPolarHBondContact O-CA 3.49Å; M649-T1486 VanDerWaalsContact CA-CG2 3.48Å; M649-T1486 HydrophobicContact CB-CG2 3.63Å; M649-T1486 HydrophobicContact CG-CG2 3.94Å; M649-T1486 WeakPolarHBondContact O-CG2 3.29Å; L650-T1486 HydrophobicContact CB-CG2 3.52Å; L650-T1486 WeakPolarHBondContact CB-O 3.06Å; L650-T1486 HydrophobicContact CD1-CG2 3.82Å; L650-T1486 VanDerWaalsContact CD2-C 3.5Å; L650-T1486 WeakPolarHBondContact CD2-O 3.32Å; L650-T1486 HydrophobicContact CG-CG2 4.2Å; T1486-E1488 PolarHBondContact O-N 2.92Å; T1486-L1489 PolarHBondContact O-N 2.86Å |
| 1487 | F | 67.4 | Low | 74.7 | Confident | 28 Ų | 28 | 45.6 Ų | 45.6 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.5 | 25.3 | -176.2 | -64.7 | -77.7 | 0 | 0 | 0 | 117.8 | I596 K600 L650 D1485 C1746 V1747 | I596-F1487 HydrophobicContact CD1-CZ 4.11Å; I596-F1487 HydrophobicContact CG2-CD2 4.05Å; I596-F1487 HydrophobicContact CG2-CE2 3.32Å; I596-F1487 HydrophobicContact CG2-CZ 3.84Å; K600-F1487 HydrophobicContact CD-CD2 4.06Å; K600-F1487 HydrophobicContact CD-CE2 4.44Å; L650-F1487 HydrophobicContact CD1-CD1 4.19Å; L650-F1487 HydrophobicContact CD1-CE1 4.04Å; L650-F1487 HydrophobicContact CD2-CB 4.23Å; L650-F1487 HydrophobicContact CD2-CD1 3.6Å; L650-F1487 HydrophobicContact CD2-CE1 4.22Å; L650-F1487 HydrophobicContact CD2-CG 4.06Å; D1485-F1487 PolarHBondContact O-N 3.31Å; D1485-F1487 PolarHBondContact OD1-N 3.16Å; F1487-C1746 HydrophobicContact CD1-CB 3.85Å; F1487-C1746 HydrophobicContact CE1-CB 4.05Å; F1487-V1747 HydrophobicContact CE1-CG2 3.93Å; F1487-V1747 HydrophobicContact CZ-CG2 3.88Å |
| 1488 | E | 72.5 | Confident | 74.8 | Confident | 37 Ų | 37 | 40.9 Ų | 40.9 | 17% | 0.173 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -127.9 | -40.6 | 169.9 | 179.7 | 164.7 | -87.1 | 0 | 0 | 113.2 | K1484 D1485 T1486 I1490 D1491 F1492 | K1484-E1488 HydrophobicContact CB-CB 4.37Å; K1484-E1488 VanDerWaalsContact CB-OE2 3.27Å; K1484-E1488 WeakPolarHBondContact CB-OE2 2.96Å; K1484-E1488 WeakPolarHBondContact CD-OE1 3.32Å; K1484-E1488 WeakPolarHBondContact CE-OE1 3.36Å; K1484-E1488 WeakPolarHBondContact CG-OE1 3.5Å; K1484-E1488 VanDerWaalsContact CG-OE2 3.3Å; K1484-E1488 WeakPolarHBondContact CG-OE2 3.11Å; K1484-E1488 PolarHBondContact N-OE2 2.84Å; K1484-E1488 IonicContact NZ-OE1 2.65Å; K1484-E1488 PolarHBondContact NZ-OE1 3.07Å; K1484-E1488 IonicContact NZ-OE2 3.92Å; K1484-E1488 PolarHBondContact NZ-OE2 3.12Å; D1485-E1488 PolarHBondContact O-N 3.44Å; T1486-E1488 PolarHBondContact O-N 2.92Å; E1488-I1490 VanDerWaalsContact C-N 3.3Å; E1488-I1490 PolarHBondContact O-N 3.28Å; E1488-D1491 WeakPolarHBondContact O-CB 3.46Å; E1488-D1491 PolarHBondContact O-N 3.4Å; E1488-D1491 VanDerWaalsContact O-N 3.1Å; E1488-F1492 HydrophobicContact CG-CD2 4.33Å; E1488-F1492 HydrophobicContact CG-CE2 3.84Å |
| 1489 | L | 74.8 | Confident | 74.5 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.6 | -32.1 | -170 | 174 | 60.6 | 0 | 0 | 0 | 113.2 | N647 D648 N651 L1483 T1486 D1491 F1492 L1493 R1601 F1645 | N647-L1489 HydrophobicContact CB-CB 3.94Å; N647-L1489 HydrophobicContact CB-CD2 4.24Å; D648-L1489 HydrophobicContact CB-CD2 3.6Å; D648-L1489 VanDerWaalsContact N-CD2 3.31Å; N651-L1489 HydrophobicContact CB-CD2 3.81Å; N651-L1489 HydrophobicContact CB-CG 4.05Å; N651-L1489 WeakPolarHBondContact ND2-CD1 3.3Å; N651-L1489 WeakPolarHBondContact ND2-CG 3.36Å; N651-L1489 WeakPolarHBondContact OD1-CG 3.28Å; N651-L1489 PolarHBondContact OD1-O 2.78Å; L1483-L1489 HydrophobicContact CD1-CB 4.15Å; L1483-L1489 HydrophobicContact CD1-CD1 3.63Å; L1483-L1489 HydrophobicContact CD1-CD2 3.83Å; L1483-L1489 HydrophobicContact CD1-CG 4.01Å; L1483-L1489 HydrophobicContact CD2-CB 4.18Å; L1483-L1489 HydrophobicContact CD2-CD1 3.74Å; L1483-L1489 HydrophobicContact CD2-CG 4.47Å; L1483-L1489 HydrophobicContact CG-CD1 4.32Å; T1486-L1489 PolarHBondContact O-N 2.86Å; L1489-D1491 PolarHBondContact O-N 2.86Å; L1489-F1492 PolarHBondContact O-N 3.24Å; L1489-L1493 PolarHBondContact O-N 3.25Å; L1489-R1601 HydrophobicContact CD1-CB 4.3Å; L1489-R1601 HydrophobicContact CD1-CG 4.38Å; L1489-F1645 HydrophobicContact CD2-CD1 4.36Å; L1489-F1645 HydrophobicContact CD2-CE1 4.03Å |
| 1490 | I | 68.8 | Low | 74.3 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.8 | -34.3 | 174.6 | -164.1 | 162.4 | 0 | 0 | 0 | 114.5 | L650 L653 I654 E1488 L1493 G1494 R1660 | L650-I1490 HydrophobicContact CB-CB 3.88Å; L650-I1490 HydrophobicContact CD1-CD1 4.42Å; L650-I1490 HydrophobicContact CD2-CB 3.47Å; L650-I1490 VanDerWaalsContact CD2-CB 3.47Å; L650-I1490 HydrophobicContact CD2-CD1 3.9Å; L650-I1490 HydrophobicContact CD2-CG1 4.35Å; L650-I1490 HydrophobicContact CD2-CG2 3.24Å; L650-I1490 HydrophobicContact CG-CB 3.53Å; L650-I1490 HydrophobicContact CG-CD1 3.61Å; L650-I1490 HydrophobicContact CG-CG1 4.15Å; L650-I1490 HydrophobicContact CG-CG2 3.91Å; L650-I1490 WeakPolarHBondContact O-CA 3.36Å; L650-I1490 WeakPolarHBondContact O-CB 3.47Å; L650-I1490 WeakPolarHBondContact O-CD1 3.3Å; L650-I1490 WeakPolarHBondContact O-CG1 3.38Å; L653-I1490 VanDerWaalsContact C-CD1 3.41Å; L653-I1490 VanDerWaalsContact CA-CD1 3.48Å; L653-I1490 HydrophobicContact CB-CD1 3.36Å; L653-I1490 HydrophobicContact CG-CD1 4.37Å; I654-I1490 HydrophobicContact CB-CD1 3.79Å; I654-I1490 HydrophobicContact CB-CG1 3.74Å; I654-I1490 HydrophobicContact CD1-CD1 4.18Å; I654-I1490 HydrophobicContact CD1-CG1 3.98Å; I654-I1490 HydrophobicContact CG1-CD1 3.78Å; I654-I1490 HydrophobicContact CG1-CG1 3.96Å; E1488-I1490 VanDerWaalsContact C-N 3.3Å; E1488-I1490 PolarHBondContact O-N 3.28Å; I1490-L1493 CarbonylContact O-C 3.59Å; I1490-L1493 PolarHBondContact O-N 2.86Å; I1490-G1494 PolarHBondContact O-N 3.13Å; I1490-R1660 PolarHBondContact O-NH1 2.91Å; I1490-R1660 VanDerWaalsContact O-NH1 3.13Å |
| 1491 | D | 68.5 | Low | 74.5 | Confident | 99 Ų | 99 | 48.1 Ų | 48.1 | 53% | 0.529 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -79.9 | -36.4 | -167.8 | -60.2 | -49.4 | 0 | 0 | 0 | 106.4 | E1488 L1489 L1493 G1494 | E1488-D1491 WeakPolarHBondContact O-CB 3.46Å; E1488-D1491 PolarHBondContact O-N 3.4Å; E1488-D1491 VanDerWaalsContact O-N 3.1Å; L1489-D1491 PolarHBondContact O-N 2.86Å; D1491-L1493 PolarHBondContact O-N 3.22Å; D1491-G1494 PolarHBondContact O-N 2.99Å |
| 1492 | F | 73.3 | Confident | 74.2 | Confident | 78 Ų | 78 | 47.4 Ų | 47.4 | 34% | 0.342 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61 | -37.3 | 165.3 | -70.8 | -55.2 | 0 | 0 | 0 | 113.8 | L1483 E1488 L1489 G1494 I1496 L1599 R1601 | L1483-F1492 HydrophobicContact CD2-CD2 3.81Å; L1483-F1492 HydrophobicContact CD2-CE2 3.86Å; E1488-F1492 HydrophobicContact CG-CD2 4.33Å; E1488-F1492 HydrophobicContact CG-CE2 3.84Å; L1489-F1492 PolarHBondContact O-N 3.24Å; F1492-G1494 PolarHBondContact O-N 2.7Å; F1492-I1496 VanDerWaalsContact O-CD1 3.23Å; F1492-I1496 WeakPolarHBondContact O-CD1 3.4Å; F1492-L1599 HydrophobicContact CB-CD1 4.32Å; F1492-R1601 VanDerWaalsContact CE1-NH2 3.29Å |
| 1493 | L | 74.4 | Confident | 74.5 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -1.5 | 172.5 | -103.2 | -159.7 | 0 | 0 | 0 | 113.5 | N651 L1489 I1490 D1491 D1495 I1496 L1599 I1610 I1658 R1660 | N651-L1493 HydrophobicContact CB-CD1 3.81Å; N651-L1493 VanDerWaalsContact CG-CG 3.46Å; N651-L1493 WeakPolarHBondContact ND2-CD1 3.17Å; N651-L1493 WeakPolarHBondContact OD1-CB 3.41Å; N651-L1493 WeakPolarHBondContact OD1-CD1 3.35Å; N651-L1493 WeakPolarHBondContact OD1-CG 2.99Å; L1489-L1493 PolarHBondContact O-N 3.25Å; I1490-L1493 CarbonylContact O-C 3.59Å; I1490-L1493 PolarHBondContact O-N 2.86Å; D1491-L1493 PolarHBondContact O-N 3.22Å; L1493-D1495 PolarHBondContact O-N 3.05Å; L1493-D1495 VanDerWaalsContact O-N 3.14Å; L1493-I1496 HydrophobicContact CD2-CB 3.94Å; L1493-I1496 HydrophobicContact CD2-CD1 4.15Å; L1493-I1496 HydrophobicContact CD2-CG1 4.45Å; L1493-I1496 HydrophobicContact CD2-CG2 4.22Å; L1493-I1496 PolarHBondContact O-N 3.36Å; L1493-L1599 HydrophobicContact CD2-CD2 4.07Å; L1493-L1599 HydrophobicContact CG-CD2 4.32Å; L1493-I1610 HydrophobicContact CD2-CD1 3.61Å; L1493-I1658 HydrophobicContact CD1-CD1 4.22Å; L1493-I1658 HydrophobicContact CD1-CG2 4.29Å; L1493-I1658 HydrophobicContact CD2-CD1 3.76Å; L1493-R1660 VanDerWaalsContact O-CZ 3.27Å; L1493-R1660 PolarHBondContact O-NH1 2.86Å; L1493-R1660 PolarHBondContact O-NH2 3.29Å |
| 1494 | G | 63.8 | Low | 74.6 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -31.5 | -70.7 | -163.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1490 D1491 F1492 R1660 | I1490-G1494 PolarHBondContact O-N 3.13Å; D1491-G1494 PolarHBondContact O-N 2.99Å; F1492-G1494 PolarHBondContact O-N 2.7Å; G1494-R1660 PolarHBondContact O-NH1 2.93Å; G1494-R1660 PolarHBondContact O-NH2 2.94Å |
| 1495 | D | 64.1 | Low | 75.7 | Confident | 168 Ų | 168 | 43.6 Ų | 43.6 | 90% | 0.898 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | 13.1 | -172.1 | -47.9 | -76.2 | 0 | 0 | 0 | 113 | L1493 N1497 | L1493-D1495 PolarHBondContact O-N 3.05Å; L1493-D1495 VanDerWaalsContact O-N 3.14Å; D1495-N1497 PolarHBondContact O-N 2.73Å |
| 1496 | I | 73.8 | Confident | 77 | Confident | 39 Ų | 39 | 42.4 Ų | 42.4 | 20% | 0.2 | 22% | 0.215 | C | C | . | . | trans | -68.2 | 124.7 | -179.4 | -62.6 | -173.6 | 0 | 0 | 0 | 110.2 | F1492 L1493 I1498 T1598 L1599 I1658 | F1492-I1496 VanDerWaalsContact O-CD1 3.23Å; F1492-I1496 WeakPolarHBondContact O-CD1 3.4Å; L1493-I1496 HydrophobicContact CD2-CB 3.94Å; L1493-I1496 HydrophobicContact CD2-CD1 4.15Å; L1493-I1496 HydrophobicContact CD2-CG1 4.45Å; L1493-I1496 HydrophobicContact CD2-CG2 4.22Å; L1493-I1496 PolarHBondContact O-N 3.36Å; I1496-I1498 HydrophobicContact CG2-CG2 3.98Å; I1496-T1598 HydrophobicContact CG2-CG2 4.48Å; I1496-L1599 HydrophobicContact CD1-CB 4.45Å; I1496-L1599 HydrophobicContact CD1-CD2 4.29Å; I1496-I1658 VanDerWaalsContact O-CD1 3.22Å; I1496-I1658 WeakPolarHBondContact O-CD1 3.41Å | ||
| 1497 | N | 79.3 | Confident | 77.8 | Confident | 83 Ų | 83 | 45 Ų | 45 | 44% | 0.444 | 23% | 0.228 | S | C | . | . | trans | -95 | 134.7 | 167.5 | -174.1 | -22.3 | 0 | 0 | 0 | 109.2 | D1495 K1499 G1656 | D1495-N1497 PolarHBondContact O-N 2.73Å; N1497-K1499 WeakPolarHBondContact OD1-CB 3.1Å; N1497-K1499 PolarHBondContact OD1-N 2.72Å; N1497-G1656 VanDerWaalsContact OD1-C 3.25Å; N1497-G1656 VanDerWaalsContact OD1-CA 3.25Å; N1497-G1656 WeakPolarHBondContact OD1-CA 3.25Å; N1497-G1656 PolarHBondContact OD1-O 3.06Å | ||
| 1498 | I | 79.4 | Confident | 78.6 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | trans | -120.7 | 13.2 | -179.3 | 62.8 | 174.2 | 0 | 0 | 0 | 113.8 | I1496 D1500 K1501 L1503 I1610 R1652 G1656 I1658 | I1496-I1498 HydrophobicContact CG2-CG2 3.98Å; I1498-D1500 PolarHBondContact O-N 3.43Å; I1498-K1501 HydrophobicContact CB-CB 4.03Å; I1498-K1501 HydrophobicContact CG2-CB 4.3Å; I1498-K1501 PolarHBondContact O-N 2.95Å; I1498-K1501 VanDerWaalsContact O-O 3.13Å; I1498-L1503 HydrophobicContact CD1-CD1 3.73Å; I1498-L1503 HydrophobicContact CD1-CD2 4.23Å; I1498-L1503 HydrophobicContact CD1-CG 4.05Å; I1498-I1610 HydrophobicContact CG2-CD1 4.42Å; I1498-I1610 HydrophobicContact CG2-CG2 3.76Å; I1498-R1652 HydrophobicContact CD1-CB 4.16Å; I1498-R1652 HydrophobicContact CD1-CG 4.24Å; I1498-R1652 PolarHBondContact O-NH1 2.91Å; I1498-G1656 PolarHBondContact N-O 2.66Å; I1498-I1658 HydrophobicContact CB-CD1 4.44Å; I1498-I1658 HydrophobicContact CD1-CD1 3.97Å; I1498-I1658 HydrophobicContact CD1-CG1 3.68Å; I1498-I1658 HydrophobicContact CD1-CG2 4.17Å; I1498-I1658 HydrophobicContact CG1-CD1 3.99Å; I1498-I1658 HydrophobicContact CG1-CG1 3.74Å; I1498-I1658 HydrophobicContact CG2-CD1 3.75Å; I1498-I1658 HydrophobicContact CG2-CG1 4.48Å | ||
| 1499 | K | 79.2 | Confident | 78.9 | Confident | 132 Ų | 132 | 45.4 Ų | 45.4 | 57% | 0.574 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -40.6 | -44.7 | -175.6 | -165.4 | -176.1 | -179.1 | -170 | 0 | 112.8 | N1497 | N1497-K1499 WeakPolarHBondContact OD1-CB 3.1Å; N1497-K1499 PolarHBondContact OD1-N 2.72Å |
| 1500 | D | 80.9 | Confident | 79.1 | Confident | 87 Ų | 87 | 49 Ų | 49 | 47% | 0.465 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 16.9 | -178 | -62 | -65.3 | 0 | 0 | 0 | 115.8 | I1498 K1613 | I1498-D1500 PolarHBondContact O-N 3.43Å; D1500-K1613 WeakPolarHBondContact O-CD 3.29Å; D1500-K1613 VanDerWaalsContact O-CG 3.31Å; D1500-K1613 WeakPolarHBondContact O-CG 3.43Å; D1500-K1613 IonicContact OD1-NZ 3.29Å; D1500-K1613 PolarHBondContact OD1-NZ 2.99Å |
| 1501 | K | 85.5 | Confident | 80 | Confident | 62 Ų | 62 | 49 Ų | 49 | 27% | 0.27 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 155.5 | -179.7 | -57.4 | -166.9 | 175.1 | -163.7 | 0 | 110.8 | I1498 T1598 I1610 C1611 R1652 | I1498-K1501 HydrophobicContact CB-CB 4.03Å; I1498-K1501 HydrophobicContact CG2-CB 4.3Å; I1498-K1501 PolarHBondContact O-N 2.95Å; I1498-K1501 VanDerWaalsContact O-O 3.13Å; K1501-T1598 HydrophobicContact CD-CG2 3.82Å; K1501-T1598 WeakPolarHBondContact CD-OG1 3.17Å; K1501-T1598 PolarHBondContact NZ-OG1 3.31Å; K1501-I1610 HydrophobicContact CB-CG2 4.15Å; K1501-C1611 CarbonylContact C-O 3.55Å; K1501-C1611 VanDerWaalsContact CA-O 3.25Å; K1501-C1611 WeakPolarHBondContact CA-O 3.26Å; K1501-C1611 WeakPolarHBondContact CB-O 3.36Å; K1501-R1652 PolarHBondContact O-NH1 2.97Å; K1501-R1652 PolarHBondContact O-NH2 3.31Å |
| 1502 | S | 81.9 | Confident | 80.9 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 158.4 | 176.2 | 64.5 | 0 | 0 | 0 | 0 | 112.3 | H1504 I1610 C1611 D1612 | S1502-H1504 WeakPolarHBondContact CB-NE2 3.39Å; S1502-H1504 PolarHBondContact OG-CD2 3.08Å; S1502-H1504 PolarHBondContact OG-NE2 2.81Å; S1502-I1610 WeakPolarHBondContact O-CA 3.26Å; S1502-C1611 PolarHBondContact N-O 2.94Å; S1502-C1611 PolarHBondContact O-N 3Å; S1502-C1611 PolarHBondContact OG-SG 2.76Å; S1502-D1612 PolarHBondContact OG-O 3.24Å |
| 1503 | L | 90.6 | Very high | 81.3 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 130.2 | 176.8 | -63.9 | 171.7 | 0 | 0 | 0 | 110.2 | I1498 I1610 E1638 L1643 L1650 | I1498-L1503 HydrophobicContact CD1-CD1 3.73Å; I1498-L1503 HydrophobicContact CD1-CD2 4.23Å; I1498-L1503 HydrophobicContact CD1-CG 4.05Å; L1503-I1610 HydrophobicContact CD2-CB 4.29Å; L1503-I1610 HydrophobicContact CD2-CD1 3.66Å; L1503-I1610 HydrophobicContact CD2-CG1 3.59Å; L1503-I1610 HydrophobicContact CD2-CG2 4.09Å; L1503-E1638 HydrophobicContact CB-CB 3.96Å; L1503-E1638 HydrophobicContact CB-CG 4.26Å; L1503-E1638 WeakPolarHBondContact CB-OE1 3.19Å; L1503-E1638 PolarHBondContact N-OE1 2.68Å; L1503-E1638 WeakPolarHBondContact O-CB 2.99Å; L1503-E1638 PolarHBondContact O-N 3.39Å; L1503-L1643 HydrophobicContact CB-CD2 4.18Å; L1503-L1650 HydrophobicContact CD1-CB 4.12Å; L1503-L1650 HydrophobicContact CD1-CD1 3.94Å; L1503-L1650 HydrophobicContact CD2-CD1 3.99Å; L1503-L1650 HydrophobicContact CG-CD1 4.41Å |
| 1504 | H | 87.9 | Confident | 81.8 | Confident | 36 Ų | 36 | 43.1 Ų | 43.1 | 17% | 0.167 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 150.8 | 178.9 | -55 | -98.1 | 0 | 0 | 0 | 111.3 | S1502 L1608 I1609 V1617 H1635 L1643 | S1502-H1504 WeakPolarHBondContact CB-NE2 3.39Å; S1502-H1504 PolarHBondContact OG-CD2 3.08Å; S1502-H1504 PolarHBondContact OG-NE2 2.81Å; H1504-L1608 WeakPolarHBondContact O-CD1 3.34Å; H1504-I1609 HydrophobicContact CB-CB 4.48Å; H1504-I1609 PolarHBondContact N-O 2.79Å; H1504-I1609 PolarHBondContact O-N 3.06Å; H1504-V1617 HydrophobicContact CB-CG1 4.32Å; H1504-H1635 AromaticContact CG-NE2 3.84Å; H1504-H1635 AromaticContact ND1-CE1 3.85Å; H1504-H1635 AromaticContact ND1-NE2 3.13Å; H1504-H1635 PolarHBondContact ND1-NE2 3.17Å; H1504-H1635 VanDerWaalsContact ND1-NE2 3.13Å; H1504-L1643 VanDerWaalsContact C-CD2 3.44Å |
| 1505 | S | 91.8 | Very high | 82.9 | Confident | 9 Ų | 9 | 42.4 Ų | 42.4 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 151.1 | 165 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | I1607 E1636 L1643 | S1505-I1607 CarbonylContact C-O 3.53Å; S1505-I1607 WeakPolarHBondContact CA-O 3.4Å; S1505-I1607 WeakPolarHBondContact CB-O 3.21Å; S1505-E1636 PolarHBondContact N-O 2.92Å; S1505-E1636 PolarHBondContact O-N 3.45Å; S1505-E1636 PolarHBondContact OG-O 2.98Å; S1505-L1643 WeakPolarHBondContact OG-CD1 3.47Å |
| 1506 | F | 89.4 | Confident | 84.1 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.009 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 145.3 | 166.9 | -52.8 | -40.2 | 0 | 0 | 0 | 109.7 | D1606 I1607 I1609 V1617 L1621 L1624 M1633 T1634 H1635 | F1506-D1606 CarbonylContact O-C 3.6Å; F1506-D1606 VanDerWaalsContact O-CA 3.28Å; F1506-D1606 WeakPolarHBondContact O-CA 2.92Å; F1506-I1607 HydrophobicContact CB-CB 4.2Å; F1506-I1607 HydrophobicContact CB-CD1 4.19Å; F1506-I1607 HydrophobicContact CD2-CB 4.46Å; F1506-I1607 HydrophobicContact CD2-CD1 4.14Å; F1506-I1607 HydrophobicContact CD2-CG2 4.4Å; F1506-I1607 PolarHBondContact N-O 3.25Å; F1506-I1607 VanDerWaalsContact N-O 3.1Å; F1506-I1607 PolarHBondContact O-N 2.68Å; F1506-I1609 HydrophobicContact CD2-CD1 4Å; F1506-I1609 HydrophobicContact CE2-CD1 3.39Å; F1506-I1609 HydrophobicContact CZ-CD1 3.83Å; F1506-V1617 HydrophobicContact CE1-CG1 3.86Å; F1506-V1617 HydrophobicContact CZ-CG1 3.66Å; F1506-L1621 HydrophobicContact CD1-CD1 3.9Å; F1506-L1621 HydrophobicContact CD2-CD1 4.44Å; F1506-L1621 HydrophobicContact CE1-CB 4.06Å; F1506-L1621 HydrophobicContact CE1-CD1 3.8Å; F1506-L1621 HydrophobicContact CE1-CD2 4.41Å; F1506-L1621 HydrophobicContact CE1-CG 4.3Å; F1506-L1621 HydrophobicContact CE2-CD1 4.34Å; F1506-L1621 HydrophobicContact CG-CD1 4.23Å; F1506-L1621 HydrophobicContact CZ-CB 3.8Å; F1506-L1621 HydrophobicContact CZ-CD1 4.02Å; F1506-L1621 HydrophobicContact CZ-CG 4.44Å; F1506-L1624 HydrophobicContact CD2-CD1 3.93Å; F1506-L1624 HydrophobicContact CE2-CD1 3.56Å; F1506-M1633 HydrophobicContact CB-CB 4.35Å; F1506-M1633 HydrophobicContact CB-SD 4.38Å; F1506-M1633 HydrophobicContact CD2-SD 4.27Å; F1506-T1634 CarbonylContact C-O 3.54Å; F1506-T1634 WeakPolarHBondContact CA-O 3.36Å; F1506-H1635 HydrophobicContact CD1-CB 3.9Å; F1506-H1635 AromaticContact CD1-CD2 3.65Å; F1506-H1635 HydrophobicContact CE1-CB 4.06Å; F1506-H1635 AromaticContact CE1-CD2 3.44Å; F1506-H1635 VanDerWaalsContact CE1-CD2 3.44Å; F1506-H1635 WeakPolarHBondContact CE1-CD2 3.47Å; F1506-H1635 AromaticContact CE1-CG 3.84Å |
| 1507 | D | 86.7 | Confident | 84.7 | Confident | 53 Ų | 53 | 34.4 Ų | 34.4 | 28% | 0.283 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 124.1 | 167.9 | -176.2 | 46.6 | 0 | 0 | 0 | 110.1 | N1509 D1605 T1634 | D1507-N1509 PolarHBondContact O-N 3.05Å; D1507-D1605 CarbonylContact C-O 3.39Å; D1507-D1605 VanDerWaalsContact CA-O 3.29Å; D1507-D1605 WeakPolarHBondContact CA-O 3.35Å; D1507-D1605 WeakPolarHBondContact OD1-CB 3.43Å; D1507-T1634 PolarHBondContact N-O 3.48Å; D1507-T1634 PolarHBondContact O-N 3.16Å; D1507-T1634 PolarHBondContact O-OG1 3.38Å |
| 1508 | V | 84.7 | Confident | 85.1 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 108 | -179.6 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | S1510 L1511 M1583 D1605 I1631 M1633 | V1508-S1510 PolarHBondContact O-N 3.04Å; V1508-L1511 HydrophobicContact CB-CB 4.06Å; V1508-L1511 HydrophobicContact CG1-CB 3.78Å; V1508-L1511 HydrophobicContact CG1-CD1 3.95Å; V1508-L1511 HydrophobicContact CG1-CG 4.42Å; V1508-L1511 PolarHBondContact O-N 2.99Å; V1508-M1583 HydrophobicContact CG2-CE 3.72Å; V1508-M1583 HydrophobicContact CG2-SD 3.9Å; V1508-D1605 HydrophobicContact CB-CB 4.05Å; V1508-D1605 WeakPolarHBondContact CG2-O 3.36Å; V1508-D1605 PolarHBondContact N-O 3.41Å; V1508-I1631 HydrophobicContact CG1-CG2 3.94Å; V1508-M1633 HydrophobicContact CG2-CE 4.32Å; V1508-M1633 HydrophobicContact CG2-CG 4.04Å; V1508-M1633 HydrophobicContact CG2-SD 4.3Å |
| 1509 | N | 78.7 | Confident | 85.5 | Confident | 72 Ų | 72 | 39.6 Ų | 39.6 | 39% | 0.385 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 111.6 | -179 | -89 | -42.4 | 0 | 0 | 0 | 112 | D1507 L1511 V1632 T1634 | D1507-N1509 PolarHBondContact O-N 3.05Å; N1509-L1511 PolarHBondContact O-N 3.04Å; N1509-V1632 HydrophobicContact CB-CB 4.47Å; N1509-V1632 WeakPolarHBondContact CB-O 3.33Å; N1509-V1632 PolarHBondContact N-O 2.88Å; N1509-T1634 VanDerWaalsContact ND2-CG2 3.27Å; N1509-T1634 WeakPolarHBondContact ND2-CG2 3.3Å |
| 1510 | S | 77.6 | Confident | 86.1 | Confident | 75 Ų | 75 | 33.4 Ų | 33.4 | 52% | 0.524 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 28.2 | 176.5 | -60.7 | 0 | 0 | 0 | 0 | 114.9 | V1508 F1512 T1513 | V1508-S1510 PolarHBondContact O-N 3.04Å; S1510-F1512 CarbonylContact O-C 3.52Å; S1510-F1512 PolarHBondContact O-N 3.31Å; S1510-T1513 WeakPolarHBondContact CB-OG1 3.43Å; S1510-T1513 PolarHBondContact O-N 2.82Å; S1510-T1513 PolarHBondContact O-OG1 2.65Å |
| 1511 | L | 88.1 | Confident | 86.5 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -16.5 | -57.2 | -179.4 | 172.3 | 60.7 | 0 | 0 | 0 | 115.5 | V1508 N1509 T1513 N1514 V1515 A1579 F1582 M1583 D1605 | V1508-L1511 HydrophobicContact CB-CB 4.06Å; V1508-L1511 HydrophobicContact CG1-CB 3.78Å; V1508-L1511 HydrophobicContact CG1-CD1 3.95Å; V1508-L1511 HydrophobicContact CG1-CG 4.42Å; V1508-L1511 PolarHBondContact O-N 2.99Å; N1509-L1511 PolarHBondContact O-N 3.04Å; L1511-T1513 PolarHBondContact O-N 3.3Å; L1511-N1514 CarbonylContact O-C 3.48Å; L1511-N1514 PolarHBondContact O-N 3.45Å; L1511-V1515 HydrophobicContact CD1-CG2 3.88Å; L1511-V1515 HydrophobicContact CG-CG2 4.29Å; L1511-V1515 WeakPolarHBondContact O-CG2 3.42Å; L1511-V1515 PolarHBondContact O-N 3.24Å; L1511-A1579 HydrophobicContact CD1-CB 4.45Å; L1511-A1579 HydrophobicContact CD2-CB 4.03Å; L1511-A1579 HydrophobicContact CG-CB 4.15Å; L1511-F1582 HydrophobicContact CD1-CD1 4.14Å; L1511-F1582 HydrophobicContact CD1-CE1 4.49Å; L1511-M1583 HydrophobicContact CD1-CG 4.18Å; L1511-M1583 HydrophobicContact CD1-SD 4Å; L1511-M1583 HydrophobicContact CD2-CG 4.37Å; L1511-D1605 HydrophobicContact CB-CB 4.03Å; L1511-D1605 HydrophobicContact CD2-CB 4.06Å |
| 1512 | F | 87.7 | Confident | 86.9 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.6 | -21.3 | -178.1 | -61.5 | -63.9 | 0 | 0 | 0 | 117.8 | R637 S1510 N1514 V1568 M1570 P1576 A1579 M1604 | R637-F1512 VanDerWaalsContact CD-CD1 3.45Å; R637-F1512 HydrophobicContact CG-CD1 3.75Å; R637-F1512 HydrophobicContact CG-CE1 3.48Å; R637-F1512 VanDerWaalsContact CG-CE1 3.48Å; R637-F1512 HydrophobicContact CG-CZ 4.19Å; S1510-F1512 CarbonylContact O-C 3.52Å; S1510-F1512 PolarHBondContact O-N 3.31Å; F1512-N1514 VanDerWaalsContact C-N 3.31Å; F1512-V1568 HydrophobicContact CD1-CG2 4.39Å; F1512-V1568 CarbonylContact O-C 3.55Å; F1512-V1568 WeakPolarHBondContact O-CA 3.35Å; F1512-V1568 WeakPolarHBondContact O-CG2 3.33Å; F1512-V1568 PolarHBondContact O-N 3.03Å; F1512-V1568 VanDerWaalsContact O-O 3.08Å; F1512-M1570 HydrophobicContact CB-CB 3.99Å; F1512-M1570 HydrophobicContact CB-CG 3.24Å; F1512-M1570 HydrophobicContact CD2-CB 4Å; F1512-M1570 HydrophobicContact CD2-CE 3.9Å; F1512-M1570 HydrophobicContact CD2-CG 3.54Å; F1512-M1570 HydrophobicContact CD2-SD 4.48Å; F1512-M1570 HydrophobicContact CE2-CE 4.46Å; F1512-M1570 HydrophobicContact CG-CB 4.03Å; F1512-M1570 HydrophobicContact CG-CG 3.62Å; F1512-P1576 HydrophobicContact CE1-CB 4.29Å; F1512-P1576 HydrophobicContact CE1-CG 3.73Å; F1512-P1576 HydrophobicContact CZ-CG 3.92Å; F1512-A1579 HydrophobicContact CD1-CB 4.05Å; F1512-A1579 HydrophobicContact CE1-CB 3.79Å; F1512-M1604 HydrophobicContact CZ-CG 4.45Å; F1512-M1604 HydrophobicContact CZ-SD 3.8Å |
| 1513 | T | 81.8 | Confident | 87.3 | Confident | 18 Ų | 18 | 29.7 Ų | 29.7 | 11% | 0.11 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -85.9 | -8.3 | 169.5 | 52.9 | 0 | 0 | 0 | 0 | 111.9 | K1387 F1388 S1510 L1511 G1567 | K1387-T1513 WeakPolarHBondContact CD-O 2.94Å; K1387-T1513 WeakPolarHBondContact CE-O 2.92Å; K1387-T1513 PolarHBondContact NZ-O 2.96Å; F1388-T1513 HydrophobicContact CZ-CG2 3.86Å; S1510-T1513 WeakPolarHBondContact CB-OG1 3.43Å; S1510-T1513 PolarHBondContact O-N 2.82Å; S1510-T1513 PolarHBondContact O-OG1 2.65Å; L1511-T1513 PolarHBondContact O-N 3.3Å; T1513-G1567 WeakPolarHBondContact O-CA 3.46Å |
| 1514 | N | 84.4 | Confident | 87.4 | Confident | 35 Ų | 35 | 29.9 Ų | 29.9 | 19% | 0.187 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -124.9 | 0.6 | -167.7 | -65.8 | 23 | 0 | 0 | 0 | 113.8 | K1387 L1511 F1512 P1516 D1630 | K1387-N1514 PolarHBondContact NZ-OD1 3.5Å; L1511-N1514 CarbonylContact O-C 3.48Å; L1511-N1514 PolarHBondContact O-N 3.45Å; F1512-N1514 VanDerWaalsContact C-N 3.31Å; N1514-P1516 VanDerWaalsContact O-CD 3.32Å; N1514-P1516 WeakPolarHBondContact O-CD 3.28Å; N1514-D1630 HydrophobicContact CB-CB 4.05Å; N1514-D1630 WeakPolarHBondContact CB-O 3.47Å; N1514-D1630 PolarHBondContact ND2-O 2.93Å |
| 1515 | V | 88.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -67.2 | 121 | 172.8 | 178.2 | 0 | 0 | 0 | 0 | 109.8 | L1511 L1517 T1520 V1568 A1579 F1582 | L1511-V1515 HydrophobicContact CD1-CG2 3.88Å; L1511-V1515 HydrophobicContact CG-CG2 4.29Å; L1511-V1515 WeakPolarHBondContact O-CG2 3.42Å; L1511-V1515 PolarHBondContact O-N 3.24Å; V1515-L1517 PolarHBondContact O-N 3.26Å; V1515-T1520 HydrophobicContact CG1-CG2 4.07Å; V1515-T1520 WeakPolarHBondContact CG1-OG1 3.38Å; V1515-V1568 HydrophobicContact CB-CB 4.39Å; V1515-V1568 HydrophobicContact CB-CG1 3.92Å; V1515-V1568 HydrophobicContact CB-CG2 3.51Å; V1515-V1568 HydrophobicContact CG1-CG1 4.17Å; V1515-V1568 HydrophobicContact CG1-CG2 4.24Å; V1515-V1568 HydrophobicContact CG2-CG2 3.54Å; V1515-A1579 HydrophobicContact CG2-CB 3.79Å; V1515-F1582 HydrophobicContact CB-CD1 4.19Å; V1515-F1582 HydrophobicContact CG1-CB 3.84Å; V1515-F1582 HydrophobicContact CG1-CD1 3.93Å; V1515-F1582 HydrophobicContact CG1-CD2 4.41Å; V1515-F1582 HydrophobicContact CG1-CG 3.8Å; V1515-F1582 HydrophobicContact CG2-CD1 3.83Å; V1515-F1582 HydrophobicContact CG2-CE1 4.41Å; V1515-F1582 HydrophobicContact CG2-CG 4.46Å | ||
| 1516 | P | 87.4 | Confident | 87.4 | Confident | 21 Ų | 21 | 32.2 Ų | 32.2 | 14% | 0.136 | 18% | 0.176 | C | C | . | . | trans | -68.3 | 95.5 | 172.5 | 29.1 | -32.7 | 0 | 0 | 0 | 108.8 | N1514 T1518 K1519 T1520 F1582 Q1628 | N1514-P1516 VanDerWaalsContact O-CD 3.32Å; N1514-P1516 WeakPolarHBondContact O-CD 3.28Å; P1516-T1518 PolarHBondContact O-N 3.11Å; P1516-K1519 HydrophobicContact CB-CB 4.3Å; P1516-K1519 HydrophobicContact CB-CD 4.22Å; P1516-K1519 HydrophobicContact CB-CG 4.35Å; P1516-K1519 HydrophobicContact CG-CB 4.33Å; P1516-K1519 HydrophobicContact CG-CD 4.29Å; P1516-K1519 PolarHBondContact O-N 3.39Å; P1516-T1520 WeakPolarHBondContact O-CB 2.93Å; P1516-T1520 PolarHBondContact O-N 2.8Å; P1516-T1520 VanDerWaalsContact O-N 3.1Å; P1516-T1520 PolarHBondContact O-OG1 3.34Å; P1516-F1582 HydrophobicContact CG-CD2 4.04Å; P1516-F1582 HydrophobicContact CG-CE2 3.38Å; P1516-F1582 HydrophobicContact CG-CZ 3.72Å; P1516-Q1628 HydrophobicContact CG-CG 4.26Å | ||
| 1517 | L | 87.6 | Confident | 87.5 | Confident | 17 Ų | 17 | 34.3 Ų | 34.3 | 9% | 0.089 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56 | -47.1 | -166.2 | 171.8 | 57.9 | 0 | 0 | 0 | 113.1 | V1515 T1520 V1521 L1547 T1550 A1551 V1568 L1578 | V1515-L1517 PolarHBondContact O-N 3.26Å; L1517-T1520 WeakPolarHBondContact O-CB 3.48Å; L1517-T1520 PolarHBondContact O-N 2.98Å; L1517-V1521 HydrophobicContact CD1-CG2 3.99Å; L1517-V1521 WeakPolarHBondContact O-CG2 3.43Å; L1517-V1521 PolarHBondContact O-N 3.47Å; L1517-L1547 HydrophobicContact CD1-CD2 4.23Å; L1517-L1547 HydrophobicContact CD2-CD2 3.91Å; L1517-L1547 HydrophobicContact CG-CD2 3.76Å; L1517-T1550 HydrophobicContact CD1-CG2 3.91Å; L1517-T1550 VanDerWaalsContact CD1-OG1 3.28Å; L1517-T1550 WeakPolarHBondContact CD1-OG1 3.32Å; L1517-A1551 HydrophobicContact CD2-CB 3.76Å; L1517-V1568 HydrophobicContact CB-CG1 3.85Å; L1517-V1568 HydrophobicContact CD1-CG1 3.8Å; L1517-V1568 HydrophobicContact CG-CG1 4.27Å; L1517-L1578 HydrophobicContact CD1-CD1 3.63Å |
| 1518 | T | 86.9 | Confident | 87.6 | Confident | 78 Ų | 78 | 32 Ų | 32 | 48% | 0.479 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.4 | -54.6 | -176.7 | -42.5 | 0 | 0 | 0 | 0 | 111.3 | P1516 T1520 V1521 D1522 | P1516-T1518 PolarHBondContact O-N 3.11Å; T1518-T1520 PolarHBondContact O-N 3.01Å; T1518-T1520 VanDerWaalsContact O-N 3.11Å; T1518-V1521 PolarHBondContact O-N 3.32Å; T1518-D1522 VanDerWaalsContact O-CG 3.26Å; T1518-D1522 PolarHBondContact O-N 3.23Å |
| 1519 | K | 87.4 | Confident | 87.7 | Confident | 115 Ų | 115 | 34.8 Ų | 34.8 | 50% | 0.5 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -50.5 | -40.1 | 175.4 | -66.2 | -171 | -179.8 | -173.9 | 0 | 112 | P1516 D1522 F1523 | P1516-K1519 HydrophobicContact CB-CB 4.3Å; P1516-K1519 HydrophobicContact CB-CD 4.22Å; P1516-K1519 HydrophobicContact CB-CG 4.35Å; P1516-K1519 HydrophobicContact CG-CB 4.33Å; P1516-K1519 HydrophobicContact CG-CD 4.29Å; P1516-K1519 PolarHBondContact O-N 3.39Å; K1519-D1522 PolarHBondContact O-N 3.27Å; K1519-F1523 WeakPolarHBondContact O-CB 3.28Å; K1519-F1523 PolarHBondContact O-N 2.97Å |
| 1520 | T | 91.8 | Very high | 88.1 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.6 | -38.5 | -177.8 | -56.7 | 0 | 0 | 0 | 0 | 113.2 | V1515 P1516 L1517 T1518 L1524 L1578 V1581 F1582 | V1515-T1520 HydrophobicContact CG1-CG2 4.07Å; V1515-T1520 WeakPolarHBondContact CG1-OG1 3.38Å; P1516-T1520 WeakPolarHBondContact O-CB 2.93Å; P1516-T1520 PolarHBondContact O-N 2.8Å; P1516-T1520 VanDerWaalsContact O-N 3.1Å; P1516-T1520 PolarHBondContact O-OG1 3.34Å; L1517-T1520 WeakPolarHBondContact O-CB 3.48Å; L1517-T1520 PolarHBondContact O-N 2.98Å; T1518-T1520 PolarHBondContact O-N 3.01Å; T1518-T1520 VanDerWaalsContact O-N 3.11Å; T1520-L1524 PolarHBondContact O-N 3.5Å; T1520-L1578 HydrophobicContact CG2-CB 3.71Å; T1520-L1578 HydrophobicContact CG2-CD2 4.03Å; T1520-L1578 HydrophobicContact CG2-CG 4.47Å; T1520-L1578 WeakPolarHBondContact CG2-O 3.28Å; T1520-V1581 HydrophobicContact CG2-CG1 4.35Å; T1520-F1582 HydrophobicContact CG2-CB 3.7Å; T1520-F1582 WeakPolarHBondContact OG1-CD2 3.18Å |
| 1521 | V | 91.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.1 | -41.3 | 173.8 | 167 | 0 | 0 | 0 | 0 | 110.2 | L1517 T1518 L1524 C1525 K1543 L1546 L1547 L1578 | L1517-V1521 HydrophobicContact CD1-CG2 3.99Å; L1517-V1521 WeakPolarHBondContact O-CG2 3.43Å; L1517-V1521 PolarHBondContact O-N 3.47Å; T1518-V1521 PolarHBondContact O-N 3.32Å; V1521-L1524 WeakPolarHBondContact O-CB 3.2Å; V1521-L1524 PolarHBondContact O-N 3.14Å; V1521-C1525 WeakPolarHBondContact O-CB 3.22Å; V1521-C1525 PolarHBondContact O-N 3.1Å; V1521-C1525 PolarHBondContact O-SG 3.17Å; V1521-C1525 VanDerWaalsContact O-SG 3.4Å; V1521-K1543 HydrophobicContact CG1-CB 3.88Å; V1521-K1543 HydrophobicContact CG1-CD 4.45Å; V1521-K1543 HydrophobicContact CG1-CG 3.73Å; V1521-L1546 HydrophobicContact CB-CD1 4.49Å; V1521-L1546 HydrophobicContact CG1-CB 4.21Å; V1521-L1546 HydrophobicContact CG1-CD1 3.76Å; V1521-L1546 HydrophobicContact CG2-CB 4.05Å; V1521-L1546 HydrophobicContact CG2-CD1 4.26Å; V1521-L1547 HydrophobicContact CG1-CG 4.48Å; V1521-L1547 HydrophobicContact CG2-CD2 4.02Å; V1521-L1547 HydrophobicContact CG2-CG 4.44Å; V1521-L1578 HydrophobicContact CB-CD2 4.49Å; V1521-L1578 HydrophobicContact CG2-CD1 3.88Å; V1521-L1578 HydrophobicContact CG2-CD2 3.64Å; V1521-L1578 HydrophobicContact CG2-CG 4.43Å |
| 1522 | D | 92.1 | Very high | 88.5 | Confident | 44 Ų | 44 | 43 Ų | 43 | 24% | 0.235 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.6 | -49.1 | -177 | -65.8 | -18.1 | 0 | 0 | 0 | 111.3 | T1518 K1519 L1524 C1525 D1526 K1543 | T1518-D1522 VanDerWaalsContact O-CG 3.26Å; T1518-D1522 PolarHBondContact O-N 3.23Å; K1519-D1522 PolarHBondContact O-N 3.27Å; D1522-L1524 VanDerWaalsContact C-N 3.27Å; D1522-L1524 PolarHBondContact O-N 3.05Å; D1522-C1525 PolarHBondContact O-N 3.03Å; D1522-D1526 PolarHBondContact O-N 2.85Å; D1522-K1543 WeakPolarHBondContact OD1-CD 3.43Å; D1522-K1543 WeakPolarHBondContact OD1-CE 3.35Å; D1522-K1543 IonicContact OD1-NZ 2.87Å; D1522-K1543 PolarHBondContact OD1-NZ 3.24Å; D1522-K1543 IonicContact OD2-NZ 2.81Å; D1522-K1543 PolarHBondContact OD2-NZ 3.14Å |
| 1523 | F | 91.4 | Very high | 88 | Confident | 41 Ų | 41 | 48.3 Ų | 48.3 | 18% | 0.18 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.9 | -36.7 | 173 | 172.2 | -105 | 0 | 0 | 0 | 113.7 | L1478 K1519 Y1527 V1581 Y1585 | L1478-F1523 HydrophobicContact CD1-CE1 4.02Å; L1478-F1523 HydrophobicContact CD1-CZ 4.05Å; K1519-F1523 WeakPolarHBondContact O-CB 3.28Å; K1519-F1523 PolarHBondContact O-N 2.97Å; F1523-Y1527 VanDerWaalsContact O-CB 3.32Å; F1523-Y1527 WeakPolarHBondContact O-CB 3.44Å; F1523-Y1527 PolarHBondContact O-N 3.43Å; F1523-V1581 HydrophobicContact CD1-CG1 3.61Å; F1523-V1581 HydrophobicContact CE1-CG1 3.98Å; F1523-V1581 WeakPolarHBondContact CE1-O 3.43Å; F1523-Y1585 HydrophobicContact CB-CD2 4.5Å; F1523-Y1585 AromaticContact CD2-CD2 3.78Å; F1523-Y1585 HydrophobicContact CD2-CD2 3.78Å; F1523-Y1585 HydrophobicContact CE2-CD2 4.08Å; F1523-Y1585 HydrophobicContact CG-CD2 4.03Å; F1523-Y1585 HydrophobicContact CG-CG 4.46Å |
| 1524 | L | 92.7 | Very high | 88 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.3 | -47.6 | 174.3 | -177.1 | 53.2 | 0 | 0 | 0 | 111.7 | L1478 T1520 V1521 D1522 Y1527 I1528 L1546 L1577 L1578 V1581 | L1478-L1524 HydrophobicContact CD2-CD1 3.73Å; T1520-L1524 PolarHBondContact O-N 3.5Å; V1521-L1524 WeakPolarHBondContact O-CB 3.2Å; V1521-L1524 PolarHBondContact O-N 3.14Å; D1522-L1524 VanDerWaalsContact C-N 3.27Å; D1522-L1524 PolarHBondContact O-N 3.05Å; L1524-Y1527 PolarHBondContact O-N 2.99Å; L1524-I1528 HydrophobicContact CD1-CD1 3.89Å; L1524-I1528 HydrophobicContact CD1-CG1 4.29Å; L1524-I1528 HydrophobicContact CG-CD1 3.92Å; L1524-I1528 WeakPolarHBondContact O-CB 3.25Å; L1524-I1528 VanDerWaalsContact O-CG1 3.28Å; L1524-I1528 WeakPolarHBondContact O-CG1 3.37Å; L1524-I1528 PolarHBondContact O-N 2.9Å; L1524-L1546 HydrophobicContact CD2-CD1 4.26Å; L1524-L1577 HydrophobicContact CD2-CD2 4.36Å; L1524-L1578 HydrophobicContact CD2-CD2 4.17Å; L1524-V1581 HydrophobicContact CB-CG1 4.02Å; L1524-V1581 HydrophobicContact CD1-CG1 4.39Å; L1524-V1581 HydrophobicContact CD1-CG2 4.03Å |
| 1525 | C | 90.5 | Very high | 88.1 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.02 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.8 | -39.2 | -177.9 | -77 | 0 | 0 | 0 | 0 | 111.6 | V1521 D1522 S1529 S1539 | V1521-C1525 WeakPolarHBondContact O-CB 3.22Å; V1521-C1525 PolarHBondContact O-N 3.1Å; V1521-C1525 PolarHBondContact O-SG 3.17Å; V1521-C1525 VanDerWaalsContact O-SG 3.4Å; D1522-C1525 PolarHBondContact O-N 3.03Å; C1525-S1529 WeakPolarHBondContact O-CB 3.25Å; C1525-S1529 PolarHBondContact O-N 2.97Å; C1525-S1529 PolarHBondContact O-OG 3.47Å; C1525-S1539 WeakPolarHBondContact CB-OG 3.17Å |
| 1526 | D | 89.2 | Confident | 87.9 | Confident | 92 Ų | 92 | 58.8 Ų | 58.8 | 49% | 0.492 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.7 | -45.2 | 173.6 | -68.5 | -17.7 | 0 | 0 | 0 | 111.8 | D1522 I1528 S1529 K1530 | D1522-D1526 PolarHBondContact O-N 2.85Å; D1526-I1528 VanDerWaalsContact C-N 3.35Å; D1526-I1528 PolarHBondContact O-N 3.05Å; D1526-S1529 PolarHBondContact O-N 2.97Å; D1526-K1530 WeakPolarHBondContact O-CB 3.25Å; D1526-K1530 WeakPolarHBondContact O-CG 3.23Å; D1526-K1530 PolarHBondContact O-N 2.68Å |
| 1527 | Y | 91.3 | Very high | 87.9 | Confident | 45 Ų | 45 | 57.9 Ų | 57.9 | 18% | 0.176 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 177.3 | -179.6 | -93.3 | 0 | 0 | 0 | 111.8 | I1474 L1478 F1523 L1524 K1530 N1531 F1532 | I1474-Y1527 HydrophobicContact CG2-CD1 4.27Å; I1474-Y1527 HydrophobicContact CG2-CE1 4.14Å; L1478-Y1527 HydrophobicContact CB-CD1 4.01Å; L1478-Y1527 HydrophobicContact CB-CE1 3.57Å; L1478-Y1527 HydrophobicContact CD1-CD1 3.91Å; L1478-Y1527 HydrophobicContact CD1-CD2 3.75Å; L1478-Y1527 HydrophobicContact CD1-CE1 4.03Å; L1478-Y1527 HydrophobicContact CD1-CE2 3.9Å; L1478-Y1527 HydrophobicContact CD1-CG 3.76Å; L1478-Y1527 HydrophobicContact CD2-CD1 3.76Å; L1478-Y1527 HydrophobicContact CD2-CE1 4.21Å; L1478-Y1527 HydrophobicContact CD2-CG 4.15Å; L1478-Y1527 HydrophobicContact CG-CD1 4.1Å; L1478-Y1527 HydrophobicContact CG-CE1 4.13Å; L1478-Y1527 HydrophobicContact CG-CG 4.42Å; F1523-Y1527 VanDerWaalsContact O-CB 3.32Å; F1523-Y1527 WeakPolarHBondContact O-CB 3.44Å; F1523-Y1527 PolarHBondContact O-N 3.43Å; L1524-Y1527 PolarHBondContact O-N 2.99Å; Y1527-K1530 PolarHBondContact O-N 3.4Å; Y1527-N1531 VanDerWaalsContact CD2-ND2 3.28Å; Y1527-N1531 WeakPolarHBondContact CD2-ND2 3.42Å; Y1527-N1531 HydrophobicContact CE1-CB 4.25Å; Y1527-N1531 HydrophobicContact CE2-CB 4.45Å; Y1527-N1531 VanDerWaalsContact CE2-ND2 3.33Å; Y1527-N1531 WeakPolarHBondContact CE2-ND2 3.06Å; Y1527-N1531 WeakPolarHBondContact O-CB 3.37Å; Y1527-N1531 PolarHBondContact O-N 3.05Å; Y1527-N1531 PolarHBondContact O-ND2 3.21Å; Y1527-F1532 HydrophobicContact CE1-CD2 4.39Å; Y1527-F1532 AromaticContact CE1-CE2 3.85Å; Y1527-F1532 HydrophobicContact CE1-CE2 3.85Å |
| 1528 | I | 89.4 | Confident | 87.8 | Confident | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 174.1 | -70.9 | 169.5 | 0 | 0 | 0 | 110.5 | L1471 I1474 L1524 D1526 K1530 N1531 F1532 F1535 L1542 | L1471-I1528 HydrophobicContact CD2-CD1 3.58Å; I1474-I1528 HydrophobicContact CD1-CD1 4.11Å; I1474-I1528 HydrophobicContact CD1-CG1 4.05Å; I1474-I1528 HydrophobicContact CG2-CG1 4.01Å; L1524-I1528 HydrophobicContact CD1-CD1 3.89Å; L1524-I1528 HydrophobicContact CD1-CG1 4.29Å; L1524-I1528 HydrophobicContact CG-CD1 3.92Å; L1524-I1528 WeakPolarHBondContact O-CB 3.25Å; L1524-I1528 VanDerWaalsContact O-CG1 3.28Å; L1524-I1528 WeakPolarHBondContact O-CG1 3.37Å; L1524-I1528 PolarHBondContact O-N 2.9Å; D1526-I1528 VanDerWaalsContact C-N 3.35Å; D1526-I1528 PolarHBondContact O-N 3.05Å; I1528-K1530 VanDerWaalsContact C-N 3.29Å; I1528-K1530 PolarHBondContact O-N 3Å; I1528-N1531 PolarHBondContact O-N 2.84Å; I1528-F1532 HydrophobicContact CG2-CB 4.4Å; I1528-F1532 CarbonylContact O-C 3.28Å; I1528-F1532 WeakPolarHBondContact O-CA 3.38Å; I1528-F1532 PolarHBondContact O-N 3.29Å; I1528-F1535 HydrophobicContact CG2-CB 3.75Å; I1528-F1535 HydrophobicContact CG2-CD1 3.8Å; I1528-F1535 HydrophobicContact CG2-CD2 4.47Å; I1528-F1535 HydrophobicContact CG2-CG 3.74Å; I1528-L1542 HydrophobicContact CD1-CD2 3.69Å |
| 1529 | S | 86 | Confident | 87.7 | Confident | 61 Ų | 61 | 58.3 Ų | 58.3 | 43% | 0.427 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61 | -37.2 | -179.7 | -54.8 | 0 | 0 | 0 | 0 | 112.3 | C1525 D1526 S1539 | C1525-S1529 WeakPolarHBondContact O-CB 3.25Å; C1525-S1529 PolarHBondContact O-N 2.97Å; C1525-S1529 PolarHBondContact O-OG 3.47Å; D1526-S1529 PolarHBondContact O-N 2.97Å; S1529-S1539 VanDerWaalsContact OG-CB 3.3Å; S1529-S1539 WeakPolarHBondContact OG-CB 3.46Å; S1529-S1539 PolarHBondContact OG-OG 3.45Å |
| 1530 | K | 86.4 | Confident | 87.6 | Confident | 177 Ų | 177 | 57.2 Ų | 57.2 | 77% | 0.77 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -79.9 | -35.1 | 178.7 | -71.6 | -179.5 | 177.2 | -179.5 | 0 | 114.5 | D1526 Y1527 I1528 | D1526-K1530 WeakPolarHBondContact O-CB 3.25Å; D1526-K1530 WeakPolarHBondContact O-CG 3.23Å; D1526-K1530 PolarHBondContact O-N 2.68Å; Y1527-K1530 PolarHBondContact O-N 3.4Å; I1528-K1530 VanDerWaalsContact C-N 3.29Å; I1528-K1530 PolarHBondContact O-N 3Å |
| 1531 | N | 88.7 | Confident | 87.5 | Confident | 84 Ų | 84 | 58.2 Ų | 58.2 | 45% | 0.449 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -109.6 | -15.8 | -169.5 | -63.2 | -101.2 | 0 | 0 | 0 | 114 | Y1527 I1528 | Y1527-N1531 VanDerWaalsContact CD2-ND2 3.28Å; Y1527-N1531 WeakPolarHBondContact CD2-ND2 3.42Å; Y1527-N1531 HydrophobicContact CE1-CB 4.25Å; Y1527-N1531 HydrophobicContact CE2-CB 4.45Å; Y1527-N1531 VanDerWaalsContact CE2-ND2 3.33Å; Y1527-N1531 WeakPolarHBondContact CE2-ND2 3.06Å; Y1527-N1531 WeakPolarHBondContact O-CB 3.37Å; Y1527-N1531 PolarHBondContact O-N 3.05Å; Y1527-N1531 PolarHBondContact O-ND2 3.21Å; I1528-N1531 PolarHBondContact O-N 2.84Å |
| 1532 | F | 86.5 | Confident | 87.5 | Confident | 58 Ų | 58 | 58.2 Ų | 58.2 | 25% | 0.254 | 32% | 0.318 | S | S | . | . | trans | -138.9 | 62.2 | -175.2 | -63.6 | -90.9 | 0 | 0 | 0 | 110.9 | I1474 Y1527 I1528 L1534 F1535 | I1474-F1532 HydrophobicContact CB-CD2 4.48Å; I1474-F1532 HydrophobicContact CB-CE2 4.18Å; I1474-F1532 HydrophobicContact CB-CZ 4.28Å; I1474-F1532 HydrophobicContact CG1-CD1 3.89Å; I1474-F1532 HydrophobicContact CG1-CD2 3.86Å; I1474-F1532 HydrophobicContact CG1-CE1 3.95Å; I1474-F1532 HydrophobicContact CG1-CE2 3.94Å; I1474-F1532 HydrophobicContact CG1-CG 3.85Å; I1474-F1532 HydrophobicContact CG1-CZ 3.97Å; I1474-F1532 HydrophobicContact CG2-CD2 4.09Å; I1474-F1532 HydrophobicContact CG2-CE2 3.83Å; I1474-F1532 HydrophobicContact CG2-CZ 4.4Å; Y1527-F1532 HydrophobicContact CE1-CD2 4.39Å; Y1527-F1532 AromaticContact CE1-CE2 3.85Å; Y1527-F1532 HydrophobicContact CE1-CE2 3.85Å; I1528-F1532 HydrophobicContact CG2-CB 4.4Å; I1528-F1532 CarbonylContact O-C 3.28Å; I1528-F1532 WeakPolarHBondContact O-CA 3.38Å; I1528-F1532 PolarHBondContact O-N 3.29Å; F1532-L1534 PolarHBondContact O-N 3.28Å; F1532-L1534 VanDerWaalsContact O-N 3.08Å; F1532-F1535 HydrophobicContact CB-CB 4.39Å; F1532-F1535 VanDerWaalsContact O-CB 3.26Å; F1532-F1535 WeakPolarHBondContact O-CB 3.2Å; F1532-F1535 PolarHBondContact O-N 3.35Å | ||
| 1533 | P | 77.1 | Confident | 87.5 | Confident | 113 Ų | 113 | 59.3 Ų | 59.3 | 73% | 0.734 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.2 | -177.2 | 25 | -35.2 | 0 | 0 | 0 | 113.9 | F1535 | P1533-F1535 VanDerWaalsContact C-N 3.29Å; P1533-F1535 PolarHBondContact O-N 3.04Å |
| 1534 | L | 81.2 | Confident | 87.4 | Confident | 174 Ų | 174 | 61.6 Ų | 61.6 | 91% | 0.911 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 18.1 | 174.5 | -63.5 | 172.8 | 0 | 0 | 0 | 113.8 | F1532 | F1532-L1534 PolarHBondContact O-N 3.28Å; F1532-L1534 VanDerWaalsContact O-N 3.08Å |
| 1535 | F | 86.6 | Confident | 87.4 | Confident | 31 Ų | 31 | 61.4 Ų | 61.4 | 14% | 0.136 | 33% | 0.334 | C | S | . | . | trans | -72.7 | 128.6 | 178.4 | -171.1 | -106 | 0 | 0 | 0 | 111.5 | L1470 L1471 I1474 I1528 F1532 P1533 I1537 L1542 | L1470-F1535 HydrophobicContact CD1-CE2 4.45Å; L1470-F1535 HydrophobicContact CD2-CE1 4.35Å; L1470-F1535 HydrophobicContact CD2-CE2 4.19Å; L1470-F1535 HydrophobicContact CD2-CZ 3.61Å; L1470-F1535 HydrophobicContact CG-CE2 3.82Å; L1470-F1535 HydrophobicContact CG-CZ 3.71Å; L1471-F1535 HydrophobicContact CD2-CE1 4.22Å; L1471-F1535 HydrophobicContact CD2-CE2 4.01Å; L1471-F1535 HydrophobicContact CD2-CZ 3.49Å; L1471-F1535 VanDerWaalsContact CD2-CZ 3.49Å; L1471-F1535 HydrophobicContact CG-CZ 4.22Å; I1474-F1535 HydrophobicContact CD1-CD2 3.48Å; I1474-F1535 VanDerWaalsContact CD1-CD2 3.48Å; I1474-F1535 HydrophobicContact CD1-CE2 3.41Å; I1474-F1535 VanDerWaalsContact CD1-CE2 3.41Å; I1474-F1535 HydrophobicContact CD1-CG 4.39Å; I1474-F1535 HydrophobicContact CD1-CZ 4.28Å; I1528-F1535 HydrophobicContact CG2-CB 3.75Å; I1528-F1535 HydrophobicContact CG2-CD1 3.8Å; I1528-F1535 HydrophobicContact CG2-CD2 4.47Å; I1528-F1535 HydrophobicContact CG2-CG 3.74Å; F1532-F1535 HydrophobicContact CB-CB 4.39Å; F1532-F1535 VanDerWaalsContact O-CB 3.26Å; F1532-F1535 WeakPolarHBondContact O-CB 3.2Å; F1532-F1535 PolarHBondContact O-N 3.35Å; P1533-F1535 VanDerWaalsContact C-N 3.29Å; P1533-F1535 PolarHBondContact O-N 3.04Å; F1535-I1537 HydrophobicContact CD1-CB 4.32Å; F1535-I1537 WeakPolarHBondContact CD1-O 3.35Å; F1535-I1537 HydrophobicContact CE1-CB 3.97Å; F1535-I1537 HydrophobicContact CE1-CG1 4.39Å; F1535-I1537 PolarHBondContact O-N 2.97Å; F1535-L1542 HydrophobicContact CD1-CD2 4.5Å; F1535-L1542 HydrophobicContact CE1-CD1 4.22Å; F1535-L1542 HydrophobicContact CE1-CD2 3.86Å | ||
| 1536 | P | 84.2 | Confident | 87.5 | Confident | 68 Ų | 68 | 61.3 Ų | 61.3 | 44% | 0.442 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -78.1 | 11.8 | -164.3 | 32.6 | -38.7 | 0 | 0 | 0 | 115.5 | V1417 L1470 | V1417-P1536 HydrophobicContact CG1-CB 4.23Å; V1417-P1536 HydrophobicContact CG1-CG 4.38Å; V1417-P1536 VanDerWaalsContact CG2-O 3.27Å; V1417-P1536 WeakPolarHBondContact CG2-O 3.48Å; L1470-P1536 HydrophobicContact CD1-CG 4.04Å |
| 1537 | I | 87.9 | Confident | 87.5 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.015 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -131.9 | 121.3 | 173.8 | -54.4 | 178.2 | 0 | 0 | 0 | 108.3 | L1412 V1417 W1466 L1467 L1470 F1535 S1539 F1541 L1542 L1545 | L1412-I1537 HydrophobicContact CD2-CD1 3.96Å; L1412-I1537 HydrophobicContact CD2-CG1 4.2Å; V1417-I1537 HydrophobicContact CG1-CD1 4.4Å; V1417-I1537 HydrophobicContact CG1-CG1 3.96Å; W1466-I1537 HydrophobicContact CH2-CD1 3.97Å; W1466-I1537 HydrophobicContact CZ3-CD1 4.29Å; L1467-I1537 HydrophobicContact CD2-CD1 3.7Å; L1470-I1537 HydrophobicContact CD2-CD1 3.49Å; L1470-I1537 VanDerWaalsContact CD2-CD1 3.49Å; L1470-I1537 HydrophobicContact CD2-CG1 4.11Å; F1535-I1537 HydrophobicContact CD1-CB 4.32Å; F1535-I1537 WeakPolarHBondContact CD1-O 3.35Å; F1535-I1537 HydrophobicContact CE1-CB 3.97Å; F1535-I1537 HydrophobicContact CE1-CG1 4.39Å; F1535-I1537 PolarHBondContact O-N 2.97Å; I1537-S1539 PolarHBondContact O-N 3.47Å; I1537-F1541 HydrophobicContact CG2-CB 4.36Å; I1537-F1541 HydrophobicContact CG2-CD1 3.94Å; I1537-F1541 HydrophobicContact CG2-CG 4.48Å; I1537-L1542 HydrophobicContact CD1-CD1 4.45Å; I1537-L1542 HydrophobicContact CG2-CB 4.04Å; I1537-L1545 HydrophobicContact CD1-CD1 4.38Å; I1537-L1545 HydrophobicContact CG2-CD1 4.34Å |
| 1538 | P | 85.6 | Confident | 87.5 | Confident | 70 Ų | 70 | 57.4 Ų | 57.4 | 46% | 0.455 | 32% | 0.315 | S | S | . | . | trans | -55.5 | 136.8 | 175.1 | -26.5 | 35.4 | 0 | 0 | 0 | 112.4 | M1415 F1541 L1542 | M1415-P1538 VanDerWaalsContact CE-CD 3.49Å; M1415-P1538 HydrophobicContact CE-CG 3.91Å; P1538-F1541 PolarHBondContact O-N 3.01Å; P1538-L1542 PolarHBondContact O-N 3.25Å | ||
| 1539 | S | 84.9 | Confident | 87.4 | Confident | 33 Ų | 33 | 57.1 Ų | 57.1 | 23% | 0.231 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -46.5 | -46.3 | -175.5 | 165.2 | 0 | 0 | 0 | 0 | 114.9 | C1525 S1529 I1537 F1541 L1542 K1543 | C1525-S1539 WeakPolarHBondContact CB-OG 3.17Å; S1529-S1539 VanDerWaalsContact OG-CB 3.3Å; S1529-S1539 WeakPolarHBondContact OG-CB 3.46Å; S1529-S1539 PolarHBondContact OG-OG 3.45Å; I1537-S1539 PolarHBondContact O-N 3.47Å; S1539-F1541 PolarHBondContact O-N 3.1Å; S1539-L1542 WeakPolarHBondContact O-CB 3.47Å; S1539-L1542 PolarHBondContact O-N 2.89Å; S1539-K1543 PolarHBondContact O-N 2.72Å |
| 1540 | P | 84.7 | Confident | 87.5 | Confident | 93 Ų | 93 | 54.2 Ų | 54.2 | 60% | 0.604 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.5 | -38.9 | 176.6 | -22.7 | 34.4 | 0 | 0 | 0 | 113.7 | K1543 D1544 | P1540-K1543 WeakPolarHBondContact O-CB 3.34Å; P1540-K1543 PolarHBondContact O-N 3.44Å; P1540-D1544 PolarHBondContact O-N 3.07Å |
| 1541 | F | 89.8 | Confident | 87.6 | Confident | 23 Ų | 23 | 47.6 Ų | 47.6 | 10% | 0.101 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74.7 | -30 | 178.9 | -173.9 | -136.8 | 0 | 0 | 0 | 111.8 | N1408 K1411 L1412 M1415 I1537 P1538 S1539 D1544 L1545 | N1408-F1541 HydrophobicContact CB-CZ 4.41Å; N1408-F1541 WeakPolarHBondContact OD1-CE2 3.5Å; K1411-F1541 HydrophobicContact CB-CE1 4.05Å; K1411-F1541 HydrophobicContact CB-CZ 3.7Å; K1411-F1541 HydrophobicContact CD-CE1 4.46Å; K1411-F1541 HydrophobicContact CD-CE2 3.69Å; K1411-F1541 HydrophobicContact CD-CZ 3.65Å; K1411-F1541 HydrophobicContact CG-CZ 4.35Å; L1412-F1541 HydrophobicContact CD2-CE1 3.82Å; L1412-F1541 HydrophobicContact CG-CE1 4.05Å; L1412-F1541 HydrophobicContact CG-CZ 4.39Å; M1415-F1541 HydrophobicContact SD-CD1 4.03Å; M1415-F1541 HydrophobicContact SD-CE1 4Å; I1537-F1541 HydrophobicContact CG2-CB 4.36Å; I1537-F1541 HydrophobicContact CG2-CD1 3.94Å; I1537-F1541 HydrophobicContact CG2-CG 4.48Å; P1538-F1541 PolarHBondContact O-N 3.01Å; S1539-F1541 PolarHBondContact O-N 3.1Å; F1541-D1544 HydrophobicContact CD2-CB 4.3Å; F1541-D1544 PolarHBondContact O-N 3.11Å; F1541-L1545 HydrophobicContact CD1-CD1 4.21Å; F1541-L1545 HydrophobicContact CD2-CG 4.33Å; F1541-L1545 HydrophobicContact CE1-CD1 3.94Å; F1541-L1545 HydrophobicContact CE2-CD1 4.26Å; F1541-L1545 HydrophobicContact CE2-CD2 4.19Å; F1541-L1545 HydrophobicContact CE2-CG 3.97Å; F1541-L1545 HydrophobicContact CG-CD1 4.5Å; F1541-L1545 HydrophobicContact CZ-CD1 3.94Å; F1541-L1545 HydrophobicContact CZ-CD2 4.13Å; F1541-L1545 HydrophobicContact CZ-CG 4.08Å; F1541-L1545 WeakPolarHBondContact O-CB 3.47Å; F1541-L1545 VanDerWaalsContact O-CG 3.26Å; F1541-L1545 WeakPolarHBondContact O-CG 3.24Å; F1541-L1545 PolarHBondContact O-N 3.35Å |
| 1542 | L | 91.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 167.9 | -175.2 | 65.4 | 0 | 0 | 0 | 110.9 | L1467 L1471 I1528 F1535 I1537 P1538 S1539 D1544 L1545 L1546 | L1467-L1542 HydrophobicContact CD2-CD1 4.33Å; L1471-L1542 HydrophobicContact CD1-CD1 4.29Å; L1471-L1542 HydrophobicContact CD2-CD2 4.29Å; I1528-L1542 HydrophobicContact CD1-CD2 3.69Å; F1535-L1542 HydrophobicContact CD1-CD2 4.5Å; F1535-L1542 HydrophobicContact CE1-CD1 4.22Å; F1535-L1542 HydrophobicContact CE1-CD2 3.86Å; I1537-L1542 HydrophobicContact CD1-CD1 4.45Å; I1537-L1542 HydrophobicContact CG2-CB 4.04Å; P1538-L1542 PolarHBondContact O-N 3.25Å; S1539-L1542 WeakPolarHBondContact O-CB 3.47Å; S1539-L1542 PolarHBondContact O-N 2.89Å; L1542-D1544 PolarHBondContact O-N 3.42Å; L1542-L1545 PolarHBondContact O-N 3.21Å; L1542-L1546 HydrophobicContact CG-CD1 4.06Å; L1542-L1546 HydrophobicContact CG-CG 4.46Å; L1542-L1546 WeakPolarHBondContact O-CG 3.48Å; L1542-L1546 PolarHBondContact O-N 2.71Å |
| 1543 | K | 91.8 | Very high | 87.4 | Confident | 66 Ų | 66 | 45.6 Ų | 45.6 | 29% | 0.287 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -55.2 | -47.2 | 174.7 | 169.9 | 171.2 | -175.5 | 163.5 | 0 | 112.1 | V1521 D1522 S1539 P1540 L1545 L1546 L1547 | V1521-K1543 HydrophobicContact CG1-CB 3.88Å; V1521-K1543 HydrophobicContact CG1-CD 4.45Å; V1521-K1543 HydrophobicContact CG1-CG 3.73Å; D1522-K1543 WeakPolarHBondContact OD1-CD 3.43Å; D1522-K1543 WeakPolarHBondContact OD1-CE 3.35Å; D1522-K1543 IonicContact OD1-NZ 2.87Å; D1522-K1543 PolarHBondContact OD1-NZ 3.24Å; D1522-K1543 IonicContact OD2-NZ 2.81Å; D1522-K1543 PolarHBondContact OD2-NZ 3.14Å; S1539-K1543 PolarHBondContact O-N 2.72Å; P1540-K1543 WeakPolarHBondContact O-CB 3.34Å; P1540-K1543 PolarHBondContact O-N 3.44Å; K1543-L1545 PolarHBondContact O-N 3.25Å; K1543-L1546 WeakPolarHBondContact O-CB 3.29Å; K1543-L1546 PolarHBondContact O-N 3.23Å; K1543-L1547 HydrophobicContact CG-CD1 3.77Å; K1543-L1547 HydrophobicContact CG-CG 4.46Å; K1543-L1547 WeakPolarHBondContact O-CB 3.29Å; K1543-L1547 WeakPolarHBondContact O-CG 3.48Å; K1543-L1547 PolarHBondContact O-N 2.94Å |
| 1544 | D | 89.3 | Confident | 87.8 | Confident | 90 Ų | 90 | 41.4 Ų | 41.4 | 48% | 0.481 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.1 | -48.9 | 173.8 | -94.7 | -4.2 | 0 | 0 | 0 | 112.8 | P1540 F1541 L1542 L1546 L1547 L1548 | P1540-D1544 PolarHBondContact O-N 3.07Å; F1541-D1544 HydrophobicContact CD2-CB 4.3Å; F1541-D1544 PolarHBondContact O-N 3.11Å; L1542-D1544 PolarHBondContact O-N 3.42Å; D1544-L1546 VanDerWaalsContact C-N 3.26Å; D1544-L1546 PolarHBondContact O-N 2.92Å; D1544-L1547 PolarHBondContact O-N 3.46Å; D1544-L1548 WeakPolarHBondContact O-CB 3.43Å; D1544-L1548 PolarHBondContact O-N 2.69Å |
| 1545 | L | 92.4 | Very high | 88.2 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.6 | -29.2 | -179.7 | -72.8 | 172.6 | 0 | 0 | 0 | 112.8 | N1408 L1412 L1467 I1537 F1541 L1542 K1543 C1549 | N1408-L1545 HydrophobicContact CB-CD2 3.87Å; L1412-L1545 HydrophobicContact CD1-CD1 4.12Å; L1412-L1545 HydrophobicContact CD2-CD1 4.13Å; L1412-L1545 HydrophobicContact CG-CD1 4.41Å; L1467-L1545 HydrophobicContact CD1-CB 3.89Å; L1467-L1545 HydrophobicContact CD2-CD1 4.43Å; I1537-L1545 HydrophobicContact CD1-CD1 4.38Å; I1537-L1545 HydrophobicContact CG2-CD1 4.34Å; F1541-L1545 HydrophobicContact CD1-CD1 4.21Å; F1541-L1545 HydrophobicContact CD2-CG 4.33Å; F1541-L1545 HydrophobicContact CE1-CD1 3.94Å; F1541-L1545 HydrophobicContact CE2-CD1 4.26Å; F1541-L1545 HydrophobicContact CE2-CD2 4.19Å; F1541-L1545 HydrophobicContact CE2-CG 3.97Å; F1541-L1545 HydrophobicContact CG-CD1 4.5Å; F1541-L1545 HydrophobicContact CZ-CD1 3.94Å; F1541-L1545 HydrophobicContact CZ-CD2 4.13Å; F1541-L1545 HydrophobicContact CZ-CG 4.08Å; F1541-L1545 WeakPolarHBondContact O-CB 3.47Å; F1541-L1545 VanDerWaalsContact O-CG 3.26Å; F1541-L1545 WeakPolarHBondContact O-CG 3.24Å; F1541-L1545 PolarHBondContact O-N 3.35Å; L1542-L1545 PolarHBondContact O-N 3.21Å; K1543-L1545 PolarHBondContact O-N 3.25Å; L1545-C1549 WeakPolarHBondContact O-CB 3.12Å; L1545-C1549 PolarHBondContact O-SG 2.78Å; L1545-C1549 VanDerWaalsContact O-SG 3.34Å |
| 1546 | L | 93.2 | Very high | 88 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.3 | -50.3 | 171 | -66.1 | 168.7 | 0 | 0 | 0 | 110.7 | S633 L1471 V1521 L1524 L1542 K1543 D1544 C1549 T1550 L1574 | S633-L1546 PolarHBondContact OG-O 2.89Å; L1471-L1546 HydrophobicContact CD1-CD2 4.48Å; V1521-L1546 HydrophobicContact CB-CD1 4.49Å; V1521-L1546 HydrophobicContact CG1-CB 4.21Å; V1521-L1546 HydrophobicContact CG1-CD1 3.76Å; V1521-L1546 HydrophobicContact CG2-CB 4.05Å; V1521-L1546 HydrophobicContact CG2-CD1 4.26Å; L1524-L1546 HydrophobicContact CD2-CD1 4.26Å; L1542-L1546 HydrophobicContact CG-CD1 4.06Å; L1542-L1546 HydrophobicContact CG-CG 4.46Å; L1542-L1546 WeakPolarHBondContact O-CG 3.48Å; L1542-L1546 PolarHBondContact O-N 2.71Å; K1543-L1546 WeakPolarHBondContact O-CB 3.29Å; K1543-L1546 PolarHBondContact O-N 3.23Å; D1544-L1546 VanDerWaalsContact C-N 3.26Å; D1544-L1546 PolarHBondContact O-N 2.92Å; L1546-C1549 CarbonylContact O-C 3.55Å; L1546-C1549 VanDerWaalsContact O-CB 3.29Å; L1546-C1549 WeakPolarHBondContact O-CB 3.5Å; L1546-C1549 PolarHBondContact O-N 3.4Å; L1546-T1550 PolarHBondContact O-N 3.01Å; L1546-T1550 PolarHBondContact O-OG1 2.77Å; L1546-L1574 HydrophobicContact CD2-CB 4.22Å; L1546-L1574 HydrophobicContact CD2-CD1 3.6Å; L1546-L1574 HydrophobicContact CD2-CD2 3.47Å; L1546-L1574 VanDerWaalsContact CD2-CD2 3.47Å; L1546-L1574 HydrophobicContact CD2-CG 3.94Å |
| 1547 | L | 89.8 | Confident | 88.1 | Confident | 38 Ų | 38 | 29.5 Ų | 29.5 | 20% | 0.199 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -78.1 | -41.6 | -171.6 | -69 | 176.2 | 0 | 0 | 0 | 115.3 | L1517 V1521 K1543 D1544 C1549 T1550 A1551 | L1517-L1547 HydrophobicContact CD1-CD2 4.23Å; L1517-L1547 HydrophobicContact CD2-CD2 3.91Å; L1517-L1547 HydrophobicContact CG-CD2 3.76Å; V1521-L1547 HydrophobicContact CG1-CG 4.48Å; V1521-L1547 HydrophobicContact CG2-CD2 4.02Å; V1521-L1547 HydrophobicContact CG2-CG 4.44Å; K1543-L1547 HydrophobicContact CG-CD1 3.77Å; K1543-L1547 HydrophobicContact CG-CG 4.46Å; K1543-L1547 WeakPolarHBondContact O-CB 3.29Å; K1543-L1547 WeakPolarHBondContact O-CG 3.48Å; K1543-L1547 PolarHBondContact O-N 2.94Å; D1544-L1547 PolarHBondContact O-N 3.46Å; L1547-C1549 CarbonylContact O-C 3.44Å; L1547-C1549 PolarHBondContact O-N 2.78Å; L1547-T1550 PolarHBondContact O-N 2.65Å; L1547-T1550 VanDerWaalsContact O-N 3.11Å; L1547-A1551 PolarHBondContact O-N 2.94Å |
| 1548 | L | 89.3 | Confident | 87.6 | Confident | 17 Ų | 17 | 33.3 Ų | 33.3 | 9% | 0.089 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -46.2 | -36.3 | 166.9 | 164.5 | 65.3 | 0 | 0 | 0 | 110.9 | L1401 R1404 D1544 | L1401-L1548 HydrophobicContact CD1-CD1 3.95Å; R1404-L1548 HydrophobicContact CB-CD1 3.96Å; D1544-L1548 WeakPolarHBondContact O-CB 3.43Å; D1544-L1548 PolarHBondContact O-N 2.69Å |
| 1549 | C | 88.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -78.4 | -64.8 | 174.8 | -73.5 | 0 | 0 | 0 | 0 | 110.2 | N631 S633 T1460 L1545 L1546 L1547 A1551 V1553 L1574 | N631-C1549 WeakPolarHBondContact ND2-CA 3.32Å; N631-C1549 PolarHBondContact ND2-O 2.89Å; N631-C1549 PolarHBondContact OD1-O 2.89Å; S633-C1549 WeakPolarHBondContact CB-O 3.47Å; S633-C1549 WeakPolarHBondContact OG-CB 3.34Å; T1460-C1549 PolarHBondContact OG1-SG 2.98Å; L1545-C1549 WeakPolarHBondContact O-CB 3.12Å; L1545-C1549 PolarHBondContact O-SG 2.78Å; L1545-C1549 VanDerWaalsContact O-SG 3.34Å; L1546-C1549 CarbonylContact O-C 3.55Å; L1546-C1549 VanDerWaalsContact O-CB 3.29Å; L1546-C1549 WeakPolarHBondContact O-CB 3.5Å; L1546-C1549 PolarHBondContact O-N 3.4Å; L1547-C1549 CarbonylContact O-C 3.44Å; L1547-C1549 PolarHBondContact O-N 2.78Å; C1549-A1551 PolarHBondContact O-N 2.84Å; C1549-V1553 VanDerWaalsContact O-CG2 3.26Å; C1549-V1553 WeakPolarHBondContact O-CG2 3.42Å; C1549-L1574 HydrophobicContact CB-CD1 4.09Å |
| 1550 | T | 88.7 | Confident | 87 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -74.9 | -25.6 | -163.3 | 22.1 | 0 | 0 | 0 | 0 | 116.9 | L628 S633 L1517 L1546 L1547 L1578 | L628-T1550 WeakPolarHBondContact CD1-O 3.19Å; S633-T1550 VanDerWaalsContact CB-CG2 3.4Å; S633-T1550 VanDerWaalsContact OG-CG2 3.24Å; S633-T1550 WeakPolarHBondContact OG-CG2 3.39Å; S633-T1550 PolarHBondContact OG-N 3.13Å; S633-T1550 VanDerWaalsContact OG-N 3.14Å; L1517-T1550 HydrophobicContact CD1-CG2 3.91Å; L1517-T1550 VanDerWaalsContact CD1-OG1 3.28Å; L1517-T1550 WeakPolarHBondContact CD1-OG1 3.32Å; L1546-T1550 PolarHBondContact O-N 3.01Å; L1546-T1550 PolarHBondContact O-OG1 2.77Å; L1547-T1550 PolarHBondContact O-N 2.65Å; L1547-T1550 VanDerWaalsContact O-N 3.11Å; T1550-L1578 HydrophobicContact CG2-CD1 3.82Å |
| 1551 | A | 87.5 | Confident | 86.9 | Confident | 38 Ų | 38 | 34.1 Ų | 34.1 | 31% | 0.314 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -103.2 | 145.4 | -162.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1517 L1547 C1549 V1553 | L1517-A1551 HydrophobicContact CD2-CB 3.76Å; L1547-A1551 PolarHBondContact O-N 2.94Å; C1549-A1551 PolarHBondContact O-N 2.84Å; A1551-V1553 WeakPolarHBondContact O-CG2 3.4Å; A1551-V1553 PolarHBondContact O-N 2.79Å; A1551-V1553 VanDerWaalsContact O-N 3.09Å |
| 1552 | N | 84.2 | Confident | 86.8 | Confident | 92 Ų | 92 | 33.2 Ų | 33.2 | 49% | 0.492 | 18% | 0.178 | S | C | . | . | S | Bend | trans | 55.4 | 28.4 | 166.4 | -88.7 | -44.7 | 0 | 0 | 0 | 116.4 | Q1564 | N1552-Q1564 WeakPolarHBondContact CA-O 3.47Š|
| 1553 | V | 88.1 | Confident | 86.5 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 5% | 0.048 | 19% | 0.19 | C | C | . | . | trans | -83.3 | 148.4 | -173.4 | -130.9 | 0 | 0 | 0 | 0 | 109 | L628 Q629 N631 C1549 A1551 R1563 Q1564 | L628-V1553 VanDerWaalsContact CA-O 3.28Å; L628-V1553 WeakPolarHBondContact CA-O 3.48Å; L628-V1553 HydrophobicContact CB-CB 3.88Å; L628-V1553 HydrophobicContact CB-CG2 4.2Å; L628-V1553 HydrophobicContact CD1-CB 4.4Å; L628-V1553 HydrophobicContact CD1-CG2 3.78Å; L628-V1553 HydrophobicContact CD2-CB 3.68Å; L628-V1553 HydrophobicContact CD2-CG2 3.64Å; L628-V1553 VanDerWaalsContact CD2-O 3.27Å; L628-V1553 WeakPolarHBondContact CD2-O 3.49Å; L628-V1553 HydrophobicContact CG-CB 4.18Å; L628-V1553 HydrophobicContact CG-CG2 4.08Å; Q629-V1553 HydrophobicContact CB-CB 3.86Å; Q629-V1553 HydrophobicContact CB-CG1 3.18Å; Q629-V1553 HydrophobicContact CG-CG1 4.41Å; Q629-V1553 VanDerWaalsContact N-CB 3.31Å; N631-V1553 HydrophobicContact CB-CG1 4.32Å; N631-V1553 VanDerWaalsContact ND2-CG1 3.35Å; N631-V1553 WeakPolarHBondContact ND2-CG1 3.49Å; C1549-V1553 VanDerWaalsContact O-CG2 3.26Å; C1549-V1553 WeakPolarHBondContact O-CG2 3.42Å; A1551-V1553 WeakPolarHBondContact O-CG2 3.4Å; A1551-V1553 PolarHBondContact O-N 2.79Å; A1551-V1553 VanDerWaalsContact O-N 3.09Å; V1553-R1563 WeakPolarHBondContact O-CG 3.49Å; V1553-Q1564 PolarHBondContact O-N 2.78Å | ||
| 1554 | Q | 85 | Confident | 86.3 | Confident | 25 Ų | 25 | 33.3 Ų | 33.3 | 12% | 0.117 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 154.2 | -167.6 | -1.1 | 147.3 | -102.5 | 0 | 0 | 116.5 | Q629 D1391 N1395 I1396 F1562 R1563 | Q629-Q1554 WeakPolarHBondContact CA-O 3.37Å; Q629-Q1554 VanDerWaalsContact CB-N 3.34Å; Q629-Q1554 WeakPolarHBondContact CB-O 3.39Å; Q629-Q1554 VanDerWaalsContact CD-O 3.32Å; Q629-Q1554 WeakPolarHBondContact CG-O 3.16Å; Q629-Q1554 PolarHBondContact N-O 3.05Å; Q629-Q1554 PolarHBondContact NE2-O 3.39Å; D1391-Q1554 WeakPolarHBondContact OD2-CB 3.42Å; D1391-Q1554 PolarHBondContact OD2-NE2 3.27Å; N1395-Q1554 PolarHBondContact O-NE2 3.46Å; I1396-Q1554 HydrophobicContact CD1-CB 4.2Å; I1396-Q1554 HydrophobicContact CG1-CB 4.15Å; Q1554-F1562 CarbonylContact C-O 3.13Å; Q1554-F1562 WeakPolarHBondContact CA-O 3.43Å; Q1554-F1562 WeakPolarHBondContact CB-O 3.19Å; Q1554-R1563 HydrophobicContact CB-CB 4.1Å; Q1554-R1563 HydrophobicContact CB-CG 3.94Å; Q1554-R1563 HydrophobicContact CG-CG 3.9Å |
| 1555 | F | 88.6 | Confident | 86 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.5 | -164.5 | -166.9 | 69.9 | -65.4 | 0 | 0 | 0 | 116.4 | L623 R624 K627 L628 P1434 Y1561 F1562 | L623-F1555 HydrophobicContact CB-CB 4.37Å; L623-F1555 HydrophobicContact CB-CD1 4.47Å; L623-F1555 HydrophobicContact CB-CD2 3.94Å; L623-F1555 HydrophobicContact CB-CG 3.87Å; R624-F1555 HydrophobicContact CB-CD2 4.36Å; R624-F1555 HydrophobicContact CB-CE2 3.52Å; R624-F1555 HydrophobicContact CB-CZ 4.02Å; R624-F1555 HydrophobicContact CG-CD2 3.92Å; R624-F1555 HydrophobicContact CG-CE2 3.32Å; R624-F1555 HydrophobicContact CG-CZ 4.29Å; K627-F1555 HydrophobicContact CB-CD1 4.49Å; K627-F1555 HydrophobicContact CB-CE1 3.49Å; K627-F1555 VanDerWaalsContact CB-CE1 3.49Å; K627-F1555 HydrophobicContact CB-CZ 4.06Å; K627-F1555 HydrophobicContact CG-CE1 3.82Å; K627-F1555 HydrophobicContact CG-CZ 3.86Å; K627-F1555 WeakPolarHBondContact O-CD1 3.3Å; K627-F1555 WeakPolarHBondContact O-CE1 3.49Å; L628-F1555 WeakPolarHBondContact O-CB 3.38Å; L628-F1555 WeakPolarHBondContact O-CD1 3.48Å; L628-F1555 WeakPolarHBondContact O-CG 3.33Å; P1434-F1555 HydrophobicContact CG-CB 3.27Å; P1434-F1555 HydrophobicContact CG-CG 4.15Å; F1555-Y1561 CarbonylContact O-C 3.52Å; F1555-Y1561 WeakPolarHBondContact O-CA 3.37Å; F1555-F1562 HydrophobicContact CD1-CB 4.21Å; F1555-F1562 VanDerWaalsContact CD1-O 3.31Å; F1555-F1562 WeakPolarHBondContact CD1-O 3.41Å; F1555-F1562 VanDerWaalsContact CE1-C 3.41Å; F1555-F1562 HydrophobicContact CE1-CB 3.17Å; F1555-F1562 HydrophobicContact CE1-CG 4.35Å; F1555-F1562 VanDerWaalsContact CE1-O 3.23Å; F1555-F1562 WeakPolarHBondContact CE1-O 3.16Å; F1555-F1562 HydrophobicContact CE2-CB 3.83Å; F1555-F1562 HydrophobicContact CE2-CD2 4.26Å; F1555-F1562 HydrophobicContact CE2-CG 4.39Å; F1555-F1562 HydrophobicContact CZ-CB 2.95Å; F1555-F1562 HydrophobicContact CZ-CD2 4.02Å; F1555-F1562 AromaticContact CZ-CG 3.71Å; F1555-F1562 HydrophobicContact CZ-CG 3.71Å; F1555-F1562 PolarHBondContact N-O 3.26Å; F1555-F1562 PolarHBondContact O-N 2.99Å |
| 1556 | T | 83.7 | Confident | 85.6 | Confident | 23 Ų | 23 | 34.4 Ų | 34.4 | 14% | 0.141 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 146.3 | -174.3 | 92.9 | 0 | 0 | 0 | 0 | 121 | R624 L1433 P1434 N1435 E1560 Y1561 | R624-T1556 WeakPolarHBondContact CD-O 3.33Å; R624-T1556 WeakPolarHBondContact CG-O 3.22Å; L1433-T1556 HydrophobicContact CB-CG2 3.86Å; L1433-T1556 HydrophobicContact CD1-CG2 3.91Å; P1434-T1556 PolarHBondContact O-N 2.84Å; P1434-T1556 PolarHBondContact O-OG1 2.57Å; P1434-T1556 VanDerWaalsContact O-OG1 3.1Å; N1435-T1556 WeakPolarHBondContact CA-O 3.28Å; N1435-T1556 VanDerWaalsContact CB-O 3.32Å; N1435-T1556 WeakPolarHBondContact CB-O 3.48Å; N1435-T1556 WeakPolarHBondContact CB-OG1 3.32Å; T1556-E1560 CarbonylContact C-O 3.59Å; T1556-E1560 WeakPolarHBondContact CA-O 3.17Å; T1556-E1560 VanDerWaalsContact CB-O 3.24Å; T1556-E1560 WeakPolarHBondContact CB-O 3.39Å; T1556-Y1561 HydrophobicContact CG2-CD1 3.66Å; T1556-Y1561 HydrophobicContact CG2-CE1 3.35Å |
| 1557 | F | 84.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 107.5 | 168.7 | -172 | -74.8 | 0 | 0 | 0 | 117.2 | R624 K1375 M1378 L1379 L1382 G1559 E1560 F1562 | R624-F1557 HydrophobicContact CB-CB 4.29Å; R624-F1557 HydrophobicContact CB-CD2 3.6Å; R624-F1557 HydrophobicContact CB-CE2 4.43Å; R624-F1557 HydrophobicContact CB-CG 4.39Å; R624-F1557 HydrophobicContact CG-CB 3.6Å; R624-F1557 HydrophobicContact CG-CD2 3.6Å; R624-F1557 HydrophobicContact CG-CG 3.96Å; R624-F1557 VanDerWaalsContact NE-CE2 3.26Å; R624-F1557 VanDerWaalsContact NH2-CD1 3.34Å; K1375-F1557 HydrophobicContact CD-CE1 4.31Å; K1375-F1557 HydrophobicContact CG-CE1 3.51Å; K1375-F1557 HydrophobicContact CG-CZ 3.85Å; K1375-F1557 WeakPolarHBondContact O-CZ 3.25Å; M1378-F1557 HydrophobicContact CB-CE2 3.49Å; M1378-F1557 VanDerWaalsContact CB-CE2 3.49Å; M1378-F1557 HydrophobicContact CB-CZ 3.88Å; L1379-F1557 HydrophobicContact CD2-CD1 3.9Å; L1379-F1557 HydrophobicContact CD2-CD2 4.49Å; L1379-F1557 HydrophobicContact CD2-CE1 3.55Å; L1379-F1557 HydrophobicContact CD2-CE2 4.27Å; L1379-F1557 HydrophobicContact CD2-CG 4.43Å; L1379-F1557 HydrophobicContact CD2-CZ 3.8Å; L1379-F1557 HydrophobicContact CG-CE1 3.9Å; L1379-F1557 HydrophobicContact CG-CZ 3.84Å; L1382-F1557 HydrophobicContact CD1-CB 4.23Å; L1382-F1557 HydrophobicContact CD1-CD1 4.45Å; L1382-F1557 HydrophobicContact CD1-CD2 3.04Å; L1382-F1557 HydrophobicContact CD1-CE2 3.48Å; L1382-F1557 VanDerWaalsContact CD1-CE2 3.48Å; L1382-F1557 HydrophobicContact CD1-CG 3.7Å; L1382-F1557 HydrophobicContact CD1-CZ 4.33Å; L1382-F1557 HydrophobicContact CG-CD2 4.11Å; L1382-F1557 HydrophobicContact CG-CE2 4.45Å; F1557-G1559 PolarHBondContact O-N 2.89Å; F1557-E1560 HydrophobicContact CB-CB 4.02Å; F1557-E1560 PolarHBondContact N-O 3.22Å; F1557-E1560 VanDerWaalsContact O-CB 3.25Å; F1557-E1560 WeakPolarHBondContact O-CB 3.33Å; F1557-E1560 VanDerWaalsContact O-CG 3.29Å; F1557-E1560 WeakPolarHBondContact O-CG 3.31Å; F1557-E1560 PolarHBondContact O-N 3.45Å; F1557-F1562 HydrophobicContact CB-CD2 3.79Å; F1557-F1562 HydrophobicContact CB-CE2 3.4Å; F1557-F1562 VanDerWaalsContact CB-CE2 3.4Å; F1557-F1562 HydrophobicContact CB-CZ 4.41Å; F1557-F1562 HydrophobicContact CG-CE2 4.29Å |
| 1558 | E | 77.4 | Confident | 85.2 | Confident | 83 Ų | 83 | 32.9 Ų | 32.9 | 39% | 0.388 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 10.2 | -167.1 | -65.4 | -54.4 | 101.7 | 0 | 0 | 113.3 | R624 K1371 K1375 | R624-E1558 IonicContact CZ-OE1 2.68Å; R624-E1558 IonicContact NH1-OE1 3.53Å; R624-E1558 PolarHBondContact NH1-OE1 2.8Å; R624-E1558 VanDerWaalsContact NH2-CG 3.34Å; R624-E1558 IonicContact NH2-OE1 3.48Å; R624-E1558 PolarHBondContact NH2-OE1 3.04Å; K1371-E1558 WeakPolarHBondContact CE-OE2 3.44Å; K1371-E1558 IonicContact NZ-OE2 3.54Å; K1375-E1558 HydrophobicContact CG-CG 4.38Å |
| 1559 | G | 75.9 | Confident | 85 | Confident | 41 Ų | 41 | 32 Ų | 32 | 42% | 0.423 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 130.6 | -38.8 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | F1557 Y1561 | F1557-G1559 PolarHBondContact O-N 2.89Å; G1559-Y1561 WeakPolarHBondContact O-CD2 3.37Å; G1559-Y1561 WeakPolarHBondContact O-CE2 3.49Å |
| 1560 | E | 82.9 | Confident | 84.7 | Confident | 97 Ų | 97 | 33.3 Ų | 33.3 | 45% | 0.453 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 174.4 | 177.6 | -61.1 | -53 | 129.3 | 0 | 0 | 113.4 | T1556 F1557 F1562 | T1556-E1560 CarbonylContact C-O 3.59Å; T1556-E1560 WeakPolarHBondContact CA-O 3.17Å; T1556-E1560 VanDerWaalsContact CB-O 3.24Å; T1556-E1560 WeakPolarHBondContact CB-O 3.39Å; F1557-E1560 HydrophobicContact CB-CB 4.02Å; F1557-E1560 PolarHBondContact N-O 3.22Å; F1557-E1560 VanDerWaalsContact O-CB 3.25Å; F1557-E1560 WeakPolarHBondContact O-CB 3.33Å; F1557-E1560 VanDerWaalsContact O-CG 3.29Å; F1557-E1560 WeakPolarHBondContact O-CG 3.31Å; F1557-E1560 PolarHBondContact O-N 3.45Å; E1560-F1562 HydrophobicContact CB-CD2 4.21Å; E1560-F1562 HydrophobicContact CB-CE2 3.63Å; E1560-F1562 HydrophobicContact CG-CE2 4.49Å |
| 1561 | Y | 83.4 | Confident | 84.3 | Confident | 75 Ų | 75 | 33.3 Ų | 33.3 | 29% | 0.294 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 157.2 | -180 | -61.7 | -94.4 | 0 | 0 | 0 | 115.8 | Q1390 D1391 S1393 I1396 L1433 F1555 T1556 G1559 | Q1390-Y1561 WeakPolarHBondContact CG-O 3.27Å; D1391-Y1561 PolarHBondContact N-O 3.02Å; D1391-Y1561 CarbonylContact O-C 3.53Å; D1391-Y1561 VanDerWaalsContact O-CB 3.23Å; D1391-Y1561 WeakPolarHBondContact O-CB 3.47Å; S1393-Y1561 VanDerWaalsContact CB-CD2 3.44Å; I1396-Y1561 HydrophobicContact CD1-CD1 3.45Å; I1396-Y1561 VanDerWaalsContact CD1-CD1 3.45Å; I1396-Y1561 HydrophobicContact CD1-CE1 4.44Å; I1396-Y1561 HydrophobicContact CD1-CG 3.87Å; L1433-Y1561 HydrophobicContact CD1-CD1 4.2Å; L1433-Y1561 HydrophobicContact CD1-CE1 3.74Å; F1555-Y1561 CarbonylContact O-C 3.52Å; F1555-Y1561 WeakPolarHBondContact O-CA 3.37Å; T1556-Y1561 HydrophobicContact CG2-CD1 3.66Å; T1556-Y1561 HydrophobicContact CG2-CE1 3.35Å; G1559-Y1561 WeakPolarHBondContact O-CD2 3.37Å; G1559-Y1561 WeakPolarHBondContact O-CE2 3.49Å |
| 1562 | F | 86.9 | Confident | 84.3 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 1% | 0.013 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.7 | 160.3 | -154.5 | -79.4 | -75.2 | 0 | 0 | 0 | 114.8 | K627 L1382 L1389 Q1390 Q1554 F1555 F1557 E1560 | K627-F1562 HydrophobicContact CD-CB 3.83Å; K627-F1562 HydrophobicContact CD-CD1 3.46Å; K627-F1562 VanDerWaalsContact CD-CD1 3.46Å; K627-F1562 HydrophobicContact CD-CE1 4.34Å; K627-F1562 HydrophobicContact CD-CG 4Å; K627-F1562 VanDerWaalsContact CE-CE1 3.49Å; K627-F1562 HydrophobicContact CG-CB 4.17Å; K627-F1562 HydrophobicContact CG-CD1 4.4Å; L1382-F1562 HydrophobicContact CB-CE1 4.35Å; L1382-F1562 HydrophobicContact CD1-CE1 4.13Å; L1382-F1562 HydrophobicContact CD1-CE2 4.03Å; L1382-F1562 HydrophobicContact CD1-CZ 3.65Å; L1382-F1562 HydrophobicContact CD2-CD1 3.91Å; L1382-F1562 HydrophobicContact CD2-CD2 4.38Å; L1382-F1562 HydrophobicContact CD2-CE1 3.82Å; L1382-F1562 HydrophobicContact CD2-CE2 4.36Å; L1382-F1562 HydrophobicContact CD2-CG 4.18Å; L1382-F1562 HydrophobicContact CD2-CZ 4.06Å; L1382-F1562 HydrophobicContact CG-CE1 4.38Å; L1382-F1562 HydrophobicContact CG-CZ 4.38Å; L1389-F1562 CarbonylContact O-C 3.41Å; L1389-F1562 WeakPolarHBondContact O-CA 3.4Å; Q1390-F1562 VanDerWaalsContact CA-CD1 3.43Å; Q1390-F1562 HydrophobicContact CB-CD1 3.65Å; Q1390-F1562 HydrophobicContact CB-CE1 3.57Å; Q1390-F1562 HydrophobicContact CB-CZ 4.4Å; Q1390-F1562 VanDerWaalsContact CD-CE1 3.49Å; Q1390-F1562 VanDerWaalsContact CD-CZ 3.43Å; Q1390-F1562 HydrophobicContact CG-CD1 3.62Å; Q1390-F1562 HydrophobicContact CG-CE1 3.4Å; Q1390-F1562 HydrophobicContact CG-CE2 4.25Å; Q1390-F1562 HydrophobicContact CG-CG 4.2Å; Q1390-F1562 HydrophobicContact CG-CZ 3.74Å; Q1554-F1562 CarbonylContact C-O 3.13Å; Q1554-F1562 WeakPolarHBondContact CA-O 3.43Å; Q1554-F1562 WeakPolarHBondContact CB-O 3.19Å; F1555-F1562 HydrophobicContact CD1-CB 4.21Å; F1555-F1562 VanDerWaalsContact CD1-O 3.31Å; F1555-F1562 WeakPolarHBondContact CD1-O 3.41Å; F1555-F1562 VanDerWaalsContact CE1-C 3.41Å; F1555-F1562 HydrophobicContact CE1-CB 3.17Å; F1555-F1562 HydrophobicContact CE1-CG 4.35Å; F1555-F1562 VanDerWaalsContact CE1-O 3.23Å; F1555-F1562 WeakPolarHBondContact CE1-O 3.16Å; F1555-F1562 HydrophobicContact CE2-CB 3.83Å; F1555-F1562 HydrophobicContact CE2-CD2 4.26Å; F1555-F1562 HydrophobicContact CE2-CG 4.39Å; F1555-F1562 HydrophobicContact CZ-CB 2.95Å; F1555-F1562 HydrophobicContact CZ-CD2 4.02Å; F1555-F1562 AromaticContact CZ-CG 3.71Å; F1555-F1562 HydrophobicContact CZ-CG 3.71Å; F1555-F1562 PolarHBondContact N-O 3.26Å; F1555-F1562 PolarHBondContact O-N 2.99Å; F1557-F1562 HydrophobicContact CB-CD2 3.79Å; F1557-F1562 HydrophobicContact CB-CE2 3.4Å; F1557-F1562 VanDerWaalsContact CB-CE2 3.4Å; F1557-F1562 HydrophobicContact CB-CZ 4.41Å; F1557-F1562 HydrophobicContact CG-CE2 4.29Å; E1560-F1562 HydrophobicContact CB-CD2 4.21Å; E1560-F1562 HydrophobicContact CB-CE2 3.63Å; E1560-F1562 HydrophobicContact CG-CE2 4.49Å |
| 1563 | R | 85.8 | Confident | 84.3 | Confident | 66 Ų | 66 | 27.1 Ų | 27.1 | 25% | 0.249 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 137.6 | -178.4 | -160.7 | -174.5 | -51 | 179.1 | 7.8 | 116 | K627 L1389 D1391 V1553 Q1554 | K627-R1563 WeakPolarHBondContact CB-O 3.39Å; K627-R1563 CarbonylContact O-C 3.36Å; K627-R1563 WeakPolarHBondContact O-CA 3.03Å; L1389-R1563 PolarHBondContact N-O 3.22Å; L1389-R1563 PolarHBondContact O-N 3.19Å; D1391-R1563 VanDerWaalsContact CG-NH2 3.26Å; D1391-R1563 IonicContact OD1-CZ 2.78Å; D1391-R1563 IonicContact OD1-NE 2.79Å; D1391-R1563 IonicContact OD1-NH2 2.81Å; D1391-R1563 PolarHBondContact OD1-NH2 2.44Å; D1391-R1563 IonicContact OD2-CZ 3.55Å; D1391-R1563 VanDerWaalsContact OD2-CZ 3.31Å; D1391-R1563 IonicContact OD2-NE 3.45Å; D1391-R1563 PolarHBondContact OD2-NE 3.24Å; D1391-R1563 IonicContact OD2-NH2 2.6Å; D1391-R1563 PolarHBondContact OD2-NH2 2.91Å; V1553-R1563 WeakPolarHBondContact O-CG 3.49Å; Q1554-R1563 HydrophobicContact CB-CB 4.1Å; Q1554-R1563 HydrophobicContact CB-CG 3.94Å; Q1554-R1563 HydrophobicContact CG-CG 3.9Å |
| 1564 | Q | 87.6 | Confident | 84.4 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.009 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 129.3 | 171.9 | 154.4 | 178.3 | 72 | 0 | 0 | 108.2 | N626 K627 L628 K1387 F1388 N1552 V1553 D1566 | N626-Q1564 VanDerWaalsContact C-CB 3.49Å; N626-Q1564 VanDerWaalsContact O-CB 3.3Å; N626-Q1564 WeakPolarHBondContact O-CB 3.33Å; N626-Q1564 PolarHBondContact O-OE1 3.2Å; N626-Q1564 VanDerWaalsContact O-OE1 3.14Å; K627-Q1564 HydrophobicContact CB-CB 3.73Å; K627-Q1564 PolarHBondContact O-N 2.76Å; L628-Q1564 HydrophobicContact CD2-CB 3.41Å; L628-Q1564 VanDerWaalsContact CD2-CB 3.41Å; L628-Q1564 HydrophobicContact CD2-CG 3.73Å; L628-Q1564 WeakPolarHBondContact CD2-O 3.3Å; L628-Q1564 HydrophobicContact CG-CB 3.84Å; L628-Q1564 HydrophobicContact CG-CG 4.09Å; K1387-Q1564 VanDerWaalsContact O-CA 3.24Å; K1387-Q1564 WeakPolarHBondContact O-CA 3.28Å; F1388-Q1564 HydrophobicContact CD1-CB 3.96Å; F1388-Q1564 HydrophobicContact CD1-CG 4.37Å; F1388-Q1564 HydrophobicContact CE1-CB 4.26Å; F1388-Q1564 HydrophobicContact CE1-CG 4.3Å; N1552-Q1564 WeakPolarHBondContact CA-O 3.47Å; V1553-Q1564 PolarHBondContact O-N 2.78Å; Q1564-D1566 WeakPolarHBondContact CG-O 3.5Å; Q1564-D1566 PolarHBondContact NE2-O 2.97Å |
| 1565 | V | 83.3 | Confident | 84.5 | Confident | 57 Ų | 57 | 25.6 Ų | 25.6 | 35% | 0.345 | 13% | 0.134 | S | C | . | . | trans | -104.9 | -37.4 | -173.9 | -64.2 | 0 | 0 | 0 | 0 | 111.6 | S1386 K1387 L1389 | S1386-V1565 WeakPolarHBondContact O-CG2 3.48Å; K1387-V1565 PolarHBondContact O-N 2.74Å; L1389-V1565 HydrophobicContact CD1-CG1 3.76Å; L1389-V1565 HydrophobicContact CG-CG1 4.1Å | ||
| 1566 | D | 83.2 | Confident | 84.5 | Confident | 58 Ų | 58 | 25.6 Ų | 25.6 | 31% | 0.31 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -121.2 | 152.6 | -177.5 | 178.8 | 45.1 | 0 | 0 | 0 | 112.9 | K1387 Q1564 | K1387-D1566 HydrophobicContact CD-CB 4.18Å; K1387-D1566 WeakPolarHBondContact CD-OD2 3.42Å; K1387-D1566 IonicContact NZ-OD2 2.77Å; K1387-D1566 PolarHBondContact NZ-OD2 3.35Å; Q1564-D1566 WeakPolarHBondContact CG-O 3.5Å; Q1564-D1566 PolarHBondContact NE2-O 2.97Å |
| 1567 | G | 85 | Confident | 84.8 | Confident | 5 Ų | 5 | 24.6 Ų | 24.6 | 5% | 0.052 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 75 | -160.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1513 | T1513-G1567 WeakPolarHBondContact O-CA 3.46Š|
| 1568 | V | 89.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -144.1 | 78.7 | -161 | -58.6 | 0 | 0 | 0 | 0 | 109.7 | R637 F1512 V1515 L1517 M1570 | R637-V1568 WeakPolarHBondContact CD-O 3.34Å; R637-V1568 PolarHBondContact NE-O 3.47Å; R637-V1568 PolarHBondContact NH1-O 3.44Å; F1512-V1568 HydrophobicContact CD1-CG2 4.39Å; F1512-V1568 CarbonylContact O-C 3.55Å; F1512-V1568 WeakPolarHBondContact O-CA 3.35Å; F1512-V1568 WeakPolarHBondContact O-CG2 3.33Å; F1512-V1568 PolarHBondContact O-N 3.03Å; F1512-V1568 VanDerWaalsContact O-O 3.08Å; V1515-V1568 HydrophobicContact CB-CB 4.39Å; V1515-V1568 HydrophobicContact CB-CG1 3.92Å; V1515-V1568 HydrophobicContact CB-CG2 3.51Å; V1515-V1568 HydrophobicContact CG1-CG1 4.17Å; V1515-V1568 HydrophobicContact CG1-CG2 4.24Å; V1515-V1568 HydrophobicContact CG2-CG2 3.54Å; L1517-V1568 HydrophobicContact CB-CG1 3.85Å; L1517-V1568 HydrophobicContact CD1-CG1 3.8Å; L1517-V1568 HydrophobicContact CG-CG1 4.27Å; V1568-M1570 PolarHBondContact O-N 2.84Å | ||
| 1569 | A | 84.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -28.8 | 108.1 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | N626 L628 R637 L1453 G1571 S1572 | N626-A1569 HydrophobicContact CB-CB 3.47Å; N626-A1569 VanDerWaalsContact CB-CB 3.47Å; L628-A1569 HydrophobicContact CB-CB 4.29Å; L628-A1569 HydrophobicContact CD1-CB 3.57Å; L628-A1569 HydrophobicContact CG-CB 3.87Å; R637-A1569 WeakPolarHBondContact CD-O 3.4Å; R637-A1569 PolarHBondContact NH1-O 2.96Å; L1453-A1569 HydrophobicContact CD2-CB 3.82Å; A1569-G1571 PolarHBondContact O-N 3.28Å; A1569-S1572 WeakPolarHBondContact O-CB 3.5Å; A1569-S1572 PolarHBondContact O-N 2.94Å; A1569-S1572 PolarHBondContact O-OG 3.01Å | ||
| 1570 | M | 83.3 | Confident | 86.4 | Confident | 26 Ų | 26 | 18.7 Ų | 18.7 | 13% | 0.128 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -37.7 | 139.5 | 169.4 | -47.1 | 171.3 | 76 | 0 | 0 | 109.7 | F622 N626 L1453 F1512 V1568 | F622-M1570 WeakPolarHBondContact CB-O 3.5Å; F622-M1570 HydrophobicContact CD1-CB 3.83Å; F622-M1570 WeakPolarHBondContact CD1-O 3.26Å; F622-M1570 HydrophobicContact CD2-CB 3.5Å; F622-M1570 VanDerWaalsContact CD2-CB 3.5Å; F622-M1570 HydrophobicContact CD2-CG 4.04Å; F622-M1570 HydrophobicContact CD2-SD 3.71Å; F622-M1570 HydrophobicContact CE1-CB 3.47Å; F622-M1570 VanDerWaalsContact CE1-CB 3.47Å; F622-M1570 VanDerWaalsContact CE1-O 3.29Å; F622-M1570 WeakPolarHBondContact CE1-O 3.46Å; F622-M1570 HydrophobicContact CE2-CB 3.24Å; F622-M1570 HydrophobicContact CE2-CE 3.56Å; F622-M1570 HydrophobicContact CE2-CG 3.73Å; F622-M1570 HydrophobicContact CE2-SD 3.16Å; F622-M1570 WeakPolarHBondContact CE2-SD 3.39Å; F622-M1570 HydrophobicContact CG-CB 3.9Å; F622-M1570 WeakPolarHBondContact CG-O 3.46Å; F622-M1570 HydrophobicContact CZ-CB 3.22Å; F622-M1570 HydrophobicContact CZ-CE 3.8Å; F622-M1570 HydrophobicContact CZ-CG 4.1Å; F622-M1570 HydrophobicContact CZ-SD 3.91Å; N626-M1570 WeakPolarHBondContact ND2-CA 3.48Å; N626-M1570 WeakPolarHBondContact ND2-CB 3.29Å; N626-M1570 WeakPolarHBondContact ND2-CG 3.06Å; N626-M1570 PolarHBondContact ND2-N 3.19Å; N626-M1570 PolarHBondContact ND2-O 3.1Å; L1453-M1570 WeakPolarHBondContact CD2-O 3.41Å; F1512-M1570 HydrophobicContact CB-CB 3.99Å; F1512-M1570 HydrophobicContact CB-CG 3.24Å; F1512-M1570 HydrophobicContact CD2-CB 4Å; F1512-M1570 HydrophobicContact CD2-CE 3.9Å; F1512-M1570 HydrophobicContact CD2-CG 3.54Å; F1512-M1570 HydrophobicContact CD2-SD 4.48Å; F1512-M1570 HydrophobicContact CE2-CE 4.46Å; F1512-M1570 HydrophobicContact CG-CB 4.03Å; F1512-M1570 HydrophobicContact CG-CG 3.62Å; V1568-M1570 PolarHBondContact O-N 2.84Å |
| 1571 | G | 81.2 | Confident | 86.8 | Confident | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | -5.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 117 | L635 L638 L1453 A1569 | L635-G1571 CarbonylContact C-O 3.6Å; L635-G1571 VanDerWaalsContact C-O 3.29Å; L635-G1571 WeakPolarHBondContact CA-O 3.21Å; L635-G1571 VanDerWaalsContact O-O 3.12Å; L638-G1571 WeakPolarHBondContact CB-O 3.44Å; L638-G1571 VanDerWaalsContact N-C 3.33Å; L638-G1571 VanDerWaalsContact N-CA 3.32Å; L638-G1571 PolarHBondContact N-O 3.17Å; L1453-G1571 VanDerWaalsContact CB-O 3.23Å; L1453-G1571 WeakPolarHBondContact CB-O 3.46Å; A1569-G1571 PolarHBondContact O-N 3.28Å |
| 1572 | S | 85.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | trans | -41.8 | -169.2 | 161.2 | -62.5 | 0 | 0 | 0 | 0 | 121.1 | S633 N634 L635 L636 R637 L638 L1453 A1569 | S633-S1572 WeakPolarHBondContact O-CA 3.37Å; S633-S1572 WeakPolarHBondContact O-CB 3.21Å; S633-S1572 PolarHBondContact O-OG 2.92Å; N634-S1572 VanDerWaalsContact CA-CA 3.48Å; N634-S1572 PolarHBondContact OD1-OG 2.85Å; L635-S1572 VanDerWaalsContact C-C 3.41Å; L635-S1572 CarbonylContact C-O 3.6Å; L635-S1572 WeakPolarHBondContact CA-O 3.44Å; L635-S1572 PolarHBondContact N-O 2.8Å; L636-S1572 CarbonylContact C-O 3.55Å; L636-S1572 WeakPolarHBondContact CA-O 3.33Å; L636-S1572 PolarHBondContact N-O 3.11Å; R637-S1572 WeakPolarHBondContact CA-O 3.45Å; R637-S1572 VanDerWaalsContact CB-CA 3.41Å; R637-S1572 VanDerWaalsContact CB-N 3.26Å; R637-S1572 WeakPolarHBondContact CB-O 3.37Å; R637-S1572 PolarHBondContact N-O 3.17Å; R637-S1572 PolarHBondContact NH1-OG 2.98Å; L638-S1572 PolarHBondContact N-O 2.97Å; L1453-S1572 VanDerWaalsContact CD2-N 3.35Å; A1569-S1572 WeakPolarHBondContact O-CB 3.5Å; A1569-S1572 PolarHBondContact O-N 2.94Å; A1569-S1572 PolarHBondContact O-OG 3.01Å | ||
| 1573 | P | 86 | Confident | 87.4 | Confident | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.054 | C | C | . | . | S | Bend | trans | -112.6 | -46.4 | 163 | -13.2 | 31.8 | 0 | 0 | 0 | 117.2 | I610 V632 S633 L635 L636 R637 V1468 G1575 | I610-P1573 HydrophobicContact CG1-CB 4.39Å; I610-P1573 HydrophobicContact CG1-CG 4.11Å; I610-P1573 HydrophobicContact CG2-CG 4.2Å; V632-P1573 HydrophobicContact CB-CG 4.43Å; V632-P1573 HydrophobicContact CG1-CB 4.16Å; V632-P1573 HydrophobicContact CG1-CG 3.79Å; V632-P1573 WeakPolarHBondContact O-CB 3.41Å; V632-P1573 WeakPolarHBondContact O-CD 3.16Å; V632-P1573 WeakPolarHBondContact O-CG 3.07Å; S633-P1573 WeakPolarHBondContact O-CD 3.2Å; L635-P1573 HydrophobicContact CB-CG 4.49Å; L636-P1573 VanDerWaalsContact CB-CA 3.46Å; L636-P1573 HydrophobicContact CB-CB 3.51Å; L636-P1573 HydrophobicContact CB-CG 4.47Å; L636-P1573 HydrophobicContact CD1-CB 4.46Å; L636-P1573 HydrophobicContact CG-CB 4.14Å; R637-P1573 PolarHBondContact N-O 3.12Å; V1468-P1573 WeakPolarHBondContact CG2-O 3.36Å; P1573-G1575 WeakPolarHBondContact O-CA 3.44Å; P1573-G1575 PolarHBondContact O-N 2.94Å |
| 1574 | L | 88.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -74.5 | 53.9 | 175 | -69.9 | 166 | 0 | 0 | 0 | 109 | S633 R637 A1464 L1467 V1468 L1471 L1546 C1549 L1577 L1578 | S633-L1574 WeakPolarHBondContact OG-CD1 3.41Å; R637-L1574 PolarHBondContact NH2-O 3.19Å; A1464-L1574 HydrophobicContact CB-CD1 3.55Å; A1464-L1574 HydrophobicContact CB-CD2 4.12Å; A1464-L1574 HydrophobicContact CB-CG 3.78Å; L1467-L1574 HydrophobicContact CB-CD2 4.16Å; L1467-L1574 HydrophobicContact CD1-CD1 4.4Å; V1468-L1574 HydrophobicContact CG2-CD2 3.73Å; V1468-L1574 HydrophobicContact CG2-CG 4.42Å; L1471-L1574 HydrophobicContact CD1-CD2 4.4Å; L1546-L1574 HydrophobicContact CD2-CB 4.22Å; L1546-L1574 HydrophobicContact CD2-CD1 3.6Å; L1546-L1574 HydrophobicContact CD2-CD2 3.47Å; L1546-L1574 VanDerWaalsContact CD2-CD2 3.47Å; L1546-L1574 HydrophobicContact CD2-CG 3.94Å; C1549-L1574 HydrophobicContact CB-CD1 4.09Å; L1574-L1577 VanDerWaalsContact C-CB 3.45Å; L1574-L1577 HydrophobicContact CD2-CD2 3.68Å; L1574-L1578 HydrophobicContact CB-CD1 4.34Å; L1574-L1578 WeakPolarHBondContact O-CB 2.97Å; L1574-L1578 VanDerWaalsContact O-CD1 3.28Å; L1574-L1578 WeakPolarHBondContact O-CD1 3.04Å; L1574-L1578 WeakPolarHBondContact O-CG 3.02Å; L1574-L1578 PolarHBondContact O-N 3.07Å |
| 1575 | G | 87.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | -92.7 | -103.5 | -129.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R637 P1573 L1577 L1578 A1579 | R637-G1575 VanDerWaalsContact CZ-O 3.25Å; R637-G1575 PolarHBondContact NE-O 2.77Å; R637-G1575 PolarHBondContact NH2-O 3.39Å; P1573-G1575 WeakPolarHBondContact O-CA 3.44Å; P1573-G1575 PolarHBondContact O-N 2.94Å; G1575-L1577 VanDerWaalsContact CA-N 3.31Å; G1575-L1577 VanDerWaalsContact N-CB 3.33Å; G1575-L1577 PolarHBondContact O-N 2.99Å; G1575-L1578 PolarHBondContact O-N 2.98Å; G1575-L1578 VanDerWaalsContact O-N 3.14Å; G1575-A1579 PolarHBondContact O-N 3.17Å | |
| 1576 | P | 89.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -65.1 | 10.9 | 132.9 | 4.1 | 20.4 | 0 | 0 | 0 | 111.9 | R637 K640 F1512 A1579 E1580 M1604 | R637-P1576 VanDerWaalsContact CB-CD 3.4Å; R637-P1576 HydrophobicContact CB-CG 4.44Å; R637-P1576 HydrophobicContact CG-CG 4.07Å; K640-P1576 HydrophobicContact CB-CB 4.11Å; K640-P1576 VanDerWaalsContact CB-CD 3.48Å; K640-P1576 HydrophobicContact CB-CG 3.47Å; K640-P1576 VanDerWaalsContact CB-CG 3.47Å; K640-P1576 VanDerWaalsContact CD-C 3.41Å; K640-P1576 HydrophobicContact CD-CB 4.12Å; K640-P1576 HydrophobicContact CD-CG 4.22Å; K640-P1576 VanDerWaalsContact NZ-C 3.31Å; K640-P1576 PolarHBondContact NZ-O 2.86Å; F1512-P1576 HydrophobicContact CE1-CB 4.29Å; F1512-P1576 HydrophobicContact CE1-CG 3.73Å; F1512-P1576 HydrophobicContact CZ-CG 3.92Å; P1576-A1579 VanDerWaalsContact CA-N 3.28Å; P1576-A1579 HydrophobicContact CB-CB 4Å; P1576-E1580 HydrophobicContact CB-CB 4.42Å; P1576-E1580 HydrophobicContact CB-CG 3.77Å; P1576-E1580 WeakPolarHBondContact O-CA 3.24Å; P1576-E1580 WeakPolarHBondContact O-CB 3Å; P1576-E1580 WeakPolarHBondContact O-CG 3.18Å; P1576-E1580 PolarHBondContact O-N 2.93Å; P1576-M1604 HydrophobicContact CB-CE 3.04Å; P1576-M1604 HydrophobicContact CB-SD 3.4Å; P1576-M1604 WeakPolarHBondContact CB-SD 3.28Å; P1576-M1604 HydrophobicContact CG-CE 3.42Å; P1576-M1604 VanDerWaalsContact CG-CE 3.42Å; P1576-M1604 HydrophobicContact CG-SD 3.01Å; P1576-M1604 WeakPolarHBondContact CG-SD 3.2Å |
| 1577 | L | 90.1 | Very high | 88.3 | Confident | 2 Ų | 2 | 5.1 Ų | 5.1 | 1% | 0.01 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -57 | -55.2 | 149.3 | -161.7 | 79.8 | 0 | 0 | 0 | 106.3 | K640 V1468 L1471 L1524 L1574 G1575 V1581 | K640-L1577 HydrophobicContact CD-CB 4.49Å; V1468-L1577 HydrophobicContact CG1-CD1 4.48Å; V1468-L1577 HydrophobicContact CG2-CD2 4.3Å; L1471-L1577 HydrophobicContact CB-CD1 4.21Å; L1471-L1577 HydrophobicContact CB-CD2 3.83Å; L1471-L1577 HydrophobicContact CD1-CD2 3.44Å; L1471-L1577 VanDerWaalsContact CD1-CD2 3.44Å; L1471-L1577 HydrophobicContact CG-CD2 4.24Å; L1524-L1577 HydrophobicContact CD2-CD2 4.36Å; L1574-L1577 VanDerWaalsContact C-CB 3.45Å; L1574-L1577 HydrophobicContact CD2-CD2 3.68Å; G1575-L1577 VanDerWaalsContact CA-N 3.31Å; G1575-L1577 VanDerWaalsContact N-CB 3.33Å; G1575-L1577 PolarHBondContact O-N 2.99Å; L1577-V1581 WeakPolarHBondContact O-CB 3.44Å; L1577-V1581 WeakPolarHBondContact O-CG2 2.96Å; L1577-V1581 PolarHBondContact O-N 2.95Å |
| 1578 | L | 90.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -71.8 | -49.7 | 173.1 | -61.4 | 170.3 | 0 | 0 | 0 | 112.3 | L1517 T1520 V1521 L1524 T1550 L1574 G1575 E1580 V1581 F1582 | L1517-L1578 HydrophobicContact CD1-CD1 3.63Å; T1520-L1578 HydrophobicContact CG2-CB 3.71Å; T1520-L1578 HydrophobicContact CG2-CD2 4.03Å; T1520-L1578 HydrophobicContact CG2-CG 4.47Å; T1520-L1578 WeakPolarHBondContact CG2-O 3.28Å; V1521-L1578 HydrophobicContact CB-CD2 4.49Å; V1521-L1578 HydrophobicContact CG2-CD1 3.88Å; V1521-L1578 HydrophobicContact CG2-CD2 3.64Å; V1521-L1578 HydrophobicContact CG2-CG 4.43Å; L1524-L1578 HydrophobicContact CD2-CD2 4.17Å; T1550-L1578 HydrophobicContact CG2-CD1 3.82Å; L1574-L1578 HydrophobicContact CB-CD1 4.34Å; L1574-L1578 WeakPolarHBondContact O-CB 2.97Å; L1574-L1578 VanDerWaalsContact O-CD1 3.28Å; L1574-L1578 WeakPolarHBondContact O-CD1 3.04Å; L1574-L1578 WeakPolarHBondContact O-CG 3.02Å; L1574-L1578 PolarHBondContact O-N 3.07Å; G1575-L1578 PolarHBondContact O-N 2.98Å; G1575-L1578 VanDerWaalsContact O-N 3.14Å; L1578-E1580 PolarHBondContact O-N 3.45Å; L1578-V1581 CarbonylContact O-C 3.38Å; L1578-V1581 WeakPolarHBondContact O-CA 3.05Å; L1578-V1581 WeakPolarHBondContact O-CB 3.37Å; L1578-V1581 PolarHBondContact O-N 3.32Å; L1578-V1581 VanDerWaalsContact O-N 3.09Å; L1578-F1582 WeakPolarHBondContact O-CB 3.48Å; L1578-F1582 PolarHBondContact O-N 2.93Å |
| 1579 | A | 89.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -66 | -30.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 117 | L1511 F1512 V1515 G1575 P1576 V1581 M1583 | L1511-A1579 HydrophobicContact CD1-CB 4.45Å; L1511-A1579 HydrophobicContact CD2-CB 4.03Å; L1511-A1579 HydrophobicContact CG-CB 4.15Å; F1512-A1579 HydrophobicContact CD1-CB 4.05Å; F1512-A1579 HydrophobicContact CE1-CB 3.79Å; V1515-A1579 HydrophobicContact CG2-CB 3.79Å; G1575-A1579 PolarHBondContact O-N 3.17Å; P1576-A1579 VanDerWaalsContact CA-N 3.28Å; P1576-A1579 HydrophobicContact CB-CB 4Å; A1579-V1581 VanDerWaalsContact C-N 3.34Å; A1579-M1583 VanDerWaalsContact O-CG 3.3Å; A1579-M1583 WeakPolarHBondContact O-CG 2.92Å; A1579-M1583 PolarHBondContact O-N 2.9Å; A1579-M1583 VanDerWaalsContact O-N 3.1Å |
| 1580 | E | 90.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -70.7 | -35 | 168.2 | -72.2 | 163.4 | -129.3 | 0 | 0 | 110.6 | K640 K643 E644 R1475 S1482 P1576 L1578 S1584 R1602 M1604 | K640-E1580 VanDerWaalsContact CD-OE1 3.24Å; K640-E1580 WeakPolarHBondContact CD-OE1 3.25Å; K640-E1580 WeakPolarHBondContact CE-OE1 3.42Å; K640-E1580 WeakPolarHBondContact CG-OE1 3.28Å; K640-E1580 IonicContact NZ-OE1 2.64Å; K640-E1580 PolarHBondContact NZ-OE1 3.28Å; K640-E1580 IonicContact NZ-OE2 2.98Å; K640-E1580 PolarHBondContact NZ-OE2 2.96Å; K643-E1580 IonicContact NZ-OE2 2.96Å; E644-E1580 HydrophobicContact CG-CG 4.26Å; E644-E1580 VanDerWaalsContact OE2-CG 3.27Å; E644-E1580 WeakPolarHBondContact OE2-CG 3.09Å; R1475-E1580 WeakPolarHBondContact CD-OE2 3.49Å; R1475-E1580 IonicContact CZ-OE2 3.58Å; R1475-E1580 IonicContact NE-OE2 3.68Å; R1475-E1580 VanDerWaalsContact NH1-CD 3.34Å; R1475-E1580 IonicContact NH1-OE1 2.92Å; R1475-E1580 PolarHBondContact NH1-OE1 3.49Å; R1475-E1580 IonicContact NH1-OE2 2.67Å; R1475-E1580 PolarHBondContact NH1-OE2 2.81Å; S1482-E1580 PolarHBondContact OG-OE2 2.7Å; P1576-E1580 HydrophobicContact CB-CB 4.42Å; P1576-E1580 HydrophobicContact CB-CG 3.77Å; P1576-E1580 WeakPolarHBondContact O-CA 3.24Å; P1576-E1580 WeakPolarHBondContact O-CB 3Å; P1576-E1580 WeakPolarHBondContact O-CG 3.18Å; P1576-E1580 PolarHBondContact O-N 2.93Å; L1578-E1580 PolarHBondContact O-N 3.45Å; E1580-S1584 WeakPolarHBondContact O-CB 3.38Å; E1580-S1584 PolarHBondContact O-N 2.92Å; E1580-S1584 PolarHBondContact O-OG 3.23Å; E1580-R1602 PolarHBondContact O-NH2 3.37Å; E1580-M1604 HydrophobicContact CG-CE 3.37Å |
| 1581 | V | 91.5 | Very high | 88.4 | Confident | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.012 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -70.2 | -39.5 | 178.2 | 164.1 | 0 | 0 | 0 | 0 | 111.3 | L1478 T1520 F1523 L1524 L1577 L1578 A1579 S1584 Y1585 | L1478-V1581 HydrophobicContact CD2-CG1 4.26Å; L1478-V1581 HydrophobicContact CD2-CG2 3.75Å; T1520-V1581 HydrophobicContact CG2-CG1 4.35Å; F1523-V1581 HydrophobicContact CD1-CG1 3.61Å; F1523-V1581 HydrophobicContact CE1-CG1 3.98Å; F1523-V1581 WeakPolarHBondContact CE1-O 3.43Å; L1524-V1581 HydrophobicContact CB-CG1 4.02Å; L1524-V1581 HydrophobicContact CD1-CG1 4.39Å; L1524-V1581 HydrophobicContact CD1-CG2 4.03Å; L1577-V1581 WeakPolarHBondContact O-CB 3.44Å; L1577-V1581 WeakPolarHBondContact O-CG2 2.96Å; L1577-V1581 PolarHBondContact O-N 2.95Å; L1578-V1581 CarbonylContact O-C 3.38Å; L1578-V1581 WeakPolarHBondContact O-CA 3.05Å; L1578-V1581 WeakPolarHBondContact O-CB 3.37Å; L1578-V1581 PolarHBondContact O-N 3.32Å; L1578-V1581 VanDerWaalsContact O-N 3.09Å; A1579-V1581 VanDerWaalsContact C-N 3.34Å; V1581-S1584 CarbonylContact O-C 3.29Å; V1581-S1584 WeakPolarHBondContact O-CA 3.17Å; V1581-S1584 PolarHBondContact O-N 2.92Å; V1581-S1584 VanDerWaalsContact O-N 3.13Å; V1581-Y1585 PolarHBondContact O-N 3.39Å |
| 1582 | F | 90.4 | Very high | 88.6 | Confident | 4 Ų | 4 | 18.5 Ų | 18.5 | 2% | 0.018 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.7 | -47.2 | 173.2 | 177.8 | -124.1 | 0 | 0 | 0 | 110.9 | L1511 V1515 P1516 T1520 L1578 S1584 Y1585 V1586 Q1628 I1631 | L1511-F1582 HydrophobicContact CD1-CD1 4.14Å; L1511-F1582 HydrophobicContact CD1-CE1 4.49Å; V1515-F1582 HydrophobicContact CB-CD1 4.19Å; V1515-F1582 HydrophobicContact CG1-CB 3.84Å; V1515-F1582 HydrophobicContact CG1-CD1 3.93Å; V1515-F1582 HydrophobicContact CG1-CD2 4.41Å; V1515-F1582 HydrophobicContact CG1-CG 3.8Å; V1515-F1582 HydrophobicContact CG2-CD1 3.83Å; V1515-F1582 HydrophobicContact CG2-CE1 4.41Å; V1515-F1582 HydrophobicContact CG2-CG 4.46Å; P1516-F1582 HydrophobicContact CG-CD2 4.04Å; P1516-F1582 HydrophobicContact CG-CE2 3.38Å; P1516-F1582 HydrophobicContact CG-CZ 3.72Å; T1520-F1582 HydrophobicContact CG2-CB 3.7Å; T1520-F1582 WeakPolarHBondContact OG1-CD2 3.18Å; L1578-F1582 WeakPolarHBondContact O-CB 3.48Å; L1578-F1582 PolarHBondContact O-N 2.93Å; F1582-S1584 PolarHBondContact O-N 2.93Å; F1582-Y1585 HydrophobicContact CD2-CD1 4.42Å; F1582-Y1585 HydrophobicContact CE2-CD1 4.43Å; F1582-Y1585 WeakPolarHBondContact O-CB 3.35Å; F1582-Y1585 PolarHBondContact O-N 3.45Å; F1582-Y1585 VanDerWaalsContact O-N 3.14Å; F1582-V1586 WeakPolarHBondContact O-CG2 3.43Å; F1582-V1586 PolarHBondContact O-N 2.78Å; F1582-Q1628 HydrophobicContact CZ-CB 4.27Å; F1582-Q1628 HydrophobicContact CZ-CG 4.19Å; F1582-I1631 HydrophobicContact CE1-CD1 3.59Å; F1582-I1631 HydrophobicContact CE1-CG1 3.75Å; F1582-I1631 HydrophobicContact CZ-CD1 3.51Å; F1582-I1631 HydrophobicContact CZ-CG1 3.78Å |
| 1583 | M | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.9 | -33.3 | 172.3 | -68 | -57.8 | -62.9 | 0 | 0 | 111.8 | V1508 L1511 A1579 V1586 E1587 R1602 I1607 M1633 | V1508-M1583 HydrophobicContact CG2-CE 3.72Å; V1508-M1583 HydrophobicContact CG2-SD 3.9Å; L1511-M1583 HydrophobicContact CD1-CG 4.18Å; L1511-M1583 HydrophobicContact CD1-SD 4Å; L1511-M1583 HydrophobicContact CD2-CG 4.37Å; A1579-M1583 VanDerWaalsContact O-CG 3.3Å; A1579-M1583 WeakPolarHBondContact O-CG 2.92Å; A1579-M1583 PolarHBondContact O-N 2.9Å; A1579-M1583 VanDerWaalsContact O-N 3.1Å; M1583-V1586 CarbonylContact O-C 3.58Å; M1583-V1586 WeakPolarHBondContact O-CB 3.41Å; M1583-V1586 PolarHBondContact O-N 2.92Å; M1583-E1587 WeakPolarHBondContact O-CB 3.34Å; M1583-E1587 WeakPolarHBondContact O-CG 3.34Å; M1583-E1587 PolarHBondContact O-N 3.45Å; M1583-R1602 VanDerWaalsContact CB-NE 3.34Å; M1583-I1607 HydrophobicContact CE-CD1 3.87Å; M1583-M1633 HydrophobicContact CE-CE 3.76Å |
| 1584 | S | 88.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -76.3 | -17.9 | 173.7 | -61.9 | 0 | 0 | 0 | 0 | 115.1 | C1479 E1580 V1581 F1582 E1587 N1588 R1602 | C1479-S1584 WeakPolarHBondContact CA-OG 3.22Å; C1479-S1584 PolarHBondContact SG-OG 2.92Å; C1479-S1584 VanDerWaalsContact SG-OG 3.36Å; E1580-S1584 WeakPolarHBondContact O-CB 3.38Å; E1580-S1584 PolarHBondContact O-N 2.92Å; E1580-S1584 PolarHBondContact O-OG 3.23Å; V1581-S1584 CarbonylContact O-C 3.29Å; V1581-S1584 WeakPolarHBondContact O-CA 3.17Å; V1581-S1584 PolarHBondContact O-N 2.92Å; V1581-S1584 VanDerWaalsContact O-N 3.13Å; F1582-S1584 PolarHBondContact O-N 2.93Å; S1584-E1587 WeakPolarHBondContact CA-OE2 2.71Å; S1584-E1587 WeakPolarHBondContact CB-OE2 3.33Å; S1584-E1587 PolarHBondContact N-OE2 3.16Å; S1584-E1587 PolarHBondContact OG-OE2 2.97Å; S1584-N1588 VanDerWaalsContact O-CB 3.3Å; S1584-N1588 WeakPolarHBondContact O-CB 3.19Å; S1584-N1588 PolarHBondContact O-N 3.37Å; S1584-N1588 VanDerWaalsContact O-N 3.14Å; S1584-N1588 PolarHBondContact O-ND2 2.78Å; S1584-R1602 PolarHBondContact OG-NH2 2.94Å; S1584-R1602 VanDerWaalsContact OG-NH2 3.1Å |
| 1585 | Y | 90.2 | Very high | 88.6 | Confident | 66 Ų | 66 | 23 Ų | 23 | 26% | 0.259 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -67 | -49.5 | 162.2 | 163.4 | -97.4 | 0 | 0 | 0 | 109.3 | F1523 V1581 F1582 E1587 N1588 M1589 V1627 | F1523-Y1585 HydrophobicContact CB-CD2 4.5Å; F1523-Y1585 AromaticContact CD2-CD2 3.78Å; F1523-Y1585 HydrophobicContact CD2-CD2 3.78Å; F1523-Y1585 HydrophobicContact CE2-CD2 4.08Å; F1523-Y1585 HydrophobicContact CG-CD2 4.03Å; F1523-Y1585 HydrophobicContact CG-CG 4.46Å; V1581-Y1585 PolarHBondContact O-N 3.39Å; F1582-Y1585 HydrophobicContact CD2-CD1 4.42Å; F1582-Y1585 HydrophobicContact CE2-CD1 4.43Å; F1582-Y1585 WeakPolarHBondContact O-CB 3.35Å; F1582-Y1585 PolarHBondContact O-N 3.45Å; F1582-Y1585 VanDerWaalsContact O-N 3.14Å; Y1585-E1587 PolarHBondContact O-N 3.24Å; Y1585-N1588 PolarHBondContact O-N 3.4Å; Y1585-M1589 HydrophobicContact CE2-CG 4.24Å; Y1585-M1589 WeakPolarHBondContact O-CG 3.39Å; Y1585-M1589 PolarHBondContact O-N 2.99Å; Y1585-V1627 HydrophobicContact CD1-CG1 4.26Å; Y1585-V1627 HydrophobicContact CE1-CG1 3.64Å |
| 1586 | V | 88.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.1 | -44.6 | 176.7 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | F1582 M1583 N1588 M1589 T1590 L1624 V1627 I1631 M1633 | F1582-V1586 WeakPolarHBondContact O-CG2 3.43Å; F1582-V1586 PolarHBondContact O-N 2.78Å; M1583-V1586 CarbonylContact O-C 3.58Å; M1583-V1586 WeakPolarHBondContact O-CB 3.41Å; M1583-V1586 PolarHBondContact O-N 2.92Å; V1586-N1588 VanDerWaalsContact C-N 3.31Å; V1586-N1588 PolarHBondContact O-N 3.27Å; V1586-M1589 PolarHBondContact O-N 2.75Å; V1586-T1590 PolarHBondContact O-N 3.3Å; V1586-T1590 PolarHBondContact O-OG1 3.19Å; V1586-L1624 HydrophobicContact CG1-CD2 3.59Å; V1586-V1627 HydrophobicContact CG1-CB 4.31Å; V1586-V1627 HydrophobicContact CG1-CG2 4.13Å; V1586-V1627 HydrophobicContact CG2-CB 4.29Å; V1586-V1627 HydrophobicContact CG2-CG1 4Å; V1586-I1631 HydrophobicContact CG2-CD1 3.64Å; V1586-M1633 HydrophobicContact CG1-CE 4.14Å |
| 1587 | E | 91.8 | Very high | 88.5 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.8 | -35.2 | 175.4 | -68 | 162.5 | 144.8 | 0 | 0 | 112.3 | F1481 M1583 S1584 Y1585 T1590 S1591 I1594 Y1600 R1602 | F1481-E1587 WeakPolarHBondContact CB-OE1 3.35Å; F1481-E1587 HydrophobicContact CD2-CB 3.91Å; F1481-E1587 HydrophobicContact CD2-CG 4.09Å; F1481-E1587 HydrophobicContact CE2-CB 4.14Å; M1583-E1587 WeakPolarHBondContact O-CB 3.34Å; M1583-E1587 WeakPolarHBondContact O-CG 3.34Å; M1583-E1587 PolarHBondContact O-N 3.45Å; S1584-E1587 WeakPolarHBondContact CA-OE2 2.71Å; S1584-E1587 WeakPolarHBondContact CB-OE2 3.33Å; S1584-E1587 PolarHBondContact N-OE2 3.16Å; S1584-E1587 PolarHBondContact OG-OE2 2.97Å; Y1585-E1587 PolarHBondContact O-N 3.24Å; E1587-T1590 CarbonylContact O-C 3.6Å; E1587-T1590 PolarHBondContact O-N 3.35Å; E1587-T1590 PolarHBondContact O-OG1 3.49Å; E1587-S1591 PolarHBondContact O-N 2.87Å; E1587-S1591 VanDerWaalsContact O-N 3.16Å; E1587-I1594 HydrophobicContact CB-CD1 4.26Å; E1587-I1594 HydrophobicContact CG-CD1 4.46Å; E1587-Y1600 HydrophobicContact CG-CE1 4.01Å; E1587-Y1600 WeakPolarHBondContact OE1-CE1 3.39Å; E1587-R1602 VanDerWaalsContact CD-NE 3.27Å; E1587-R1602 IonicContact OE1-CZ 3.08Å; E1587-R1602 IonicContact OE1-NE 3.84Å; E1587-R1602 PolarHBondContact OE1-NE 2.9Å; E1587-R1602 IonicContact OE1-NH2 3.73Å; E1587-R1602 PolarHBondContact OE1-NH2 2.81Å; E1587-R1602 IonicContact OE2-CZ 3.76Å; E1587-R1602 IonicContact OE2-NE 2.73Å; E1587-R1602 PolarHBondContact OE2-NE 3.4Å; E1587-R1602 IonicContact OE2-NH2 3.56Å; E1587-R1602 PolarHBondContact OE2-NH2 2.62Å |
| 1588 | N | 86.9 | Confident | 88.4 | Confident | 49 Ų | 49 | 31.2 Ų | 31.2 | 26% | 0.262 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -79 | -23.8 | 177.4 | -74.8 | -15.5 | 0 | 0 | 0 | 112.8 | S1584 Y1585 V1586 T1590 | S1584-N1588 VanDerWaalsContact O-CB 3.3Å; S1584-N1588 WeakPolarHBondContact O-CB 3.19Å; S1584-N1588 PolarHBondContact O-N 3.37Å; S1584-N1588 VanDerWaalsContact O-N 3.14Å; S1584-N1588 PolarHBondContact O-ND2 2.78Å; Y1585-N1588 PolarHBondContact O-N 3.4Å; V1586-N1588 VanDerWaalsContact C-N 3.31Å; V1586-N1588 PolarHBondContact O-N 3.27Å; N1588-T1590 PolarHBondContact O-N 3.16Å |
| 1589 | M | 87.4 | Confident | 88.3 | Confident | 103 Ų | 103 | 31.7 Ų | 31.7 | 51% | 0.507 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -1.4 | 171.1 | -65.8 | -64.5 | 97.3 | 0 | 0 | 113 | Y1585 V1586 V1627 | Y1585-M1589 HydrophobicContact CE2-CG 4.24Å; Y1585-M1589 WeakPolarHBondContact O-CG 3.39Å; Y1585-M1589 PolarHBondContact O-N 2.99Å; V1586-M1589 PolarHBondContact O-N 2.75Å; M1589-V1627 HydrophobicContact CB-CG1 4.3Å; M1589-V1627 HydrophobicContact CB-CG2 4.23Å; M1589-V1627 HydrophobicContact CG-CG1 4.29Å |
| 1590 | T | 85.9 | Confident | 88.4 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.7 | 19.1 | -175.5 | 54.5 | 0 | 0 | 0 | 0 | 112.8 | V1586 E1587 N1588 D1592 I1594 K1623 L1624 V1627 | V1586-T1590 PolarHBondContact O-N 3.3Å; V1586-T1590 PolarHBondContact O-OG1 3.19Å; E1587-T1590 CarbonylContact O-C 3.6Å; E1587-T1590 PolarHBondContact O-N 3.35Å; E1587-T1590 PolarHBondContact O-OG1 3.49Å; N1588-T1590 PolarHBondContact O-N 3.16Å; T1590-D1592 PolarHBondContact O-N 3.09Å; T1590-I1594 WeakPolarHBondContact O-CG1 3.49Å; T1590-I1594 PolarHBondContact O-N 3.36Å; T1590-I1594 WeakPolarHBondContact OG1-CD1 3.05Å; T1590-K1623 HydrophobicContact CG2-CB 4.5Å; T1590-K1623 HydrophobicContact CG2-CG 3.82Å; T1590-L1624 HydrophobicContact CG2-CD2 3.87Å; T1590-L1624 HydrophobicContact CG2-CG 4.31Å; T1590-L1624 VanDerWaalsContact OG1-CD2 3.32Å; T1590-L1624 WeakPolarHBondContact OG1-CD2 3.11Å; T1590-V1627 HydrophobicContact CG2-CG2 4.22Å |
| 1591 | S | 84.5 | Confident | 88.5 | Confident | 40 Ų | 40 | 34.1 Ų | 34.1 | 28% | 0.28 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -54.4 | -31.2 | -171.6 | 43.5 | 0 | 0 | 0 | 0 | 114.7 | E1587 I1594 G1595 | E1587-S1591 PolarHBondContact O-N 2.87Å; E1587-S1591 VanDerWaalsContact O-N 3.16Å; S1591-I1594 PolarHBondContact O-N 3.04Å; S1591-G1595 PolarHBondContact O-N 2.92Å |
| 1592 | D | 84.9 | Confident | 88.5 | Confident | 119 Ų | 119 | 34 Ų | 34 | 64% | 0.636 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -81 | -50.6 | -163.8 | -41.5 | -26.4 | 0 | 0 | 0 | 109.3 | T1590 I1594 G1595 E1596 | T1590-D1592 PolarHBondContact O-N 3.09Å; D1592-I1594 PolarHBondContact O-N 2.75Å; D1592-G1595 WeakPolarHBondContact O-CA 3.05Å; D1592-G1595 PolarHBondContact O-N 2.76Å; D1592-E1596 PolarHBondContact O-N 2.79Å |
| 1593 | L | 84.5 | Confident | 88.4 | Confident | 24 Ų | 24 | 33.8 Ų | 33.8 | 13% | 0.126 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.1 | -27.8 | 169.8 | -70 | 87.1 | 0 | 0 | 0 | 112.2 | G1595 R1619 L1620 | L1593-G1595 VanDerWaalsContact C-N 3.33Å; L1593-R1619 HydrophobicContact CD2-CG 3.85Å; L1593-L1620 HydrophobicContact CB-CD1 3.92Å; L1593-L1620 HydrophobicContact CD2-CB 4.43Å |
| 1594 | I | 90.7 | Very high | 88.1 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.8 | -34.7 | 171.5 | -72.8 | 173.5 | 0 | 0 | 0 | 110.9 | F1481 E1587 T1590 S1591 D1592 T1597 Y1600 L1620 | F1481-I1594 HydrophobicContact CE1-CG2 3.87Å; F1481-I1594 HydrophobicContact CE2-CG2 4.06Å; F1481-I1594 HydrophobicContact CZ-CG2 3.51Å; E1587-I1594 HydrophobicContact CB-CD1 4.26Å; E1587-I1594 HydrophobicContact CG-CD1 4.46Å; T1590-I1594 WeakPolarHBondContact O-CG1 3.49Å; T1590-I1594 PolarHBondContact O-N 3.36Å; T1590-I1594 WeakPolarHBondContact OG1-CD1 3.05Å; S1591-I1594 PolarHBondContact O-N 3.04Å; D1592-I1594 PolarHBondContact O-N 2.75Å; I1594-T1597 WeakPolarHBondContact O-CB 3.37Å; I1594-T1597 PolarHBondContact O-N 2.82Å; I1594-T1597 PolarHBondContact O-OG1 3.04Å; I1594-Y1600 HydrophobicContact CD1-CD1 4.47Å; I1594-Y1600 HydrophobicContact CD1-CD2 4.29Å; I1594-Y1600 HydrophobicContact CD1-CE1 4.15Å; I1594-Y1600 HydrophobicContact CD1-CE2 3.92Å; I1594-Y1600 HydrophobicContact CG1-CD2 3.92Å; I1594-Y1600 HydrophobicContact CG1-CE2 3.93Å; I1594-Y1600 HydrophobicContact CG1-CG 4.33Å; I1594-Y1600 HydrophobicContact CG2-CD1 3.96Å; I1594-Y1600 HydrophobicContact CG2-CD2 4.07Å; I1594-Y1600 HydrophobicContact CG2-CG 3.65Å; I1594-L1620 HydrophobicContact CG1-CD1 4.05Å |
| 1595 | G | 84.6 | Confident | 87.7 | Confident | 64 Ų | 64 | 34.4 Ų | 34.4 | 66% | 0.66 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -68.7 | -28.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1591 D1592 L1593 T1597 | S1591-G1595 PolarHBondContact O-N 2.92Å; D1592-G1595 WeakPolarHBondContact O-CA 3.05Å; D1592-G1595 PolarHBondContact O-N 2.76Å; L1593-G1595 VanDerWaalsContact C-N 3.33Å; G1595-T1597 PolarHBondContact O-N 3.15Å |
| 1596 | E | 88.6 | Confident | 87.5 | Confident | 106 Ų | 106 | 32.2 Ų | 32.2 | 50% | 0.495 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -14.3 | 171.8 | -67 | 172.4 | -137.6 | 0 | 0 | 112.9 | D1592 F1615 | D1592-E1596 PolarHBondContact O-N 2.79Å; E1596-F1615 HydrophobicContact CB-CD2 4.01Å; E1596-F1615 HydrophobicContact CB-CE2 3.53Å; E1596-F1615 HydrophobicContact CB-CZ 4.48Å; E1596-F1615 HydrophobicContact CG-CE2 4.46Å; E1596-F1615 WeakPolarHBondContact OE2-CE2 3.23Å |
| 1597 | T | 87.9 | Confident | 87.7 | Confident | 18 Ų | 18 | 32.2 Ų | 32.2 | 11% | 0.11 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -86.7 | 147.4 | -179.4 | 77.4 | 0 | 0 | 0 | 0 | 112.8 | I1594 G1595 Y1600 I1609 C1611 F1615 L1620 | I1594-T1597 WeakPolarHBondContact O-CB 3.37Å; I1594-T1597 PolarHBondContact O-N 2.82Å; I1594-T1597 PolarHBondContact O-OG1 3.04Å; G1595-T1597 PolarHBondContact O-N 3.15Å; T1597-Y1600 PolarHBondContact OG1-N 3.36Å; T1597-I1609 HydrophobicContact CG2-CG2 3.72Å; T1597-C1611 HydrophobicContact CG2-CB 4.37Å; T1597-F1615 HydrophobicContact CG2-CE1 3.92Å; T1597-F1615 HydrophobicContact CG2-CE2 4.49Å; T1597-F1615 HydrophobicContact CG2-CZ 3.87Å; T1597-L1620 HydrophobicContact CG2-CD2 4.34Å |
| 1598 | T | 86.6 | Confident | 87.7 | Confident | 52 Ų | 52 | 32.1 Ų | 32.1 | 32% | 0.319 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -68.1 | -36.2 | 175.3 | -71.3 | 0 | 0 | 0 | 0 | 112.9 | I1496 K1501 I1610 | I1496-T1598 HydrophobicContact CG2-CG2 4.48Å; K1501-T1598 HydrophobicContact CD-CG2 3.82Å; K1501-T1598 WeakPolarHBondContact CD-OG1 3.17Å; K1501-T1598 PolarHBondContact NZ-OG1 3.31Å; T1598-I1610 CarbonylContact C-O 3.38Å; T1598-I1610 WeakPolarHBondContact CA-O 3.17Å; T1598-I1610 WeakPolarHBondContact CB-O 3.3Å; T1598-I1610 HydrophobicContact CG2-CG2 4.29Å; T1598-I1610 PolarHBondContact N-O 2.9Å |
| 1599 | L | 89.9 | Confident | 87.9 | Confident | 10 Ų | 10 | 29.8 Ų | 29.8 | 5% | 0.052 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 103.4 | 175.4 | -178.2 | 75.9 | 0 | 0 | 0 | 110.8 | F1492 L1493 I1496 R1601 I1609 I1610 | F1492-L1599 HydrophobicContact CB-CD1 4.32Å; L1493-L1599 HydrophobicContact CD2-CD2 4.07Å; L1493-L1599 HydrophobicContact CG-CD2 4.32Å; I1496-L1599 HydrophobicContact CD1-CB 4.45Å; I1496-L1599 HydrophobicContact CD1-CD2 4.29Å; L1599-R1601 HydrophobicContact CD1-CG 3.87Å; L1599-R1601 HydrophobicContact CG-CG 4.11Å; L1599-I1609 CarbonylContact O-C 3.59Å; L1599-I1609 WeakPolarHBondContact O-CA 3.37Å; L1599-I1610 HydrophobicContact CB-CB 3.98Å; L1599-I1610 HydrophobicContact CB-CD1 4.09Å; L1599-I1610 HydrophobicContact CB-CG1 3.93Å; L1599-I1610 HydrophobicContact CD2-CD1 3.77Å; L1599-I1610 HydrophobicContact CD2-CG1 4.24Å; L1599-I1610 PolarHBondContact N-O 2.91Å; L1599-I1610 PolarHBondContact O-N 3.4Å |
| 1600 | Y | 91.2 | Very high | 88.1 | Confident | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 126 | 163.7 | -174.1 | -80.8 | 0 | 0 | 0 | 110.5 | F1481 E1587 I1594 T1597 I1607 I1609 | F1481-Y1600 HydrophobicContact CB-CD1 3.97Å; F1481-Y1600 HydrophobicContact CB-CE1 4.1Å; F1481-Y1600 AromaticContact CD1-CD1 3.9Å; F1481-Y1600 HydrophobicContact CD1-CD1 3.9Å; F1481-Y1600 HydrophobicContact CD2-CD1 4.26Å; F1481-Y1600 HydrophobicContact CD2-CE1 4.31Å; F1481-Y1600 HydrophobicContact CE1-CD1 4.42Å; F1481-Y1600 AromaticContact CG-CD1 3.8Å; F1481-Y1600 HydrophobicContact CG-CD1 3.8Å; F1481-Y1600 HydrophobicContact CG-CE1 4.15Å; E1587-Y1600 HydrophobicContact CG-CE1 4.01Å; E1587-Y1600 WeakPolarHBondContact OE1-CE1 3.39Å; I1594-Y1600 HydrophobicContact CD1-CD1 4.47Å; I1594-Y1600 HydrophobicContact CD1-CD2 4.29Å; I1594-Y1600 HydrophobicContact CD1-CE1 4.15Å; I1594-Y1600 HydrophobicContact CD1-CE2 3.92Å; I1594-Y1600 HydrophobicContact CG1-CD2 3.92Å; I1594-Y1600 HydrophobicContact CG1-CE2 3.93Å; I1594-Y1600 HydrophobicContact CG1-CG 4.33Å; I1594-Y1600 HydrophobicContact CG2-CD1 3.96Å; I1594-Y1600 HydrophobicContact CG2-CD2 4.07Å; I1594-Y1600 HydrophobicContact CG2-CG 3.65Å; T1597-Y1600 PolarHBondContact OG1-N 3.36Å; Y1600-I1607 HydrophobicContact CD2-CG2 4.21Å; Y1600-I1607 HydrophobicContact CE1-CG2 4.27Å; Y1600-I1607 HydrophobicContact CE2-CG2 3.54Å; Y1600-I1609 HydrophobicContact CD2-CD1 3.89Å; Y1600-I1609 HydrophobicContact CD2-CG1 3.79Å; Y1600-I1609 HydrophobicContact CE2-CD1 3.91Å; Y1600-I1609 HydrophobicContact CE2-CG1 4.11Å |
| 1601 | R | 92.8 | Very high | 88.2 | Confident | 46 Ų | 46 | 24.8 Ų | 24.8 | 17% | 0.174 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 141 | 173.8 | -68.8 | -62.6 | -174.8 | -86.4 | 1.1 | 111.5 | L1483 L1489 F1492 L1599 L1608 | L1483-R1601 HydrophobicContact CD1-CB 3.83Å; L1483-R1601 HydrophobicContact CD2-CB 3.83Å; L1483-R1601 HydrophobicContact CD2-CG 3.83Å; L1483-R1601 HydrophobicContact CG-CB 3.94Å; L1483-R1601 HydrophobicContact CG-CG 4.49Å; L1489-R1601 HydrophobicContact CD1-CB 4.3Å; L1489-R1601 HydrophobicContact CD1-CG 4.38Å; F1492-R1601 VanDerWaalsContact CE1-NH2 3.29Å; L1599-R1601 HydrophobicContact CD1-CG 3.87Å; L1599-R1601 HydrophobicContact CG-CG 4.11Å; R1601-L1608 PolarHBondContact N-O 3.02Å; R1601-L1608 PolarHBondContact O-N 3.16Å |
| 1602 | R | 90.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 153.7 | -173.1 | -177.2 | 177.2 | 53.3 | 71.8 | 2.2 | 113.7 | E644 F1481 L1483 E1580 M1583 S1584 E1587 M1604 D1606 I1607 | E644-R1602 IonicContact OE2-NH1 3.22Å; E644-R1602 PolarHBondContact OE2-NH1 3.39Å; F1481-R1602 PolarHBondContact O-N 3.05Å; L1483-R1602 WeakPolarHBondContact CG-O 3.17Å; L1483-R1602 PolarHBondContact N-O 3.21Å; E1580-R1602 PolarHBondContact O-NH2 3.37Å; M1583-R1602 VanDerWaalsContact CB-NE 3.34Å; S1584-R1602 PolarHBondContact OG-NH2 2.94Å; S1584-R1602 VanDerWaalsContact OG-NH2 3.1Å; E1587-R1602 VanDerWaalsContact CD-NE 3.27Å; E1587-R1602 IonicContact OE1-CZ 3.08Å; E1587-R1602 IonicContact OE1-NE 3.84Å; E1587-R1602 PolarHBondContact OE1-NE 2.9Å; E1587-R1602 IonicContact OE1-NH2 3.73Å; E1587-R1602 PolarHBondContact OE1-NH2 2.81Å; E1587-R1602 IonicContact OE2-CZ 3.76Å; E1587-R1602 IonicContact OE2-NE 2.73Å; E1587-R1602 PolarHBondContact OE2-NE 3.4Å; E1587-R1602 IonicContact OE2-NH2 3.56Å; E1587-R1602 PolarHBondContact OE2-NH2 2.62Å; R1602-M1604 WeakPolarHBondContact CD-O 3.42Å; R1602-D1606 WeakPolarHBondContact CG-O 2.89Å; R1602-I1607 HydrophobicContact CB-CG1 4.08Å; R1602-I1607 HydrophobicContact CG-CG1 3.6Å |
| 1603 | Y | 88.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 108.7 | 163.1 | -168.9 | -66 | 0 | 0 | 0 | 111 | S641 H642 K643 E644 K645 C646 N647 D1605 D1606 L1646 | S641-Y1603 WeakPolarHBondContact O-CE1 2.74Å; S641-Y1603 PolarHBondContact O-OH 3.46Å; H642-Y1603 WeakPolarHBondContact CA-OH 3.4Å; H642-Y1603 PolarHBondContact O-OH 3Å; H642-Y1603 VanDerWaalsContact O-OH 3.09Å; K643-Y1603 PolarHBondContact N-OH 3.07Å; K643-Y1603 VanDerWaalsContact N-OH 3.16Å; K643-Y1603 WeakPolarHBondContact O-CE2 2.95Å; E644-Y1603 VanDerWaalsContact C-CB 3.45Å; E644-Y1603 WeakPolarHBondContact CA-OH 3.08Å; E644-Y1603 HydrophobicContact CB-CD1 2.64Å; E644-Y1603 HydrophobicContact CB-CD2 3.49Å; E644-Y1603 VanDerWaalsContact CB-CD2 3.49Å; E644-Y1603 HydrophobicContact CB-CE1 3.04Å; E644-Y1603 HydrophobicContact CB-CE2 3.87Å; E644-Y1603 HydrophobicContact CB-CG 2.89Å; E644-Y1603 HydrophobicContact CG-CD1 4.12Å; E644-Y1603 HydrophobicContact CG-CD2 4.29Å; E644-Y1603 HydrophobicContact CG-CE1 4.5Å; E644-Y1603 HydrophobicContact CG-CG 3.98Å; E644-Y1603 PolarHBondContact N-OH 2.89Å; E644-Y1603 VanDerWaalsContact N-OH 3.12Å; E644-Y1603 WeakPolarHBondContact O-CD1 3.23Å; E644-Y1603 WeakPolarHBondContact O-CD2 3.29Å; E644-Y1603 WeakPolarHBondContact O-CE2 3.17Å; E644-Y1603 WeakPolarHBondContact OE2-CA 3.37Å; K645-Y1603 WeakPolarHBondContact CA-OH 3.12Å; K645-Y1603 HydrophobicContact CB-CD1 4.32Å; K645-Y1603 HydrophobicContact CB-CE1 3.33Å; K645-Y1603 HydrophobicContact CD-CE1 4.3Å; K645-Y1603 HydrophobicContact CG-CD1 4.33Å; K645-Y1603 HydrophobicContact CG-CE1 3.84Å; K645-Y1603 PolarHBondContact O-OH 2.96Å; C646-Y1603 VanDerWaalsContact C-CE2 3.48Å; C646-Y1603 VanDerWaalsContact CA-CE2 3.42Å; C646-Y1603 HydrophobicContact CB-CE2 3.42Å; C646-Y1603 VanDerWaalsContact CB-CE2 3.42Å; C646-Y1603 WeakPolarHBondContact CB-OH 3.46Å; C646-Y1603 PolarHBondContact N-OH 2.72Å; C646-Y1603 VanDerWaalsContact N-OH 3.14Å; N647-Y1603 HydrophobicContact CB-CD2 3.43Å; N647-Y1603 VanDerWaalsContact CB-CD2 3.43Å; N647-Y1603 HydrophobicContact CB-CE2 4.12Å; N647-Y1603 WeakPolarHBondContact ND2-CD2 3.36Å; N647-Y1603 WeakPolarHBondContact ND2-CE2 3.43Å; Y1603-D1605 PolarHBondContact O-N 2.8Å; Y1603-D1606 CarbonylContact C-O 3.6Å; Y1603-D1606 PolarHBondContact N-O 3.31Å; Y1603-D1606 PolarHBondContact O-N 2.85Å; Y1603-L1646 HydrophobicContact CD1-CD1 3.99Å; Y1603-L1646 HydrophobicContact CG-CD1 3.94Å |
| 1604 | M | 85.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | -119.8 | 179 | -57.3 | -62.2 | 61.9 | 0 | 0 | 112.4 | S641 E644 F1512 P1576 E1580 R1602 | S641-M1604 VanDerWaalsContact CA-SD 3.57Å; E644-M1604 HydrophobicContact CB-CB 4.2Å; E644-M1604 HydrophobicContact CB-CE 3.28Å; E644-M1604 HydrophobicContact CB-CG 3.45Å; E644-M1604 VanDerWaalsContact CB-CG 3.45Å; E644-M1604 HydrophobicContact CB-SD 3.81Å; E644-M1604 HydrophobicContact CG-CE 3.31Å; E644-M1604 HydrophobicContact CG-SD 4.39Å; E644-M1604 VanDerWaalsContact OE2-CE 3.29Å; E644-M1604 WeakPolarHBondContact OE2-CE 3.42Å; E644-M1604 PolarHBondContact OE2-N 3.24Å; F1512-M1604 HydrophobicContact CZ-CG 4.45Å; F1512-M1604 HydrophobicContact CZ-SD 3.8Å; P1576-M1604 HydrophobicContact CB-CE 3.04Å; P1576-M1604 HydrophobicContact CB-SD 3.4Å; P1576-M1604 WeakPolarHBondContact CB-SD 3.28Å; P1576-M1604 HydrophobicContact CG-CE 3.42Å; P1576-M1604 VanDerWaalsContact CG-CE 3.42Å; P1576-M1604 HydrophobicContact CG-SD 3.01Å; P1576-M1604 WeakPolarHBondContact CG-SD 3.2Å; E1580-M1604 HydrophobicContact CG-CE 3.37Å; R1602-M1604 WeakPolarHBondContact CD-O 3.42Å |
| 1605 | D | 82 | Confident | 88.1 | Confident | 12 Ų | 12 | 34.3 Ų | 34.3 | 6% | 0.064 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -30.8 | 175.2 | 33.7 | -22.6 | 0 | 0 | 0 | 110.3 | K645 D1507 V1508 L1511 Y1603 | K645-D1605 WeakPolarHBondContact CE-OD1 3.37Å; K645-D1605 WeakPolarHBondContact CE-OD2 3.47Å; K645-D1605 IonicContact NZ-OD1 3.54Å; K645-D1605 PolarHBondContact NZ-OD1 3.32Å; K645-D1605 IonicContact NZ-OD2 2.63Å; K645-D1605 PolarHBondContact NZ-OD2 3.13Å; D1507-D1605 CarbonylContact C-O 3.39Å; D1507-D1605 VanDerWaalsContact CA-O 3.29Å; D1507-D1605 WeakPolarHBondContact CA-O 3.35Å; D1507-D1605 WeakPolarHBondContact OD1-CB 3.43Å; V1508-D1605 HydrophobicContact CB-CB 4.05Å; V1508-D1605 WeakPolarHBondContact CG2-O 3.36Å; V1508-D1605 PolarHBondContact N-O 3.41Å; L1511-D1605 HydrophobicContact CB-CB 4.03Å; L1511-D1605 HydrophobicContact CD2-CB 4.06Å; Y1603-D1605 PolarHBondContact O-N 2.8Å |
| 1606 | D | 85.6 | Confident | 88.1 | Confident | 20 Ų | 20 | 35.3 Ų | 35.3 | 11% | 0.107 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 130 | -177.7 | -21 | -116.5 | 0 | 0 | 0 | 112.9 | K645 F1506 R1602 Y1603 F1645 L1646 | K645-D1606 IonicContact NZ-OD1 2.56Å; K645-D1606 PolarHBondContact NZ-OD1 3.14Å; K645-D1606 IonicContact NZ-OD2 2.63Å; K645-D1606 PolarHBondContact NZ-OD2 3.27Å; F1506-D1606 CarbonylContact O-C 3.6Å; F1506-D1606 VanDerWaalsContact O-CA 3.28Å; F1506-D1606 WeakPolarHBondContact O-CA 2.92Å; R1602-D1606 WeakPolarHBondContact CG-O 2.89Å; Y1603-D1606 CarbonylContact C-O 3.6Å; Y1603-D1606 PolarHBondContact N-O 3.31Å; Y1603-D1606 PolarHBondContact O-N 2.85Å; D1606-F1645 HydrophobicContact CB-CD2 4.49Å; D1606-F1645 HydrophobicContact CB-CE2 3.9Å; D1606-L1646 HydrophobicContact CB-CD1 3.59Å; D1606-L1646 HydrophobicContact CB-CD2 4.41Å; D1606-L1646 HydrophobicContact CB-CG 4.02Å; D1606-L1646 VanDerWaalsContact CG-CG 3.46Å; D1606-L1646 WeakPolarHBondContact OD1-CD2 3.16Å; D1606-L1646 WeakPolarHBondContact OD1-CG 2.9Å; D1606-L1646 WeakPolarHBondContact OD2-CD1 3.13Å; D1606-L1646 WeakPolarHBondContact OD2-CD2 3.35Å |
| 1607 | I | 92.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 144.1 | 176.9 | -63.8 | 159.2 | 0 | 0 | 0 | 109 | S1505 F1506 M1583 Y1600 R1602 I1609 M1633 F1645 | S1505-I1607 CarbonylContact C-O 3.53Å; S1505-I1607 WeakPolarHBondContact CA-O 3.4Å; S1505-I1607 WeakPolarHBondContact CB-O 3.21Å; F1506-I1607 HydrophobicContact CB-CB 4.2Å; F1506-I1607 HydrophobicContact CB-CD1 4.19Å; F1506-I1607 HydrophobicContact CD2-CB 4.46Å; F1506-I1607 HydrophobicContact CD2-CD1 4.14Å; F1506-I1607 HydrophobicContact CD2-CG2 4.4Å; F1506-I1607 PolarHBondContact N-O 3.25Å; F1506-I1607 VanDerWaalsContact N-O 3.1Å; F1506-I1607 PolarHBondContact O-N 2.68Å; M1583-I1607 HydrophobicContact CE-CD1 3.87Å; Y1600-I1607 HydrophobicContact CD2-CG2 4.21Å; Y1600-I1607 HydrophobicContact CE1-CG2 4.27Å; Y1600-I1607 HydrophobicContact CE2-CG2 3.54Å; R1602-I1607 HydrophobicContact CB-CG1 4.08Å; R1602-I1607 HydrophobicContact CG-CG1 3.6Å; I1607-I1609 HydrophobicContact CG2-CD1 4.33Å; I1607-I1609 HydrophobicContact CG2-CG1 3.91Å; I1607-M1633 HydrophobicContact CD1-CE 4.49Å; I1607-M1633 HydrophobicContact CD1-SD 3.87Å; I1607-F1645 WeakPolarHBondContact O-CE2 3.46Å |
| 1608 | L | 91.9 | Very high | 88 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 136.8 | 165.4 | 166 | 70.5 | 0 | 0 | 0 | 110.5 | N651 H1504 R1601 I1610 L1643 F1645 L1650 | N651-L1608 WeakPolarHBondContact ND2-CD2 3.32Å; H1504-L1608 WeakPolarHBondContact O-CD1 3.34Å; R1601-L1608 PolarHBondContact N-O 3.02Å; R1601-L1608 PolarHBondContact O-N 3.16Å; L1608-I1610 HydrophobicContact CD1-CG1 4.48Å; L1608-I1610 HydrophobicContact CG-CG1 4.5Å; L1608-L1643 HydrophobicContact CD1-CD2 3.8Å; L1608-F1645 HydrophobicContact CB-CD1 3.58Å; L1608-F1645 HydrophobicContact CB-CD2 4.21Å; L1608-F1645 HydrophobicContact CB-CE1 3.12Å; L1608-F1645 HydrophobicContact CB-CE2 3.78Å; L1608-F1645 HydrophobicContact CB-CG 4.2Å; L1608-F1645 HydrophobicContact CB-CZ 3.26Å; L1608-F1645 HydrophobicContact CD2-CD1 3.7Å; L1608-F1645 HydrophobicContact CD2-CE1 3.72Å; L1608-F1645 HydrophobicContact CG-CD1 4.14Å; L1608-F1645 HydrophobicContact CG-CE1 4.02Å; L1608-L1650 HydrophobicContact CD1-CD1 3.62Å; L1608-L1650 HydrophobicContact CD2-CD1 4.12Å |
| 1609 | I | 91 | Very high | 88.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 132.1 | 175.8 | -48.4 | -171.7 | 0 | 0 | 0 | 108.6 | H1504 F1506 T1597 L1599 Y1600 I1607 C1611 L1620 | H1504-I1609 HydrophobicContact CB-CB 4.48Å; H1504-I1609 PolarHBondContact N-O 2.79Å; H1504-I1609 PolarHBondContact O-N 3.06Å; F1506-I1609 HydrophobicContact CD2-CD1 4Å; F1506-I1609 HydrophobicContact CE2-CD1 3.39Å; F1506-I1609 HydrophobicContact CZ-CD1 3.83Å; T1597-I1609 HydrophobicContact CG2-CG2 3.72Å; L1599-I1609 CarbonylContact O-C 3.59Å; L1599-I1609 WeakPolarHBondContact O-CA 3.37Å; Y1600-I1609 HydrophobicContact CD2-CD1 3.89Å; Y1600-I1609 HydrophobicContact CD2-CG1 3.79Å; Y1600-I1609 HydrophobicContact CE2-CD1 3.91Å; Y1600-I1609 HydrophobicContact CE2-CG1 4.11Å; I1607-I1609 HydrophobicContact CG2-CD1 4.33Å; I1607-I1609 HydrophobicContact CG2-CG1 3.91Å; I1609-C1611 HydrophobicContact CG2-CB 4.35Å; I1609-L1620 HydrophobicContact CD1-CD2 3.67Å |
| 1610 | I | 91.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 123 | 163.8 | -44.2 | -168.6 | 0 | 0 | 0 | 106.5 | L1493 I1498 K1501 S1502 L1503 T1598 L1599 L1608 | L1493-I1610 HydrophobicContact CD2-CD1 3.61Å; I1498-I1610 HydrophobicContact CG2-CD1 4.42Å; I1498-I1610 HydrophobicContact CG2-CG2 3.76Å; K1501-I1610 HydrophobicContact CB-CG2 4.15Å; S1502-I1610 WeakPolarHBondContact O-CA 3.26Å; L1503-I1610 HydrophobicContact CD2-CB 4.29Å; L1503-I1610 HydrophobicContact CD2-CD1 3.66Å; L1503-I1610 HydrophobicContact CD2-CG1 3.59Å; L1503-I1610 HydrophobicContact CD2-CG2 4.09Å; T1598-I1610 CarbonylContact C-O 3.38Å; T1598-I1610 WeakPolarHBondContact CA-O 3.17Å; T1598-I1610 WeakPolarHBondContact CB-O 3.3Å; T1598-I1610 HydrophobicContact CG2-CG2 4.29Å; T1598-I1610 PolarHBondContact N-O 2.9Å; L1599-I1610 HydrophobicContact CB-CB 3.98Å; L1599-I1610 HydrophobicContact CB-CD1 4.09Å; L1599-I1610 HydrophobicContact CB-CG1 3.93Å; L1599-I1610 HydrophobicContact CD2-CD1 3.77Å; L1599-I1610 HydrophobicContact CD2-CG1 4.24Å; L1599-I1610 PolarHBondContact N-O 2.91Å; L1599-I1610 PolarHBondContact O-N 3.4Å; L1608-I1610 HydrophobicContact CD1-CG1 4.48Å; L1608-I1610 HydrophobicContact CG-CG1 4.5Å |
| 1611 | C | 87.7 | Confident | 88.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 173.5 | -177.6 | 50.2 | 0 | 0 | 0 | 0 | 109.7 | K1501 S1502 T1597 I1609 F1615 V1617 | K1501-C1611 CarbonylContact C-O 3.55Å; K1501-C1611 VanDerWaalsContact CA-O 3.25Å; K1501-C1611 WeakPolarHBondContact CA-O 3.26Å; K1501-C1611 WeakPolarHBondContact CB-O 3.36Å; S1502-C1611 PolarHBondContact N-O 2.94Å; S1502-C1611 PolarHBondContact O-N 3Å; S1502-C1611 PolarHBondContact OG-SG 2.76Å; T1597-C1611 HydrophobicContact CG2-CB 4.37Å; I1609-C1611 HydrophobicContact CG2-CB 4.35Å; C1611-F1615 HydrophobicContact CB-CB 3.84Å; C1611-F1615 HydrophobicContact CB-CD1 3.48Å; C1611-F1615 VanDerWaalsContact CB-CD1 3.48Å; C1611-F1615 HydrophobicContact CB-CE1 4.25Å; C1611-F1615 HydrophobicContact CB-CG 3.8Å; C1611-V1617 VanDerWaalsContact SG-CG2 3.53Å |
| 1612 | D | 88.4 | Confident | 87.7 | Confident | 66 Ų | 66 | 40.1 Ų | 40.1 | 35% | 0.353 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 160.8 | 170.3 | -159.6 | -85.3 | 0 | 0 | 0 | 111 | S1502 H1614 F1615 | S1502-D1612 PolarHBondContact OG-O 3.24Å; D1612-H1614 PolarHBondContact O-N 2.94Å; D1612-H1614 IonicContact OD1-CD2 3.64Å; D1612-H1614 PolarHBondContact OD1-CD2 3Å; D1612-H1614 IonicContact OD1-CG 2.77Å; D1612-H1614 PolarHBondContact OD1-N 3.32Å; D1612-F1615 HydrophobicContact CB-CB 4.47Å; D1612-F1615 PolarHBondContact O-N 3.08Å |
| 1613 | K | 82.7 | Confident | 87.6 | Confident | 116 Ų | 116 | 45.7 Ų | 45.7 | 50% | 0.504 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -27.5 | 170.6 | -73 | 162.5 | -177.9 | 169.4 | 0 | 111.8 | D1500 | D1500-K1613 WeakPolarHBondContact O-CD 3.29Å; D1500-K1613 VanDerWaalsContact O-CG 3.31Å; D1500-K1613 WeakPolarHBondContact O-CG 3.43Å; D1500-K1613 IonicContact OD1-NZ 3.29Å; D1500-K1613 PolarHBondContact OD1-NZ 2.99Å |
| 1614 | H | 83 | Confident | 87.6 | Confident | 178 Ų | 178 | 45.7 Ų | 45.7 | 82% | 0.824 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 0.3 | 179.8 | -60.6 | -72.5 | 0 | 0 | 0 | 114.3 | D1612 | D1612-H1614 PolarHBondContact O-N 2.94Å; D1612-H1614 IonicContact OD1-CD2 3.64Å; D1612-H1614 PolarHBondContact OD1-CD2 3Å; D1612-H1614 IonicContact OD1-CG 2.77Å; D1612-H1614 PolarHBondContact OD1-N 3.32Å |
| 1615 | F | 87.7 | Confident | 87.6 | Confident | 29 Ų | 29 | 47.2 Ų | 47.2 | 13% | 0.127 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -85.5 | 127.7 | 179.8 | 175 | -94.1 | 0 | 0 | 0 | 112.1 | E1596 T1597 C1611 D1612 V1617 L1620 | E1596-F1615 HydrophobicContact CB-CD2 4.01Å; E1596-F1615 HydrophobicContact CB-CE2 3.53Å; E1596-F1615 HydrophobicContact CB-CZ 4.48Å; E1596-F1615 HydrophobicContact CG-CE2 4.46Å; E1596-F1615 WeakPolarHBondContact OE2-CE2 3.23Å; T1597-F1615 HydrophobicContact CG2-CE1 3.92Å; T1597-F1615 HydrophobicContact CG2-CE2 4.49Å; T1597-F1615 HydrophobicContact CG2-CZ 3.87Å; C1611-F1615 HydrophobicContact CB-CB 3.84Å; C1611-F1615 HydrophobicContact CB-CD1 3.48Å; C1611-F1615 VanDerWaalsContact CB-CD1 3.48Å; C1611-F1615 HydrophobicContact CB-CE1 4.25Å; C1611-F1615 HydrophobicContact CB-CG 3.8Å; D1612-F1615 HydrophobicContact CB-CB 4.47Å; D1612-F1615 PolarHBondContact O-N 3.08Å; F1615-V1617 HydrophobicContact CD1-CG2 3.72Å; F1615-V1617 HydrophobicContact CE1-CG2 4.01Å; F1615-V1617 PolarHBondContact O-N 2.74Å; F1615-V1617 VanDerWaalsContact O-N 3.12Å; F1615-L1620 HydrophobicContact CE1-CB 4.47Å; F1615-L1620 HydrophobicContact CE1-CD2 4.19Å; F1615-L1620 HydrophobicContact CZ-CB 4.38Å; F1615-L1620 HydrophobicContact CZ-CD2 4.21Å |
| 1616 | D | 85.1 | Confident | 87.7 | Confident | 84 Ų | 84 | 49.5 Ų | 49.5 | 45% | 0.449 | 24% | 0.242 | S | C | . | . | trans | -76.1 | 98.1 | 178 | -175.2 | -6.5 | 0 | 0 | 0 | 112.2 | Y1618 R1619 | D1616-Y1618 VanDerWaalsContact C-N 3.33Å; D1616-Y1618 WeakPolarHBondContact OD1-CA 3.29Å; D1616-Y1618 WeakPolarHBondContact OD1-CB 3.38Å; D1616-Y1618 PolarHBondContact OD1-N 2.79Å; D1616-R1619 HydrophobicContact CB-CB 4.09Å; D1616-R1619 VanDerWaalsContact CG-CB 3.5Å; D1616-R1619 PolarHBondContact OD1-N 3.15Å; D1616-R1619 WeakPolarHBondContact OD2-CB 3.37Å | ||
| 1617 | V | 88.6 | Confident | 87.6 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.3 | -24.4 | 175.8 | 177.2 | 0 | 0 | 0 | 0 | 112.6 | H1504 F1506 C1611 F1615 L1620 L1621 | H1504-V1617 HydrophobicContact CB-CG1 4.32Å; F1506-V1617 HydrophobicContact CE1-CG1 3.86Å; F1506-V1617 HydrophobicContact CZ-CG1 3.66Å; C1611-V1617 VanDerWaalsContact SG-CG2 3.53Å; F1615-V1617 HydrophobicContact CD1-CG2 3.72Å; F1615-V1617 HydrophobicContact CE1-CG2 4.01Å; F1615-V1617 PolarHBondContact O-N 2.74Å; F1615-V1617 VanDerWaalsContact O-N 3.12Å; V1617-L1620 PolarHBondContact O-N 3.19Å; V1617-L1621 WeakPolarHBondContact O-CB 3.37Å; V1617-L1621 PolarHBondContact O-N 2.89Å |
| 1618 | Y | 87.2 | Confident | 86.9 | Confident | 109 Ų | 109 | 51.2 Ų | 51.2 | 43% | 0.427 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -74.9 | -39.8 | 179.8 | -65.5 | -74.3 | 0 | 0 | 0 | 111.1 | L763 D1616 L1620 L1621 D1622 H1635 | L763-Y1618 HydrophobicContact CD2-CE1 4.48Å; D1616-Y1618 VanDerWaalsContact C-N 3.33Å; D1616-Y1618 WeakPolarHBondContact OD1-CA 3.29Å; D1616-Y1618 WeakPolarHBondContact OD1-CB 3.38Å; D1616-Y1618 PolarHBondContact OD1-N 2.79Å; Y1618-L1620 PolarHBondContact O-N 2.77Å; Y1618-L1621 HydrophobicContact CD1-CD2 4.26Å; Y1618-L1621 WeakPolarHBondContact O-CB 3.3Å; Y1618-L1621 PolarHBondContact O-N 3.29Å; Y1618-L1621 VanDerWaalsContact O-N 3.08Å; Y1618-D1622 PolarHBondContact O-N 2.65Å; Y1618-H1635 AromaticContact CE1-CE1 3.7Å; Y1618-H1635 AromaticContact CE1-ND1 3.38Å; Y1618-H1635 WeakPolarHBondContact CE1-ND1 3.37Å; Y1618-H1635 AromaticContact CZ-CE1 3.71Å; Y1618-H1635 AromaticContact CZ-ND1 3.81Å |
| 1619 | R | 89 | Confident | 86 | Confident | 143 Ų | 143 | 58.3 Ų | 58.3 | 54% | 0.54 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -54.2 | -38.2 | 168.8 | -175.8 | -174.6 | -179.3 | -136.3 | 2.1 | 112.5 | L1593 D1616 K1623 | L1593-R1619 HydrophobicContact CD2-CG 3.85Å; D1616-R1619 HydrophobicContact CB-CB 4.09Å; D1616-R1619 VanDerWaalsContact CG-CB 3.5Å; D1616-R1619 PolarHBondContact OD1-N 3.15Å; D1616-R1619 WeakPolarHBondContact OD2-CB 3.37Å; R1619-K1623 VanDerWaalsContact O-CB 3.3Å; R1619-K1623 WeakPolarHBondContact O-CB 3.36Å; R1619-K1623 PolarHBondContact O-N 3.33Å |
| 1620 | L | 89.9 | Confident | 85 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.1 | -44.4 | 173.6 | 176 | 57.8 | 0 | 0 | 0 | 112.1 | L1593 I1594 T1597 I1609 F1615 V1617 Y1618 D1622 K1623 L1624 | L1593-L1620 HydrophobicContact CB-CD1 3.92Å; L1593-L1620 HydrophobicContact CD2-CB 4.43Å; I1594-L1620 HydrophobicContact CG1-CD1 4.05Å; T1597-L1620 HydrophobicContact CG2-CD2 4.34Å; I1609-L1620 HydrophobicContact CD1-CD2 3.67Å; F1615-L1620 HydrophobicContact CE1-CB 4.47Å; F1615-L1620 HydrophobicContact CE1-CD2 4.19Å; F1615-L1620 HydrophobicContact CZ-CB 4.38Å; F1615-L1620 HydrophobicContact CZ-CD2 4.21Å; V1617-L1620 PolarHBondContact O-N 3.19Å; Y1618-L1620 PolarHBondContact O-N 2.77Å; L1620-D1622 PolarHBondContact O-N 2.86Å; L1620-K1623 PolarHBondContact O-N 3.29Å; L1620-L1624 HydrophobicContact CD1-CD1 3.9Å; L1620-L1624 HydrophobicContact CD1-CG 4Å; L1620-L1624 HydrophobicContact CG-CD1 3.91Å; L1620-L1624 HydrophobicContact CG-CG 4.47Å; L1620-L1624 WeakPolarHBondContact O-CB 3.35Å; L1620-L1624 VanDerWaalsContact O-CG 3.22Å; L1620-L1624 WeakPolarHBondContact O-CG 3.38Å; L1620-L1624 PolarHBondContact O-N 3.4Å |
| 1621 | L | 88.9 | Confident | 84.1 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 9% | 0.089 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 177.2 | 178.4 | 62.2 | 0 | 0 | 0 | 112.3 | F1506 V1617 Y1618 L1624 N1625 M1633 H1635 | F1506-L1621 HydrophobicContact CD1-CD1 3.9Å; F1506-L1621 HydrophobicContact CD2-CD1 4.44Å; F1506-L1621 HydrophobicContact CE1-CB 4.06Å; F1506-L1621 HydrophobicContact CE1-CD1 3.8Å; F1506-L1621 HydrophobicContact CE1-CD2 4.41Å; F1506-L1621 HydrophobicContact CE1-CG 4.3Å; F1506-L1621 HydrophobicContact CE2-CD1 4.34Å; F1506-L1621 HydrophobicContact CG-CD1 4.23Å; F1506-L1621 HydrophobicContact CZ-CB 3.8Å; F1506-L1621 HydrophobicContact CZ-CD1 4.02Å; F1506-L1621 HydrophobicContact CZ-CG 4.44Å; V1617-L1621 WeakPolarHBondContact O-CB 3.37Å; V1617-L1621 PolarHBondContact O-N 2.89Å; Y1618-L1621 HydrophobicContact CD1-CD2 4.26Å; Y1618-L1621 WeakPolarHBondContact O-CB 3.3Å; Y1618-L1621 PolarHBondContact O-N 3.29Å; Y1618-L1621 VanDerWaalsContact O-N 3.08Å; L1621-L1624 PolarHBondContact O-N 3.41Å; L1621-N1625 WeakPolarHBondContact O-CB 3.26Å; L1621-N1625 PolarHBondContact O-N 3.19Å; L1621-N1625 PolarHBondContact O-ND2 2.76Å; L1621-M1633 HydrophobicContact CD1-CB 3.74Å; L1621-H1635 HydrophobicContact CD2-CB 3.85Å |
| 1622 | D | 85.6 | Confident | 83.7 | Confident | 66 Ų | 66 | 64.2 Ų | 64.2 | 35% | 0.353 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 178.2 | -83.6 | -21.9 | 0 | 0 | 0 | 112 | P765 Y1618 L1620 L1624 N1625 G1626 | P765-D1622 VanDerWaalsContact CG-CG 3.49Å; P765-D1622 VanDerWaalsContact CG-OD1 3.23Å; P765-D1622 WeakPolarHBondContact CG-OD1 3.33Å; P765-D1622 WeakPolarHBondContact CG-OD2 3.47Å; Y1618-D1622 PolarHBondContact O-N 2.65Å; L1620-D1622 PolarHBondContact O-N 2.86Å; D1622-L1624 VanDerWaalsContact C-N 3.31Å; D1622-L1624 PolarHBondContact O-N 2.92Å; D1622-N1625 PolarHBondContact O-N 3.32Å; D1622-G1626 PolarHBondContact O-N 2.91Å |
| 1623 | K | 86.9 | Confident | 83.6 | Confident | 118 Ų | 118 | 61.4 Ų | 61.4 | 51% | 0.513 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64 | -37.3 | 175.2 | -170.2 | 67.8 | 178.8 | 180 | 0 | 111.7 | T1590 R1619 L1620 V1627 | T1590-K1623 HydrophobicContact CG2-CB 4.5Å; T1590-K1623 HydrophobicContact CG2-CG 3.82Å; R1619-K1623 VanDerWaalsContact O-CB 3.3Å; R1619-K1623 WeakPolarHBondContact O-CB 3.36Å; R1619-K1623 PolarHBondContact O-N 3.33Å; L1620-K1623 PolarHBondContact O-N 3.29Å; K1623-V1627 WeakPolarHBondContact O-CG2 3.43Å |
| 1624 | L | 89.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.9 | -48.3 | 175.7 | -73.7 | 166.6 | 0 | 0 | 0 | 112.5 | F1506 V1586 T1590 L1620 L1621 D1622 G1626 V1627 M1633 | F1506-L1624 HydrophobicContact CD2-CD1 3.93Å; F1506-L1624 HydrophobicContact CE2-CD1 3.56Å; V1586-L1624 HydrophobicContact CG1-CD2 3.59Å; T1590-L1624 HydrophobicContact CG2-CD2 3.87Å; T1590-L1624 HydrophobicContact CG2-CG 4.31Å; T1590-L1624 VanDerWaalsContact OG1-CD2 3.32Å; T1590-L1624 WeakPolarHBondContact OG1-CD2 3.11Å; L1620-L1624 HydrophobicContact CD1-CD1 3.9Å; L1620-L1624 HydrophobicContact CD1-CG 4Å; L1620-L1624 HydrophobicContact CG-CD1 3.91Å; L1620-L1624 HydrophobicContact CG-CG 4.47Å; L1620-L1624 WeakPolarHBondContact O-CB 3.35Å; L1620-L1624 VanDerWaalsContact O-CG 3.22Å; L1620-L1624 WeakPolarHBondContact O-CG 3.38Å; L1620-L1624 PolarHBondContact O-N 3.4Å; L1621-L1624 PolarHBondContact O-N 3.41Å; D1622-L1624 VanDerWaalsContact C-N 3.31Å; D1622-L1624 PolarHBondContact O-N 2.92Å; L1624-G1626 PolarHBondContact O-N 3.39Å; L1624-V1627 PolarHBondContact O-N 3.05Å; L1624-M1633 HydrophobicContact CB-CE 3.8Å; L1624-M1633 HydrophobicContact CB-SD 4.02Å; L1624-M1633 HydrophobicContact CD1-SD 4.18Å; L1624-M1633 HydrophobicContact CD2-CE 4.35Å; L1624-M1633 HydrophobicContact CG-CE 4.48Å |
| 1625 | N | 85.6 | Confident | 83.7 | Confident | 31 Ų | 31 | 51.7 Ų | 51.7 | 17% | 0.166 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.3 | -30.1 | 175.2 | -76.4 | -35.9 | 0 | 0 | 0 | 111.9 | L1621 D1622 V1627 M1633 | L1621-N1625 WeakPolarHBondContact O-CB 3.26Å; L1621-N1625 PolarHBondContact O-N 3.19Å; L1621-N1625 PolarHBondContact O-ND2 2.76Å; D1622-N1625 PolarHBondContact O-N 3.32Å; N1625-V1627 VanDerWaalsContact C-N 3.26Å; N1625-V1627 PolarHBondContact O-N 2.77Å; N1625-M1633 WeakPolarHBondContact OD1-CB 3.33Å; N1625-M1633 WeakPolarHBondContact OD1-CG 3.16Å; N1625-M1633 PolarHBondContact OD1-N 2.94Å |
| 1626 | G | 83.7 | Confident | 83.5 | Confident | 60 Ų | 60 | 55.8 Ų | 55.8 | 62% | 0.619 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -7.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | D1622 L1624 | D1622-G1626 PolarHBondContact O-N 2.91Å; L1624-G1626 PolarHBondContact O-N 3.39Å |
| 1627 | V | 84.1 | Confident | 83.4 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 19% | 0.188 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -30.3 | -178.3 | -176.8 | 0 | 0 | 0 | 0 | 112.9 | Y1585 V1586 M1589 T1590 K1623 L1624 N1625 | Y1585-V1627 HydrophobicContact CD1-CG1 4.26Å; Y1585-V1627 HydrophobicContact CE1-CG1 3.64Å; V1586-V1627 HydrophobicContact CG1-CB 4.31Å; V1586-V1627 HydrophobicContact CG1-CG2 4.13Å; V1586-V1627 HydrophobicContact CG2-CB 4.29Å; V1586-V1627 HydrophobicContact CG2-CG1 4Å; M1589-V1627 HydrophobicContact CB-CG1 4.3Å; M1589-V1627 HydrophobicContact CB-CG2 4.23Å; M1589-V1627 HydrophobicContact CG-CG1 4.29Å; T1590-V1627 HydrophobicContact CG2-CG2 4.22Å; K1623-V1627 WeakPolarHBondContact O-CG2 3.43Å; L1624-V1627 PolarHBondContact O-N 3.05Å; N1625-V1627 VanDerWaalsContact C-N 3.26Å; N1625-V1627 PolarHBondContact O-N 2.77Å |
| 1628 | Q | 77.9 | Confident | 83.2 | Confident | 26 Ų | 26 | 56.3 Ų | 56.3 | 12% | 0.121 | 29% | 0.292 | C | S | . | . | trans | -160.9 | 124.3 | 177.6 | 176.3 | 70.7 | 33.3 | 0 | 0 | 110.6 | P1516 F1582 D1630 I1631 | P1516-Q1628 HydrophobicContact CG-CG 4.26Å; F1582-Q1628 HydrophobicContact CZ-CB 4.27Å; F1582-Q1628 HydrophobicContact CZ-CG 4.19Å; Q1628-D1630 PolarHBondContact NE2-OD2 3.17Å; Q1628-D1630 PolarHBondContact O-N 3.43Å; Q1628-I1631 HydrophobicContact CB-CD1 4.23Å; Q1628-I1631 HydrophobicContact CB-CG1 4.24Å; Q1628-I1631 PolarHBondContact O-N 2.67Å | ||
| 1629 | N | 72.5 | Confident | 82.3 | Confident | 149 Ų | 149 | 55.1 Ų | 55.1 | 80% | 0.797 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -30.3 | -172.6 | -57 | 7.4 | 0 | 0 | 0 | 115.5 | I1631 | N1629-I1631 VanDerWaalsContact C-N 3.32Š|
| 1630 | D | 70.7 | Confident | 81.7 | Confident | 66 Ų | 66 | 56.1 Ų | 56.1 | 35% | 0.353 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -9.9 | -177.3 | -44.4 | -81 | 0 | 0 | 0 | 113.7 | N1514 Q1628 | N1514-D1630 HydrophobicContact CB-CB 4.05Å; N1514-D1630 WeakPolarHBondContact CB-O 3.47Å; N1514-D1630 PolarHBondContact ND2-O 2.93Å; Q1628-D1630 PolarHBondContact NE2-OD2 3.17Å; Q1628-D1630 PolarHBondContact O-N 3.43Å |
| 1631 | I | 71.9 | Confident | 81 | Confident | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | trans | -84.8 | 114.8 | 170.9 | -53.4 | -179.5 | 0 | 0 | 0 | 108.2 | V1508 F1582 V1586 Q1628 N1629 M1633 | V1508-I1631 HydrophobicContact CG1-CG2 3.94Å; F1582-I1631 HydrophobicContact CE1-CD1 3.59Å; F1582-I1631 HydrophobicContact CE1-CG1 3.75Å; F1582-I1631 HydrophobicContact CZ-CD1 3.51Å; F1582-I1631 HydrophobicContact CZ-CG1 3.78Å; V1586-I1631 HydrophobicContact CG2-CD1 3.64Å; Q1628-I1631 HydrophobicContact CB-CD1 4.23Å; Q1628-I1631 HydrophobicContact CB-CG1 4.24Å; Q1628-I1631 PolarHBondContact O-N 2.67Å; N1629-I1631 VanDerWaalsContact C-N 3.32Å; I1631-M1633 HydrophobicContact CG2-CE 3.73Å; I1631-M1633 HydrophobicContact CG2-CG 3.68Å | ||
| 1632 | V | 78.3 | Confident | 80.6 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 32% | 0.315 | 34% | 0.338 | S | S | . | . | trans | -113.6 | 101.9 | 162.2 | -178.6 | 0 | 0 | 0 | 0 | 107.9 | W773 N1509 | W773-V1632 HydrophobicContact CH2-CG2 4.32Å; W773-V1632 HydrophobicContact CZ2-CG2 4.44Å; N1509-V1632 HydrophobicContact CB-CB 4.47Å; N1509-V1632 WeakPolarHBondContact CB-O 3.33Å; N1509-V1632 PolarHBondContact N-O 2.88Å | ||
| 1633 | M | 87.3 | Confident | 80.4 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 3% | 0.034 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 122.2 | 169.3 | -55.4 | -159.3 | -166.5 | 0 | 0 | 109.5 | F1506 V1508 M1583 V1586 I1607 L1621 L1624 N1625 I1631 | F1506-M1633 HydrophobicContact CB-CB 4.35Å; F1506-M1633 HydrophobicContact CB-SD 4.38Å; F1506-M1633 HydrophobicContact CD2-SD 4.27Å; V1508-M1633 HydrophobicContact CG2-CE 4.32Å; V1508-M1633 HydrophobicContact CG2-CG 4.04Å; V1508-M1633 HydrophobicContact CG2-SD 4.3Å; M1583-M1633 HydrophobicContact CE-CE 3.76Å; V1586-M1633 HydrophobicContact CG1-CE 4.14Å; I1607-M1633 HydrophobicContact CD1-CE 4.49Å; I1607-M1633 HydrophobicContact CD1-SD 3.87Å; L1621-M1633 HydrophobicContact CD1-CB 3.74Å; L1624-M1633 HydrophobicContact CB-CE 3.8Å; L1624-M1633 HydrophobicContact CB-SD 4.02Å; L1624-M1633 HydrophobicContact CD1-SD 4.18Å; L1624-M1633 HydrophobicContact CD2-CE 4.35Å; L1624-M1633 HydrophobicContact CG-CE 4.48Å; N1625-M1633 WeakPolarHBondContact OD1-CB 3.33Å; N1625-M1633 WeakPolarHBondContact OD1-CG 3.16Å; N1625-M1633 PolarHBondContact OD1-N 2.94Å; I1631-M1633 HydrophobicContact CG2-CE 3.73Å; I1631-M1633 HydrophobicContact CG2-CG 3.68Å |
| 1634 | T | 82.5 | Confident | 79.9 | Confident | 51 Ų | 51 | 54 Ų | 54 | 31% | 0.313 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 150.5 | 163.9 | 59.8 | 0 | 0 | 0 | 0 | 109.8 | F1506 D1507 N1509 | F1506-T1634 CarbonylContact C-O 3.54Å; F1506-T1634 WeakPolarHBondContact CA-O 3.36Å; D1507-T1634 PolarHBondContact N-O 3.48Å; D1507-T1634 PolarHBondContact O-N 3.16Å; D1507-T1634 PolarHBondContact O-OG1 3.38Å; N1509-T1634 VanDerWaalsContact ND2-CG2 3.27Å; N1509-T1634 WeakPolarHBondContact ND2-CG2 3.3Å |
| 1635 | H | 85 | Confident | 79.6 | Confident | 39 Ų | 39 | 54.2 Ų | 54.2 | 18% | 0.181 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123.3 | 178.4 | 173.2 | -143.3 | 0 | 0 | 0 | 110.8 | H1504 F1506 Y1618 L1621 | H1504-H1635 AromaticContact CG-NE2 3.84Å; H1504-H1635 AromaticContact ND1-CE1 3.85Å; H1504-H1635 AromaticContact ND1-NE2 3.13Å; H1504-H1635 PolarHBondContact ND1-NE2 3.17Å; H1504-H1635 VanDerWaalsContact ND1-NE2 3.13Å; F1506-H1635 HydrophobicContact CD1-CB 3.9Å; F1506-H1635 AromaticContact CD1-CD2 3.65Å; F1506-H1635 HydrophobicContact CE1-CB 4.06Å; F1506-H1635 AromaticContact CE1-CD2 3.44Å; F1506-H1635 VanDerWaalsContact CE1-CD2 3.44Å; F1506-H1635 WeakPolarHBondContact CE1-CD2 3.47Å; F1506-H1635 AromaticContact CE1-CG 3.84Å; Y1618-H1635 AromaticContact CE1-CE1 3.7Å; Y1618-H1635 AromaticContact CE1-ND1 3.38Å; Y1618-H1635 WeakPolarHBondContact CE1-ND1 3.37Å; Y1618-H1635 AromaticContact CZ-CE1 3.71Å; Y1618-H1635 AromaticContact CZ-ND1 3.81Å; L1621-H1635 HydrophobicContact CD2-CB 3.85Å |
| 1636 | E | 82.7 | Confident | 79.2 | Confident | 114 Ų | 114 | 53.9 Ų | 53.9 | 53% | 0.533 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 100.4 | 165.7 | -71.6 | -167.4 | 171.2 | 0 | 0 | 108 | S1505 L1643 | S1505-E1636 PolarHBondContact N-O 2.92Å; S1505-E1636 PolarHBondContact O-N 3.45Å; S1505-E1636 PolarHBondContact OG-O 2.98Å; E1636-L1643 HydrophobicContact CB-CD1 4.39Å; E1636-L1643 VanDerWaalsContact O-CD1 3.27Å; E1636-L1643 WeakPolarHBondContact O-CD1 3.36Å |
| 1637 | P | 83.7 | Confident | 78.4 | Confident | 55 Ų | 55 | 51.3 Ų | 51.3 | 36% | 0.357 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 162.5 | 164 | 29 | -34.1 | 0 | 0 | 0 | 110.8 | S1639 | P1637-S1639 PolarHBondContact O-N 2.95Å |
| 1638 | E | 84.4 | Confident | 77.6 | Confident | 43 Ų | 43 | 50.1 Ų | 50.1 | 20% | 0.201 | 28% | 0.284 | C | S | . | . | trans | -61.3 | 137.5 | 176.5 | 73.5 | -174.2 | 115.3 | 0 | 0 | 112.6 | L1503 G1641 Q1642 L1643 R1652 | L1503-E1638 HydrophobicContact CB-CB 3.96Å; L1503-E1638 HydrophobicContact CB-CG 4.26Å; L1503-E1638 WeakPolarHBondContact CB-OE1 3.19Å; L1503-E1638 PolarHBondContact N-OE1 2.68Å; L1503-E1638 WeakPolarHBondContact O-CB 2.99Å; L1503-E1638 PolarHBondContact O-N 3.39Å; E1638-G1641 WeakPolarHBondContact OE2-CA 3.37Å; E1638-Q1642 CarbonylContact C-O 3.5Å; E1638-Q1642 WeakPolarHBondContact CA-O 3.31Å; E1638-L1643 HydrophobicContact CB-CB 4.17Å; E1638-R1652 IonicContact OE1-CZ 3.95Å; E1638-R1652 IonicContact OE1-NE 3.5Å; E1638-R1652 IonicContact OE1-NH2 3.64Å; E1638-R1652 PolarHBondContact OE1-NH2 3.5Å; E1638-R1652 IonicContact OE2-CZ 2.78Å; E1638-R1652 IonicContact OE2-NE 3.49Å; E1638-R1652 PolarHBondContact OE2-NE 3.22Å; E1638-R1652 IonicContact OE2-NH2 3.64Å; E1638-R1652 PolarHBondContact OE2-NH2 3.2Å | ||
| 1639 | S | 68.8 | Low | 77.5 | Confident | 83 Ų | 83 | 50.6 Ų | 50.6 | 58% | 0.58 | 29% | 0.287 | S | S | * | . | B | Isolated β-bridge | trans | -116.9 | 125 | 178.8 | 47.4 | 0 | 0 | 0 | 0 | 110 | P1637 G1641 Q1642 | P1637-S1639 PolarHBondContact O-N 2.95Å; S1639-G1641 PolarHBondContact O-N 3.21Å; S1639-Q1642 PolarHBondContact N-O 2.63Å; S1639-Q1642 WeakPolarHBondContact O-CA 3.27Å; S1639-Q1642 PolarHBondContact O-N 3.21Å |
| 1640 | N | 74.9 | Confident | 77.8 | Confident | 165 Ų | 165 | 43.5 Ų | 43.5 | 88% | 0.882 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 37.1 | -174.4 | -59 | -39.3 | 0 | 0 | 0 | 114 | Q1642 | N1640-Q1642 VanDerWaalsContact C-N 3.25Å; N1640-Q1642 PolarHBondContact O-N 2.68Å |
| 1641 | G | 76.9 | Confident | 78.1 | Confident | 19 Ų | 19 | 40.6 Ų | 40.6 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 14.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1638 S1639 S1651 R1652 | E1638-G1641 WeakPolarHBondContact OE2-CA 3.37Å; S1639-G1641 PolarHBondContact O-N 3.21Å; G1641-S1651 CarbonylContact O-C 3.01Å; G1641-S1651 VanDerWaalsContact O-CA 3.3Å; G1641-S1651 WeakPolarHBondContact O-CA 2.93Å; G1641-R1652 WeakPolarHBondContact O-CB 2.78Å; G1641-R1652 PolarHBondContact O-N 2.85Å |
| 1642 | Q | 80 | Confident | 78.4 | Confident | 77 Ų | 77 | 43.3 Ų | 43.3 | 36% | 0.36 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 146.2 | -175.7 | -47.6 | -161.4 | 27 | 0 | 0 | 111.5 | E1638 S1639 N1640 L1649 L1650 S1651 | E1638-Q1642 CarbonylContact C-O 3.5Å; E1638-Q1642 WeakPolarHBondContact CA-O 3.31Å; S1639-Q1642 PolarHBondContact N-O 2.63Å; S1639-Q1642 WeakPolarHBondContact O-CA 3.27Å; S1639-Q1642 PolarHBondContact O-N 3.21Å; N1640-Q1642 VanDerWaalsContact C-N 3.25Å; N1640-Q1642 PolarHBondContact O-N 2.68Å; Q1642-L1649 HydrophobicContact CB-CD1 3.84Å; Q1642-L1649 HydrophobicContact CB-CG 4.44Å; Q1642-L1650 WeakPolarHBondContact CA-O 3.4Å; Q1642-L1650 WeakPolarHBondContact CB-O 3.38Å; Q1642-S1651 PolarHBondContact OE1-OG 3.27Å; Q1642-S1651 VanDerWaalsContact OE1-OG 3.14Å |
| 1643 | L | 81.9 | Confident | 78.3 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 119.6 | -174.6 | -179.3 | 63.9 | 0 | 0 | 0 | 111.6 | L1503 H1504 S1505 L1608 E1636 E1638 F1645 L1649 L1650 | L1503-L1643 HydrophobicContact CB-CD2 4.18Å; H1504-L1643 VanDerWaalsContact C-CD2 3.44Å; S1505-L1643 WeakPolarHBondContact OG-CD1 3.47Å; L1608-L1643 HydrophobicContact CD1-CD2 3.8Å; E1636-L1643 HydrophobicContact CB-CD1 4.39Å; E1636-L1643 VanDerWaalsContact O-CD1 3.27Å; E1636-L1643 WeakPolarHBondContact O-CD1 3.36Å; E1638-L1643 HydrophobicContact CB-CB 4.17Å; L1643-F1645 PolarHBondContact O-N 2.89Å; L1643-L1649 CarbonylContact O-C 3.51Å; L1643-L1649 WeakPolarHBondContact O-CA 2.91Å; L1643-L1650 HydrophobicContact CB-CB 4.02Å; L1643-L1650 HydrophobicContact CB-CD1 4.22Å; L1643-L1650 HydrophobicContact CB-CG 4.06Å; L1643-L1650 HydrophobicContact CD2-CD1 4.09Å; L1643-L1650 PolarHBondContact N-O 2.9Å; L1643-L1650 PolarHBondContact O-N 3.44Å |
| 1644 | A | 76.4 | Confident | 77.6 | Confident | 58 Ų | 58 | 47.9 Ų | 47.9 | 48% | 0.479 | 27% | 0.265 | S | S | . | . | trans | -70.8 | 28.2 | -160.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | L1646 | A1644-L1646 PolarHBondContact O-N 3.43Š| ||
| 1645 | F | 82.5 | Confident | 77 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | trans | -48.8 | 108.3 | -172.7 | -144.9 | -143.4 | 0 | 0 | 0 | 111.3 | D648 L1489 D1606 I1607 L1608 L1643 D1647 I1648 L1649 L1650 | D648-F1645 HydrophobicContact CB-CB 3.83Å; D648-F1645 HydrophobicContact CB-CD1 3.06Å; D648-F1645 HydrophobicContact CB-CD2 4.41Å; D648-F1645 HydrophobicContact CB-CE1 3.46Å; D648-F1645 VanDerWaalsContact CB-CE1 3.46Å; D648-F1645 HydrophobicContact CB-CG 3.54Å; D648-F1645 HydrophobicContact CB-CZ 4.28Å; D648-F1645 VanDerWaalsContact CG-CZ 3.43Å; D648-F1645 WeakPolarHBondContact OD1-CE1 3.4Å; D648-F1645 WeakPolarHBondContact OD1-CZ 3.07Å; D648-F1645 WeakPolarHBondContact OD2-CB 3.44Å; D648-F1645 WeakPolarHBondContact OD2-CD1 3.3Å; D648-F1645 WeakPolarHBondContact OD2-CD2 3.29Å; D648-F1645 WeakPolarHBondContact OD2-CE1 3.2Å; D648-F1645 VanDerWaalsContact OD2-CE2 3.27Å; D648-F1645 WeakPolarHBondContact OD2-CE2 3.14Å; D648-F1645 WeakPolarHBondContact OD2-CG 3.48Å; D648-F1645 WeakPolarHBondContact OD2-CZ 3.34Å; L1489-F1645 HydrophobicContact CD2-CD1 4.36Å; L1489-F1645 HydrophobicContact CD2-CE1 4.03Å; D1606-F1645 HydrophobicContact CB-CD2 4.49Å; D1606-F1645 HydrophobicContact CB-CE2 3.9Å; I1607-F1645 WeakPolarHBondContact O-CE2 3.46Å; L1608-F1645 HydrophobicContact CB-CD1 3.58Å; L1608-F1645 HydrophobicContact CB-CD2 4.21Å; L1608-F1645 HydrophobicContact CB-CE1 3.12Å; L1608-F1645 HydrophobicContact CB-CE2 3.78Å; L1608-F1645 HydrophobicContact CB-CG 4.2Å; L1608-F1645 HydrophobicContact CB-CZ 3.26Å; L1608-F1645 HydrophobicContact CD2-CD1 3.7Å; L1608-F1645 HydrophobicContact CD2-CE1 3.72Å; L1608-F1645 HydrophobicContact CG-CD1 4.14Å; L1608-F1645 HydrophobicContact CG-CE1 4.02Å; L1643-F1645 PolarHBondContact O-N 2.89Å; F1645-D1647 PolarHBondContact O-N 3.47Å; F1645-I1648 HydrophobicContact CB-CG1 4.5Å; F1645-I1648 CarbonylContact O-C 3.58Å; F1645-I1648 VanDerWaalsContact O-CA 3.28Å; F1645-I1648 WeakPolarHBondContact O-CA 3.37Å; F1645-I1648 WeakPolarHBondContact O-CG1 3.33Å; F1645-I1648 PolarHBondContact O-N 3.03Å; F1645-L1649 PolarHBondContact O-N 2.99Å; F1645-L1650 HydrophobicContact CB-CD2 4.47Å; F1645-L1650 HydrophobicContact CB-CG 4.45Å | ||
| 1646 | L | 78.1 | Confident | 76.2 | Confident | 24 Ų | 24 | 47 Ų | 47 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | -95 | -179.2 | -72.4 | 157.2 | 0 | 0 | 0 | 124.2 | E644 K645 D648 Y1603 D1606 A1644 | E644-L1646 WeakPolarHBondContact O-CD1 3.41Å; K645-L1646 HydrophobicContact CB-CD2 4Å; K645-L1646 HydrophobicContact CD-CD2 4.22Å; K645-L1646 HydrophobicContact CG-CD1 4.32Å; K645-L1646 HydrophobicContact CG-CD2 3.15Å; K645-L1646 HydrophobicContact CG-CG 4.22Å; D648-L1646 HydrophobicContact CB-CB 4.37Å; D648-L1646 VanDerWaalsContact CG-CD1 3.42Å; D648-L1646 WeakPolarHBondContact O-CB 3.09Å; D648-L1646 WeakPolarHBondContact OD1-CD1 3.49Å; D648-L1646 WeakPolarHBondContact OD2-CB 3.15Å; D648-L1646 WeakPolarHBondContact OD2-CD1 3.39Å; D648-L1646 WeakPolarHBondContact OD2-CG 3.34Å; D648-L1646 PolarHBondContact OD2-N 3.3Å; Y1603-L1646 HydrophobicContact CD1-CD1 3.99Å; Y1603-L1646 HydrophobicContact CG-CD1 3.94Å; D1606-L1646 HydrophobicContact CB-CD1 3.59Å; D1606-L1646 HydrophobicContact CB-CD2 4.41Å; D1606-L1646 HydrophobicContact CB-CG 4.02Å; D1606-L1646 VanDerWaalsContact CG-CG 3.46Å; D1606-L1646 WeakPolarHBondContact OD1-CD2 3.16Å; D1606-L1646 WeakPolarHBondContact OD1-CG 2.9Å; D1606-L1646 WeakPolarHBondContact OD2-CD1 3.13Å; D1606-L1646 WeakPolarHBondContact OD2-CD2 3.35Å; A1644-L1646 PolarHBondContact O-N 3.43Å |
| 1647 | D | 66.3 | Low | 75.9 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.5 | 33.3 | 156.1 | 40.2 | 126.6 | 0 | 0 | 0 | 114.9 | K595 D648 M649 K1362 F1645 | K595-D1647 WeakPolarHBondContact CA-OD1 3.47Å; K595-D1647 HydrophobicContact CB-CB 4.07Å; K595-D1647 VanDerWaalsContact CB-OD1 3.25Å; K595-D1647 WeakPolarHBondContact CB-OD1 3.48Å; K595-D1647 HydrophobicContact CD-CB 4.07Å; K595-D1647 WeakPolarHBondContact CD-O 3.36Å; K595-D1647 HydrophobicContact CG-CB 3.77Å; K595-D1647 WeakPolarHBondContact CG-OD1 3.4Å; K595-D1647 VanDerWaalsContact NZ-CB 3.27Å; K595-D1647 PolarHBondContact NZ-O 3.34Å; D648-D1647 PolarHBondContact O-N 3.04Å; M649-D1647 HydrophobicContact CE-CB 4.25Å; M649-D1647 WeakPolarHBondContact CE-OD1 3.42Å; M649-D1647 WeakPolarHBondContact CE-OD2 3.43Å; M649-D1647 HydrophobicContact SD-CB 3.74Å; K1362-D1647 IonicContact NZ-OD2 3.54Å; K1362-D1647 PolarHBondContact NZ-OD2 3.11Å; F1645-D1647 PolarHBondContact O-N 3.47Å |
| 1648 | I | 66.5 | Low | 75.2 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -90.8 | -107.6 | 136 | 54.7 | -178 | 0 | 0 | 0 | 114.2 | L592 D648 M649 N651 K652 F1645 L1650 L1662 | L592-I1648 VanDerWaalsContact CD1-O 3.26Å; L592-I1648 WeakPolarHBondContact CD1-O 3.43Å; L592-I1648 HydrophobicContact CD2-CB 4.04Å; L592-I1648 HydrophobicContact CD2-CG2 3.72Å; D648-I1648 HydrophobicContact CB-CD1 3.77Å; D648-I1648 HydrophobicContact CB-CG1 3.87Å; D648-I1648 WeakPolarHBondContact O-CG1 3.45Å; D648-I1648 PolarHBondContact O-N 3.1Å; D648-I1648 VanDerWaalsContact O-N 3.08Å; M649-I1648 HydrophobicContact CB-CG2 3.64Å; M649-I1648 VanDerWaalsContact O-CG2 3.26Å; M649-I1648 WeakPolarHBondContact O-CG2 3.09Å; N651-I1648 VanDerWaalsContact CA-CD1 3.44Å; N651-I1648 HydrophobicContact CB-CD1 3.44Å; N651-I1648 VanDerWaalsContact CB-CD1 3.44Å; K652-I1648 HydrophobicContact CB-CB 3.52Å; K652-I1648 HydrophobicContact CB-CD1 4.03Å; K652-I1648 HydrophobicContact CB-CG1 4.31Å; K652-I1648 HydrophobicContact CB-CG2 3.04Å; K652-I1648 HydrophobicContact CD-CB 4.09Å; K652-I1648 HydrophobicContact CD-CG2 4.27Å; K652-I1648 HydrophobicContact CG-CB 4.07Å; K652-I1648 HydrophobicContact CG-CG2 4.05Å; F1645-I1648 HydrophobicContact CB-CG1 4.5Å; F1645-I1648 CarbonylContact O-C 3.58Å; F1645-I1648 VanDerWaalsContact O-CA 3.28Å; F1645-I1648 WeakPolarHBondContact O-CA 3.37Å; F1645-I1648 WeakPolarHBondContact O-CG1 3.33Å; F1645-I1648 PolarHBondContact O-N 3.03Å; I1648-L1650 HydrophobicContact CD1-CD2 3.9Å; I1648-L1662 HydrophobicContact CG2-CD2 3.67Å |
| 1649 | L | 76.7 | Confident | 74.4 | Confident | 36 Ų | 36 | 40 Ų | 40 | 19% | 0.188 | 22% | 0.224 | C | C | . | . | 117 | 134.9 | -127.4 | -172 | 64.3 | 0 | 0 | 0 | 111.8 | L592 K652 Q1642 L1643 F1645 | L592-L1649 HydrophobicContact CD1-CB 4.2Å; L592-L1649 HydrophobicContact CD1-CD2 4.41Å; K652-L1649 HydrophobicContact CD-CB 4.11Å; K652-L1649 WeakPolarHBondContact CD-O 3.29Å; K652-L1649 WeakPolarHBondContact CE-O 3.31Å; K652-L1649 WeakPolarHBondContact CG-O 3.03Å; K652-L1649 PolarHBondContact NZ-O 2.97Å; Q1642-L1649 HydrophobicContact CB-CD1 3.84Å; Q1642-L1649 HydrophobicContact CB-CG 4.44Å; L1643-L1649 CarbonylContact O-C 3.51Å; L1643-L1649 WeakPolarHBondContact O-CA 2.91Å; F1645-L1649 PolarHBondContact O-N 2.99Å | |||
| 1650 | L | 79.2 | Confident | 74.1 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 160.6 | 166.9 | -52.2 | -169.5 | 0 | 0 | 0 | 109.4 | N651 K652 L1503 L1608 Q1642 L1643 F1645 I1648 | N651-L1650 HydrophobicContact CB-CD2 3.6Å; K652-L1650 PolarHBondContact NZ-O 3.32Å; L1503-L1650 HydrophobicContact CD1-CB 4.12Å; L1503-L1650 HydrophobicContact CD1-CD1 3.94Å; L1503-L1650 HydrophobicContact CD2-CD1 3.99Å; L1503-L1650 HydrophobicContact CG-CD1 4.41Å; L1608-L1650 HydrophobicContact CD1-CD1 3.62Å; L1608-L1650 HydrophobicContact CD2-CD1 4.12Å; Q1642-L1650 WeakPolarHBondContact CA-O 3.4Å; Q1642-L1650 WeakPolarHBondContact CB-O 3.38Å; L1643-L1650 HydrophobicContact CB-CB 4.02Å; L1643-L1650 HydrophobicContact CB-CD1 4.22Å; L1643-L1650 HydrophobicContact CB-CG 4.06Å; L1643-L1650 HydrophobicContact CD2-CD1 4.09Å; L1643-L1650 PolarHBondContact N-O 2.9Å; L1643-L1650 PolarHBondContact O-N 3.44Å; F1645-L1650 HydrophobicContact CB-CD2 4.47Å; F1645-L1650 HydrophobicContact CB-CG 4.45Å; I1648-L1650 HydrophobicContact CD1-CD2 3.9Å |
| 1651 | S | 76.2 | Confident | 73.2 | Confident | 5 Ų | 5 | 30.9 Ų | 30.9 | 4% | 0.035 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 83.6 | -179.7 | -59.7 | 0 | 0 | 0 | 0 | 112.3 | K652 E655 G1641 Q1642 I1658 R1659 | K652-S1651 VanDerWaalsContact CE-OG 3.3Å; K652-S1651 WeakPolarHBondContact CE-OG 3.19Å; K652-S1651 VanDerWaalsContact NZ-CB 3.31Å; K652-S1651 PolarHBondContact NZ-OG 3.4Å; E655-S1651 PolarHBondContact OE1-N 2.6Å; G1641-S1651 CarbonylContact O-C 3.01Å; G1641-S1651 VanDerWaalsContact O-CA 3.3Å; G1641-S1651 WeakPolarHBondContact O-CA 2.93Å; Q1642-S1651 PolarHBondContact OE1-OG 3.27Å; Q1642-S1651 VanDerWaalsContact OE1-OG 3.14Å; S1651-I1658 CarbonylContact O-C 3.56Å; S1651-R1659 WeakPolarHBondContact O-CA 3.34Å; S1651-R1659 WeakPolarHBondContact O-CB 3.46Å; S1651-R1659 PolarHBondContact O-N 2.93Å |
| 1652 | R | 78 | Confident | 72.1 | Confident | 62 Ų | 62 | 30 Ų | 30 | 23% | 0.234 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | -43.2 | 156.2 | 173.5 | 177.1 | -174.5 | -63.1 | -79.9 | -7.2 | 114.3 | I1498 K1501 E1638 G1641 | I1498-R1652 HydrophobicContact CD1-CB 4.16Å; I1498-R1652 HydrophobicContact CD1-CG 4.24Å; I1498-R1652 PolarHBondContact O-NH1 2.91Å; K1501-R1652 PolarHBondContact O-NH1 2.97Å; K1501-R1652 PolarHBondContact O-NH2 3.31Å; E1638-R1652 IonicContact OE1-CZ 3.95Å; E1638-R1652 IonicContact OE1-NE 3.5Å; E1638-R1652 IonicContact OE1-NH2 3.64Å; E1638-R1652 PolarHBondContact OE1-NH2 3.5Å; E1638-R1652 IonicContact OE2-CZ 2.78Å; E1638-R1652 IonicContact OE2-NE 3.49Å; E1638-R1652 PolarHBondContact OE2-NE 3.22Å; E1638-R1652 IonicContact OE2-NH2 3.64Å; E1638-R1652 PolarHBondContact OE2-NH2 3.2Å; G1641-R1652 WeakPolarHBondContact O-CB 2.78Å; G1641-R1652 PolarHBondContact O-N 2.85Å |
| 1653 | R | 77.2 | Confident | 70.4 | Confident | 14 Ų | 14 | 26.6 Ų | 26.6 | 5% | 0.053 | 14% | 0.14 | C | C | . | . | trans | -134.8 | 161.9 | 177.3 | -56.4 | 172.9 | 156.3 | 160.6 | -3.1 | 115.3 | E655 L656 T658 Q659 D1655 G1656 T1657 I1658 R1659 | E655-R1653 PolarHBondContact O-NH1 2.91Å; E655-R1653 PolarHBondContact O-NH2 3.41Å; L656-R1653 PolarHBondContact O-NH2 2.95Å; T658-R1653 PolarHBondContact OG1-NH1 3.31Å; Q659-R1653 VanDerWaalsContact OE1-NH2 3.1Å; R1653-D1655 VanDerWaalsContact C-N 3.31Å; R1653-D1655 WeakPolarHBondContact CB-OD1 3.28Å; R1653-D1655 WeakPolarHBondContact CD-OD1 3.2Å; R1653-D1655 IonicContact NH1-OD2 2.68Å; R1653-D1655 PolarHBondContact O-N 2.97Å; R1653-G1656 PolarHBondContact O-N 3.3Å; R1653-T1657 VanDerWaalsContact CB-O 3.25Å; R1653-T1657 WeakPolarHBondContact CB-O 3.37Å; R1653-T1657 WeakPolarHBondContact CD-OG1 3.46Å; R1653-T1657 WeakPolarHBondContact CG-O 3.44Å; R1653-T1657 PolarHBondContact N-O 2.96Å; R1653-T1657 VanDerWaalsContact N-O 3.13Å; R1653-T1657 PolarHBondContact NH1-OG1 2.9Å; R1653-I1658 WeakPolarHBondContact CD-O 3.3Å; R1653-I1658 PolarHBondContact NE-O 2.81Å; R1653-I1658 PolarHBondContact NH1-O 3.03Å; R1653-R1659 HydrophobicContact CG-CB 4.05Å | ||
| 1654 | D | 71.4 | Confident | 68.5 | Low | 141 Ų | 141 | 27.4 Ų | 27.4 | 75% | 0.754 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -39.5 | -46.3 | 159.2 | -11.2 | -59.5 | 0 | 0 | 0 | 114.3 | Q659 G1656 | Q659-D1654 PolarHBondContact NE2-OD2 2.95Å; Q659-D1654 VanDerWaalsContact NE2-OD2 3.08Å; D1654-G1656 PolarHBondContact O-N 3.3Å |
| 1655 | D | 70.3 | Confident | 66.8 | Low | 71 Ų | 71 | 24.7 Ų | 24.7 | 38% | 0.38 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 3.8 | 179.9 | 70.8 | 0.4 | 0 | 0 | 0 | 114.2 | R1653 T1657 | R1653-D1655 VanDerWaalsContact C-N 3.31Å; R1653-D1655 WeakPolarHBondContact CB-OD1 3.28Å; R1653-D1655 WeakPolarHBondContact CD-OD1 3.2Å; R1653-D1655 IonicContact NH1-OD2 2.68Å; R1653-D1655 PolarHBondContact O-N 2.97Å; D1655-T1657 PolarHBondContact O-N 2.78Å; D1655-T1657 VanDerWaalsContact OD1-CA 3.28Å; D1655-T1657 WeakPolarHBondContact OD1-CA 3.24Å; D1655-T1657 WeakPolarHBondContact OD1-CB 3.28Å; D1655-T1657 PolarHBondContact OD1-N 3.44Å; D1655-T1657 PolarHBondContact OD1-OG1 3.16Å; D1655-T1657 PolarHBondContact OD2-OG1 3.03Å |
| 1656 | G | 69.2 | Low | 65.2 | Low | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 71.2 | -15.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N1497 I1498 R1653 D1654 | N1497-G1656 VanDerWaalsContact OD1-C 3.25Å; N1497-G1656 VanDerWaalsContact OD1-CA 3.25Å; N1497-G1656 WeakPolarHBondContact OD1-CA 3.25Å; N1497-G1656 PolarHBondContact OD1-O 3.06Å; I1498-G1656 PolarHBondContact N-O 2.66Å; R1653-G1656 PolarHBondContact O-N 3.3Å; D1654-G1656 PolarHBondContact O-N 3.3Å |
| 1657 | T | 74.7 | Confident | 63.6 | Low | 35 Ų | 35 | 23.4 Ų | 23.4 | 22% | 0.215 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -69.8 | 179.7 | 160.4 | 89.2 | 0 | 0 | 0 | 0 | 109.2 | T658 R1653 D1655 | T658-T1657 PolarHBondContact OG1-OG1 3.36Å; R1653-T1657 VanDerWaalsContact CB-O 3.25Å; R1653-T1657 WeakPolarHBondContact CB-O 3.37Å; R1653-T1657 WeakPolarHBondContact CD-OG1 3.46Å; R1653-T1657 WeakPolarHBondContact CG-O 3.44Å; R1653-T1657 PolarHBondContact N-O 2.96Å; R1653-T1657 VanDerWaalsContact N-O 3.13Å; R1653-T1657 PolarHBondContact NH1-OG1 2.9Å; D1655-T1657 PolarHBondContact O-N 2.78Å; D1655-T1657 VanDerWaalsContact OD1-CA 3.28Å; D1655-T1657 WeakPolarHBondContact OD1-CA 3.24Å; D1655-T1657 WeakPolarHBondContact OD1-CB 3.28Å; D1655-T1657 PolarHBondContact OD1-N 3.44Å; D1655-T1657 PolarHBondContact OD1-OG1 3.16Å; D1655-T1657 PolarHBondContact OD2-OG1 3.03Å |
| 1658 | I | 68.7 | Low | 62.7 | Low | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | B | Isolated β-bridge | trans | -115.4 | 172.7 | -160.7 | -48.3 | 172.4 | 0 | 0 | 0 | 102.7 | E655 L1493 I1496 I1498 S1651 R1653 | E655-I1658 CarbonylContact C-O 3.6Å; E655-I1658 VanDerWaalsContact C-O 3.29Å; E655-I1658 WeakPolarHBondContact CA-O 3.43Å; E655-I1658 VanDerWaalsContact CB-CA 3.47Å; E655-I1658 HydrophobicContact CB-CB 3.53Å; E655-I1658 HydrophobicContact CB-CG2 4.13Å; E655-I1658 WeakPolarHBondContact CB-O 3.39Å; E655-I1658 HydrophobicContact CG-CB 3.42Å; E655-I1658 VanDerWaalsContact CG-CB 3.42Å; E655-I1658 HydrophobicContact CG-CG2 3.38Å; E655-I1658 VanDerWaalsContact O-O 3.11Å; E655-I1658 WeakPolarHBondContact OE1-CG2 3.1Å; L1493-I1658 HydrophobicContact CD1-CD1 4.22Å; L1493-I1658 HydrophobicContact CD1-CG2 4.29Å; L1493-I1658 HydrophobicContact CD2-CD1 3.76Å; I1496-I1658 VanDerWaalsContact O-CD1 3.22Å; I1496-I1658 WeakPolarHBondContact O-CD1 3.41Å; I1498-I1658 HydrophobicContact CB-CD1 4.44Å; I1498-I1658 HydrophobicContact CD1-CD1 3.97Å; I1498-I1658 HydrophobicContact CD1-CG1 3.68Å; I1498-I1658 HydrophobicContact CD1-CG2 4.17Å; I1498-I1658 HydrophobicContact CG1-CD1 3.99Å; I1498-I1658 HydrophobicContact CG1-CG1 3.74Å; I1498-I1658 HydrophobicContact CG2-CD1 3.75Å; I1498-I1658 HydrophobicContact CG2-CG1 4.48Å; S1651-I1658 CarbonylContact O-C 3.56Å; R1653-I1658 WeakPolarHBondContact CD-O 3.3Å; R1653-I1658 PolarHBondContact NE-O 2.81Å; R1653-I1658 PolarHBondContact NH1-O 3.03Å |
| 1659 | R | 68.7 | Low | 62.2 | Low | 31 Ų | 31 | 26.1 Ų | 26.1 | 12% | 0.117 | 13% | 0.127 | C | C | . | . | trans | -122.7 | 84.5 | 172.2 | -162.4 | -178 | -170.4 | -102.6 | -16.5 | 120.8 | E588 K652 E655 L656 S1651 R1653 | E588-R1659 IonicContact OE2-CZ 2.67Å; E588-R1659 IonicContact OE2-NH1 3.52Å; E588-R1659 PolarHBondContact OE2-NH1 3.01Å; E588-R1659 IonicContact OE2-NH2 2.9Å; E588-R1659 PolarHBondContact OE2-NH2 2.83Å; E588-R1659 VanDerWaalsContact OE2-NH2 3.13Å; K652-R1659 WeakPolarHBondContact CE-O 3.21Å; K652-R1659 PolarHBondContact NZ-O 3.14Å; E655-R1659 VanDerWaalsContact CB-CA 3.48Å; E655-R1659 WeakPolarHBondContact OE1-CA 3.47Å; E655-R1659 PolarHBondContact OE1-N 2.81Å; L656-R1659 HydrophobicContact CB-CG 3.89Å; L656-R1659 HydrophobicContact CD1-CG 3.97Å; L656-R1659 HydrophobicContact CG-CG 3.59Å; S1651-R1659 WeakPolarHBondContact O-CA 3.34Å; S1651-R1659 WeakPolarHBondContact O-CB 3.46Å; S1651-R1659 PolarHBondContact O-N 2.93Å; R1653-R1659 HydrophobicContact CG-CB 4.05Å | ||
| 1660 | R | 63.1 | Low | 61.4 | Low | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.015 | 12% | 0.118 | C | C | . | . | trans | -75.2 | 98.2 | -170.8 | -91.2 | 145.1 | -80.8 | 160.2 | 11.6 | 115.7 | N651 K652 L653 I654 E655 L656 I1490 L1493 G1494 | N651-R1660 WeakPolarHBondContact O-CG 3.28Å; K652-R1660 VanDerWaalsContact C-C 3.42Å; K652-R1660 VanDerWaalsContact C-CA 3.45Å; K652-R1660 VanDerWaalsContact CA-CA 3.41Å; K652-R1660 HydrophobicContact CB-CB 4.3Å; K652-R1660 HydrophobicContact CB-CG 4.45Å; K652-R1660 VanDerWaalsContact CG-CA 3.43Å; K652-R1660 HydrophobicContact CG-CB 4.42Å; K652-R1660 CarbonylContact O-C 3.58Å; K652-R1660 WeakPolarHBondContact O-CA 2.84Å; K652-R1660 WeakPolarHBondContact O-CB 3.45Å; L653-R1660 VanDerWaalsContact N-CB 3.28Å; I654-R1660 VanDerWaalsContact C-CB 3.43Å; I654-R1660 VanDerWaalsContact CG2-NH1 3.27Å; E655-R1660 HydrophobicContact CB-CB 3.49Å; E655-R1660 VanDerWaalsContact CB-CB 3.49Å; E655-R1660 HydrophobicContact CB-CG 3.55Å; E655-R1660 HydrophobicContact CG-CB 3.37Å; E655-R1660 VanDerWaalsContact CG-CD 3.5Å; E655-R1660 HydrophobicContact CG-CG 3.05Å; E655-R1660 WeakPolarHBondContact OE2-CA 3.22Å; E655-R1660 PolarHBondContact OE2-N 3.3Å; L656-R1660 WeakPolarHBondContact CB-O 3.46Å; L656-R1660 VanDerWaalsContact N-CB 3.33Å; L656-R1660 PolarHBondContact N-O 3.44Å; I1490-R1660 PolarHBondContact O-NH1 2.91Å; I1490-R1660 VanDerWaalsContact O-NH1 3.13Å; L1493-R1660 VanDerWaalsContact O-CZ 3.27Å; L1493-R1660 PolarHBondContact O-NH1 2.86Å; L1493-R1660 PolarHBondContact O-NH2 3.29Å; G1494-R1660 PolarHBondContact O-NH1 2.93Å; G1494-R1660 PolarHBondContact O-NH2 2.94Å | ||
| 1661 | R | 55.8 | Low | 60.1 | Low | 53 Ų | 53 | 28.1 Ų | 28.1 | 20% | 0.2 | 14% | 0.138 | C | C | . | . | trans | -123.3 | 116.6 | -158.3 | 138.8 | -141 | -156.3 | 88.7 | 11.9 | 120.8 | E588 L592 K652 L656 | E588-R1661 HydrophobicContact CB-CG 4.14Å; E588-R1661 CarbonylContact O-C 3.41Å; E588-R1661 WeakPolarHBondContact O-CA 3.42Å; E588-R1661 VanDerWaalsContact O-CB 3.23Å; E588-R1661 WeakPolarHBondContact O-CB 3.25Å; E588-R1661 WeakPolarHBondContact O-CG 3.28Å; E588-R1661 IonicContact OE1-CZ 3.6Å; E588-R1661 IonicContact OE1-NH1 3.45Å; E588-R1661 PolarHBondContact OE1-NH1 3.18Å; E588-R1661 IonicContact OE1-NH2 3.53Å; E588-R1661 PolarHBondContact OE1-NH2 3.22Å; E588-R1661 IonicContact OE2-NH1 2.77Å; E588-R1661 PolarHBondContact OE2-NH1 2.79Å; L592-R1661 WeakPolarHBondContact CA-O 3.45Å; L592-R1661 HydrophobicContact CD2-CG 4.15Å; L592-R1661 WeakPolarHBondContact CD2-O 3.4Å; L592-R1661 PolarHBondContact N-O 2.94Å; K652-R1661 HydrophobicContact CD-CB 3.89Å; K652-R1661 HydrophobicContact CD-CG 4.28Å; K652-R1661 HydrophobicContact CG-CB 4.4Å; K652-R1661 PolarHBondContact O-N 2.82Å; L656-R1661 HydrophobicContact CD1-CB 3.63Å | ||
| 1662 | L | 53.1 | Low | 59.1 | Low | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -156.3 | 0 | -161.3 | -63.3 | 174.1 | 0 | 0 | 0 | 127.3 | E588 L589 A590 L592 K593 I596 M649 L650 K652 L653 I1648 | E588-L1662 PolarHBondContact O-N 2.91Å; L589-L1662 CarbonylContact O-C 3.56Å; L589-L1662 VanDerWaalsContact O-C 3.31Å; L589-L1662 VanDerWaalsContact O-CA 3.28Å; L589-L1662 WeakPolarHBondContact O-CA 3.41Å; L589-L1662 PolarHBondContact O-N 3.06Å; A590-L1662 CarbonylContact C-O 3.13Å; A590-L1662 WeakPolarHBondContact CA-O 3.32Å; L592-L1662 HydrophobicContact CD2-CD2 4.23Å; L592-L1662 WeakPolarHBondContact O-CD2 3.4Å; K593-L1662 HydrophobicContact CB-CB 3.43Å; K593-L1662 VanDerWaalsContact CB-CB 3.43Å; K593-L1662 HydrophobicContact CB-CD1 4.09Å; K593-L1662 HydrophobicContact CB-CD2 3.69Å; K593-L1662 HydrophobicContact CB-CG 3.81Å; K593-L1662 HydrophobicContact CD-CB 3.52Å; K593-L1662 HydrophobicContact CD-CD1 3.98Å; K593-L1662 HydrophobicContact CD-CG 4.29Å; K593-L1662 WeakPolarHBondContact CE-O 3.22Å; K593-L1662 HydrophobicContact CG-CB 3.5Å; K593-L1662 VanDerWaalsContact CG-CB 3.5Å; K593-L1662 HydrophobicContact CG-CD1 4.49Å; K593-L1662 HydrophobicContact CG-CG 4.35Å; I596-L1662 HydrophobicContact CD1-CD1 3.69Å; I596-L1662 HydrophobicContact CD1-CD2 4.41Å; I596-L1662 HydrophobicContact CG1-CD1 4.47Å; I596-L1662 HydrophobicContact CG1-CD2 4.35Å; M649-L1662 WeakPolarHBondContact O-CD2 3.49Å; L650-L1662 HydrophobicContact CD1-CD1 4.22Å; K652-L1662 HydrophobicContact CB-CD2 4.05Å; K652-L1662 WeakPolarHBondContact O-CD1 3.45Å; K652-L1662 WeakPolarHBondContact O-CD2 3.2Å; K652-L1662 WeakPolarHBondContact O-CG 3.22Å; L653-L1662 VanDerWaalsContact CA-CD1 3.47Å; L653-L1662 HydrophobicContact CB-CD1 3.23Å; L653-L1662 HydrophobicContact CD1-CB 4.37Å; L653-L1662 HydrophobicContact CD1-CD1 3.51Å; L653-L1662 HydrophobicContact CD1-CG 4.41Å; L653-L1662 HydrophobicContact CD2-CD1 4.15Å; L653-L1662 HydrophobicContact CG-CD1 3.73Å; I1648-L1662 HydrophobicContact CG2-CD2 3.67Å | ||
| 1663 | P | 45.2 | Very low | 58.5 | Low | 6 Ų | 6 | 28.5 Ų | 28.5 | 4% | 0.039 | 14% | 0.141 | C | C | . | . | 0 | -65.5 | 0 | 33.2 | -14.3 | 0 | 0 | 0 | 121.1 | A590 N591 L592 K593 C594 V683 | A590-P1663 WeakPolarHBondContact O-CA 3.48Å; A590-P1663 WeakPolarHBondContact O-CB 3.43Å; N591-P1663 VanDerWaalsContact C-CG 3.4Å; N591-P1663 VanDerWaalsContact CA-CG 3.48Å; N591-P1663 VanDerWaalsContact CA-N 3.31Å; N591-P1663 HydrophobicContact CB-CB 4.49Å; N591-P1663 HydrophobicContact CB-CG 4.44Å; N591-P1663 VanDerWaalsContact O-CD 3.31Å; N591-P1663 WeakPolarHBondContact O-CD 3.31Å; N591-P1663 VanDerWaalsContact O-CG 3.24Å; N591-P1663 WeakPolarHBondContact O-CG 3.48Å; N591-P1663 WeakPolarHBondContact OD1-CB 3.32Å; N591-P1663 WeakPolarHBondContact OD1-CG 3.38Å; L592-P1663 VanDerWaalsContact N-CD 3.26Å; K593-P1663 VanDerWaalsContact CA-CD 3.41Å; C594-P1663 HydrophobicContact CB-CG 3.67Å; V683-P1663 WeakPolarHBondContact CB-O 3.23Å; V683-P1663 WeakPolarHBondContact CG1-O 3.48Å; V683-P1663 WeakPolarHBondContact CG2-O 3.46Å; V683-P1663 PolarHBondContact N-O 2.88Å | |||
| 1664 | S | 41.7 | Very low | 57.5 | Low | 19 Ų | 19 | 28.1 Ų | 28.1 | 13% | 0.133 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -140.5 | 8.5 | -134.5 | 57.9 | 0 | 0 | 0 | 0 | 118.6 | K593 C594 V683 A684 K685 T686 | K593-S1664 PolarHBondContact O-N 2.64Å; C594-S1664 PolarHBondContact SG-OG 3.28Å; V683-S1664 CarbonylContact C-O 3.59Å; V683-S1664 VanDerWaalsContact CA-CA 3.44Å; V683-S1664 WeakPolarHBondContact CA-O 3.41Å; A684-S1664 VanDerWaalsContact N-C 3.26Å; A684-S1664 PolarHBondContact N-O 3.43Å; K685-S1664 CarbonylContact C-O 3.46Å; K685-S1664 PolarHBondContact N-O 3.41Å; T686-S1664 PolarHBondContact N-O 3Å; T686-S1664 PolarHBondContact OG1-O 2.79Å |
| 1665 | S | 40.8 | Very low | 57 | Low | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -97.7 | -15.5 | 167.7 | -90.7 | 0 | 0 | 0 | 0 | 125.5 | K593 C594 K595 S598 A684 T686 N687 | K593-S1665 WeakPolarHBondContact O-CB 3.4Å; K593-S1665 PolarHBondContact O-N 3.21Å; C594-S1665 PolarHBondContact O-OG 2.91Å; K595-S1665 WeakPolarHBondContact O-CB 3.47Å; K595-S1665 PolarHBondContact O-OG 3.4Å; S598-S1665 WeakPolarHBondContact CA-OG 3.42Å; S598-S1665 VanDerWaalsContact CB-OG 3.31Å; S598-S1665 WeakPolarHBondContact CB-OG 3.35Å; S598-S1665 VanDerWaalsContact N-CB 3.3Å; S598-S1665 PolarHBondContact N-OG 2.99Å; A684-S1665 WeakPolarHBondContact CA-O 3.37Å; A684-S1665 WeakPolarHBondContact CB-O 3.34Å; A684-S1665 PolarHBondContact N-O 3.43Å; A684-S1665 VanDerWaalsContact N-O 3.16Å; T686-S1665 WeakPolarHBondContact CB-OG 3.37Å; T686-S1665 WeakPolarHBondContact OG1-CA 3.39Å; T686-S1665 PolarHBondContact OG1-N 3.02Å; T686-S1665 PolarHBondContact OG1-OG 2.9Å; N687-S1665 WeakPolarHBondContact CB-O 3.37Å; N687-S1665 PolarHBondContact N-O 3.48Å; N687-S1665 VanDerWaalsContact N-O 3.14Å; N687-S1665 PolarHBondContact ND2-O 3.13Å; N687-S1665 PolarHBondContact OD1-O 3.02Å |
| 1666 | C | 47.6 | Very low | 56.9 | Low | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -101.2 | -73.1 | -170.5 | -49.5 | 0 | 0 | 0 | 0 | 119.5 | A597 V683 A684 K1668 R1669 V1747 | A597-C1666 VanDerWaalsContact CB-SG 3.53Å; V683-C1666 VanDerWaalsContact C-C 3.42Å; V683-C1666 VanDerWaalsContact CA-N 3.3Å; V683-C1666 HydrophobicContact CB-CB 3.84Å; V683-C1666 HydrophobicContact CG1-CB 3.69Å; V683-C1666 CarbonylContact O-C 3.55Å; A684-C1666 WeakPolarHBondContact CB-O 3.23Å; C1666-K1668 VanDerWaalsContact C-N 3.32Å; C1666-K1668 CarbonylContact O-C 3.08Å; C1666-K1668 PolarHBondContact O-N 2.63Å; C1666-R1669 WeakPolarHBondContact O-CB 3.49Å; C1666-R1669 WeakPolarHBondContact O-CG 3.4Å; C1666-R1669 PolarHBondContact O-N 3.26Å; C1666-V1747 HydrophobicContact CB-CG2 4.16Å |
| 1667 | T | 44.4 | Very low | 57.1 | Low | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -36.1 | -7.3 | -178.8 | 97.9 | 0 | 0 | 0 | 0 | 123.8 | C679 S680 T681 V683 R1669 L1670 D1671 V1747 | C679-T1667 WeakPolarHBondContact O-CG2 3.4Å; S680-T1667 WeakPolarHBondContact O-CB 3.49Å; S680-T1667 PolarHBondContact O-OG1 3.23Å; T681-T1667 WeakPolarHBondContact CA-OG1 3.46Å; T681-T1667 PolarHBondContact N-OG1 2.84Å; T681-T1667 VanDerWaalsContact N-OG1 3.12Å; T681-T1667 PolarHBondContact O-OG1 2.68Å; V683-T1667 VanDerWaalsContact C-N 3.28Å; V683-T1667 HydrophobicContact CB-CG2 3.16Å; V683-T1667 HydrophobicContact CG2-CG2 2.94Å; V683-T1667 CarbonylContact O-C 3.42Å; V683-T1667 WeakPolarHBondContact O-CA 3.27Å; V683-T1667 VanDerWaalsContact O-CB 3.24Å; V683-T1667 WeakPolarHBondContact O-CB 3.46Å; V683-T1667 WeakPolarHBondContact O-CG2 3.47Å; V683-T1667 PolarHBondContact O-N 3.24Å; V683-T1667 PolarHBondContact O-OG1 2.89Å; T1667-R1669 PolarHBondContact O-N 3.29Å; T1667-L1670 VanDerWaalsContact C-N 3.25Å; T1667-L1670 CarbonylContact O-C 3.51Å; T1667-L1670 VanDerWaalsContact O-CA 3.25Å; T1667-L1670 WeakPolarHBondContact O-CA 3.49Å; T1667-L1670 VanDerWaalsContact O-CB 3.28Å; T1667-L1670 WeakPolarHBondContact O-CB 3.4Å; T1667-L1670 PolarHBondContact O-N 2.99Å; T1667-D1671 PolarHBondContact O-N 3.2Å; T1667-V1747 HydrophobicContact CG2-CG1 4.43Å |
| 1668 | K | 47.4 | Very low | 56.4 | Low | 45 Ų | 45 | 24.1 Ų | 24.1 | 20% | 0.196 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.9 | -12.4 | 149.7 | -64.5 | -179.4 | -171.8 | 153.1 | 0 | 108.5 | V683 A684 H688 C1666 D1671 E1672 | V683-K1668 PolarHBondContact O-N 3.33Å; A684-K1668 HydrophobicContact CB-CB 3.36Å; A684-K1668 HydrophobicContact CB-CD 4.08Å; A684-K1668 HydrophobicContact CB-CG 3.62Å; A684-K1668 VanDerWaalsContact CB-N 3.29Å; A684-K1668 WeakPolarHBondContact O-CD 3.37Å; A684-K1668 WeakPolarHBondContact O-CE 3.41Å; A684-K1668 PolarHBondContact O-NZ 3.08Å; H688-K1668 HydrophobicContact CB-CD 3.81Å; C1666-K1668 VanDerWaalsContact C-N 3.32Å; C1666-K1668 CarbonylContact O-C 3.08Å; C1666-K1668 PolarHBondContact O-N 2.63Å; K1668-D1671 CarbonylContact O-C 3.5Å; K1668-D1671 PolarHBondContact O-N 3.01Å; K1668-E1672 VanDerWaalsContact O-CA 3.3Å; K1668-E1672 WeakPolarHBondContact O-CA 3.4Å; K1668-E1672 WeakPolarHBondContact O-CB 3.32Å; K1668-E1672 WeakPolarHBondContact O-CG 3.4Å; K1668-E1672 PolarHBondContact O-N 2.7Å |
| 1669 | R | 57.8 | Low | 56.3 | Low | 25 Ų | 25 | 29.8 Ų | 29.8 | 9% | 0.094 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.9 | -33.3 | 154.9 | -73.1 | 173.2 | 171 | -139.7 | -19.7 | 113.9 | C1666 T1667 L1673 L1740 | C1666-R1669 WeakPolarHBondContact O-CB 3.49Å; C1666-R1669 WeakPolarHBondContact O-CG 3.4Å; C1666-R1669 PolarHBondContact O-N 3.26Å; T1667-R1669 PolarHBondContact O-N 3.29Å; R1669-L1673 WeakPolarHBondContact O-CB 3.47Å; R1669-L1673 PolarHBondContact O-N 2.98Å; R1669-L1740 HydrophobicContact CB-CD2 4.46Å; R1669-L1740 HydrophobicContact CG-CD2 4.06Å |
| 1670 | L | 58.6 | Low | 56.4 | Low | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -76.6 | -42.4 | 166.3 | -73.8 | -137.8 | 0 | 0 | 0 | 112 | S680 T1667 E1672 L1673 A1674 A1744 L1748 L1751 F1759 | S680-L1670 WeakPolarHBondContact OG-CD1 3.38Å; S680-L1670 VanDerWaalsContact OG-CG 3.29Å; S680-L1670 WeakPolarHBondContact OG-CG 3.37Å; T1667-L1670 VanDerWaalsContact C-N 3.25Å; T1667-L1670 CarbonylContact O-C 3.51Å; T1667-L1670 VanDerWaalsContact O-CA 3.25Å; T1667-L1670 WeakPolarHBondContact O-CA 3.49Å; T1667-L1670 VanDerWaalsContact O-CB 3.28Å; T1667-L1670 WeakPolarHBondContact O-CB 3.4Å; T1667-L1670 PolarHBondContact O-N 2.99Å; L1670-E1672 VanDerWaalsContact C-N 3.25Å; L1670-E1672 PolarHBondContact O-N 3.4Å; L1670-L1673 PolarHBondContact O-N 3.08Å; L1670-A1674 VanDerWaalsContact O-CB 3.24Å; L1670-A1674 WeakPolarHBondContact O-CB 3.08Å; L1670-A1674 PolarHBondContact O-N 3.47Å; L1670-A1744 HydrophobicContact CD2-CB 3.97Å; L1670-L1748 HydrophobicContact CD1-CD2 4.35Å; L1670-L1748 HydrophobicContact CD2-CD2 4.25Å; L1670-L1748 HydrophobicContact CD2-CG 4.26Å; L1670-L1751 HydrophobicContact CD1-CD1 4.42Å; L1670-F1759 HydrophobicContact CB-CE2 3.78Å; L1670-F1759 HydrophobicContact CB-CZ 3.75Å; L1670-F1759 HydrophobicContact CD1-CD1 3.78Å; L1670-F1759 HydrophobicContact CD1-CD2 3.76Å; L1670-F1759 HydrophobicContact CD1-CE1 3.72Å; L1670-F1759 HydrophobicContact CD1-CE2 3.71Å; L1670-F1759 HydrophobicContact CD1-CG 3.8Å; L1670-F1759 HydrophobicContact CD1-CZ 3.69Å; L1670-F1759 HydrophobicContact CD2-CE1 4.18Å; L1670-F1759 HydrophobicContact CD2-CZ 4.2Å; L1670-F1759 HydrophobicContact CG-CE1 4.37Å; L1670-F1759 HydrophobicContact CG-CE2 4.32Å; L1670-F1759 HydrophobicContact CG-CZ 4.09Å; L1670-F1759 WeakPolarHBondContact O-CZ 3.02Å |
| 1671 | D | 52.2 | Low | 56.8 | Low | 76 Ų | 76 | 29.4 Ų | 29.4 | 41% | 0.406 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -62.8 | -35.1 | 171.4 | -82.6 | -37.8 | 0 | 0 | 0 | 111.1 | T1667 K1668 N1675 | T1667-D1671 PolarHBondContact O-N 3.2Å; K1668-D1671 CarbonylContact O-C 3.5Å; K1668-D1671 PolarHBondContact O-N 3.01Å; D1671-N1675 WeakPolarHBondContact O-CB 3.39Å; D1671-N1675 VanDerWaalsContact O-CG 3.26Å; D1671-N1675 PolarHBondContact O-N 3.31Å; D1671-N1675 PolarHBondContact O-ND2 3.41Å |
| 1672 | E | 56.1 | Low | 57.3 | Low | 74 Ų | 74 | 27.8 Ų | 27.8 | 35% | 0.346 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -71.6 | -44.4 | 176.1 | -78.1 | 150.2 | -162.6 | 0 | 0 | 109.2 | K1668 L1670 A1674 N1675 L1676 L1740 | K1668-E1672 VanDerWaalsContact O-CA 3.3Å; K1668-E1672 WeakPolarHBondContact O-CA 3.4Å; K1668-E1672 WeakPolarHBondContact O-CB 3.32Å; K1668-E1672 WeakPolarHBondContact O-CG 3.4Å; K1668-E1672 PolarHBondContact O-N 2.7Å; L1670-E1672 VanDerWaalsContact C-N 3.25Å; L1670-E1672 PolarHBondContact O-N 3.4Å; E1672-A1674 PolarHBondContact O-N 3Å; E1672-N1675 PolarHBondContact O-N 3.03Å; E1672-L1676 WeakPolarHBondContact O-CA 3.48Å; E1672-L1676 WeakPolarHBondContact O-CB 3.44Å; E1672-L1676 PolarHBondContact O-N 3.47Å; E1672-L1740 HydrophobicContact CB-CD1 4.43Å |
| 1673 | L | 65.1 | Low | 58.4 | Low | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.1 | -43.3 | 173 | -166.8 | 97.1 | 0 | 0 | 0 | 111 | R1669 L1670 L1676 K1677 L1737 L1740 H1741 F1759 | R1669-L1673 WeakPolarHBondContact O-CB 3.47Å; R1669-L1673 PolarHBondContact O-N 2.98Å; L1670-L1673 PolarHBondContact O-N 3.08Å; L1673-L1676 PolarHBondContact O-N 2.96Å; L1673-K1677 HydrophobicContact CD2-CD 4.41Å; L1673-K1677 HydrophobicContact CG-CD 4.41Å; L1673-K1677 VanDerWaalsContact O-CB 3.29Å; L1673-K1677 WeakPolarHBondContact O-CB 3.37Å; L1673-K1677 VanDerWaalsContact O-CG 3.27Å; L1673-K1677 WeakPolarHBondContact O-CG 3.49Å; L1673-K1677 PolarHBondContact O-N 3.07Å; L1673-L1737 HydrophobicContact CD1-CD1 3.71Å; L1673-L1737 HydrophobicContact CG-CD1 4.11Å; L1673-L1740 HydrophobicContact CD1-CB 4.19Å; L1673-H1741 HydrophobicContact CD1-CB 4.13Å; L1673-F1759 HydrophobicContact CD2-CE1 3.77Å; L1673-F1759 HydrophobicContact CD2-CZ 4.07Å |
| 1674 | A | 56 | Low | 59.9 | Low | 6 Ų | 6 | 35.1 Ų | 35.1 | 5% | 0.05 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.6 | -47.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1670 E1672 L1676 C1678 F1759 F1762 | L1670-A1674 VanDerWaalsContact O-CB 3.24Å; L1670-A1674 WeakPolarHBondContact O-CB 3.08Å; L1670-A1674 PolarHBondContact O-N 3.47Å; E1672-A1674 PolarHBondContact O-N 3Å; A1674-L1676 VanDerWaalsContact C-N 3.33Å; A1674-L1676 PolarHBondContact O-N 3.45Å; A1674-C1678 WeakPolarHBondContact O-CB 3.22Å; A1674-C1678 PolarHBondContact O-N 2.65Å; A1674-C1678 PolarHBondContact O-SG 2.93Å; A1674-F1759 HydrophobicContact CB-CE2 4.04Å; A1674-F1759 HydrophobicContact CB-CZ 4.17Å; A1674-F1762 HydrophobicContact CB-CE1 4.21Å |
| 1675 | N | 60.2 | Low | 61.4 | Low | 96 Ų | 96 | 34.6 Ų | 34.6 | 51% | 0.513 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.9 | -33.6 | 176 | -80.4 | -64.8 | 0 | 0 | 0 | 112.1 | D1671 E1672 C1678 K1679 | D1671-N1675 WeakPolarHBondContact O-CB 3.39Å; D1671-N1675 VanDerWaalsContact O-CG 3.26Å; D1671-N1675 PolarHBondContact O-N 3.31Å; D1671-N1675 PolarHBondContact O-ND2 3.41Å; E1672-N1675 PolarHBondContact O-N 3.03Å; N1675-C1678 CarbonylContact O-C 3.59Å; N1675-C1678 PolarHBondContact O-N 3.01Å; N1675-K1679 WeakPolarHBondContact O-CB 3.24Å; N1675-K1679 VanDerWaalsContact O-CG 3.27Å; N1675-K1679 WeakPolarHBondContact O-CG 3.4Å; N1675-K1679 PolarHBondContact O-N 2.89Å |
| 1676 | L | 68.7 | Low | 63 | Low | 16 Ų | 16 | 37 Ų | 37 | 8% | 0.084 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.6 | -44.8 | 178 | -173.5 | 60.4 | 0 | 0 | 0 | 110.7 | E1672 L1673 A1674 C1678 K1679 I1680 M1733 K1736 L1737 L1740 | E1672-L1676 WeakPolarHBondContact O-CA 3.48Å; E1672-L1676 WeakPolarHBondContact O-CB 3.44Å; E1672-L1676 PolarHBondContact O-N 3.47Å; L1673-L1676 PolarHBondContact O-N 2.96Å; A1674-L1676 VanDerWaalsContact C-N 3.33Å; A1674-L1676 PolarHBondContact O-N 3.45Å; L1676-C1678 PolarHBondContact O-N 3.3Å; L1676-K1679 HydrophobicContact CD1-CD 4.45Å; L1676-K1679 PolarHBondContact O-N 2.99Å; L1676-K1679 VanDerWaalsContact O-N 3.13Å; L1676-I1680 HydrophobicContact CD1-CD1 4.38Å; L1676-I1680 HydrophobicContact CD1-CG1 4.47Å; L1676-I1680 HydrophobicContact CG-CD1 3.99Å; L1676-I1680 WeakPolarHBondContact O-CB 3.34Å; L1676-I1680 VanDerWaalsContact O-CG1 3.27Å; L1676-I1680 WeakPolarHBondContact O-CG1 3.5Å; L1676-I1680 PolarHBondContact O-N 3.39Å; L1676-M1733 HydrophobicContact CD1-CB 3.78Å; L1676-M1733 HydrophobicContact CD1-CG 3.8Å; L1676-M1733 HydrophobicContact CD1-SD 4.04Å; L1676-K1736 HydrophobicContact CD2-CB 4.47Å; L1676-L1737 HydrophobicContact CD2-CB 3.95Å; L1676-L1737 HydrophobicContact CD2-CD1 4.12Å; L1676-L1737 HydrophobicContact CG-CB 4.44Å; L1676-L1737 HydrophobicContact CG-CD1 4.3Å; L1676-L1740 HydrophobicContact CD2-CD1 3.78Å |
| 1677 | K | 72.8 | Confident | 64.2 | Low | 40 Ų | 40 | 38.8 Ų | 38.8 | 17% | 0.174 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -54.8 | -40.5 | 167.8 | -74.6 | -179.6 | 179.6 | -176.6 | 0 | 110.8 | L1673 A1681 L1737 C1763 V1767 | L1673-K1677 HydrophobicContact CD2-CD 4.41Å; L1673-K1677 HydrophobicContact CG-CD 4.41Å; L1673-K1677 VanDerWaalsContact O-CB 3.29Å; L1673-K1677 WeakPolarHBondContact O-CB 3.37Å; L1673-K1677 VanDerWaalsContact O-CG 3.27Å; L1673-K1677 WeakPolarHBondContact O-CG 3.49Å; L1673-K1677 PolarHBondContact O-N 3.07Å; K1677-A1681 WeakPolarHBondContact O-CB 3.17Å; K1677-A1681 PolarHBondContact O-N 2.9Å; K1677-L1737 HydrophobicContact CG-CD1 3.78Å; K1677-L1737 HydrophobicContact CG-CD2 4.28Å; K1677-C1763 HydrophobicContact CD-CB 4.41Å; K1677-V1767 HydrophobicContact CB-CG2 4.13Å |
| 1678 | C | 61 | Low | 65.5 | Low | 12 Ų | 12 | 43.5 Ų | 43.5 | 8% | 0.081 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73 | -33.6 | 175.9 | -65.1 | 0 | 0 | 0 | 0 | 114.3 | A1674 N1675 L1676 S1682 V1766 | A1674-C1678 WeakPolarHBondContact O-CB 3.22Å; A1674-C1678 PolarHBondContact O-N 2.65Å; A1674-C1678 PolarHBondContact O-SG 2.93Å; N1675-C1678 CarbonylContact O-C 3.59Å; N1675-C1678 PolarHBondContact O-N 3.01Å; L1676-C1678 PolarHBondContact O-N 3.3Å; C1678-S1682 WeakPolarHBondContact O-CB 3.2Å; C1678-S1682 PolarHBondContact O-N 2.9Å; C1678-V1766 WeakPolarHBondContact SG-CG1 3.49Å |
| 1679 | K | 65.5 | Low | 66.8 | Low | 118 Ų | 118 | 43 Ų | 43 | 51% | 0.513 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64 | -55.8 | 170.8 | -77.5 | 170.4 | -179.6 | 178.7 | 0 | 109.9 | N1675 L1676 A1681 S1682 E1683 M1733 | N1675-K1679 WeakPolarHBondContact O-CB 3.24Å; N1675-K1679 VanDerWaalsContact O-CG 3.27Å; N1675-K1679 WeakPolarHBondContact O-CG 3.4Å; N1675-K1679 PolarHBondContact O-N 2.89Å; L1676-K1679 HydrophobicContact CD1-CD 4.45Å; L1676-K1679 PolarHBondContact O-N 2.99Å; L1676-K1679 VanDerWaalsContact O-N 3.13Å; K1679-A1681 VanDerWaalsContact C-N 3.27Å; K1679-A1681 PolarHBondContact O-N 3.37Å; K1679-S1682 CarbonylContact O-C 3.27Å; K1679-S1682 WeakPolarHBondContact O-CA 3.45Å; K1679-S1682 PolarHBondContact O-N 2.9Å; K1679-E1683 WeakPolarHBondContact O-CG 3.29Å; K1679-E1683 PolarHBondContact O-N 3.49Å; K1679-M1733 HydrophobicContact CB-SD 3.72Å; K1679-M1733 HydrophobicContact CD-SD 4.31Å |
| 1680 | I | 71.4 | Confident | 67.5 | Low | 17 Ų | 17 | 42.3 Ų | 42.3 | 9% | 0.087 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -52.9 | -46 | 177.8 | -67.2 | 163.3 | 0 | 0 | 0 | 110.8 | L1676 E1683 K1684 M1733 L1737 | L1676-I1680 HydrophobicContact CD1-CD1 4.38Å; L1676-I1680 HydrophobicContact CD1-CG1 4.47Å; L1676-I1680 HydrophobicContact CG-CD1 3.99Å; L1676-I1680 WeakPolarHBondContact O-CB 3.34Å; L1676-I1680 VanDerWaalsContact O-CG1 3.27Å; L1676-I1680 WeakPolarHBondContact O-CG1 3.5Å; L1676-I1680 PolarHBondContact O-N 3.39Å; I1680-E1683 PolarHBondContact O-N 3.45Å; I1680-K1684 WeakPolarHBondContact O-CB 3.4Å; I1680-K1684 PolarHBondContact O-N 3.45Å; I1680-M1733 HydrophobicContact CD1-CB 4.08Å; I1680-M1733 WeakPolarHBondContact CD1-O 3.39Å; I1680-M1733 HydrophobicContact CG1-CB 3.59Å; I1680-M1733 HydrophobicContact CG1-SD 4.44Å; I1680-L1737 HydrophobicContact CD1-CB 3.88Å; I1680-L1737 HydrophobicContact CD1-CD1 4.48Å; I1680-L1737 HydrophobicContact CD1-CD2 3.78Å; I1680-L1737 HydrophobicContact CD1-CG 4.25Å |
| 1681 | A | 71.6 | Confident | 68.3 | Low | 11 Ų | 11 | 48.8 Ų | 48.8 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1677 K1679 E1683 K1684 V1685 V1767 N1771 | K1677-A1681 WeakPolarHBondContact O-CB 3.17Å; K1677-A1681 PolarHBondContact O-N 2.9Å; K1679-A1681 VanDerWaalsContact C-N 3.27Å; K1679-A1681 PolarHBondContact O-N 3.37Å; A1681-E1683 PolarHBondContact O-N 3.26Å; A1681-K1684 PolarHBondContact O-N 2.93Å; A1681-V1685 WeakPolarHBondContact O-CG2 3.33Å; A1681-V1685 PolarHBondContact O-N 3.42Å; A1681-V1767 HydrophobicContact CB-CB 4.4Å; A1681-V1767 HydrophobicContact CB-CG1 3.72Å; A1681-V1767 HydrophobicContact CB-CG2 4.17Å; A1681-N1771 VanDerWaalsContact CB-OD1 3.28Å; A1681-N1771 WeakPolarHBondContact CB-OD1 3.23Å; A1681-N1771 PolarHBondContact O-OD1 3.19Å |
| 1682 | S | 66.4 | Low | 68.8 | Low | 19 Ų | 19 | 48.5 Ų | 48.5 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.3 | -29.1 | 174.7 | -168.9 | 0 | 0 | 0 | 0 | 114 | C1678 K1679 K1686 T1774 | C1678-S1682 WeakPolarHBondContact O-CB 3.2Å; C1678-S1682 PolarHBondContact O-N 2.9Å; K1679-S1682 CarbonylContact O-C 3.27Å; K1679-S1682 WeakPolarHBondContact O-CA 3.45Å; K1679-S1682 PolarHBondContact O-N 2.9Å; S1682-K1686 VanDerWaalsContact O-CG 3.29Å; S1682-K1686 WeakPolarHBondContact O-CG 3.37Å; S1682-K1686 PolarHBondContact O-N 2.96Å; S1682-T1774 PolarHBondContact OG-OG1 3Å; S1682-T1774 VanDerWaalsContact OG-OG1 3.13Å |
| 1683 | E | 77.2 | Confident | 69.2 | Low | 24 Ų | 24 | 45.2 Ų | 45.2 | 11% | 0.112 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -77.7 | -40.8 | 174.7 | -61.2 | -41.5 | 122.5 | 0 | 0 | 111 | K1679 I1680 A1681 V1685 K1686 L1687 H1726 C1730 | K1679-E1683 WeakPolarHBondContact O-CG 3.29Å; K1679-E1683 PolarHBondContact O-N 3.49Å; I1680-E1683 PolarHBondContact O-N 3.45Å; A1681-E1683 PolarHBondContact O-N 3.26Å; E1683-V1685 VanDerWaalsContact C-N 3.34Å; E1683-V1685 PolarHBondContact O-N 3.22Å; E1683-K1686 WeakPolarHBondContact O-CB 3.33Å; E1683-K1686 PolarHBondContact O-N 2.83Å; E1683-K1686 VanDerWaalsContact O-N 3.12Å; E1683-K1686 IonicContact OE1-NZ 2.76Å; E1683-K1686 PolarHBondContact OE1-NZ 3.14Å; E1683-K1686 VanDerWaalsContact OE2-CD 3.32Å; E1683-K1686 WeakPolarHBondContact OE2-CD 3.17Å; E1683-K1686 IonicContact OE2-NZ 2.77Å; E1683-K1686 PolarHBondContact OE2-NZ 3.42Å; E1683-L1687 WeakPolarHBondContact O-CB 3.43Å; E1683-L1687 PolarHBondContact O-N 3.3Å; E1683-H1726 IonicContact OE2-CE1 3.95Å; E1683-H1726 PolarHBondContact OE2-CE1 3.45Å; E1683-H1726 IonicContact OE2-ND1 3.2Å; E1683-H1726 PolarHBondContact OE2-ND1 3.45Å; E1683-C1730 VanDerWaalsContact CB-SG 3.56Å |
| 1684 | K | 76.3 | Confident | 69.2 | Low | 135 Ų | 135 | 47.3 Ų | 47.3 | 59% | 0.587 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -55.9 | -46.3 | 170.6 | -79.4 | -165.7 | 173.9 | -167.9 | 0 | 111.6 | I1680 A1681 K1686 L1687 E1688 | I1680-K1684 WeakPolarHBondContact O-CB 3.4Å; I1680-K1684 PolarHBondContact O-N 3.45Å; A1681-K1684 PolarHBondContact O-N 2.93Å; K1684-K1686 VanDerWaalsContact C-N 3.32Å; K1684-K1686 PolarHBondContact O-N 3.19Å; K1684-L1687 PolarHBondContact O-N 2.89Å; K1684-E1688 WeakPolarHBondContact O-CB 3.22Å; K1684-E1688 PolarHBondContact O-N 3.19Å |
| 1685 | V | 72.3 | Confident | 69.6 | Low | 8 Ų | 8 | 51.4 Ų | 51.4 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.4 | -31.4 | 177.4 | 169.2 | 0 | 0 | 0 | 0 | 112.9 | A1681 E1683 F1689 N1771 T1774 K1775 L1778 | A1681-V1685 WeakPolarHBondContact O-CG2 3.33Å; A1681-V1685 PolarHBondContact O-N 3.42Å; E1683-V1685 VanDerWaalsContact C-N 3.34Å; E1683-V1685 PolarHBondContact O-N 3.22Å; V1685-F1689 VanDerWaalsContact O-CB 3.28Å; V1685-F1689 WeakPolarHBondContact O-CB 2.91Å; V1685-F1689 PolarHBondContact O-N 2.65Å; V1685-N1771 HydrophobicContact CG2-CB 3.96Å; V1685-N1771 WeakPolarHBondContact CG2-OD1 3.31Å; V1685-T1774 HydrophobicContact CB-CG2 4.28Å; V1685-T1774 HydrophobicContact CG1-CG2 3.72Å; V1685-K1775 HydrophobicContact CG1-CD 4.42Å; V1685-K1775 HydrophobicContact CG1-CG 3.5Å; V1685-K1775 VanDerWaalsContact CG1-CG 3.5Å; V1685-L1778 HydrophobicContact CG1-CD1 4.33Å |
| 1686 | K | 74.2 | Confident | 69.6 | Low | 52 Ų | 52 | 49.9 Ų | 49.9 | 23% | 0.226 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.4 | -45.4 | 171.5 | -72.1 | 168.4 | -167.3 | 170.9 | 0 | 111.6 | S1682 E1683 K1684 E1688 F1689 Y1690 L1778 | S1682-K1686 VanDerWaalsContact O-CG 3.29Å; S1682-K1686 WeakPolarHBondContact O-CG 3.37Å; S1682-K1686 PolarHBondContact O-N 2.96Å; E1683-K1686 WeakPolarHBondContact O-CB 3.33Å; E1683-K1686 PolarHBondContact O-N 2.83Å; E1683-K1686 VanDerWaalsContact O-N 3.12Å; E1683-K1686 IonicContact OE1-NZ 2.76Å; E1683-K1686 PolarHBondContact OE1-NZ 3.14Å; E1683-K1686 VanDerWaalsContact OE2-CD 3.32Å; E1683-K1686 WeakPolarHBondContact OE2-CD 3.17Å; E1683-K1686 IonicContact OE2-NZ 2.77Å; E1683-K1686 PolarHBondContact OE2-NZ 3.42Å; K1684-K1686 VanDerWaalsContact C-N 3.32Å; K1684-K1686 PolarHBondContact O-N 3.19Å; K1686-E1688 VanDerWaalsContact C-N 3.29Å; K1686-E1688 PolarHBondContact O-N 2.91Å; K1686-F1689 PolarHBondContact O-N 2.84Å; K1686-Y1690 HydrophobicContact CB-CD2 4.28Å; K1686-Y1690 HydrophobicContact CB-CE2 4.01Å; K1686-Y1690 WeakPolarHBondContact O-CD2 3.24Å; K1686-Y1690 PolarHBondContact O-N 3.46Å; K1686-L1778 HydrophobicContact CG-CD1 4.47Å |
| 1687 | L | 73.7 | Confident | 68.9 | Low | 36 Ų | 36 | 54.9 Ų | 54.9 | 19% | 0.188 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.2 | -44.5 | 178.8 | -178.6 | 66.3 | 0 | 0 | 0 | 110.6 | E1683 K1684 Y1690 K1691 A1723 H1726 | E1683-L1687 WeakPolarHBondContact O-CB 3.43Å; E1683-L1687 PolarHBondContact O-N 3.3Å; K1684-L1687 PolarHBondContact O-N 2.89Å; L1687-Y1690 PolarHBondContact O-N 2.86Å; L1687-K1691 WeakPolarHBondContact O-CG 3.29Å; L1687-K1691 PolarHBondContact O-N 2.86Å; L1687-A1723 HydrophobicContact CD1-CB 4.24Å; L1687-A1723 WeakPolarHBondContact CD1-O 3.06Å; L1687-H1726 HydrophobicContact CD1-CB 4.31Å |
| 1688 | E | 71.9 | Confident | 68.2 | Low | 101 Ų | 101 | 56 Ų | 56 | 47% | 0.472 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 175.2 | -171.5 | 171.8 | -99.3 | 0 | 0 | 112.2 | K1684 K1686 Y1690 K1691 T1692 K1775 | K1684-E1688 WeakPolarHBondContact O-CB 3.22Å; K1684-E1688 PolarHBondContact O-N 3.19Å; K1686-E1688 VanDerWaalsContact C-N 3.29Å; K1686-E1688 PolarHBondContact O-N 2.91Å; E1688-Y1690 PolarHBondContact O-N 2.69Å; E1688-K1691 WeakPolarHBondContact O-CB 3.46Å; E1688-K1691 PolarHBondContact O-N 2.56Å; E1688-T1692 PolarHBondContact O-N 2.62Å; E1688-T1692 PolarHBondContact O-OG1 2.76Å; E1688-T1692 VanDerWaalsContact O-OG1 3.11Å; E1688-K1775 IonicContact OE2-NZ 2.62Å; E1688-K1775 PolarHBondContact OE2-NZ 3.38Å |
| 1689 | F | 73.8 | Confident | 68.2 | Low | 33 Ų | 33 | 58.4 Ų | 58.4 | 15% | 0.145 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 173.3 | 173.7 | -99.9 | 0 | 0 | 0 | 112.9 | V1685 K1686 T1692 C1693 P1700 L1778 L1782 | V1685-F1689 VanDerWaalsContact O-CB 3.28Å; V1685-F1689 WeakPolarHBondContact O-CB 2.91Å; V1685-F1689 PolarHBondContact O-N 2.65Å; K1686-F1689 PolarHBondContact O-N 2.84Å; F1689-T1692 WeakPolarHBondContact O-CB 3.46Å; F1689-T1692 PolarHBondContact O-N 3.46Å; F1689-C1693 PolarHBondContact O-N 3.24Å; F1689-C1693 PolarHBondContact O-SG 2.73Å; F1689-P1700 HydrophobicContact CE1-CB 3.94Å; F1689-P1700 HydrophobicContact CE1-CG 4.01Å; F1689-P1700 HydrophobicContact CZ-CB 4.01Å; F1689-P1700 HydrophobicContact CZ-CG 4.49Å; F1689-L1778 HydrophobicContact CB-CD1 3.8Å; F1689-L1778 HydrophobicContact CD1-CB 4.18Å; F1689-L1778 HydrophobicContact CD1-CD1 3.99Å; F1689-L1778 HydrophobicContact CD1-CD2 3.87Å; F1689-L1778 HydrophobicContact CD1-CG 4.22Å; F1689-L1778 HydrophobicContact CD2-CB 3.84Å; F1689-L1778 HydrophobicContact CD2-CD1 4.33Å; F1689-L1778 HydrophobicContact CE1-CB 4.13Å; F1689-L1778 HydrophobicContact CE1-CD2 3.89Å; F1689-L1778 HydrophobicContact CE1-CG 4.43Å; F1689-L1778 HydrophobicContact CE2-CB 3.79Å; F1689-L1778 HydrophobicContact CG-CB 4.04Å; F1689-L1778 HydrophobicContact CG-CD1 3.78Å; F1689-L1778 HydrophobicContact CG-CD2 4.43Å; F1689-L1778 HydrophobicContact CG-CG 4.29Å; F1689-L1778 HydrophobicContact CZ-CB 3.93Å; F1689-L1778 HydrophobicContact CZ-CD2 4.47Å; F1689-L1782 HydrophobicContact CE2-CD2 4.38Å; F1689-L1782 HydrophobicContact CZ-CD2 4.29Å |
| 1690 | Y | 73.3 | Confident | 68.1 | Low | 12 Ų | 12 | 52.8 Ų | 52.8 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70 | -33.4 | 175.5 | -66.8 | -50.8 | 0 | 0 | 0 | 112.3 | K1686 L1687 E1688 T1692 C1693 I1694 P1700 H1702 L1719 L1722 H1726 | K1686-Y1690 HydrophobicContact CB-CD2 4.28Å; K1686-Y1690 HydrophobicContact CB-CE2 4.01Å; K1686-Y1690 WeakPolarHBondContact O-CD2 3.24Å; K1686-Y1690 PolarHBondContact O-N 3.46Å; L1687-Y1690 PolarHBondContact O-N 2.86Å; E1688-Y1690 PolarHBondContact O-N 2.69Å; Y1690-T1692 VanDerWaalsContact C-N 3.33Å; Y1690-C1693 PolarHBondContact O-N 2.74Å; Y1690-I1694 VanDerWaalsContact O-CG1 3.28Å; Y1690-I1694 WeakPolarHBondContact O-CG1 3.26Å; Y1690-I1694 PolarHBondContact O-N 3.03Å; Y1690-P1700 HydrophobicContact CE1-CG 4.38Å; Y1690-H1702 AromaticContact CE1-NE2 3.61Å; Y1690-H1702 AromaticContact CZ-NE2 3.65Å; Y1690-H1702 PolarHBondContact OH-CD2 2.85Å; Y1690-H1702 PolarHBondContact OH-NE2 2.68Å; Y1690-L1719 HydrophobicContact CD1-CD2 4.05Å; Y1690-L1722 HydrophobicContact CD1-CD2 4.5Å; Y1690-L1722 HydrophobicContact CE1-CD2 3.88Å; Y1690-L1722 HydrophobicContact CE2-CD2 4.07Å; Y1690-L1722 HydrophobicContact CE2-CG 4.4Å; Y1690-H1726 AromaticContact CD2-CD2 3.94Å; Y1690-H1726 AromaticContact CE2-CD2 3.52Å; Y1690-H1726 AromaticContact CE2-NE2 3.55Å |
| 1691 | K | 74 | Confident | 67.3 | Low | 138 Ų | 138 | 54.9 Ų | 54.9 | 60% | 0.6 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -58.7 | -44.8 | 167.7 | -76.6 | -177.1 | 171.9 | -163.1 | 0 | 111 | L1687 E1688 I1694 S1695 | L1687-K1691 WeakPolarHBondContact O-CG 3.29Å; L1687-K1691 PolarHBondContact O-N 2.86Å; E1688-K1691 WeakPolarHBondContact O-CB 3.46Å; E1688-K1691 PolarHBondContact O-N 2.56Å; K1691-I1694 PolarHBondContact O-N 3.17Å; K1691-S1695 PolarHBondContact O-N 3.24Å; K1691-S1695 PolarHBondContact O-OG 2.81Å |
| 1692 | T | 64.1 | Low | 66.7 | Low | 71 Ų | 71 | 57 Ų | 57 | 44% | 0.436 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 174.2 | -46 | 0 | 0 | 0 | 0 | 111.8 | E1688 F1689 Y1690 I1694 S1695 T1696 | E1688-T1692 PolarHBondContact O-N 2.62Å; E1688-T1692 PolarHBondContact O-OG1 2.76Å; E1688-T1692 VanDerWaalsContact O-OG1 3.11Å; F1689-T1692 WeakPolarHBondContact O-CB 3.46Å; F1689-T1692 PolarHBondContact O-N 3.46Å; Y1690-T1692 VanDerWaalsContact C-N 3.33Å; T1692-I1694 VanDerWaalsContact C-N 3.25Å; T1692-I1694 PolarHBondContact O-N 2.89Å; T1692-S1695 WeakPolarHBondContact CA-OG 3.39Å; T1692-S1695 PolarHBondContact O-N 3.14Å; T1692-S1695 PolarHBondContact O-OG 3.26Å; T1692-S1695 VanDerWaalsContact O-OG 3.09Å; T1692-T1696 HydrophobicContact CG2-CG2 4.19Å; T1692-T1696 WeakPolarHBondContact O-CG2 3.43Å; T1692-T1696 PolarHBondContact O-N 2.84Å; T1692-T1696 PolarHBondContact O-OG1 3.45Å |
| 1693 | C | 63.5 | Low | 66.3 | Low | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.034 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.4 | -30.5 | 175.1 | -73.3 | 0 | 0 | 0 | 0 | 113.6 | F1689 Y1690 H1697 I1698 L1719 | F1689-C1693 PolarHBondContact O-N 3.24Å; F1689-C1693 PolarHBondContact O-SG 2.73Å; Y1690-C1693 PolarHBondContact O-N 2.74Å; C1693-H1697 CarbonylContact O-C 3.47Å; C1693-H1697 VanDerWaalsContact O-CA 3.3Å; C1693-H1697 WeakPolarHBondContact O-CA 2.24Å; C1693-H1697 PolarHBondContact O-N 3.5Å; C1693-H1697 VanDerWaalsContact O-N 3.08Å; C1693-I1698 VanDerWaalsContact CB-O 3.31Å; C1693-I1698 WeakPolarHBondContact CB-O 3.13Å; C1693-I1698 PolarHBondContact O-N 3.38Å; C1693-I1698 PolarHBondContact SG-O 3.05Å; C1693-L1719 HydrophobicContact CB-CD2 3.9Å |
| 1694 | I | 65.8 | Low | 65.1 | Low | 44 Ų | 44 | 59 Ų | 59 | 23% | 0.226 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.4 | -50.4 | 172.1 | -69 | 164.2 | 0 | 0 | 0 | 109.5 | Y1690 K1691 T1692 T1696 H1697 V1716 L1719 L1720 A1723 | Y1690-I1694 VanDerWaalsContact O-CG1 3.28Å; Y1690-I1694 WeakPolarHBondContact O-CG1 3.26Å; Y1690-I1694 PolarHBondContact O-N 3.03Å; K1691-I1694 PolarHBondContact O-N 3.17Å; T1692-I1694 VanDerWaalsContact C-N 3.25Å; T1692-I1694 PolarHBondContact O-N 2.89Å; I1694-T1696 VanDerWaalsContact C-N 3.31Å; I1694-T1696 PolarHBondContact O-N 3.26Å; I1694-H1697 PolarHBondContact O-N 3.03Å; I1694-V1716 HydrophobicContact CG2-CG1 4.35Å; I1694-L1719 HydrophobicContact CD1-CD2 4.48Å; I1694-L1719 HydrophobicContact CG1-CB 4.33Å; I1694-L1719 HydrophobicContact CG1-CD2 3.87Å; I1694-L1720 HydrophobicContact CD1-CD2 4.21Å; I1694-L1720 HydrophobicContact CD1-CG 4.27Å; I1694-A1723 HydrophobicContact CD1-CB 4.41Å |
| 1695 | S | 63 | Low | 63.8 | Low | 91 Ų | 91 | 60.2 Ų | 60.2 | 64% | 0.636 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -71.2 | -19.3 | -176.6 | 64.6 | 0 | 0 | 0 | 0 | 114.8 | K1691 T1692 | K1691-S1695 PolarHBondContact O-N 3.24Å; K1691-S1695 PolarHBondContact O-OG 2.81Å; T1692-S1695 WeakPolarHBondContact CA-OG 3.39Å; T1692-S1695 PolarHBondContact O-N 3.14Å; T1692-S1695 PolarHBondContact O-OG 3.26Å; T1692-S1695 VanDerWaalsContact O-OG 3.09Å |
| 1696 | T | 60.4 | Low | 62.8 | Low | 65 Ų | 65 | 63.9 Ų | 63.9 | 40% | 0.399 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 3.1 | 176.7 | 75 | 0 | 0 | 0 | 0 | 113.7 | T1692 I1694 I1698 | T1692-T1696 HydrophobicContact CG2-CG2 4.19Å; T1692-T1696 WeakPolarHBondContact O-CG2 3.43Å; T1692-T1696 PolarHBondContact O-N 2.84Å; T1692-T1696 PolarHBondContact O-OG1 3.45Å; I1694-T1696 VanDerWaalsContact C-N 3.31Å; I1694-T1696 PolarHBondContact O-N 3.26Å; T1696-I1698 WeakPolarHBondContact O-CG1 2.71Å; T1696-I1698 PolarHBondContact O-N 3.27Å; T1696-I1698 WeakPolarHBondContact OG1-CD1 2.24Å; T1696-I1698 WeakPolarHBondContact OG1-CG1 2.26Å |
| 1697 | H | 54.5 | Low | 61.5 | Low | 121 Ų | 121 | 61.7 Ų | 61.7 | 56% | 0.56 | 30% | 0.298 | S | S | * | . | trans | 55.8 | 16.1 | -175.9 | -66.5 | -105.5 | 0 | 0 | 0 | 116.4 | C1693 I1694 F1699 | C1693-H1697 CarbonylContact O-C 3.47Å; C1693-H1697 VanDerWaalsContact O-CA 3.3Å; C1693-H1697 WeakPolarHBondContact O-CA 2.24Å; C1693-H1697 PolarHBondContact O-N 3.5Å; C1693-H1697 VanDerWaalsContact O-N 3.08Å; I1694-H1697 PolarHBondContact O-N 3.03Å; H1697-F1699 WeakPolarHBondContact O-CD2 2.23Å; H1697-F1699 VanDerWaalsContact O-CE2 3.28Å; H1697-F1699 WeakPolarHBondContact O-CE2 3.43Å | ||
| 1698 | I | 59.2 | Low | 60 | Low | 62 Ų | 62 | 66 Ų | 66 | 32% | 0.318 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 120.5 | -176.3 | -62.8 | 170.7 | 0 | 0 | 0 | 112.1 | C1693 T1696 L1782 | C1693-I1698 VanDerWaalsContact CB-O 3.31Å; C1693-I1698 WeakPolarHBondContact CB-O 3.13Å; C1693-I1698 PolarHBondContact O-N 3.38Å; C1693-I1698 PolarHBondContact SG-O 3.05Å; T1696-I1698 WeakPolarHBondContact O-CG1 2.71Å; T1696-I1698 PolarHBondContact O-N 3.27Å; T1696-I1698 WeakPolarHBondContact OG1-CD1 2.24Å; T1696-I1698 WeakPolarHBondContact OG1-CG1 2.26Å; I1698-L1782 HydrophobicContact CG2-CD2 3.84Å |
| 1699 | F | 60.2 | Low | 58.6 | Low | 63 Ų | 63 | 65.2 Ų | 65.2 | 28% | 0.276 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -91.8 | 118.6 | -176.7 | -60.3 | -76.6 | 0 | 0 | 0 | 113.8 | H1697 L1703 Y1704 L1719 | H1697-F1699 WeakPolarHBondContact O-CD2 2.23Å; H1697-F1699 VanDerWaalsContact O-CE2 3.28Å; H1697-F1699 WeakPolarHBondContact O-CE2 3.43Å; F1699-L1703 HydrophobicContact CB-CD2 4.47Å; F1699-L1703 HydrophobicContact CD1-CD2 3.72Å; F1699-Y1704 HydrophobicContact CB-CE2 4.13Å; F1699-L1719 HydrophobicContact CD1-CD1 3.58Å; F1699-L1719 HydrophobicContact CE1-CD1 3.67Å |
| 1700 | P | 62.8 | Low | 57.2 | Low | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 147.8 | -175.2 | 33 | -36.1 | 0 | 0 | 0 | 113.6 | F1689 Y1690 H1702 L1703 | F1689-P1700 HydrophobicContact CE1-CB 3.94Å; F1689-P1700 HydrophobicContact CE1-CG 4.01Å; F1689-P1700 HydrophobicContact CZ-CB 4.01Å; F1689-P1700 HydrophobicContact CZ-CG 4.49Å; Y1690-P1700 HydrophobicContact CE1-CG 4.38Å; P1700-H1702 PolarHBondContact O-N 3.41Å; P1700-L1703 HydrophobicContact CG-CB 4.12Å; P1700-L1703 VanDerWaalsContact O-CB 3.28Å; P1700-L1703 WeakPolarHBondContact O-CB 3.29Å; P1700-L1703 PolarHBondContact O-N 3.17Å |
| 1701 | R | 55.2 | Low | 55.9 | Low | 62 Ų | 62 | 77 Ų | 77 | 23% | 0.234 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | -27.2 | -175.6 | -157.5 | -179.3 | -158.1 | 175.9 | 11 | 115.7 | S1167 T1781 V1783 | S1167-R1701 PolarHBondContact O-NH1 2.81Å; S1167-R1701 VanDerWaalsContact O-NH1 3.07Å; R1701-T1781 HydrophobicContact CB-CG2 4.26Å; R1701-T1781 WeakPolarHBondContact CB-O 3.29Å; R1701-T1781 PolarHBondContact N-O 3.49Å; R1701-V1783 HydrophobicContact CB-CG2 3.77Å; R1701-V1783 HydrophobicContact CG-CG2 3.77Å |
| 1702 | H | 58 | Low | 54.5 | Low | 55 Ų | 55 | 73.6 Ų | 73.6 | 26% | 0.255 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -19.6 | 178.8 | 61.1 | -91.3 | 0 | 0 | 0 | 114.1 | Y1690 P1700 K1705 F1706 T1781 | Y1690-H1702 AromaticContact CE1-NE2 3.61Å; Y1690-H1702 AromaticContact CZ-NE2 3.65Å; Y1690-H1702 PolarHBondContact OH-CD2 2.85Å; Y1690-H1702 PolarHBondContact OH-NE2 2.68Å; P1700-H1702 PolarHBondContact O-N 3.41Å; H1702-K1705 WeakPolarHBondContact O-CA 3.12Å; H1702-K1705 WeakPolarHBondContact O-CB 3.27Å; H1702-K1705 PolarHBondContact O-N 3.29Å; H1702-F1706 PolarHBondContact O-N 3.45Å; H1702-T1781 PolarHBondContact ND1-OG1 3.38Å |
| 1703 | L | 58.7 | Low | 53.8 | Low | 3 Ų | 3 | 77.7 Ų | 77.7 | 2% | 0.016 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.7 | -49.3 | 172.8 | -177 | 71 | 0 | 0 | 0 | 109.7 | F1699 P1700 K1705 F1706 L1707 L1719 L1722 | F1699-L1703 HydrophobicContact CB-CD2 4.47Å; F1699-L1703 HydrophobicContact CD1-CD2 3.72Å; P1700-L1703 HydrophobicContact CG-CB 4.12Å; P1700-L1703 VanDerWaalsContact O-CB 3.28Å; P1700-L1703 WeakPolarHBondContact O-CB 3.29Å; P1700-L1703 PolarHBondContact O-N 3.17Å; L1703-K1705 PolarHBondContact O-N 3.04Å; L1703-F1706 WeakPolarHBondContact O-CA 3.33Å; L1703-F1706 WeakPolarHBondContact O-CB 3.33Å; L1703-F1706 PolarHBondContact O-N 3.05Å; L1703-L1707 HydrophobicContact CD2-CD1 4.21Å; L1703-L1707 HydrophobicContact CG-CD1 3.8Å; L1703-L1707 HydrophobicContact CG-CG 4.15Å; L1703-L1707 WeakPolarHBondContact O-CB 3.4Å; L1703-L1707 VanDerWaalsContact O-CG 3.31Å; L1703-L1707 WeakPolarHBondContact O-CG 3.39Å; L1703-L1707 PolarHBondContact O-N 3.02Å; L1703-L1719 HydrophobicContact CD2-CD1 3.73Å; L1703-L1719 HydrophobicContact CD2-CG 4.31Å; L1703-L1722 HydrophobicContact CD1-CD2 3.89Å |
| 1704 | Y | 52.8 | Low | 53.3 | Low | 81 Ų | 81 | 80.1 Ų | 80.1 | 32% | 0.318 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -53.1 | -24.6 | 172.1 | -62.7 | -84.8 | 0 | 0 | 0 | 113.9 | F1699 R1708 P1714 | F1699-Y1704 HydrophobicContact CB-CE2 4.13Å; Y1704-R1708 VanDerWaalsContact O-CB 3.29Å; Y1704-R1708 WeakPolarHBondContact O-CB 3.11Å; Y1704-R1708 VanDerWaalsContact O-CD 3.28Å; Y1704-R1708 WeakPolarHBondContact O-CD 3.49Å; Y1704-R1708 WeakPolarHBondContact O-CG 3.28Å; Y1704-R1708 PolarHBondContact O-N 3.31Å; Y1704-R1708 VanDerWaalsContact O-N 3.12Å; Y1704-P1714 HydrophobicContact CE1-CB 4.35Å; Y1704-P1714 HydrophobicContact CE1-CG 4.18Å |
| 1705 | K | 47.9 | Very low | 53.2 | Low | 161 Ų | 161 | 81.2 Ų | 81.2 | 70% | 0.7 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -81 | -36.3 | 175.7 | -159.7 | -178.1 | -179.5 | -171.3 | 0 | 112.6 | H1702 L1703 S1709 | H1702-K1705 WeakPolarHBondContact O-CA 3.12Å; H1702-K1705 WeakPolarHBondContact O-CB 3.27Å; H1702-K1705 PolarHBondContact O-N 3.29Å; L1703-K1705 PolarHBondContact O-N 3.04Å; K1705-S1709 PolarHBondContact O-N 3.36Å; K1705-S1709 PolarHBondContact O-OG 3.36Å |
| 1706 | F | 51.4 | Low | 53.2 | Low | 85 Ų | 85 | 79.2 Ų | 79.2 | 37% | 0.373 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -70.4 | -40 | 172.3 | 173.9 | -96.2 | 0 | 0 | 0 | 111.8 | H1702 L1703 S1709 N1710 L1722 | H1702-F1706 PolarHBondContact O-N 3.45Å; L1703-F1706 WeakPolarHBondContact O-CA 3.33Å; L1703-F1706 WeakPolarHBondContact O-CB 3.33Å; L1703-F1706 PolarHBondContact O-N 3.05Å; F1706-S1709 PolarHBondContact O-N 2.83Å; F1706-S1709 PolarHBondContact O-OG 3.28Å; F1706-N1710 VanDerWaalsContact CE2-ND2 3.34Å; F1706-N1710 WeakPolarHBondContact CE2-ND2 3.4Å; F1706-N1710 PolarHBondContact O-N 2.86Å; F1706-N1710 PolarHBondContact O-ND2 3.27Å; F1706-L1722 HydrophobicContact CD1-CD1 4.28Å; F1706-L1722 HydrophobicContact CD2-CD1 4.39Å; F1706-L1722 HydrophobicContact CE1-CD1 4.09Å; F1706-L1722 HydrophobicContact CE2-CD1 4.2Å; F1706-L1722 HydrophobicContact CG-CD1 4.43Å; F1706-L1722 HydrophobicContact CZ-CD1 4.05Å |
| 1707 | L | 46.7 | Very low | 53.3 | Low | 7 Ų | 7 | 79.6 Ų | 79.6 | 4% | 0.037 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 174 | -68.2 | 174.1 | 0 | 0 | 0 | 111.3 | L1703 S1709 N1710 K1711 L1712 Q1713 P1714 N1718 | L1703-L1707 HydrophobicContact CD2-CD1 4.21Å; L1703-L1707 HydrophobicContact CG-CD1 3.8Å; L1703-L1707 HydrophobicContact CG-CG 4.15Å; L1703-L1707 WeakPolarHBondContact O-CB 3.4Å; L1703-L1707 VanDerWaalsContact O-CG 3.31Å; L1703-L1707 WeakPolarHBondContact O-CG 3.39Å; L1703-L1707 PolarHBondContact O-N 3.02Å; L1707-S1709 VanDerWaalsContact C-N 3.26Å; L1707-S1709 PolarHBondContact O-N 2.86Å; L1707-N1710 PolarHBondContact O-N 2.78Å; L1707-N1710 VanDerWaalsContact O-N 3.14Å; L1707-K1711 PolarHBondContact O-N 3.48Å; L1707-L1712 WeakPolarHBondContact CB-O 3.26Å; L1707-L1712 HydrophobicContact CD2-CB 3.56Å; L1707-L1712 PolarHBondContact O-N 2.84Å; L1707-Q1713 WeakPolarHBondContact CD2-O 3.35Å; L1707-P1714 HydrophobicContact CD1-CB 3.57Å; L1707-P1714 HydrophobicContact CD1-CG 4.35Å; L1707-N1718 HydrophobicContact CD2-CB 4.36Å |
| 1708 | R | 42.5 | Very low | 53.7 | Low | 125 Ų | 125 | 74.6 Ų | 74.6 | 47% | 0.472 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57 | -31.2 | 173.7 | -81.2 | 168.8 | -167.3 | -165.9 | 5.6 | 114.2 | Y1704 R1877 | Y1704-R1708 VanDerWaalsContact O-CB 3.29Å; Y1704-R1708 WeakPolarHBondContact O-CB 3.11Å; Y1704-R1708 VanDerWaalsContact O-CD 3.28Å; Y1704-R1708 WeakPolarHBondContact O-CD 3.49Å; Y1704-R1708 WeakPolarHBondContact O-CG 3.28Å; Y1704-R1708 PolarHBondContact O-N 3.31Å; Y1704-R1708 VanDerWaalsContact O-N 3.12Å; R1708-R1877 VanDerWaalsContact NH1-CB 3.33Å; R1708-R1877 PolarHBondContact NH1-O 2.97Å; R1708-R1877 PolarHBondContact NH2-O 3.42Å |
| 1709 | S | 43 | Very low | 53.8 | Low | 86 Ų | 86 | 71.7 Ų | 71.7 | 60% | 0.601 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -83.9 | -21 | 178.5 | 48.7 | 0 | 0 | 0 | 0 | 114 | K1705 F1706 L1707 | K1705-S1709 PolarHBondContact O-N 3.36Å; K1705-S1709 PolarHBondContact O-OG 3.36Å; F1706-S1709 PolarHBondContact O-N 2.83Å; F1706-S1709 PolarHBondContact O-OG 3.28Å; L1707-S1709 VanDerWaalsContact C-N 3.26Å; L1707-S1709 PolarHBondContact O-N 2.86Å |
| 1710 | N | 43.5 | Very low | 54.2 | Low | 82 Ų | 82 | 73.3 Ų | 73.3 | 44% | 0.439 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -112 | 8.5 | -177.3 | -61.9 | -73.9 | 0 | 0 | 0 | 113.5 | F1706 L1707 L1712 | F1706-N1710 VanDerWaalsContact CE2-ND2 3.34Å; F1706-N1710 WeakPolarHBondContact CE2-ND2 3.4Å; F1706-N1710 PolarHBondContact O-N 2.86Å; F1706-N1710 PolarHBondContact O-ND2 3.27Å; L1707-N1710 PolarHBondContact O-N 2.78Å; L1707-N1710 VanDerWaalsContact O-N 3.14Å; N1710-L1712 HydrophobicContact CB-CD1 3.98Å; N1710-L1712 HydrophobicContact CB-CG 4.13Å; N1710-L1712 PolarHBondContact O-N 3.26Å |
| 1711 | K | 46.2 | Very low | 54.3 | Low | 210 Ų | 210 | 81.9 Ų | 81.9 | 91% | 0.913 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 28.8 | -174.5 | -57.4 | -176.8 | 179.6 | 179.5 | 0 | 114.8 | L1707 | L1707-K1711 PolarHBondContact O-N 3.48Š|
| 1712 | L | 45.1 | Very low | 54.8 | Low | 66 Ų | 66 | 79.8 Ų | 79.8 | 35% | 0.346 | 39% | 0.386 | S | S | . | . | trans | -98.5 | 156.8 | -176.5 | -69.1 | 172.4 | 0 | 0 | 0 | 113.2 | L1707 N1710 | L1707-L1712 WeakPolarHBondContact CB-O 3.26Å; L1707-L1712 HydrophobicContact CD2-CB 3.56Å; L1707-L1712 PolarHBondContact O-N 2.84Å; N1710-L1712 HydrophobicContact CB-CD1 3.98Å; N1710-L1712 HydrophobicContact CB-CG 4.13Å; N1710-L1712 PolarHBondContact O-N 3.26Å | ||
| 1713 | Q | 49.6 | Very low | 55.3 | Low | 157 Ų | 157 | 77.6 Ų | 77.6 | 73% | 0.734 | 38% | 0.378 | S | S | * | . | trans | -91.9 | 154 | 171.7 | -72.9 | -160.4 | 10.3 | 0 | 0 | 113.4 | L1707 N1715 N1718 | L1707-Q1713 WeakPolarHBondContact CD2-O 3.35Å; Q1713-N1715 PolarHBondContact O-N 3.49Å; Q1713-N1718 PolarHBondContact O-ND2 3.34Å | ||
| 1714 | P | 53.2 | Low | 56 | Low | 56 Ų | 56 | 84.3 Ų | 84.3 | 36% | 0.364 | 41% | 0.407 | S | S | . | . | trans | -77.5 | 100.5 | 177.6 | 30.8 | -32.8 | 0 | 0 | 0 | 111.9 | Y1704 L1707 | Y1704-P1714 HydrophobicContact CE1-CB 4.35Å; Y1704-P1714 HydrophobicContact CE1-CG 4.18Å; L1707-P1714 HydrophobicContact CD1-CB 3.57Å; L1707-P1714 HydrophobicContact CD1-CG 4.35Å | ||
| 1715 | N | 63.2 | Low | 56.9 | Low | 68 Ų | 68 | 82.3 Ų | 82.3 | 36% | 0.364 | 41% | 0.405 | S | S | . | . | trans | -135.7 | 167.6 | 170.3 | 66.4 | 12.1 | 0 | 0 | 0 | 111.4 | Q1713 S1717 N1718 L1719 | Q1713-N1715 PolarHBondContact O-N 3.49Å; N1715-S1717 VanDerWaalsContact C-N 3.26Å; N1715-S1717 PolarHBondContact O-N 2.97Å; N1715-N1718 PolarHBondContact O-N 3.07Å; N1715-N1718 WeakPolarHBondContact OD1-CB 3.39Å; N1715-N1718 PolarHBondContact OD1-N 3.23Å; N1715-N1718 PolarHBondContact OD1-ND2 2.83Å; N1715-L1719 PolarHBondContact O-N 2.72Å | ||
| 1716 | V | 62.3 | Low | 58.1 | Low | 48 Ų | 48 | 75.8 Ų | 75.8 | 29% | 0.291 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.6 | -37 | -179 | -175.8 | 0 | 0 | 0 | 0 | 111.2 | I1694 N1718 L1719 L1720 | I1694-V1716 HydrophobicContact CG2-CG1 4.35Å; V1716-N1718 PolarHBondContact O-N 3.4Å; V1716-L1719 CarbonylContact O-C 3.18Å; V1716-L1719 WeakPolarHBondContact O-CA 3.29Å; V1716-L1719 VanDerWaalsContact O-CB 3.3Å; V1716-L1719 WeakPolarHBondContact O-CB 3.38Å; V1716-L1719 PolarHBondContact O-N 3.29Å; V1716-L1720 HydrophobicContact CG1-CD1 4.31Å; V1716-L1720 PolarHBondContact O-N 3.3Å |
| 1717 | S | 64.3 | Low | 59.3 | Low | 73 Ų | 73 | 77.8 Ų | 77.8 | 51% | 0.51 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.7 | -39.8 | 178.3 | -39.2 | 0 | 0 | 0 | 0 | 113.1 | N1715 L1720 R1721 | N1715-S1717 VanDerWaalsContact C-N 3.26Å; N1715-S1717 PolarHBondContact O-N 2.97Å; S1717-L1720 WeakPolarHBondContact O-CB 3.29Å; S1717-L1720 PolarHBondContact O-N 2.96Å; S1717-R1721 PolarHBondContact O-N 3.09Å |
| 1718 | N | 61 | Low | 60.5 | Low | 16 Ų | 16 | 81.9 Ų | 81.9 | 9% | 0.086 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -73.7 | -28.7 | 174.1 | -77.7 | -36 | 0 | 0 | 0 | 112.6 | L1707 Q1713 N1715 V1716 L1722 | L1707-N1718 HydrophobicContact CD2-CB 4.36Å; Q1713-N1718 PolarHBondContact O-ND2 3.34Å; N1715-N1718 PolarHBondContact O-N 3.07Å; N1715-N1718 WeakPolarHBondContact OD1-CB 3.39Å; N1715-N1718 PolarHBondContact OD1-N 3.23Å; N1715-N1718 PolarHBondContact OD1-ND2 2.83Å; V1716-N1718 PolarHBondContact O-N 3.4Å; N1718-L1722 WeakPolarHBondContact O-CB 3.19Å; N1718-L1722 PolarHBondContact O-N 3.33Å |
| 1719 | L | 62.4 | Low | 61.8 | Low | 2 Ų | 2 | 80.1 Ų | 80.1 | 1% | 0.01 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.8 | -39.4 | 170.7 | -123.1 | 140.9 | 0 | 0 | 0 | 111.4 | Y1690 C1693 I1694 F1699 L1703 N1715 V1716 L1722 A1723 | Y1690-L1719 HydrophobicContact CD1-CD2 4.05Å; C1693-L1719 HydrophobicContact CB-CD2 3.9Å; I1694-L1719 HydrophobicContact CD1-CD2 4.48Å; I1694-L1719 HydrophobicContact CG1-CB 4.33Å; I1694-L1719 HydrophobicContact CG1-CD2 3.87Å; F1699-L1719 HydrophobicContact CD1-CD1 3.58Å; F1699-L1719 HydrophobicContact CE1-CD1 3.67Å; L1703-L1719 HydrophobicContact CD2-CD1 3.73Å; L1703-L1719 HydrophobicContact CD2-CG 4.31Å; N1715-L1719 PolarHBondContact O-N 2.72Å; V1716-L1719 CarbonylContact O-C 3.18Å; V1716-L1719 WeakPolarHBondContact O-CA 3.29Å; V1716-L1719 VanDerWaalsContact O-CB 3.3Å; V1716-L1719 WeakPolarHBondContact O-CB 3.38Å; V1716-L1719 PolarHBondContact O-N 3.29Å; L1719-L1722 PolarHBondContact O-N 3.02Å; L1719-A1723 WeakPolarHBondContact O-CB 2.9Å; L1719-A1723 PolarHBondContact O-N 3.2Å |
| 1720 | L | 68.8 | Low | 62.9 | Low | 97 Ų | 97 | 76.6 Ų | 76.6 | 51% | 0.508 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 171.3 | -86.8 | 162.6 | 0 | 0 | 0 | 112.3 | I1694 V1716 S1717 L1722 A1723 K1724 | I1694-L1720 HydrophobicContact CD1-CD2 4.21Å; I1694-L1720 HydrophobicContact CD1-CG 4.27Å; V1716-L1720 HydrophobicContact CG1-CD1 4.31Å; V1716-L1720 PolarHBondContact O-N 3.3Å; S1717-L1720 WeakPolarHBondContact O-CB 3.29Å; S1717-L1720 PolarHBondContact O-N 2.96Å; L1720-L1722 VanDerWaalsContact C-N 3.29Å; L1720-L1722 PolarHBondContact O-N 2.96Å; L1720-A1723 PolarHBondContact O-N 2.91Å; L1720-K1724 WeakPolarHBondContact O-CB 3.3Å; L1720-K1724 PolarHBondContact O-N 3.47Å |
| 1721 | R | 65 | Low | 64.2 | Low | 179 Ų | 179 | 76.7 Ų | 76.7 | 68% | 0.675 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -56 | -43.7 | 173.1 | -77 | -177.4 | 175.3 | -175.5 | -1.4 | 111.7 | S1717 K1724 S1725 | S1717-R1721 PolarHBondContact O-N 3.09Å; R1721-K1724 PolarHBondContact O-N 3.06Å; R1721-S1725 PolarHBondContact O-N 3.01Å |
| 1722 | L | 65 | Low | 65 | Low | 18 Ų | 18 | 72 Ų | 72 | 9% | 0.094 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 177.9 | -165.3 | 69.5 | 0 | 0 | 0 | 111.8 | Y1690 L1703 F1706 N1718 L1719 L1720 S1725 H1726 | Y1690-L1722 HydrophobicContact CD1-CD2 4.5Å; Y1690-L1722 HydrophobicContact CE1-CD2 3.88Å; Y1690-L1722 HydrophobicContact CE2-CD2 4.07Å; Y1690-L1722 HydrophobicContact CE2-CG 4.4Å; L1703-L1722 HydrophobicContact CD1-CD2 3.89Å; F1706-L1722 HydrophobicContact CD1-CD1 4.28Å; F1706-L1722 HydrophobicContact CD2-CD1 4.39Å; F1706-L1722 HydrophobicContact CE1-CD1 4.09Å; F1706-L1722 HydrophobicContact CE2-CD1 4.2Å; F1706-L1722 HydrophobicContact CG-CD1 4.43Å; F1706-L1722 HydrophobicContact CZ-CD1 4.05Å; N1718-L1722 WeakPolarHBondContact O-CB 3.19Å; N1718-L1722 PolarHBondContact O-N 3.33Å; L1719-L1722 PolarHBondContact O-N 3.02Å; L1720-L1722 VanDerWaalsContact C-N 3.29Å; L1720-L1722 PolarHBondContact O-N 2.96Å; L1722-S1725 PolarHBondContact O-N 2.67Å; L1722-H1726 PolarHBondContact O-CD2 3.17Å; L1722-H1726 PolarHBondContact O-N 3.09Å; L1722-H1726 VanDerWaalsContact O-N 3.08Å |
| 1723 | A | 67.7 | Low | 66.3 | Low | 10 Ų | 10 | 71 Ų | 71 | 8% | 0.083 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1687 I1694 L1719 L1720 S1725 H1726 K1727 | L1687-A1723 HydrophobicContact CD1-CB 4.24Å; L1687-A1723 WeakPolarHBondContact CD1-O 3.06Å; I1694-A1723 HydrophobicContact CD1-CB 4.41Å; L1719-A1723 WeakPolarHBondContact O-CB 2.9Å; L1719-A1723 PolarHBondContact O-N 3.2Å; L1720-A1723 PolarHBondContact O-N 2.91Å; A1723-S1725 PolarHBondContact O-N 3.16Å; A1723-H1726 PolarHBondContact O-N 3.06Å; A1723-H1726 VanDerWaalsContact O-N 3.13Å; A1723-K1727 PolarHBondContact O-N 2.77Å |
| 1724 | K | 74.3 | Confident | 67.1 | Low | 143 Ų | 143 | 67.4 Ų | 67.4 | 62% | 0.622 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.5 | -46.1 | 175.8 | -148.3 | 179 | -178.3 | -179.1 | 0 | 110.7 | L1720 R1721 H1726 K1727 E1728 | L1720-K1724 WeakPolarHBondContact O-CB 3.3Å; L1720-K1724 PolarHBondContact O-N 3.47Å; R1721-K1724 PolarHBondContact O-N 3.06Å; K1724-H1726 VanDerWaalsContact C-N 3.26Å; K1724-H1726 PolarHBondContact O-N 3.33Å; K1724-K1727 WeakPolarHBondContact O-CA 3.24Å; K1724-K1727 WeakPolarHBondContact O-CB 3.44Å; K1724-K1727 PolarHBondContact O-N 2.94Å; K1724-E1728 PolarHBondContact O-N 3.36Å |
| 1725 | S | 71.5 | Confident | 67.7 | Low | 40 Ų | 40 | 69.8 Ų | 69.8 | 28% | 0.28 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.3 | -18.2 | 176.2 | -154.7 | 0 | 0 | 0 | 0 | 115.2 | R1721 L1722 A1723 E1728 K1729 | R1721-S1725 PolarHBondContact O-N 3.01Å; L1722-S1725 PolarHBondContact O-N 2.67Å; A1723-S1725 PolarHBondContact O-N 3.16Å; S1725-E1728 WeakPolarHBondContact CA-OE2 2.99Å; S1725-K1729 WeakPolarHBondContact O-CD 3.2Å; S1725-K1729 VanDerWaalsContact O-CG 3.3Å; S1725-K1729 WeakPolarHBondContact O-CG 3.3Å; S1725-K1729 PolarHBondContact O-NZ 3.48Å; S1725-K1729 PolarHBondContact OG-NZ 2.97Å |
| 1726 | H | 74.4 | Confident | 67.5 | Low | 23 Ų | 23 | 71.7 Ų | 71.7 | 11% | 0.106 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -84.5 | -31.1 | 167.4 | -82.6 | -69.5 | 0 | 0 | 0 | 112.6 | E1683 L1687 Y1690 L1722 A1723 K1724 C1730 | E1683-H1726 IonicContact OE2-CE1 3.95Å; E1683-H1726 PolarHBondContact OE2-CE1 3.45Å; E1683-H1726 IonicContact OE2-ND1 3.2Å; E1683-H1726 PolarHBondContact OE2-ND1 3.45Å; L1687-H1726 HydrophobicContact CD1-CB 4.31Å; Y1690-H1726 AromaticContact CD2-CD2 3.94Å; Y1690-H1726 AromaticContact CE2-CD2 3.52Å; Y1690-H1726 AromaticContact CE2-NE2 3.55Å; L1722-H1726 PolarHBondContact O-CD2 3.17Å; L1722-H1726 PolarHBondContact O-N 3.09Å; L1722-H1726 VanDerWaalsContact O-N 3.08Å; A1723-H1726 PolarHBondContact O-N 3.06Å; A1723-H1726 VanDerWaalsContact O-N 3.13Å; K1724-H1726 VanDerWaalsContact C-N 3.26Å; K1724-H1726 PolarHBondContact O-N 3.33Å; H1726-C1730 WeakPolarHBondContact O-CB 3.33Å; H1726-C1730 PolarHBondContact O-N 3.17Å; H1726-C1730 VanDerWaalsContact O-N 3.08Å |
| 1727 | K | 74.9 | Confident | 67.8 | Low | 128 Ų | 128 | 70.6 Ų | 70.6 | 56% | 0.557 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64 | -49 | 171.9 | -173.2 | -173.8 | 177.4 | -173.2 | 0 | 111 | A1723 K1724 K1729 C1730 N1731 | A1723-K1727 PolarHBondContact O-N 2.77Å; K1724-K1727 WeakPolarHBondContact O-CA 3.24Å; K1724-K1727 WeakPolarHBondContact O-CB 3.44Å; K1724-K1727 PolarHBondContact O-N 2.94Å; K1727-K1729 PolarHBondContact O-N 3.45Å; K1727-C1730 WeakPolarHBondContact O-CB 3.19Å; K1727-C1730 PolarHBondContact O-N 3.17Å; K1727-C1730 VanDerWaalsContact O-N 3.11Å; K1727-N1731 PolarHBondContact O-N 3.11Å; K1727-N1731 VanDerWaalsContact O-N 3.09Å; K1727-N1731 PolarHBondContact O-OD1 2.93Å |
| 1728 | E | 72.3 | Confident | 67.7 | Low | 92 Ų | 92 | 71.9 Ų | 71.9 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -55.5 | -52.5 | 176.4 | -70.4 | 146.5 | -157.7 | 0 | 0 | 111.6 | K1724 S1725 C1730 N1731 D1732 | K1724-E1728 PolarHBondContact O-N 3.36Å; S1725-E1728 WeakPolarHBondContact CA-OE2 2.99Å; E1728-C1730 PolarHBondContact O-N 2.94Å; E1728-N1731 WeakPolarHBondContact O-CA 3.44Å; E1728-N1731 WeakPolarHBondContact O-CB 3.31Å; E1728-N1731 PolarHBondContact O-N 2.79Å; E1728-D1732 PolarHBondContact O-N 3.04Å |
| 1729 | K | 69.3 | Low | 67.5 | Low | 89 Ų | 89 | 75 Ų | 75 | 39% | 0.387 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.1 | -29 | 176.7 | -72.3 | 172.3 | -170.8 | 59.1 | 0 | 113.6 | S1725 K1727 M1733 | S1725-K1729 WeakPolarHBondContact O-CD 3.2Å; S1725-K1729 VanDerWaalsContact O-CG 3.3Å; S1725-K1729 WeakPolarHBondContact O-CG 3.3Å; S1725-K1729 PolarHBondContact O-NZ 3.48Å; S1725-K1729 PolarHBondContact OG-NZ 2.97Å; K1727-K1729 PolarHBondContact O-N 3.45Å; K1729-M1733 WeakPolarHBondContact O-CB 3.28Å; K1729-M1733 WeakPolarHBondContact O-CG 3.08Å; K1729-M1733 PolarHBondContact O-N 2.66Å |
| 1730 | C | 67 | Low | 67.4 | Low | 12 Ų | 12 | 75.9 Ų | 75.9 | 8% | 0.081 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.3 | -40 | 171.8 | -92.1 | 0 | 0 | 0 | 0 | 111.8 | E1683 H1726 K1727 E1728 L1734 | E1683-C1730 VanDerWaalsContact CB-SG 3.56Å; H1726-C1730 WeakPolarHBondContact O-CB 3.33Å; H1726-C1730 PolarHBondContact O-N 3.17Å; H1726-C1730 VanDerWaalsContact O-N 3.08Å; K1727-C1730 WeakPolarHBondContact O-CB 3.19Å; K1727-C1730 PolarHBondContact O-N 3.17Å; K1727-C1730 VanDerWaalsContact O-N 3.11Å; E1728-C1730 PolarHBondContact O-N 2.94Å; C1730-L1734 WeakPolarHBondContact O-CB 3.17Å; C1730-L1734 PolarHBondContact O-N 3.07Å |
| 1731 | N | 70.3 | Confident | 67 | Low | 84 Ų | 84 | 74.4 Ų | 74.4 | 45% | 0.449 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.2 | -47.2 | 179 | -69.4 | 6.3 | 0 | 0 | 0 | 111.7 | K1727 E1728 M1733 L1734 N1735 | K1727-N1731 PolarHBondContact O-N 3.11Å; K1727-N1731 VanDerWaalsContact O-N 3.09Å; K1727-N1731 PolarHBondContact O-OD1 2.93Å; E1728-N1731 WeakPolarHBondContact O-CA 3.44Å; E1728-N1731 WeakPolarHBondContact O-CB 3.31Å; E1728-N1731 PolarHBondContact O-N 2.79Å; N1731-M1733 VanDerWaalsContact C-N 3.29Å; N1731-M1733 PolarHBondContact O-N 3.16Å; N1731-L1734 WeakPolarHBondContact O-CA 3.12Å; N1731-L1734 WeakPolarHBondContact O-CB 3.14Å; N1731-L1734 PolarHBondContact O-N 2.78Å; N1731-N1735 PolarHBondContact O-N 3.35Å |
| 1732 | D | 63 | Low | 66.7 | Low | 111 Ų | 111 | 70.5 Ų | 70.5 | 59% | 0.594 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -55.7 | -45.6 | 175.2 | -69.1 | -20.1 | 0 | 0 | 0 | 111.7 | E1728 L1734 K1736 | E1728-D1732 PolarHBondContact O-N 3.04Å; D1732-L1734 VanDerWaalsContact C-N 3.29Å; D1732-L1734 PolarHBondContact O-N 2.7Å; D1732-K1736 WeakPolarHBondContact O-CB 3.15Å; D1732-K1736 PolarHBondContact O-N 2.96Å |
| 1733 | M | 72.9 | Confident | 66.2 | Low | 45 Ų | 45 | 71.3 Ų | 71.3 | 22% | 0.222 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.8 | -27.4 | 177.3 | -71.6 | -171.2 | -156.4 | 0 | 0 | 112.6 | L1676 K1679 I1680 K1729 N1731 L1737 | L1676-M1733 HydrophobicContact CD1-CB 3.78Å; L1676-M1733 HydrophobicContact CD1-CG 3.8Å; L1676-M1733 HydrophobicContact CD1-SD 4.04Å; K1679-M1733 HydrophobicContact CB-SD 3.72Å; K1679-M1733 HydrophobicContact CD-SD 4.31Å; I1680-M1733 HydrophobicContact CD1-CB 4.08Å; I1680-M1733 WeakPolarHBondContact CD1-O 3.39Å; I1680-M1733 HydrophobicContact CG1-CB 3.59Å; I1680-M1733 HydrophobicContact CG1-SD 4.44Å; K1729-M1733 WeakPolarHBondContact O-CB 3.28Å; K1729-M1733 WeakPolarHBondContact O-CG 3.08Å; K1729-M1733 PolarHBondContact O-N 2.66Å; N1731-M1733 VanDerWaalsContact C-N 3.29Å; N1731-M1733 PolarHBondContact O-N 3.16Å; M1733-L1737 VanDerWaalsContact O-CB 3.24Å; M1733-L1737 WeakPolarHBondContact O-CB 3.28Å; M1733-L1737 PolarHBondContact O-N 3.47Å |
| 1734 | L | 67.4 | Low | 65.8 | Low | 81 Ų | 81 | 70.9 Ų | 70.9 | 42% | 0.424 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -74.4 | -45.9 | 176.7 | -171.7 | 66.5 | 0 | 0 | 0 | 111.4 | C1730 N1731 D1732 K1736 L1737 I1738 | C1730-L1734 WeakPolarHBondContact O-CB 3.17Å; C1730-L1734 PolarHBondContact O-N 3.07Å; N1731-L1734 WeakPolarHBondContact O-CA 3.12Å; N1731-L1734 WeakPolarHBondContact O-CB 3.14Å; N1731-L1734 PolarHBondContact O-N 2.78Å; D1732-L1734 VanDerWaalsContact C-N 3.29Å; D1732-L1734 PolarHBondContact O-N 2.7Å; L1734-K1736 VanDerWaalsContact C-N 3.29Å; L1734-K1736 PolarHBondContact O-N 2.93Å; L1734-L1737 HydrophobicContact CD1-CD2 4.36Å; L1734-L1737 CarbonylContact O-C 3.57Å; L1734-L1737 WeakPolarHBondContact O-CA 3.02Å; L1734-L1737 WeakPolarHBondContact O-CB 3.49Å; L1734-L1737 PolarHBondContact O-N 2.65Å; L1734-I1738 WeakPolarHBondContact O-CG1 3.4Å; L1734-I1738 PolarHBondContact O-N 2.84Å |
| 1735 | N | 63.9 | Low | 64.9 | Low | 106 Ų | 106 | 67 Ų | 67 | 57% | 0.567 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.9 | -43.7 | 174.3 | -68.6 | -3.3 | 0 | 0 | 0 | 110.5 | N1731 L1737 I1738 E1739 | N1731-N1735 PolarHBondContact O-N 3.35Å; N1735-L1737 VanDerWaalsContact C-N 3.28Å; N1735-L1737 PolarHBondContact O-N 3.42Å; N1735-I1738 PolarHBondContact O-N 3.02Å; N1735-E1739 PolarHBondContact O-N 3.04Å |
| 1736 | K | 60.5 | Low | 63.9 | Low | 108 Ų | 108 | 66 Ų | 66 | 47% | 0.47 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.5 | -23.1 | 174.3 | -160.2 | 156.5 | -154.9 | 64 | 0 | 113.7 | L1676 D1732 L1734 E1739 L1740 | L1676-K1736 HydrophobicContact CD2-CB 4.47Å; D1732-K1736 WeakPolarHBondContact O-CB 3.15Å; D1732-K1736 PolarHBondContact O-N 2.96Å; L1734-K1736 VanDerWaalsContact C-N 3.29Å; L1734-K1736 PolarHBondContact O-N 2.93Å; K1736-E1739 IonicContact NZ-OE2 3.32Å; K1736-E1739 PolarHBondContact NZ-OE2 3.34Å; K1736-L1740 HydrophobicContact CG-CD1 4.47Å; K1736-L1740 VanDerWaalsContact O-CB 3.3Å; K1736-L1740 WeakPolarHBondContact O-CB 3.32Å; K1736-L1740 WeakPolarHBondContact O-CG 3.37Å; K1736-L1740 PolarHBondContact O-N 2.97Å; K1736-L1740 VanDerWaalsContact O-N 3.1Å |
| 1737 | L | 67.1 | Low | 62.8 | Low | 25 Ų | 25 | 64.9 Ų | 64.9 | 13% | 0.131 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72.8 | -42 | 170.4 | -178.2 | 72.4 | 0 | 0 | 0 | 110.7 | L1673 L1676 K1677 I1680 M1733 L1734 N1735 L1740 H1741 | L1673-L1737 HydrophobicContact CD1-CD1 3.71Å; L1673-L1737 HydrophobicContact CG-CD1 4.11Å; L1676-L1737 HydrophobicContact CD2-CB 3.95Å; L1676-L1737 HydrophobicContact CD2-CD1 4.12Å; L1676-L1737 HydrophobicContact CG-CB 4.44Å; L1676-L1737 HydrophobicContact CG-CD1 4.3Å; K1677-L1737 HydrophobicContact CG-CD1 3.78Å; K1677-L1737 HydrophobicContact CG-CD2 4.28Å; I1680-L1737 HydrophobicContact CD1-CB 3.88Å; I1680-L1737 HydrophobicContact CD1-CD1 4.48Å; I1680-L1737 HydrophobicContact CD1-CD2 3.78Å; I1680-L1737 HydrophobicContact CD1-CG 4.25Å; M1733-L1737 VanDerWaalsContact O-CB 3.24Å; M1733-L1737 WeakPolarHBondContact O-CB 3.28Å; M1733-L1737 PolarHBondContact O-N 3.47Å; L1734-L1737 HydrophobicContact CD1-CD2 4.36Å; L1734-L1737 CarbonylContact O-C 3.57Å; L1734-L1737 WeakPolarHBondContact O-CA 3.02Å; L1734-L1737 WeakPolarHBondContact O-CB 3.49Å; L1734-L1737 PolarHBondContact O-N 2.65Å; N1735-L1737 VanDerWaalsContact C-N 3.28Å; N1735-L1737 PolarHBondContact O-N 3.42Å; L1737-L1740 CarbonylContact O-C 3.41Å; L1737-L1740 PolarHBondContact O-N 2.85Å; L1737-H1741 WeakPolarHBondContact O-CB 2.9Å; L1737-H1741 PolarHBondContact O-N 3.48Å |
| 1738 | I | 62.2 | Low | 61.7 | Low | 100 Ų | 100 | 59.4 Ų | 59.4 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.2 | -51.9 | 175.8 | -65.3 | 163.8 | 0 | 0 | 0 | 109.4 | L1734 N1735 L1740 H1741 T1742 | L1734-I1738 WeakPolarHBondContact O-CG1 3.4Å; L1734-I1738 PolarHBondContact O-N 2.84Å; N1735-I1738 PolarHBondContact O-N 3.02Å; I1738-L1740 VanDerWaalsContact C-N 3.34Å; I1738-L1740 PolarHBondContact O-N 2.84Å; I1738-H1741 WeakPolarHBondContact O-CA 3.13Å; I1738-H1741 PolarHBondContact O-N 3.26Å; I1738-T1742 PolarHBondContact O-N 3.45Å; I1738-T1742 PolarHBondContact O-OG1 3.18Å |
| 1739 | E | 58.7 | Low | 60.7 | Low | 83 Ų | 83 | 57.3 Ų | 57.3 | 39% | 0.388 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -53.1 | -49.2 | 176.3 | -162.2 | -141.9 | 148.1 | 0 | 0 | 111.9 | N1735 K1736 H1741 Q1743 | N1735-E1739 PolarHBondContact O-N 3.04Å; K1736-E1739 IonicContact NZ-OE2 3.32Å; K1736-E1739 PolarHBondContact NZ-OE2 3.34Å; E1739-H1741 VanDerWaalsContact C-N 3.34Å; E1739-H1741 PolarHBondContact O-N 3.47Å; E1739-Q1743 WeakPolarHBondContact O-CB 2.88Å; E1739-Q1743 VanDerWaalsContact O-CG 3.3Å; E1739-Q1743 WeakPolarHBondContact O-CG 2.86Å; E1739-Q1743 PolarHBondContact O-N 3.44Å; E1739-Q1743 PolarHBondContact OE1-NE2 2.83Å |
| 1740 | L | 58.6 | Low | 59.6 | Low | 19 Ų | 19 | 53.1 Ų | 53.1 | 10% | 0.099 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70 | -24.6 | 175.7 | -81.6 | 168.6 | 0 | 0 | 0 | 113.5 | R1669 E1672 L1673 L1676 K1736 L1737 I1738 A1744 | R1669-L1740 HydrophobicContact CB-CD2 4.46Å; R1669-L1740 HydrophobicContact CG-CD2 4.06Å; E1672-L1740 HydrophobicContact CB-CD1 4.43Å; L1673-L1740 HydrophobicContact CD1-CB 4.19Å; L1676-L1740 HydrophobicContact CD2-CD1 3.78Å; K1736-L1740 HydrophobicContact CG-CD1 4.47Å; K1736-L1740 VanDerWaalsContact O-CB 3.3Å; K1736-L1740 WeakPolarHBondContact O-CB 3.32Å; K1736-L1740 WeakPolarHBondContact O-CG 3.37Å; K1736-L1740 PolarHBondContact O-N 2.97Å; K1736-L1740 VanDerWaalsContact O-N 3.1Å; L1737-L1740 CarbonylContact O-C 3.41Å; L1737-L1740 PolarHBondContact O-N 2.85Å; I1738-L1740 VanDerWaalsContact C-N 3.34Å; I1738-L1740 PolarHBondContact O-N 2.84Å; L1740-A1744 WeakPolarHBondContact O-CA 2.76Å; L1740-A1744 WeakPolarHBondContact O-CB 3.03Å; L1740-A1744 PolarHBondContact O-N 2.85Å |
| 1741 | H | 61.9 | Low | 58.5 | Low | 66 Ų | 66 | 52.6 Ų | 52.6 | 31% | 0.306 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -80.4 | -36.8 | 179 | -155.6 | -46.6 | 0 | 0 | 0 | 111.4 | L1673 L1737 I1738 E1739 A1744 S1745 | L1673-H1741 HydrophobicContact CD1-CB 4.13Å; L1737-H1741 WeakPolarHBondContact O-CB 2.9Å; L1737-H1741 PolarHBondContact O-N 3.48Å; I1738-H1741 WeakPolarHBondContact O-CA 3.13Å; I1738-H1741 PolarHBondContact O-N 3.26Å; E1739-H1741 VanDerWaalsContact C-N 3.34Å; E1739-H1741 PolarHBondContact O-N 3.47Å; H1741-A1744 CarbonylContact O-C 3.5Å; H1741-S1745 WeakPolarHBondContact O-CA 3.19Å; H1741-S1745 VanDerWaalsContact O-CB 3.32Å; H1741-S1745 WeakPolarHBondContact O-CB 2.94Å; H1741-S1745 PolarHBondContact O-N 2.87Å |
| 1742 | T | 57.7 | Low | 57.2 | Low | 97 Ų | 97 | 49.1 Ų | 49.1 | 60% | 0.595 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66 | -49.1 | 170.5 | -50.3 | 0 | 0 | 0 | 0 | 110 | I1738 A1744 S1745 | I1738-T1742 PolarHBondContact O-N 3.45Å; I1738-T1742 PolarHBondContact O-OG1 3.18Å; T1742-A1744 VanDerWaalsContact C-N 3.3Å; T1742-A1744 PolarHBondContact O-N 3.16Å; T1742-S1745 WeakPolarHBondContact O-CA 3.42Å; T1742-S1745 WeakPolarHBondContact O-CB 2.86Å; T1742-S1745 PolarHBondContact O-N 3.28Å |
| 1743 | Q | 55.1 | Low | 56.4 | Low | 36 Ų | 36 | 45.8 Ų | 45.8 | 17% | 0.168 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.8 | -23.2 | 178.2 | -67.6 | -178 | 41.9 | 0 | 0 | 113.9 | E1739 | E1739-Q1743 WeakPolarHBondContact O-CB 2.88Å; E1739-Q1743 VanDerWaalsContact O-CG 3.3Å; E1739-Q1743 WeakPolarHBondContact O-CG 2.86Å; E1739-Q1743 PolarHBondContact O-N 3.44Å; E1739-Q1743 PolarHBondContact OE1-NE2 2.83Å |
| 1744 | A | 59.2 | Low | 54.7 | Low | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -83.4 | -15.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112 | L1670 L1740 H1741 T1742 V1747 L1748 | L1670-A1744 HydrophobicContact CD2-CB 3.97Å; L1740-A1744 WeakPolarHBondContact O-CA 2.76Å; L1740-A1744 WeakPolarHBondContact O-CB 3.03Å; L1740-A1744 PolarHBondContact O-N 2.85Å; H1741-A1744 CarbonylContact O-C 3.5Å; T1742-A1744 VanDerWaalsContact C-N 3.3Å; T1742-A1744 PolarHBondContact O-N 3.16Å; A1744-V1747 CarbonylContact O-C 3.42Å; A1744-V1747 VanDerWaalsContact O-CA 3.31Å; A1744-V1747 WeakPolarHBondContact O-CA 3.03Å; A1744-V1747 WeakPolarHBondContact O-CB 3.44Å; A1744-V1747 PolarHBondContact O-N 3.2Å; A1744-L1748 HydrophobicContact CB-CD1 4.01Å; A1744-L1748 HydrophobicContact CB-CG 4.48Å; A1744-L1748 WeakPolarHBondContact O-CB 3.01Å; A1744-L1748 WeakPolarHBondContact O-CD1 3.36Å; A1744-L1748 WeakPolarHBondContact O-CG 2.89Å; A1744-L1748 PolarHBondContact O-N 3.5Å |
| 1745 | S | 54.1 | Low | 53.4 | Low | 61 Ų | 61 | 42.9 Ų | 42.9 | 43% | 0.427 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.1 | -48.2 | -178.5 | -159.7 | 0 | 0 | 0 | 0 | 110.7 | H1741 T1742 V1747 L1748 S1749 | H1741-S1745 WeakPolarHBondContact O-CA 3.19Å; H1741-S1745 VanDerWaalsContact O-CB 3.32Å; H1741-S1745 WeakPolarHBondContact O-CB 2.94Å; H1741-S1745 PolarHBondContact O-N 2.87Å; T1742-S1745 WeakPolarHBondContact O-CA 3.42Å; T1742-S1745 WeakPolarHBondContact O-CB 2.86Å; T1742-S1745 PolarHBondContact O-N 3.28Å; S1745-V1747 PolarHBondContact O-N 2.86Å; S1745-L1748 CarbonylContact O-C 3.51Å; S1745-L1748 WeakPolarHBondContact O-CA 3.07Å; S1745-L1748 WeakPolarHBondContact O-CB 2.92Å; S1745-L1748 PolarHBondContact O-N 3.18Å; S1745-S1749 WeakPolarHBondContact O-CB 2.87Å; S1745-S1749 PolarHBondContact O-N 3.48Å; S1745-S1749 PolarHBondContact O-OG 3.47Å |
| 1746 | C | 50.9 | Low | 52.5 | Low | 20 Ų | 20 | 42.2 Ų | 42.2 | 14% | 0.135 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.6 | -23.1 | 171.8 | -170.4 | 0 | 0 | 0 | 0 | 112.9 | F1487 S1749 | F1487-C1746 HydrophobicContact CD1-CB 3.85Å; F1487-C1746 HydrophobicContact CE1-CB 4.05Å; C1746-S1749 WeakPolarHBondContact CA-OG 3.49Å; C1746-S1749 PolarHBondContact O-OG 2.8Å |
| 1747 | V | 51.6 | Low | 51.8 | Low | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -88.4 | -9.3 | 173 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | S680 F1487 C1666 T1667 A1744 S1745 L1751 | S680-V1747 PolarHBondContact OG-O 2.9Å; F1487-V1747 HydrophobicContact CE1-CG2 3.93Å; F1487-V1747 HydrophobicContact CZ-CG2 3.88Å; C1666-V1747 HydrophobicContact CB-CG2 4.16Å; T1667-V1747 HydrophobicContact CG2-CG1 4.43Å; A1744-V1747 CarbonylContact O-C 3.42Å; A1744-V1747 VanDerWaalsContact O-CA 3.31Å; A1744-V1747 WeakPolarHBondContact O-CA 3.03Å; A1744-V1747 WeakPolarHBondContact O-CB 3.44Å; A1744-V1747 PolarHBondContact O-N 3.2Å; S1745-V1747 PolarHBondContact O-N 2.86Å; V1747-L1751 VanDerWaalsContact O-CD2 3.23Å; V1747-L1751 WeakPolarHBondContact O-CD2 3.43Å; V1747-L1751 WeakPolarHBondContact O-CG 2.94Å |
| 1748 | L | 51.5 | Low | 50.6 | Low | 13 Ų | 13 | 43 Ų | 43 | 7% | 0.068 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -106.1 | -25.6 | 179.6 | -78 | 161.4 | 0 | 0 | 0 | 112.2 | L1670 A1744 S1745 L1751 R1756 F1759 | L1670-L1748 HydrophobicContact CD1-CD2 4.35Å; L1670-L1748 HydrophobicContact CD2-CD2 4.25Å; L1670-L1748 HydrophobicContact CD2-CG 4.26Å; A1744-L1748 HydrophobicContact CB-CD1 4.01Å; A1744-L1748 HydrophobicContact CB-CG 4.48Å; A1744-L1748 WeakPolarHBondContact O-CB 3.01Å; A1744-L1748 WeakPolarHBondContact O-CD1 3.36Å; A1744-L1748 WeakPolarHBondContact O-CG 2.89Å; A1744-L1748 PolarHBondContact O-N 3.5Å; S1745-L1748 CarbonylContact O-C 3.51Å; S1745-L1748 WeakPolarHBondContact O-CA 3.07Å; S1745-L1748 WeakPolarHBondContact O-CB 2.92Å; S1745-L1748 PolarHBondContact O-N 3.18Å; L1748-L1751 HydrophobicContact CB-CD1 4.34Å; L1748-L1751 HydrophobicContact CD2-CD1 3.55Å; L1748-L1751 HydrophobicContact CG-CD1 4.26Å; L1748-L1751 CarbonylContact O-C 3.26Å; L1748-L1751 WeakPolarHBondContact O-CA 3.35Å; L1748-L1751 VanDerWaalsContact O-CB 3.31Å; L1748-L1751 WeakPolarHBondContact O-CB 3.32Å; L1748-L1751 PolarHBondContact O-N 2.75Å; L1748-L1751 VanDerWaalsContact O-N 3.15Å; L1748-R1756 HydrophobicContact CD2-CG 4.23Å; L1748-R1756 PolarHBondContact O-NE 3.46Å; L1748-R1756 VanDerWaalsContact O-NE 3.08Å; L1748-R1756 PolarHBondContact O-NH2 3.27Å; L1748-F1759 HydrophobicContact CD2-CD1 4.26Å |
| 1749 | S | 51.2 | Low | 50.1 | Low | 48 Ų | 48 | 39 Ų | 39 | 34% | 0.336 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -78.9 | -44 | 176.3 | 60.1 | 0 | 0 | 0 | 0 | 110.5 | H657 S1745 C1746 L1751 | H657-S1749 PolarHBondContact CE1-O 2.95Å; H657-S1749 PolarHBondContact NE2-O 3.02Å; S1745-S1749 WeakPolarHBondContact O-CB 2.87Å; S1745-S1749 PolarHBondContact O-N 3.48Å; S1745-S1749 PolarHBondContact O-OG 3.47Å; C1746-S1749 WeakPolarHBondContact CA-OG 3.49Å; C1746-S1749 PolarHBondContact O-OG 2.8Å; S1749-L1751 CarbonylContact O-C 3.59Å; S1749-L1751 PolarHBondContact O-N 2.95Å |
| 1750 | N | 47.7 | Very low | 50.1 | Low | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 34 | 155 | -72.8 | 81.4 | 0 | 0 | 0 | 112.3 | L653 H657 M676 | L653-N1750 HydrophobicContact CD1-CB 3.76Å; L653-N1750 WeakPolarHBondContact CD1-ND2 2.72Å; L653-N1750 HydrophobicContact CD2-CB 4.17Å; L653-N1750 HydrophobicContact CG-CB 3.95Å; L653-N1750 VanDerWaalsContact CG-CG 3.42Å; L653-N1750 WeakPolarHBondContact CG-OD1 2.81Å; L653-N1750 PolarHBondContact O-ND2 2.93Å; H657-N1750 PolarHBondContact CD2-ND2 3.48Å; H657-N1750 VanDerWaalsContact CG-ND2 3.31Å; M676-N1750 VanDerWaalsContact CE-C 3.44Å; M676-N1750 WeakPolarHBondContact CE-O 3.24Å |
| 1751 | L | 42.9 | Very low | 49.8 | Very low | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -133 | 122.2 | 148.9 | -29.4 | 166.9 | 0 | 0 | 0 | 109.3 | I673 M676 S680 L1670 V1747 L1748 S1749 R1756 | I673-L1751 HydrophobicContact CD1-CB 3.36Å; I673-L1751 HydrophobicContact CD1-CD1 4.22Å; I673-L1751 HydrophobicContact CD1-CG 4.39Å; I673-L1751 HydrophobicContact CG1-CB 3.45Å; I673-L1751 VanDerWaalsContact CG1-CB 3.45Å; M676-L1751 VanDerWaalsContact CB-CA 3.43Å; M676-L1751 HydrophobicContact CB-CB 3.67Å; M676-L1751 HydrophobicContact CB-CD2 3.65Å; M676-L1751 HydrophobicContact CB-CG 4.27Å; M676-L1751 HydrophobicContact CG-CB 4.49Å; M676-L1751 WeakPolarHBondContact O-CD2 3.25Å; S680-L1751 WeakPolarHBondContact OG-CD1 3.43Å; S680-L1751 VanDerWaalsContact OG-CD2 3.3Å; S680-L1751 WeakPolarHBondContact OG-CD2 3.45Å; L1670-L1751 HydrophobicContact CD1-CD1 4.42Å; V1747-L1751 VanDerWaalsContact O-CD2 3.23Å; V1747-L1751 WeakPolarHBondContact O-CD2 3.43Å; V1747-L1751 WeakPolarHBondContact O-CG 2.94Å; L1748-L1751 HydrophobicContact CB-CD1 4.34Å; L1748-L1751 HydrophobicContact CD2-CD1 3.55Å; L1748-L1751 HydrophobicContact CG-CD1 4.26Å; L1748-L1751 CarbonylContact O-C 3.26Å; L1748-L1751 WeakPolarHBondContact O-CA 3.35Å; L1748-L1751 VanDerWaalsContact O-CB 3.31Å; L1748-L1751 WeakPolarHBondContact O-CB 3.32Å; L1748-L1751 PolarHBondContact O-N 2.75Å; L1748-L1751 VanDerWaalsContact O-N 3.15Å; S1749-L1751 CarbonylContact O-C 3.59Å; S1749-L1751 PolarHBondContact O-N 2.95Å; L1751-R1756 PolarHBondContact O-NE 3.41Å; L1751-R1756 VanDerWaalsContact O-NE 3.12Å; L1751-R1756 PolarHBondContact O-NH2 3.49Å |
| 1752 | S | 43.5 | Very low | 49.2 | Very low | 12 Ų | 12 | 43.2 Ų | 43.2 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | trans | -62 | -167.5 | 171.8 | 39.5 | 0 | 0 | 0 | 0 | 112.8 | L664 R672 I673 | L664-S1752 WeakPolarHBondContact CD2-OG 3.14Å; R672-S1752 WeakPolarHBondContact CB-OG 3.19Å; R672-S1752 PolarHBondContact O-OG 3.29Å; I673-S1752 WeakPolarHBondContact CD1-O 3.35Å; I673-S1752 WeakPolarHBondContact CG1-O 3.35Å; I673-S1752 WeakPolarHBondContact CG2-O 3.46Å | ||
| 1753 | L | 44.8 | Very low | 48.9 | Very low | 40 Ų | 40 | 38.8 Ų | 38.8 | 21% | 0.209 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -72.6 | -74.2 | -161 | -88.9 | 60.5 | 0 | 0 | 0 | 121.1 | L669 I673 D1113 C1755 R1756 I1757 | L669-L1753 HydrophobicContact CD1-CB 3.75Å; L669-L1753 HydrophobicContact CD1-CD2 4.26Å; L669-L1753 HydrophobicContact CD2-CB 4.04Å; L669-L1753 HydrophobicContact CD2-CD2 4.45Å; L669-L1753 HydrophobicContact CG-CB 3.7Å; I673-L1753 VanDerWaalsContact CG2-C 3.45Å; D1113-L1753 HydrophobicContact CB-CD2 4.33Å; L1753-C1755 PolarHBondContact O-N 2.81Å; L1753-R1756 WeakPolarHBondContact O-CA 3.37Å; L1753-R1756 WeakPolarHBondContact O-CB 3.28Å; L1753-R1756 PolarHBondContact O-N 3.31Å; L1753-I1757 PolarHBondContact O-N 3.06Å |
| 1754 | L | 38.1 | Very low | 48.9 | Very low | 56 Ų | 56 | 40.5 Ų | 40.5 | 29% | 0.293 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -79.7 | -17.4 | -158.2 | -169.9 | 146 | 0 | 0 | 0 | 118 | L669 L670 R1756 I1757 K1758 | L669-L1754 HydrophobicContact CB-CB 3.59Å; L669-L1754 HydrophobicContact CB-CD1 4.32Å; L669-L1754 HydrophobicContact CD2-CB 3.86Å; L669-L1754 HydrophobicContact CD2-CD1 4.19Å; L669-L1754 HydrophobicContact CG-CB 3.66Å; L669-L1754 WeakPolarHBondContact O-CB 3.04Å; L669-L1754 PolarHBondContact O-N 3.25Å; L670-L1754 HydrophobicContact CD1-CD2 4.04Å; L1754-R1756 PolarHBondContact O-N 2.95Å; L1754-I1757 HydrophobicContact CG-CB 4.36Å; L1754-I1757 HydrophobicContact CG-CD1 4.45Å; L1754-I1757 CarbonylContact O-C 3.42Å; L1754-I1757 WeakPolarHBondContact O-CA 3.2Å; L1754-I1757 VanDerWaalsContact O-CB 3.32Å; L1754-I1757 WeakPolarHBondContact O-CB 3.48Å; L1754-I1757 PolarHBondContact O-N 2.81Å; L1754-K1758 PolarHBondContact O-N 2.75Å |
| 1755 | C | 40.4 | Very low | 48.2 | Very low | 10 Ų | 10 | 43.7 Ų | 43.7 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -77.6 | -6 | 164.1 | -143.2 | 0 | 0 | 0 | 0 | 111.6 | I673 N677 L1753 K1758 F1759 | I673-C1755 HydrophobicContact CB-CB 3.36Å; I673-C1755 HydrophobicContact CD1-CB 3.85Å; I673-C1755 HydrophobicContact CG1-CB 3.94Å; I673-C1755 HydrophobicContact CG2-CB 4.24Å; I673-C1755 WeakPolarHBondContact O-CB 3.26Å; I673-C1755 PolarHBondContact O-SG 2.81Å; N677-C1755 HydrophobicContact CB-CB 4.4Å; N677-C1755 PolarHBondContact ND2-O 3.32Å; N677-C1755 PolarHBondContact ND2-SG 2.89Å; N677-C1755 PolarHBondContact OD1-O 3.43Å; L1753-C1755 PolarHBondContact O-N 2.81Å; C1755-K1758 HydrophobicContact CB-CB 4.17Å; C1755-K1758 HydrophobicContact CB-CD 3.89Å; C1755-K1758 HydrophobicContact CB-CG 4.47Å; C1755-K1758 CarbonylContact O-C 3.52Å; C1755-K1758 WeakPolarHBondContact O-CA 3.4Å; C1755-K1758 PolarHBondContact O-N 2.82Å; C1755-K1758 VanDerWaalsContact O-N 3.11Å; C1755-K1758 WeakPolarHBondContact SG-CD 2.85Å; C1755-F1759 PolarHBondContact O-N 2.91Å |
| 1756 | R | 45.6 | Very low | 47.9 | Very low | 92 Ų | 92 | 42.1 Ų | 42.1 | 35% | 0.347 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -75.6 | -45.3 | 172.7 | -148.4 | -167 | -77.4 | 168.7 | -7.7 | 103.6 | I673 L1748 L1751 L1753 L1754 K1758 F1759 M1760 | I673-R1756 VanDerWaalsContact CD1-CA 3.4Å; I673-R1756 HydrophobicContact CD1-CB 3.5Å; I673-R1756 HydrophobicContact CD1-CG 4.22Å; L1748-R1756 HydrophobicContact CD2-CG 4.23Å; L1748-R1756 PolarHBondContact O-NE 3.46Å; L1748-R1756 VanDerWaalsContact O-NE 3.08Å; L1748-R1756 PolarHBondContact O-NH2 3.27Å; L1751-R1756 PolarHBondContact O-NE 3.41Å; L1751-R1756 VanDerWaalsContact O-NE 3.12Å; L1751-R1756 PolarHBondContact O-NH2 3.49Å; L1753-R1756 WeakPolarHBondContact O-CA 3.37Å; L1753-R1756 WeakPolarHBondContact O-CB 3.28Å; L1753-R1756 PolarHBondContact O-N 3.31Å; L1754-R1756 PolarHBondContact O-N 2.95Å; R1756-K1758 PolarHBondContact O-N 3.09Å; R1756-F1759 PolarHBondContact O-N 3.16Å; R1756-M1760 WeakPolarHBondContact O-CB 3.3Å; R1756-M1760 WeakPolarHBondContact O-CG 3.24Å; R1756-M1760 PolarHBondContact O-N 3.32Å |
| 1757 | I | 46 | Very low | 48.2 | Very low | 84 Ų | 84 | 42.8 Ų | 42.8 | 43% | 0.431 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.8 | -38.6 | 159.6 | -54.7 | 174 | 0 | 0 | 0 | 112.2 | L1753 L1754 N1761 | L1753-I1757 PolarHBondContact O-N 3.06Å; L1754-I1757 HydrophobicContact CG-CB 4.36Å; L1754-I1757 HydrophobicContact CG-CD1 4.45Å; L1754-I1757 CarbonylContact O-C 3.42Å; L1754-I1757 WeakPolarHBondContact O-CA 3.2Å; L1754-I1757 VanDerWaalsContact O-CB 3.32Å; L1754-I1757 WeakPolarHBondContact O-CB 3.48Å; L1754-I1757 PolarHBondContact O-N 2.81Å; I1757-N1761 WeakPolarHBondContact O-CA 3.43Å; I1757-N1761 WeakPolarHBondContact O-CB 3.41Å; I1757-N1761 PolarHBondContact O-N 3.09Å; I1757-N1761 PolarHBondContact O-OD1 3.32Å; I1757-N1761 VanDerWaalsContact O-OD1 3.08Å |
| 1758 | K | 41.3 | Very low | 48.3 | Very low | 66 Ų | 66 | 45.4 Ų | 45.4 | 29% | 0.287 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.4 | -33.8 | 172.3 | -68.9 | 161.3 | 172.2 | 162 | 0 | 114.7 | L670 L1754 C1755 R1756 F1762 | L670-K1758 VanDerWaalsContact CD1-CE 3.45Å; L670-K1758 PolarHBondContact O-NZ 2.89Å; L1754-K1758 PolarHBondContact O-N 2.75Å; C1755-K1758 HydrophobicContact CB-CB 4.17Å; C1755-K1758 HydrophobicContact CB-CD 3.89Å; C1755-K1758 HydrophobicContact CB-CG 4.47Å; C1755-K1758 CarbonylContact O-C 3.52Å; C1755-K1758 WeakPolarHBondContact O-CA 3.4Å; C1755-K1758 PolarHBondContact O-N 2.82Å; C1755-K1758 VanDerWaalsContact O-N 3.11Å; C1755-K1758 WeakPolarHBondContact SG-CD 2.85Å; R1756-K1758 PolarHBondContact O-N 3.09Å; K1758-F1762 WeakPolarHBondContact O-CA 3.07Å; K1758-F1762 WeakPolarHBondContact O-CB 3.44Å; K1758-F1762 PolarHBondContact O-N 3.31Å |
| 1759 | F | 51.7 | Low | 48.1 | Very low | 14 Ų | 14 | 47.7 Ų | 47.7 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -77 | -35.3 | 175.3 | 172.4 | -103.1 | 0 | 0 | 0 | 111.3 | L1670 L1673 A1674 L1748 C1755 R1756 F1762 C1763 | L1670-F1759 HydrophobicContact CB-CE2 3.78Å; L1670-F1759 HydrophobicContact CB-CZ 3.75Å; L1670-F1759 HydrophobicContact CD1-CD1 3.78Å; L1670-F1759 HydrophobicContact CD1-CD2 3.76Å; L1670-F1759 HydrophobicContact CD1-CE1 3.72Å; L1670-F1759 HydrophobicContact CD1-CE2 3.71Å; L1670-F1759 HydrophobicContact CD1-CG 3.8Å; L1670-F1759 HydrophobicContact CD1-CZ 3.69Å; L1670-F1759 HydrophobicContact CD2-CE1 4.18Å; L1670-F1759 HydrophobicContact CD2-CZ 4.2Å; L1670-F1759 HydrophobicContact CG-CE1 4.37Å; L1670-F1759 HydrophobicContact CG-CE2 4.32Å; L1670-F1759 HydrophobicContact CG-CZ 4.09Å; L1670-F1759 WeakPolarHBondContact O-CZ 3.02Å; L1673-F1759 HydrophobicContact CD2-CE1 3.77Å; L1673-F1759 HydrophobicContact CD2-CZ 4.07Å; A1674-F1759 HydrophobicContact CB-CE2 4.04Å; A1674-F1759 HydrophobicContact CB-CZ 4.17Å; L1748-F1759 HydrophobicContact CD2-CD1 4.26Å; C1755-F1759 PolarHBondContact O-N 2.91Å; R1756-F1759 PolarHBondContact O-N 3.16Å; F1759-F1762 HydrophobicContact CD2-CD1 4.33Å; F1759-F1762 HydrophobicContact CE2-CD1 4.5Å; F1759-F1762 PolarHBondContact O-N 3.27Å; F1759-C1763 WeakPolarHBondContact CZ-SG 3.43Å; F1759-C1763 WeakPolarHBondContact O-CB 2.96Å; F1759-C1763 PolarHBondContact O-N 3.01Å; F1759-C1763 PolarHBondContact O-SG 3.41Å |
| 1760 | M | 59.2 | Low | 48.1 | Very low | 77 Ų | 77 | 47 Ų | 47 | 38% | 0.379 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -73.3 | -36.5 | 172.9 | -66.5 | -74 | -93.4 | 0 | 0 | 111.1 | R1756 C1763 S1764 | R1756-M1760 WeakPolarHBondContact O-CB 3.3Å; R1756-M1760 WeakPolarHBondContact O-CG 3.24Å; R1756-M1760 PolarHBondContact O-N 3.32Å; M1760-C1763 PolarHBondContact O-N 3.28Å; M1760-S1764 VanDerWaalsContact O-CB 3.26Å; M1760-S1764 WeakPolarHBondContact O-CB 3.5Å; M1760-S1764 PolarHBondContact O-N 3.02Å; M1760-S1764 PolarHBondContact O-OG 2.92Å |
| 1761 | N | 50.7 | Low | 48.6 | Very low | 88 Ų | 88 | 49.3 Ų | 49.3 | 47% | 0.471 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -70.4 | -34.9 | 169.2 | -69.6 | 3.4 | 0 | 0 | 0 | 110.6 | I1757 T1765 | I1757-N1761 WeakPolarHBondContact O-CA 3.43Å; I1757-N1761 WeakPolarHBondContact O-CB 3.41Å; I1757-N1761 PolarHBondContact O-N 3.09Å; I1757-N1761 PolarHBondContact O-OD1 3.32Å; I1757-N1761 VanDerWaalsContact O-OD1 3.08Å; N1761-T1765 WeakPolarHBondContact O-CA 3.35Å; N1761-T1765 WeakPolarHBondContact O-CB 3.24Å; N1761-T1765 PolarHBondContact O-N 3.32Å; N1761-T1765 PolarHBondContact O-OG1 3.31Å |
| 1762 | F | 50.8 | Low | 49 | Very low | 93 Ų | 93 | 54.5 Ų | 54.5 | 41% | 0.408 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.8 | -48.6 | 170.4 | 171.5 | -97.9 | 0 | 0 | 0 | 110.3 | A1674 K1758 F1759 S1764 T1765 V1766 | A1674-F1762 HydrophobicContact CB-CE1 4.21Å; K1758-F1762 WeakPolarHBondContact O-CA 3.07Å; K1758-F1762 WeakPolarHBondContact O-CB 3.44Å; K1758-F1762 PolarHBondContact O-N 3.31Å; F1759-F1762 HydrophobicContact CD2-CD1 4.33Å; F1759-F1762 HydrophobicContact CE2-CD1 4.5Å; F1759-F1762 PolarHBondContact O-N 3.27Å; F1762-S1764 PolarHBondContact O-N 3.5Å; F1762-T1765 PolarHBondContact O-N 3.17Å; F1762-V1766 HydrophobicContact CD1-CG2 4.35Å; F1762-V1766 HydrophobicContact CD2-CG2 3.87Å; F1762-V1766 HydrophobicContact CE1-CG2 4.19Å; F1762-V1766 HydrophobicContact CE2-CG2 3.69Å; F1762-V1766 HydrophobicContact CG-CG2 4.21Å; F1762-V1766 HydrophobicContact CZ-CG2 3.87Å; F1762-V1766 WeakPolarHBondContact O-CB 3.17Å; F1762-V1766 WeakPolarHBondContact O-CG2 3.47Å; F1762-V1766 PolarHBondContact O-N 3.34Å |
| 1763 | C | 49.8 | Very low | 49.1 | Very low | 4 Ų | 4 | 56.6 Ų | 56.6 | 3% | 0.027 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.1 | -51.6 | 172.8 | -75.4 | 0 | 0 | 0 | 0 | 110.4 | K1677 F1759 M1760 T1765 V1766 V1767 | K1677-C1763 HydrophobicContact CD-CB 4.41Å; F1759-C1763 WeakPolarHBondContact CZ-SG 3.43Å; F1759-C1763 WeakPolarHBondContact O-CB 2.96Å; F1759-C1763 PolarHBondContact O-N 3.01Å; F1759-C1763 PolarHBondContact O-SG 3.41Å; M1760-C1763 PolarHBondContact O-N 3.28Å; C1763-T1765 PolarHBondContact O-N 2.91Å; C1763-V1766 PolarHBondContact O-N 3.37Å; C1763-V1767 WeakPolarHBondContact O-CB 3.36Å; C1763-V1767 WeakPolarHBondContact O-CG2 3.41Å; C1763-V1767 PolarHBondContact O-N 2.91Å |
| 1764 | S | 55.6 | Low | 49.5 | Very low | 72 Ų | 72 | 55.4 Ų | 55.4 | 50% | 0.503 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 179.5 | -57.6 | 0 | 0 | 0 | 0 | 112.4 | M1760 F1762 A1768 | M1760-S1764 VanDerWaalsContact O-CB 3.26Å; M1760-S1764 WeakPolarHBondContact O-CB 3.5Å; M1760-S1764 PolarHBondContact O-N 3.02Å; M1760-S1764 PolarHBondContact O-OG 2.92Å; F1762-S1764 PolarHBondContact O-N 3.5Å; S1764-A1768 WeakPolarHBondContact O-CB 2.9Å; S1764-A1768 PolarHBondContact O-N 2.84Å |
| 1765 | T | 45.4 | Very low | 50.4 | Low | 66 Ų | 66 | 58.1 Ų | 58.1 | 41% | 0.405 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70 | -38.8 | 177.5 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | N1761 F1762 C1763 K1769 | N1761-T1765 WeakPolarHBondContact O-CA 3.35Å; N1761-T1765 WeakPolarHBondContact O-CB 3.24Å; N1761-T1765 PolarHBondContact O-N 3.32Å; N1761-T1765 PolarHBondContact O-OG1 3.31Å; F1762-T1765 PolarHBondContact O-N 3.17Å; C1763-T1765 PolarHBondContact O-N 2.91Å; T1765-K1769 WeakPolarHBondContact O-CB 3.17Å; T1765-K1769 PolarHBondContact O-N 3.48Å |
| 1766 | V | 46.7 | Very low | 50.7 | Low | 29 Ų | 29 | 61.7 Ų | 61.7 | 18% | 0.176 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -76.9 | -34.9 | 177.7 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | C1678 F1762 C1763 T1770 | C1678-V1766 WeakPolarHBondContact SG-CG1 3.49Å; F1762-V1766 HydrophobicContact CD1-CG2 4.35Å; F1762-V1766 HydrophobicContact CD2-CG2 3.87Å; F1762-V1766 HydrophobicContact CE1-CG2 4.19Å; F1762-V1766 HydrophobicContact CE2-CG2 3.69Å; F1762-V1766 HydrophobicContact CG-CG2 4.21Å; F1762-V1766 HydrophobicContact CZ-CG2 3.87Å; F1762-V1766 WeakPolarHBondContact O-CB 3.17Å; F1762-V1766 WeakPolarHBondContact O-CG2 3.47Å; F1762-V1766 PolarHBondContact O-N 3.34Å; C1763-V1766 PolarHBondContact O-N 3.37Å; V1766-T1770 WeakPolarHBondContact O-CA 3.28Å; V1766-T1770 WeakPolarHBondContact O-CB 3.09Å; V1766-T1770 PolarHBondContact O-N 3.33Å; V1766-T1770 PolarHBondContact O-OG1 3.16Å |
| 1767 | V | 58.6 | Low | 50.9 | Low | 34 Ų | 34 | 62.5 Ų | 62.5 | 21% | 0.206 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62 | -51.6 | 169.5 | 160.4 | 0 | 0 | 0 | 0 | 110.3 | K1677 A1681 C1763 K1769 T1770 N1771 | K1677-V1767 HydrophobicContact CB-CG2 4.13Å; A1681-V1767 HydrophobicContact CB-CB 4.4Å; A1681-V1767 HydrophobicContact CB-CG1 3.72Å; A1681-V1767 HydrophobicContact CB-CG2 4.17Å; C1763-V1767 WeakPolarHBondContact O-CB 3.36Å; C1763-V1767 WeakPolarHBondContact O-CG2 3.41Å; C1763-V1767 PolarHBondContact O-N 2.91Å; V1767-K1769 PolarHBondContact O-N 3.32Å; V1767-T1770 CarbonylContact O-C 3.56Å; V1767-T1770 WeakPolarHBondContact O-CB 3.3Å; V1767-T1770 PolarHBondContact O-N 3.34Å; V1767-T1770 VanDerWaalsContact O-N 3.13Å; V1767-N1771 WeakPolarHBondContact O-CB 3.48Å; V1767-N1771 PolarHBondContact O-N 3.08Å; V1767-N1771 PolarHBondContact O-OD1 3.37Å |
| 1768 | A | 53.8 | Low | 51.4 | Low | 55 Ų | 55 | 59.2 Ų | 59.2 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | S1764 T1770 N1771 H1772 | S1764-A1768 WeakPolarHBondContact O-CB 2.9Å; S1764-A1768 PolarHBondContact O-N 2.84Å; A1768-T1770 VanDerWaalsContact C-N 3.27Å; A1768-T1770 PolarHBondContact O-N 2.8Å; A1768-N1771 PolarHBondContact O-N 3.3Å; A1768-H1772 WeakPolarHBondContact O-CB 3.47Å; A1768-H1772 PolarHBondContact O-N 3.39Å |
| 1769 | K | 45.6 | Very low | 51.7 | Low | 61 Ų | 61 | 59.2 Ų | 59.2 | 27% | 0.265 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66 | -29.6 | 175.9 | -156.4 | 162.9 | -169.7 | 168.4 | 0 | 111 | T1231 T1232 T1765 V1767 T1773 | T1231-K1769 PolarHBondContact O-NZ 3.28Å; T1232-K1769 PolarHBondContact OG1-NZ 3.05Å; T1232-K1769 VanDerWaalsContact OG1-NZ 3.1Å; T1765-K1769 WeakPolarHBondContact O-CB 3.17Å; T1765-K1769 PolarHBondContact O-N 3.48Å; V1767-K1769 PolarHBondContact O-N 3.32Å; K1769-T1773 WeakPolarHBondContact O-CB 3.34Å; K1769-T1773 PolarHBondContact O-N 3.49Å; K1769-T1773 PolarHBondContact O-OG1 3.21Å |
| 1770 | T | 51 | Low | 51.4 | Low | 33 Ų | 33 | 63 Ų | 63 | 20% | 0.202 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -71.3 | -50.2 | 172.6 | -63.2 | 0 | 0 | 0 | 0 | 111.2 | V1766 V1767 A1768 H1772 T1773 T1774 | V1766-T1770 WeakPolarHBondContact O-CA 3.28Å; V1766-T1770 WeakPolarHBondContact O-CB 3.09Å; V1766-T1770 PolarHBondContact O-N 3.33Å; V1766-T1770 PolarHBondContact O-OG1 3.16Å; V1767-T1770 CarbonylContact O-C 3.56Å; V1767-T1770 WeakPolarHBondContact O-CB 3.3Å; V1767-T1770 PolarHBondContact O-N 3.34Å; V1767-T1770 VanDerWaalsContact O-N 3.13Å; A1768-T1770 VanDerWaalsContact C-N 3.27Å; A1768-T1770 PolarHBondContact O-N 2.8Å; T1770-H1772 VanDerWaalsContact C-N 3.35Å; T1770-H1772 PolarHBondContact O-N 3.38Å; T1770-T1773 CarbonylContact O-C 3.55Å; T1770-T1773 PolarHBondContact O-N 3.45Å; T1770-T1773 VanDerWaalsContact O-N 3.13Å; T1770-T1774 WeakPolarHBondContact O-CB 2.95Å; T1770-T1774 PolarHBondContact O-N 3.09Å; T1770-T1774 PolarHBondContact O-OG1 3.17Å |
| 1771 | N | 59.3 | Low | 51 | Low | 50 Ų | 50 | 60.4 Ų | 60.4 | 27% | 0.267 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -54.7 | -49.9 | 176.3 | -73.1 | -3 | 0 | 0 | 0 | 111.2 | A1681 V1685 V1767 A1768 T1773 T1774 K1775 | A1681-N1771 VanDerWaalsContact CB-OD1 3.28Å; A1681-N1771 WeakPolarHBondContact CB-OD1 3.23Å; A1681-N1771 PolarHBondContact O-OD1 3.19Å; V1685-N1771 HydrophobicContact CG2-CB 3.96Å; V1685-N1771 WeakPolarHBondContact CG2-OD1 3.31Å; V1767-N1771 WeakPolarHBondContact O-CB 3.48Å; V1767-N1771 PolarHBondContact O-N 3.08Å; V1767-N1771 PolarHBondContact O-OD1 3.37Å; A1768-N1771 PolarHBondContact O-N 3.3Å; N1771-T1773 PolarHBondContact O-N 2.83Å; N1771-T1774 PolarHBondContact O-N 2.94Å; N1771-K1775 PolarHBondContact O-N 2.95Å |
| 1772 | H | 51.6 | Low | 51 | Low | 109 Ų | 109 | 60.1 Ų | 60.1 | 51% | 0.505 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 177.4 | -166.9 | -65.3 | 0 | 0 | 0 | 112.3 | A1768 T1770 T1774 Q1776 | A1768-H1772 WeakPolarHBondContact O-CB 3.47Å; A1768-H1772 PolarHBondContact O-N 3.39Å; T1770-H1772 VanDerWaalsContact C-N 3.35Å; T1770-H1772 PolarHBondContact O-N 3.38Å; H1772-T1774 VanDerWaalsContact C-N 3.32Å; H1772-T1774 PolarHBondContact O-N 3.31Å; H1772-Q1776 VanDerWaalsContact CE1-CD 3.5Å; H1772-Q1776 PolarHBondContact CE1-NE2 2.82Å; H1772-Q1776 WeakPolarHBondContact O-CB 3.33Å; H1772-Q1776 WeakPolarHBondContact O-CG 3.35Å; H1772-Q1776 PolarHBondContact O-N 3.43Å |
| 1773 | T | 45.2 | Very low | 51.1 | Low | 56 Ų | 56 | 56.7 Ų | 56.7 | 34% | 0.344 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.8 | -27.8 | 177.5 | -56.6 | 0 | 0 | 0 | 0 | 112.1 | K1769 T1770 N1771 K1777 | K1769-T1773 WeakPolarHBondContact O-CB 3.34Å; K1769-T1773 PolarHBondContact O-N 3.49Å; K1769-T1773 PolarHBondContact O-OG1 3.21Å; T1770-T1773 CarbonylContact O-C 3.55Å; T1770-T1773 PolarHBondContact O-N 3.45Å; T1770-T1773 VanDerWaalsContact O-N 3.13Å; N1771-T1773 PolarHBondContact O-N 2.83Å; T1773-K1777 HydrophobicContact CG2-CD 4.47Å; T1773-K1777 WeakPolarHBondContact O-CD 2.52Å; T1773-K1777 VanDerWaalsContact O-CG 3.23Å; T1773-K1777 WeakPolarHBondContact O-CG 3.42Å; T1773-K1777 PolarHBondContact O-N 3.06Å |
| 1774 | T | 54.2 | Low | 51 | Low | 14 Ų | 14 | 61 Ų | 61 | 9% | 0.086 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -79.5 | -47.6 | 176 | -66.3 | 0 | 0 | 0 | 0 | 110.5 | S1682 V1685 T1770 N1771 H1772 Q1776 K1777 L1778 | S1682-T1774 PolarHBondContact OG-OG1 3Å; S1682-T1774 VanDerWaalsContact OG-OG1 3.13Å; V1685-T1774 HydrophobicContact CB-CG2 4.28Å; V1685-T1774 HydrophobicContact CG1-CG2 3.72Å; T1770-T1774 WeakPolarHBondContact O-CB 2.95Å; T1770-T1774 PolarHBondContact O-N 3.09Å; T1770-T1774 PolarHBondContact O-OG1 3.17Å; N1771-T1774 PolarHBondContact O-N 2.94Å; H1772-T1774 VanDerWaalsContact C-N 3.32Å; H1772-T1774 PolarHBondContact O-N 3.31Å; T1774-Q1776 VanDerWaalsContact C-N 3.31Å; T1774-Q1776 PolarHBondContact O-N 3.34Å; T1774-K1777 PolarHBondContact O-N 2.69Å; T1774-L1778 HydrophobicContact CG2-CD1 3.77Å; T1774-L1778 HydrophobicContact CG2-CG 4.37Å; T1774-L1778 WeakPolarHBondContact O-CG 2.48Å; T1774-L1778 PolarHBondContact O-N 3.36Å |
| 1775 | K | 56.7 | Low | 50.5 | Low | 114 Ų | 114 | 60.7 Ų | 60.7 | 50% | 0.496 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -54.9 | -44.1 | 171.4 | -69.8 | -160.8 | 176.8 | -166 | 0 | 111.2 | V1685 E1688 N1771 K1777 L1778 S1779 | V1685-K1775 HydrophobicContact CG1-CD 4.42Å; V1685-K1775 HydrophobicContact CG1-CG 3.5Å; V1685-K1775 VanDerWaalsContact CG1-CG 3.5Å; E1688-K1775 IonicContact OE2-NZ 2.62Å; E1688-K1775 PolarHBondContact OE2-NZ 3.38Å; N1771-K1775 PolarHBondContact O-N 2.95Å; K1775-K1777 VanDerWaalsContact C-N 3.32Å; K1775-K1777 PolarHBondContact O-N 3.05Å; K1775-L1778 PolarHBondContact O-N 2.99Å; K1775-S1779 PolarHBondContact O-N 2.8Å; K1775-S1779 PolarHBondContact O-OG 3.14Å |
| 1776 | Q | 46.1 | Very low | 50.5 | Low | 85 Ų | 85 | 64.6 Ų | 64.6 | 40% | 0.397 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.9 | -19.5 | 175.1 | -80.7 | -167.6 | -30.5 | 0 | 0 | 116.1 | H1772 T1774 K1780 | H1772-Q1776 VanDerWaalsContact CE1-CD 3.5Å; H1772-Q1776 PolarHBondContact CE1-NE2 2.82Å; H1772-Q1776 WeakPolarHBondContact O-CB 3.33Å; H1772-Q1776 WeakPolarHBondContact O-CG 3.35Å; H1772-Q1776 PolarHBondContact O-N 3.43Å; T1774-Q1776 VanDerWaalsContact C-N 3.31Å; T1774-Q1776 PolarHBondContact O-N 3.34Å; Q1776-K1780 WeakPolarHBondContact O-CD 3.35Å; Q1776-K1780 WeakPolarHBondContact O-CG 3.24Å |
| 1777 | K | 48.8 | Very low | 50.3 | Low | 109 Ų | 109 | 69.7 Ų | 69.7 | 47% | 0.474 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -84.1 | -37.3 | 172.6 | -78.2 | 165 | -171.6 | 154.6 | 0 | 111.3 | T1773 T1774 K1775 K1780 T1781 | T1773-K1777 HydrophobicContact CG2-CD 4.47Å; T1773-K1777 WeakPolarHBondContact O-CD 2.52Å; T1773-K1777 VanDerWaalsContact O-CG 3.23Å; T1773-K1777 WeakPolarHBondContact O-CG 3.42Å; T1773-K1777 PolarHBondContact O-N 3.06Å; T1774-K1777 PolarHBondContact O-N 2.69Å; K1775-K1777 VanDerWaalsContact C-N 3.32Å; K1775-K1777 PolarHBondContact O-N 3.05Å; K1777-K1780 CarbonylContact O-C 3.44Å; K1777-K1780 PolarHBondContact O-N 3.45Å; K1777-T1781 PolarHBondContact O-N 3.3Å |
| 1778 | L | 56.5 | Low | 49.5 | Very low | 15 Ų | 15 | 70.1 Ų | 70.1 | 8% | 0.079 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -72.6 | -38.9 | -179.8 | -65.1 | 168.8 | 0 | 0 | 0 | 111.4 | V1685 K1686 F1689 T1774 K1775 K1780 T1781 | V1685-L1778 HydrophobicContact CG1-CD1 4.33Å; K1686-L1778 HydrophobicContact CG-CD1 4.47Å; F1689-L1778 HydrophobicContact CB-CD1 3.8Å; F1689-L1778 HydrophobicContact CD1-CB 4.18Å; F1689-L1778 HydrophobicContact CD1-CD1 3.99Å; F1689-L1778 HydrophobicContact CD1-CD2 3.87Å; F1689-L1778 HydrophobicContact CD1-CG 4.22Å; F1689-L1778 HydrophobicContact CD2-CB 3.84Å; F1689-L1778 HydrophobicContact CD2-CD1 4.33Å; F1689-L1778 HydrophobicContact CE1-CB 4.13Å; F1689-L1778 HydrophobicContact CE1-CD2 3.89Å; F1689-L1778 HydrophobicContact CE1-CG 4.43Å; F1689-L1778 HydrophobicContact CE2-CB 3.79Å; F1689-L1778 HydrophobicContact CG-CB 4.04Å; F1689-L1778 HydrophobicContact CG-CD1 3.78Å; F1689-L1778 HydrophobicContact CG-CD2 4.43Å; F1689-L1778 HydrophobicContact CG-CG 4.29Å; F1689-L1778 HydrophobicContact CZ-CB 3.93Å; F1689-L1778 HydrophobicContact CZ-CD2 4.47Å; T1774-L1778 HydrophobicContact CG2-CD1 3.77Å; T1774-L1778 HydrophobicContact CG2-CG 4.37Å; T1774-L1778 WeakPolarHBondContact O-CG 2.48Å; T1774-L1778 PolarHBondContact O-N 3.36Å; K1775-L1778 PolarHBondContact O-N 2.99Å; L1778-K1780 VanDerWaalsContact C-N 3.28Å; L1778-K1780 PolarHBondContact O-N 3.17Å; L1778-T1781 PolarHBondContact O-N 3.1Å; L1778-T1781 PolarHBondContact O-OG1 3.12Å |
| 1779 | S | 48.7 | Very low | 48.9 | Very low | 65 Ų | 65 | 72.3 Ų | 72.3 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.4 | -32.9 | 171.5 | 64.3 | 0 | 0 | 0 | 0 | 112.8 | K1775 T1781 L1782 | K1775-S1779 PolarHBondContact O-N 2.8Å; K1775-S1779 PolarHBondContact O-OG 3.14Å; S1779-T1781 PolarHBondContact O-N 2.94Å; S1779-L1782 PolarHBondContact O-N 2.61Å |
| 1780 | K | 45 | Very low | 49 | Very low | 94 Ų | 94 | 73.8 Ų | 73.8 | 41% | 0.409 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 6.3 | 171.6 | -70.7 | -179.3 | 177.8 | 179 | 0 | 114.2 | F1164 Q1776 K1777 L1778 | F1164-K1780 HydrophobicContact CE2-CD 4.42Å; Q1776-K1780 WeakPolarHBondContact O-CD 3.35Å; Q1776-K1780 WeakPolarHBondContact O-CG 3.24Å; K1777-K1780 CarbonylContact O-C 3.44Å; K1777-K1780 PolarHBondContact O-N 3.45Å; L1778-K1780 VanDerWaalsContact C-N 3.28Å; L1778-K1780 PolarHBondContact O-N 3.17Å |
| 1781 | T | 51.6 | Low | 48.7 | Very low | 23 Ų | 23 | 79.3 Ų | 79.3 | 14% | 0.141 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | 10.1 | 168.9 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | R1701 H1702 K1777 L1778 S1779 | R1701-T1781 HydrophobicContact CB-CG2 4.26Å; R1701-T1781 WeakPolarHBondContact CB-O 3.29Å; R1701-T1781 PolarHBondContact N-O 3.49Å; H1702-T1781 PolarHBondContact ND1-OG1 3.38Å; K1777-T1781 PolarHBondContact O-N 3.3Å; L1778-T1781 PolarHBondContact O-N 3.1Å; L1778-T1781 PolarHBondContact O-OG1 3.12Å; S1779-T1781 PolarHBondContact O-N 2.94Å |
| 1782 | L | 51.1 | Low | 47.8 | Very low | 81 Ų | 81 | 86 Ų | 86 | 42% | 0.424 | 44% | 0.438 | S | S | . | . | trans | -72.7 | 143.1 | 156.6 | -52.8 | 176.4 | 0 | 0 | 0 | 108.5 | F1689 I1698 S1779 | F1689-L1782 HydrophobicContact CE2-CD2 4.38Å; F1689-L1782 HydrophobicContact CZ-CD2 4.29Å; I1698-L1782 HydrophobicContact CG2-CD2 3.84Å; S1779-L1782 PolarHBondContact O-N 2.61Å | ||
| 1783 | V | 51.1 | Low | 47.9 | Very low | 22 Ų | 22 | 87.4 Ų | 87.4 | 13% | 0.133 | 44% | 0.443 | C | S | . | . | trans | -144.3 | -37.5 | -172.8 | -176 | 0 | 0 | 0 | 0 | 113.3 | R1701 I1879 | R1701-V1783 HydrophobicContact CB-CG2 3.77Å; R1701-V1783 HydrophobicContact CG-CG2 3.77Å; V1783-I1879 HydrophobicContact CG1-CG2 4.42Å | ||
| 1784 | Y | 48.5 | Very low | 48.4 | Very low | 93 Ų | 93 | 89.8 Ų | 89.8 | 37% | 0.365 | 45% | 0.453 | S | S | . | . | B | Isolated β-bridge | trans | -125.7 | 150.1 | -174.3 | -54.4 | -66 | 0 | 0 | 0 | 110.8 | G1788 | Y1784-G1788 WeakPolarHBondContact CD1-O 3.29Å |
| 1785 | D | 45.9 | Very low | 48.7 | Very low | 66 Ų | 66 | 90.1 Ų | 90.1 | 35% | 0.353 | 46% | 0.456 | S | S | . | . | trans | -84.4 | -170.3 | 157.9 | 44.7 | 40.3 | 0 | 0 | 0 | 110.2 | D1787 G1788 N1789 | D1785-D1787 PolarHBondContact O-N 2.64Å; D1785-D1787 PolarHBondContact OD1-N 3.25Å; D1785-G1788 PolarHBondContact O-N 2.92Å; D1785-G1788 PolarHBondContact OD1-N 2.99Å; D1785-N1789 WeakPolarHBondContact OD1-CB 3.41Å; D1785-N1789 PolarHBondContact OD1-N 2.98Å | ||
| 1786 | N | 43.8 | Very low | 49.3 | Very low | 149 Ų | 149 | 88.7 Ų | 88.7 | 80% | 0.797 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -31.8 | -176.8 | -68.1 | -1.3 | 0 | 0 | 0 | 112.7 | ||
| 1787 | D | 44.3 | Very low | 50.2 | Low | 135 Ų | 135 | 88.9 Ų | 88.9 | 72% | 0.722 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 4.2 | -172.9 | -46.9 | -55.1 | 0 | 0 | 0 | 112.7 | D1785 | D1785-D1787 PolarHBondContact O-N 2.64Å; D1785-D1787 PolarHBondContact OD1-N 3.25Å |
| 1788 | G | 40.1 | Very low | 51.3 | Low | 44 Ų | 44 | 84.7 Ų | 84.7 | 45% | 0.454 | 43% | 0.434 | S | S | . | . | trans | 79.8 | 14.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | Y1784 D1785 | Y1784-G1788 WeakPolarHBondContact CD1-O 3.29Å; D1785-G1788 PolarHBondContact O-N 2.92Å; D1785-G1788 PolarHBondContact OD1-N 2.99Å | ||
| 1789 | N | 42.1 | Very low | 52.4 | Low | 100 Ų | 100 | 84.4 Ų | 84.4 | 54% | 0.535 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 161.4 | -178.4 | -74.1 | -62.5 | 0 | 0 | 0 | 112.8 | D1785 | D1785-N1789 WeakPolarHBondContact OD1-CB 3.41Å; D1785-N1789 PolarHBondContact OD1-N 2.98Å |
| 1790 | L | 47.6 | Very low | 54 | Low | 92 Ų | 92 | 83.6 Ų | 83.6 | 48% | 0.482 | 43% | 0.428 | S | S | . | . | B | Isolated β-bridge | trans | -98 | 118.4 | -175.6 | -158 | 102.6 | 0 | 0 | 0 | 110.8 | Q1792 | L1790-Q1792 PolarHBondContact O-N 3.13Å |
| 1791 | F | 45.2 | Very low | 56.1 | Low | 149 Ų | 149 | 82 Ų | 82 | 65% | 0.654 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 131.1 | -176.7 | -126.4 | -91.1 | 0 | 0 | 0 | 113.2 | F1793 | F1791-F1793 WeakPolarHBondContact O-CD2 3.19Å; F1791-F1793 PolarHBondContact O-N 3.43Å |
| 1792 | Q | 41 | Very low | 57.8 | Low | 190 Ų | 190 | 83.9 Ų | 83.9 | 89% | 0.888 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 125 | -168 | -67.3 | 179.4 | -12.5 | 0 | 0 | 115 | L1790 | L1790-Q1792 PolarHBondContact O-N 3.13Š|
| 1793 | F | 52.2 | Low | 59.4 | Low | 140 Ų | 140 | 80.7 Ų | 80.7 | 61% | 0.614 | 42% | 0.417 | S | S | * | . | trans | -133.2 | 126.3 | 167.3 | -83.2 | -83.4 | 0 | 0 | 0 | 110.8 | F1791 P1795 | F1791-F1793 WeakPolarHBondContact O-CD2 3.19Å; F1791-F1793 PolarHBondContact O-N 3.43Å; F1793-P1795 VanDerWaalsContact O-CD 3.23Å; F1793-P1795 WeakPolarHBondContact O-CD 2.95Å | ||
| 1794 | N | 56.8 | Low | 60.9 | Low | 105 Ų | 105 | 85.3 Ų | 85.3 | 56% | 0.561 | 45% | 0.445 | S | S | * | . | trans | -69.1 | 119.4 | 170.8 | -180 | -66.9 | 0 | 0 | 0 | 111 | D1796 K1797 | N1794-D1796 PolarHBondContact OD1-N 3Å; N1794-K1797 PolarHBondContact OD1-N 3.34Å | ||
| 1795 | P | 60.4 | Low | 62.5 | Low | 21 Ų | 21 | 81.7 Ų | 81.7 | 14% | 0.136 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -79 | -38.3 | -176.1 | -19.1 | 34.8 | 0 | 0 | 0 | 114.8 | F1793 K1797 Y1798 K1812 E1813 | F1793-P1795 VanDerWaalsContact O-CD 3.23Å; F1793-P1795 WeakPolarHBondContact O-CD 2.95Å; P1795-K1797 PolarHBondContact O-N 3.05Å; P1795-Y1798 PolarHBondContact O-N 3.07Å; P1795-K1812 HydrophobicContact CB-CB 3.85Å; P1795-K1812 HydrophobicContact CG-CB 4.31Å; P1795-E1813 HydrophobicContact CG-CG 4.11Å |
| 1796 | D | 68.3 | Low | 64.2 | Low | 85 Ų | 85 | 90 Ų | 90 | 46% | 0.455 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -19.7 | -167.7 | -67.3 | -55.4 | 0 | 0 | 0 | 113.8 | N1794 Y1798 K1812 | N1794-D1796 PolarHBondContact OD1-N 3Å; D1796-Y1798 PolarHBondContact O-N 2.93Å; D1796-Y1798 VanDerWaalsContact O-N 3.12Å; D1796-K1812 WeakPolarHBondContact OD1-CD 3.48Å; D1796-K1812 VanDerWaalsContact OD1-CE 3.28Å; D1796-K1812 WeakPolarHBondContact OD1-CE 3.49Å; D1796-K1812 IonicContact OD1-NZ 3.28Å; D1796-K1812 PolarHBondContact OD1-NZ 3.46Å; D1796-K1812 IonicContact OD2-NZ 2.69Å; D1796-K1812 PolarHBondContact OD2-NZ 3.31Å |
| 1797 | K | 66.3 | Low | 66.2 | Low | 88 Ų | 88 | 83.8 Ų | 83.8 | 38% | 0.383 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -10.8 | 172.8 | -177.6 | 177.5 | 161.7 | -163.9 | 0 | 114.4 | K1182 N1794 P1795 | K1182-K1797 VanDerWaalsContact CD-CE 3.45Å; N1794-K1797 PolarHBondContact OD1-N 3.34Å; P1795-K1797 PolarHBondContact O-N 3.05Å |
| 1798 | Y | 71.4 | Confident | 68.1 | Low | 21 Ų | 21 | 79.9 Ų | 79.9 | 8% | 0.082 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.2 | -7.4 | -174.9 | -43.4 | -75.9 | 0 | 0 | 0 | 115 | R1179 P1795 D1796 G1907 V1908 | R1179-Y1798 HydrophobicContact CB-CE1 4.35Å; R1179-Y1798 HydrophobicContact CG-CD1 3.75Å; R1179-Y1798 HydrophobicContact CG-CE1 3.17Å; R1179-Y1798 HydrophobicContact CG-CE2 4.41Å; P1795-Y1798 PolarHBondContact O-N 3.07Å; D1796-Y1798 PolarHBondContact O-N 2.93Å; D1796-Y1798 VanDerWaalsContact O-N 3.12Å; Y1798-G1907 CarbonylContact O-C 3.42Å; Y1798-G1907 WeakPolarHBondContact O-CA 2.88Å; Y1798-V1908 PolarHBondContact O-N 3.3Å |
| 1799 | V | 80.1 | Confident | 69.7 | Low | 10 Ų | 10 | 82.4 Ų | 82.4 | 6% | 0.061 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 99.6 | 179.1 | -174.2 | 0 | 0 | 0 | 0 | 108 | N1801 L1807 L1815 | V1799-N1801 PolarHBondContact O-N 3.27Å; V1799-L1807 HydrophobicContact CG1-CD1 3.86Å; V1799-L1815 HydrophobicContact CG1-CB 4.33Å; V1799-L1815 HydrophobicContact CG1-CD1 4.12Å; V1799-L1815 HydrophobicContact CG2-CB 3.72Å |
| 1800 | S | 82.3 | Confident | 71.4 | Confident | 48 Ų | 48 | 81.3 Ų | 81.3 | 34% | 0.336 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 85.9 | 176.3 | -66.2 | 0 | 0 | 0 | 0 | 109.1 | L1802 V1908 V1909 V1910 | S1800-L1802 PolarHBondContact O-N 2.82Å; S1800-V1908 PolarHBondContact N-O 3.44Å; S1800-V1909 WeakPolarHBondContact O-CA 3.08Å; S1800-V1910 PolarHBondContact O-N 3.13Å; S1800-V1910 VanDerWaalsContact O-N 3.16Å |
| 1801 | N | 88.7 | Confident | 73 | Confident | 60 Ų | 60 | 78 Ų | 78 | 32% | 0.321 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 110.1 | 175.4 | -168.1 | 17.5 | 0 | 0 | 0 | 110.3 | V1799 S1803 V1805 L1807 | V1799-N1801 PolarHBondContact O-N 3.27Å; N1801-S1803 PolarHBondContact OD1-N 3.34Å; N1801-S1803 PolarHBondContact OD1-OG 2.93Å; N1801-V1805 PolarHBondContact ND2-O 2.84Å; N1801-L1807 HydrophobicContact CB-CD1 4.18Å |
| 1802 | L | 86.2 | Confident | 74.6 | Confident | 62 Ų | 62 | 73.7 Ų | 73.7 | 33% | 0.325 | 37% | 0.369 | S | S | . | . | trans | -104.7 | -5.1 | 171.7 | -52.6 | 178.2 | 0 | 0 | 0 | 111.5 | S1800 V1909 V1910 I1911 I1989 | S1800-L1802 PolarHBondContact O-N 2.82Å; L1802-V1909 HydrophobicContact CD1-CG1 3.67Å; L1802-V1909 HydrophobicContact CG-CG1 4.14Å; L1802-V1910 CarbonylContact C-O 3.33Å; L1802-V1910 VanDerWaalsContact CA-O 3.29Å; L1802-V1910 WeakPolarHBondContact CA-O 3.07Å; L1802-V1910 VanDerWaalsContact CB-O 3.32Å; L1802-V1910 WeakPolarHBondContact CB-O 3.37Å; L1802-V1910 PolarHBondContact N-O 3.24Å; L1802-I1911 HydrophobicContact CB-CB 4.5Å; L1802-I1911 HydrophobicContact CB-CG1 4.49Å; L1802-I1989 HydrophobicContact CD1-CD1 3.72Å; L1802-I1989 HydrophobicContact CD2-CD1 4.04Å | ||
| 1803 | S | 85.6 | Confident | 76.1 | Confident | 14 Ų | 14 | 67.1 Ų | 67.1 | 10% | 0.098 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -78.9 | 163 | 175.4 | 75.4 | 0 | 0 | 0 | 0 | 111.9 | N1801 V1805 V1910 N1912 | N1801-S1803 PolarHBondContact OD1-N 3.34Å; N1801-S1803 PolarHBondContact OD1-OG 2.93Å; S1803-V1805 PolarHBondContact O-N 3.34Å; S1803-V1805 WeakPolarHBondContact OG-CB 3.34Å; S1803-V1805 PolarHBondContact OG-N 2.8Å; S1803-V1910 PolarHBondContact N-O 3.43Å; S1803-N1912 WeakPolarHBondContact CA-OD1 3.32Å; S1803-N1912 WeakPolarHBondContact CB-OD1 3.46Å |
| 1804 | T | 82.5 | Confident | 77.2 | Confident | 120 Ų | 120 | 60.6 Ų | 60.6 | 74% | 0.736 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -73.8 | -3.6 | 172.3 | 39.3 | 0 | 0 | 0 | 0 | 113.6 | N1912 | T1804-N1912 PolarHBondContact N-OD1 2.9Å; T1804-N1912 PolarHBondContact OG1-ND2 3.43Å |
| 1805 | V | 82.6 | Confident | 78.2 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 10% | 0.097 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 130 | -174.7 | -174 | 0 | 0 | 0 | 0 | 111.6 | N1801 S1803 I1897 | N1801-V1805 PolarHBondContact ND2-O 2.84Å; S1803-V1805 PolarHBondContact O-N 3.34Å; S1803-V1805 WeakPolarHBondContact OG-CB 3.34Å; S1803-V1805 PolarHBondContact OG-N 2.8Å; V1805-I1897 HydrophobicContact CG2-CG2 3.66Å |
| 1806 | R | 81.7 | Confident | 78.8 | Confident | 242 Ų | 242 | 55.8 Ų | 55.8 | 91% | 0.913 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 124.1 | 166.5 | -74.1 | -173.8 | 175.8 | -174 | 0.5 | 110 | ||
| 1807 | L | 85.7 | Confident | 78.8 | Confident | 17 Ų | 17 | 53.8 Ų | 53.8 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -94.6 | 129.2 | 176.7 | -60.8 | 170.5 | 0 | 0 | 0 | 110.5 | V1799 N1801 E1811 K1812 L1815 L1891 | V1799-L1807 HydrophobicContact CG1-CD1 3.86Å; N1801-L1807 HydrophobicContact CB-CD1 4.18Å; L1807-E1811 HydrophobicContact CB-CB 4.48Å; L1807-K1812 HydrophobicContact CB-CG 3.85Å; L1807-L1815 HydrophobicContact CD1-CD1 3.98Å; L1807-L1815 HydrophobicContact CD2-CD1 4.26Å; L1807-L1891 HydrophobicContact CD2-CD2 3.63Å |
| 1808 | S | 82.9 | Confident | 79 | Confident | 54 Ų | 54 | 50 Ų | 50 | 38% | 0.378 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 168.6 | 174.5 | 67.6 | 0 | 0 | 0 | 0 | 112.9 | E1811 K1812 | S1808-E1811 VanDerWaalsContact CB-OE2 3.22Å; S1808-E1811 WeakPolarHBondContact CB-OE2 3.13Å; S1808-E1811 PolarHBondContact N-OE2 3.24Å; S1808-E1811 PolarHBondContact O-N 3.01Å; S1808-E1811 WeakPolarHBondContact OG-CB 3.33Å; S1808-E1811 VanDerWaalsContact OG-CD 3.27Å; S1808-E1811 VanDerWaalsContact OG-CG 3.25Å; S1808-E1811 WeakPolarHBondContact OG-CG 3.38Å; S1808-E1811 PolarHBondContact OG-N 3.04Å; S1808-E1811 PolarHBondContact OG-OE2 2.7Å; S1808-K1812 WeakPolarHBondContact O-CB 3.38Å; S1808-K1812 WeakPolarHBondContact O-CG 3.1Å; S1808-K1812 PolarHBondContact O-N 3.37Å |
| 1809 | V | 74.4 | Confident | 78.8 | Confident | 97 Ų | 97 | 51.2 Ų | 51.2 | 59% | 0.588 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -58 | -51.3 | 179.1 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | E1811 K1812 E1813 | V1809-E1811 PolarHBondContact O-N 2.67Å; V1809-K1812 WeakPolarHBondContact O-CB 3.31Å; V1809-K1812 PolarHBondContact O-N 3.26Å; V1809-E1813 HydrophobicContact CG1-CG 4.27Å; V1809-E1813 WeakPolarHBondContact O-CB 3.18Å; V1809-E1813 VanDerWaalsContact O-CG 3.3Å; V1809-E1813 WeakPolarHBondContact O-CG 3.39Å; V1809-E1813 PolarHBondContact O-N 3.19Å |
| 1810 | F | 77.9 | Confident | 77.7 | Confident | 77 Ų | 77 | 51.8 Ų | 51.8 | 34% | 0.338 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.9 | -34.2 | -179.2 | -59.4 | -60.8 | 0 | 0 | 0 | 113.2 | E1813 A1814 K1883 H1884 A1887 | F1810-E1813 WeakPolarHBondContact CD1-OE2 3.32Å; F1810-A1814 VanDerWaalsContact O-CB 3.25Å; F1810-A1814 WeakPolarHBondContact O-CB 3.44Å; F1810-A1814 PolarHBondContact O-N 2.85Å; F1810-K1883 HydrophobicContact CD1-CB 4.3Å; F1810-K1883 HydrophobicContact CD2-CB 4.15Å; F1810-K1883 HydrophobicContact CE1-CB 4.31Å; F1810-K1883 HydrophobicContact CE1-CD 4.4Å; F1810-K1883 HydrophobicContact CE2-CB 4.16Å; F1810-K1883 HydrophobicContact CE2-CD 3.89Å; F1810-K1883 HydrophobicContact CG-CB 4.23Å; F1810-K1883 HydrophobicContact CZ-CB 4.25Å; F1810-K1883 HydrophobicContact CZ-CD 3.72Å; F1810-H1884 AromaticContact CD1-CE1 3.94Å; F1810-A1887 HydrophobicContact CB-CB 3.87Å |
| 1811 | E | 81.2 | Confident | 76.6 | Confident | 22 Ų | 22 | 50.5 Ų | 50.5 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.2 | -47.8 | 172.3 | -74.4 | 168.4 | 132.4 | 0 | 0 | 111.1 | L1807 S1808 V1809 A1814 L1815 A1887 L1891 | L1807-E1811 HydrophobicContact CB-CB 4.48Å; S1808-E1811 VanDerWaalsContact CB-OE2 3.22Å; S1808-E1811 WeakPolarHBondContact CB-OE2 3.13Å; S1808-E1811 PolarHBondContact N-OE2 3.24Å; S1808-E1811 PolarHBondContact O-N 3.01Å; S1808-E1811 WeakPolarHBondContact OG-CB 3.33Å; S1808-E1811 VanDerWaalsContact OG-CD 3.27Å; S1808-E1811 VanDerWaalsContact OG-CG 3.25Å; S1808-E1811 WeakPolarHBondContact OG-CG 3.38Å; S1808-E1811 PolarHBondContact OG-N 3.04Å; S1808-E1811 PolarHBondContact OG-OE2 2.7Å; V1809-E1811 PolarHBondContact O-N 2.67Å; E1811-A1814 PolarHBondContact O-N 3.11Å; E1811-L1815 VanDerWaalsContact O-CB 3.23Å; E1811-L1815 WeakPolarHBondContact O-CB 3.36Å; E1811-L1815 VanDerWaalsContact O-CG 3.25Å; E1811-L1815 WeakPolarHBondContact O-CG 3.42Å; E1811-L1815 PolarHBondContact O-N 2.86Å; E1811-A1887 HydrophobicContact CB-CB 4.42Å; E1811-A1887 HydrophobicContact CG-CB 3.65Å; E1811-L1891 HydrophobicContact CB-CD1 4.02Å; E1811-L1891 HydrophobicContact CG-CD1 3.95Å; E1811-L1891 HydrophobicContact CG-CD2 4.42Å; E1811-L1891 HydrophobicContact CG-CG 4.03Å; E1811-L1891 WeakPolarHBondContact OE1-CD2 3.18Å |
| 1812 | K | 79.4 | Confident | 75 | Confident | 59 Ų | 59 | 50.8 Ų | 50.8 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 175.1 | -76.2 | -173.9 | 178.5 | -163.1 | 0 | 111.8 | P1795 D1796 L1807 S1808 V1809 L1815 S1816 | P1795-K1812 HydrophobicContact CB-CB 3.85Å; P1795-K1812 HydrophobicContact CG-CB 4.31Å; D1796-K1812 WeakPolarHBondContact OD1-CD 3.48Å; D1796-K1812 VanDerWaalsContact OD1-CE 3.28Å; D1796-K1812 WeakPolarHBondContact OD1-CE 3.49Å; D1796-K1812 IonicContact OD1-NZ 3.28Å; D1796-K1812 PolarHBondContact OD1-NZ 3.46Å; D1796-K1812 IonicContact OD2-NZ 2.69Å; D1796-K1812 PolarHBondContact OD2-NZ 3.31Å; L1807-K1812 HydrophobicContact CB-CG 3.85Å; S1808-K1812 WeakPolarHBondContact O-CB 3.38Å; S1808-K1812 WeakPolarHBondContact O-CG 3.1Å; S1808-K1812 PolarHBondContact O-N 3.37Å; V1809-K1812 WeakPolarHBondContact O-CB 3.31Å; V1809-K1812 PolarHBondContact O-N 3.26Å; K1812-L1815 PolarHBondContact O-N 3.49Å; K1812-S1816 VanDerWaalsContact O-CB 3.25Å; K1812-S1816 WeakPolarHBondContact O-CB 3.45Å; K1812-S1816 PolarHBondContact O-N 2.68Å |
| 1813 | E | 72.3 | Confident | 73.3 | Confident | 52 Ų | 52 | 48.8 Ų | 48.8 | 24% | 0.243 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.5 | -51.5 | 178.9 | -75.7 | 175.5 | 142.7 | 0 | 0 | 110.9 | P1795 V1809 F1810 S1816 H1884 | P1795-E1813 HydrophobicContact CG-CG 4.11Å; V1809-E1813 HydrophobicContact CG1-CG 4.27Å; V1809-E1813 WeakPolarHBondContact O-CB 3.18Å; V1809-E1813 VanDerWaalsContact O-CG 3.3Å; V1809-E1813 WeakPolarHBondContact O-CG 3.39Å; V1809-E1813 PolarHBondContact O-N 3.19Å; F1810-E1813 WeakPolarHBondContact CD1-OE2 3.32Å; E1813-S1816 WeakPolarHBondContact O-CB 3.15Å; E1813-S1816 PolarHBondContact O-N 3.48Å; E1813-S1816 PolarHBondContact O-OG 3.07Å; E1813-H1884 IonicContact OE2-CE1 2.71Å; E1813-H1884 IonicContact OE2-NE2 2.85Å |
| 1814 | A | 74.6 | Confident | 71.3 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1810 E1811 S1816 L1817 L1888 | F1810-A1814 VanDerWaalsContact O-CB 3.25Å; F1810-A1814 WeakPolarHBondContact O-CB 3.44Å; F1810-A1814 PolarHBondContact O-N 2.85Å; E1811-A1814 PolarHBondContact O-N 3.11Å; A1814-S1816 VanDerWaalsContact C-N 3.3Å; A1814-S1816 PolarHBondContact O-N 2.78Å; A1814-L1817 WeakPolarHBondContact O-CB 3.28Å; A1814-L1817 PolarHBondContact O-N 3.36Å; A1814-L1888 HydrophobicContact CB-CD1 3.99Å; A1814-L1888 HydrophobicContact CB-CD2 3.83Å; A1814-L1888 HydrophobicContact CB-CG 3.72Å |
| 1815 | L | 78.1 | Confident | 69.3 | Low | 15 Ų | 15 | 53.9 Ų | 53.9 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -32.7 | 174.9 | -74.5 | 177.8 | 0 | 0 | 0 | 112.5 | V1799 L1807 E1811 K1812 L1817 G1818 L1891 V1908 | V1799-L1815 HydrophobicContact CG1-CB 4.33Å; V1799-L1815 HydrophobicContact CG1-CD1 4.12Å; V1799-L1815 HydrophobicContact CG2-CB 3.72Å; L1807-L1815 HydrophobicContact CD1-CD1 3.98Å; L1807-L1815 HydrophobicContact CD2-CD1 4.26Å; E1811-L1815 VanDerWaalsContact O-CB 3.23Å; E1811-L1815 WeakPolarHBondContact O-CB 3.36Å; E1811-L1815 VanDerWaalsContact O-CG 3.25Å; E1811-L1815 WeakPolarHBondContact O-CG 3.42Å; E1811-L1815 PolarHBondContact O-N 2.86Å; K1812-L1815 PolarHBondContact O-N 3.49Å; L1815-L1817 PolarHBondContact O-N 2.23Å; L1815-G1818 WeakPolarHBondContact O-CA 3.39Å; L1815-G1818 PolarHBondContact O-N 3.11Å; L1815-L1891 HydrophobicContact CD1-CD1 3.69Å; L1815-L1891 HydrophobicContact CD2-CD1 3.98Å; L1815-L1891 HydrophobicContact CG-CD1 3.74Å; L1815-V1908 HydrophobicContact CD2-CG1 4.37Å; L1815-V1908 WeakPolarHBondContact O-CG2 3.18Å |
| 1816 | S | 72.8 | Confident | 67.4 | Low | 10 Ų | 10 | 56.3 Ų | 56.3 | 7% | 0.07 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63 | -26.9 | 179.9 | 85.8 | 0 | 0 | 0 | 0 | 112.5 | R1179 K1812 E1813 A1814 | R1179-S1816 VanDerWaalsContact NH2-C 3.28Å; R1179-S1816 PolarHBondContact NH2-O 2.92Å; R1179-S1816 PolarHBondContact NH2-OG 3.04Å; R1179-S1816 VanDerWaalsContact NH2-OG 3.1Å; K1812-S1816 VanDerWaalsContact O-CB 3.25Å; K1812-S1816 WeakPolarHBondContact O-CB 3.45Å; K1812-S1816 PolarHBondContact O-N 2.68Å; E1813-S1816 WeakPolarHBondContact O-CB 3.15Å; E1813-S1816 PolarHBondContact O-N 3.48Å; E1813-S1816 PolarHBondContact O-OG 3.07Å; A1814-S1816 VanDerWaalsContact C-N 3.3Å; A1814-S1816 PolarHBondContact O-N 2.78Å |
| 1817 | L | 68.4 | Low | 65.3 | Low | 43 Ų | 43 | 52.1 Ų | 52.1 | 23% | 0.225 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.7 | -44.3 | 172.6 | -52.2 | 168 | 0 | 0 | 0 | 109.8 | L1170 N1176 A1814 L1815 F1821 L1880 | L1170-L1817 HydrophobicContact CD2-CB 4.25Å; L1170-L1817 WeakPolarHBondContact CD2-O 3.42Å; N1176-L1817 PolarHBondContact ND2-O 3.32Å; A1814-L1817 WeakPolarHBondContact O-CB 3.28Å; A1814-L1817 PolarHBondContact O-N 3.36Å; L1815-L1817 PolarHBondContact O-N 2.23Å; L1817-F1821 HydrophobicContact CB-CD2 3.39Å; L1817-F1821 HydrophobicContact CB-CE2 3.61Å; L1817-F1821 HydrophobicContact CB-CG 4.18Å; L1817-F1821 HydrophobicContact CD1-CB 4.28Å; L1817-F1821 HydrophobicContact CD1-CD1 3.98Å; L1817-F1821 HydrophobicContact CD1-CD2 3.66Å; L1817-F1821 HydrophobicContact CD1-CE1 4.03Å; L1817-F1821 HydrophobicContact CD1-CE2 3.71Å; L1817-F1821 HydrophobicContact CD1-CG 3.76Å; L1817-F1821 HydrophobicContact CD1-CZ 3.86Å; L1817-F1821 HydrophobicContact CD2-CE2 4.05Å; L1817-F1821 HydrophobicContact CD2-CZ 4.37Å; L1817-F1821 HydrophobicContact CG-CD2 4.05Å; L1817-F1821 HydrophobicContact CG-CE2 3.98Å; L1817-F1821 HydrophobicContact CG-CZ 4.49Å; L1817-L1880 HydrophobicContact CD1-CD2 3.92Å |
| 1818 | G | 70 | Confident | 63.2 | Low | 8 Ų | 8 | 55.4 Ų | 55.4 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | trans | 103.9 | -180 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1815 N1820 F1821 | L1815-G1818 WeakPolarHBondContact O-CA 3.39Å; L1815-G1818 PolarHBondContact O-N 3.11Å; G1818-N1820 PolarHBondContact O-N 2.2Å; G1818-F1821 PolarHBondContact O-N 3.35Å | ||
| 1819 | F | 67.7 | Low | 61.4 | Low | 47 Ų | 47 | 55.7 Ų | 55.7 | 21% | 0.206 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 23 | -172.2 | -67.5 | -80.8 | 0 | 0 | 0 | 119.7 | S1822 I1899 L1900 R1901 V1908 | F1819-S1822 PolarHBondContact O-OG 3.28Å; F1819-I1899 HydrophobicContact CE1-CB 4.46Å; F1819-I1899 HydrophobicContact CE1-CG2 3.71Å; F1819-I1899 WeakPolarHBondContact CE1-O 2.9Å; F1819-I1899 HydrophobicContact CZ-CG2 3.86Å; F1819-I1899 WeakPolarHBondContact CZ-O 3.35Å; F1819-L1900 WeakPolarHBondContact CZ-O 3.1Å; F1819-R1901 HydrophobicContact CD2-CG 4Å; F1819-R1901 HydrophobicContact CE2-CG 3.51Å; F1819-R1901 HydrophobicContact CZ-CG 4.1Å; F1819-V1908 HydrophobicContact CD2-CG2 4.15Å; F1819-V1908 HydrophobicContact CE2-CB 4.29Å; F1819-V1908 HydrophobicContact CE2-CG1 4.23Å; F1819-V1908 HydrophobicContact CE2-CG2 3.84Å; F1819-V1908 HydrophobicContact CZ-CG1 3.98Å; F1819-V1908 HydrophobicContact CZ-CG2 4.33Å |
| 1820 | N | 56.8 | Low | 60.3 | Low | 23 Ų | 23 | 54 Ų | 54 | 12% | 0.123 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.3 | -22.5 | -165.8 | -46.3 | -42.9 | 0 | 0 | 0 | 111.7 | L1170 Q1171 N1173 G1818 | L1170-N1820 HydrophobicContact CB-CB 4.31Å; L1170-N1820 HydrophobicContact CD2-CB 3.85Å; L1170-N1820 WeakPolarHBondContact CD2-ND2 3.46Å; Q1171-N1820 HydrophobicContact CB-CB 4.19Å; Q1171-N1820 VanDerWaalsContact CB-OD1 3.29Å; Q1171-N1820 WeakPolarHBondContact CB-OD1 3.25Å; Q1171-N1820 HydrophobicContact CG-CB 3.9Å; Q1171-N1820 VanDerWaalsContact N-CB 3.28Å; Q1171-N1820 PolarHBondContact N-ND2 2.88Å; Q1171-N1820 VanDerWaalsContact N-ND2 3.14Å; Q1171-N1820 PolarHBondContact O-ND2 2.21Å; N1173-N1820 PolarHBondContact ND2-ND2 2.23Å; N1173-N1820 PolarHBondContact ND2-OD1 3.12Å; N1173-N1820 PolarHBondContact OD1-ND2 3.38Å; N1173-N1820 VanDerWaalsContact OD1-ND2 3.13Å; G1818-N1820 PolarHBondContact O-N 2.2Å |
| 1821 | F | 59.5 | Low | 59.2 | Low | 21 Ų | 21 | 57 Ų | 57 | 9% | 0.092 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -92.1 | -0.5 | 162 | -77.7 | -94 | 0 | 0 | 0 | 112.3 | N1168 K1169 L1170 L1817 G1818 V1823 L1880 L1888 | N1168-F1821 WeakPolarHBondContact O-CE2 3.41Å; N1168-F1821 WeakPolarHBondContact O-CZ 3.45Å; K1169-F1821 HydrophobicContact CB-CD1 4.37Å; K1169-F1821 HydrophobicContact CB-CE1 3.73Å; K1169-F1821 HydrophobicContact CB-CE2 4.11Å; K1169-F1821 HydrophobicContact CB-CZ 3.61Å; K1169-F1821 HydrophobicContact CD-CE1 4.07Å; L1170-F1821 HydrophobicContact CD1-CE2 4.49Å; L1170-F1821 HydrophobicContact CD2-CD2 3.46Å; L1170-F1821 VanDerWaalsContact CD2-CD2 3.46Å; L1170-F1821 HydrophobicContact CD2-CE2 3.52Å; L1170-F1821 HydrophobicContact CG-CD2 4.26Å; L1170-F1821 HydrophobicContact CG-CE2 3.86Å; L1817-F1821 HydrophobicContact CB-CD2 3.39Å; L1817-F1821 HydrophobicContact CB-CE2 3.61Å; L1817-F1821 HydrophobicContact CB-CG 4.18Å; L1817-F1821 HydrophobicContact CD1-CB 4.28Å; L1817-F1821 HydrophobicContact CD1-CD1 3.98Å; L1817-F1821 HydrophobicContact CD1-CD2 3.66Å; L1817-F1821 HydrophobicContact CD1-CE1 4.03Å; L1817-F1821 HydrophobicContact CD1-CE2 3.71Å; L1817-F1821 HydrophobicContact CD1-CG 3.76Å; L1817-F1821 HydrophobicContact CD1-CZ 3.86Å; L1817-F1821 HydrophobicContact CD2-CE2 4.05Å; L1817-F1821 HydrophobicContact CD2-CZ 4.37Å; L1817-F1821 HydrophobicContact CG-CD2 4.05Å; L1817-F1821 HydrophobicContact CG-CE2 3.98Å; L1817-F1821 HydrophobicContact CG-CZ 4.49Å; G1818-F1821 PolarHBondContact O-N 3.35Å; F1821-V1823 PolarHBondContact O-N 2.53Å; F1821-L1880 HydrophobicContact CD1-CD1 4.24Å; F1821-L1880 HydrophobicContact CD1-CD2 4.17Å; F1821-L1880 HydrophobicContact CD1-CG 4.16Å; F1821-L1880 HydrophobicContact CE1-CD2 4.45Å; F1821-L1888 VanDerWaalsContact O-CD1 3.3Å; F1821-L1888 WeakPolarHBondContact O-CD1 3.2Å |
| 1822 | S | 54.5 | Low | 57.8 | Low | 65 Ų | 65 | 57.8 Ų | 57.8 | 46% | 0.455 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -47.9 | 138.2 | 176.3 | 47 | 0 | 0 | 0 | 0 | 111.1 | F1819 A1824 | F1819-S1822 PolarHBondContact O-OG 3.28Å; S1822-A1824 PolarHBondContact O-N 2.74Å |
| 1823 | V | 50.4 | Low | 56.4 | Low | 21 Ų | 21 | 55.8 Ų | 55.8 | 13% | 0.127 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 125.3 | 165.8 | 168.6 | 0 | 0 | 0 | 0 | 107.5 | F1821 F1885 L1888 K1889 | F1821-V1823 PolarHBondContact O-N 2.53Å; V1823-F1885 HydrophobicContact CG2-CD1 3.98Å; V1823-L1888 HydrophobicContact CB-CB 4.38Å; V1823-L1888 HydrophobicContact CG2-CB 3.56Å; V1823-L1888 HydrophobicContact CG2-CD1 4.35Å; V1823-K1889 HydrophobicContact CG1-CG 4.32Å |
| 1824 | A | 44.4 | Very low | 55.9 | Low | 71 Ų | 71 | 56.7 Ų | 56.7 | 59% | 0.587 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 143.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | S1822 T1826 | S1822-A1824 PolarHBondContact O-N 2.74Å; A1824-T1826 PolarHBondContact O-N 3.28Å |
| 1825 | H | 40.6 | Very low | 55.2 | Low | 169 Ų | 169 | 59.1 Ų | 59.1 | 78% | 0.782 | 33% | 0.334 | S | S | * | . | trans | -44.1 | 125.1 | -170 | -78.8 | -101.3 | 0 | 0 | 0 | 112.2 | ||||
| 1826 | T | 41.4 | Very low | 54.2 | Low | 68 Ų | 68 | 64.2 Ų | 64.2 | 42% | 0.417 | 36% | 0.357 | S | S | . | . | trans | -50.1 | 140.2 | 177.3 | 42.3 | 0 | 0 | 0 | 0 | 110.8 | A1824 I1828 K1889 | A1824-T1826 PolarHBondContact O-N 3.28Å; T1826-I1828 PolarHBondContact O-N 2.65Å; T1826-K1889 HydrophobicContact CG2-CG 4.49Å | ||
| 1827 | K | 38.8 | Very low | 53.9 | Low | 154 Ų | 154 | 65.8 Ų | 65.8 | 67% | 0.67 | 36% | 0.363 | S | S | * | . | trans | 4 | 104 | 175.4 | -83.4 | -156.8 | 172.9 | -153.7 | 0 | 113.5 | S1829 D1830 | K1827-S1829 PolarHBondContact O-N 2.68Å; K1827-D1830 IonicContact NZ-OD1 3.59Å; K1827-D1830 PolarHBondContact NZ-OD1 2.7Å; K1827-D1830 IonicContact NZ-OD2 3.88Å; K1827-D1830 PolarHBondContact NZ-OD2 2.6Å | ||
| 1828 | I | 41.9 | Very low | 53.7 | Low | 86 Ų | 86 | 67.7 Ų | 67.7 | 44% | 0.441 | 37% | 0.371 | S | S | . | . | trans | -50 | 122.9 | 134.9 | -52.8 | 174.3 | 0 | 0 | 0 | 103.4 | T1826 D1830 I1833 | T1826-I1828 PolarHBondContact O-N 2.65Å; I1828-D1830 PolarHBondContact O-N 2.9Å; I1828-I1833 HydrophobicContact CB-CD1 4.28Å; I1828-I1833 HydrophobicContact CB-CG1 3.87Å; I1828-I1833 HydrophobicContact CG2-CG1 3.62Å | ||
| 1829 | S | 44.7 | Very low | 53.5 | Low | 60 Ų | 60 | 70 Ų | 70 | 42% | 0.42 | 39% | 0.386 | S | S | . | . | trans | -54 | 144.1 | 178.7 | 45.5 | 0 | 0 | 0 | 0 | 107.8 | K1827 L1831 S1832 I1833 | K1827-S1829 PolarHBondContact O-N 2.68Å; S1829-L1831 PolarHBondContact O-N 2.78Å; S1829-S1832 CarbonylContact O-C 3.56Å; S1829-S1832 WeakPolarHBondContact O-CA 3.35Å; S1829-S1832 PolarHBondContact O-N 2.63Å; S1829-S1832 WeakPolarHBondContact OG-CB 3.44Å; S1829-S1832 PolarHBondContact OG-N 3.02Å; S1829-I1833 PolarHBondContact O-N 2.71Å | ||
| 1830 | D | 51 | Low | 53.2 | Low | 62 Ų | 62 | 71.5 Ų | 71.5 | 33% | 0.332 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.3 | -41.8 | -178.8 | -37.6 | -85.4 | 0 | 0 | 0 | 107.5 | K1827 I1828 S1832 I1833 D1834 H1870 | K1827-D1830 IonicContact NZ-OD1 3.59Å; K1827-D1830 PolarHBondContact NZ-OD1 2.7Å; K1827-D1830 IonicContact NZ-OD2 3.88Å; K1827-D1830 PolarHBondContact NZ-OD2 2.6Å; I1828-D1830 PolarHBondContact O-N 2.9Å; D1830-S1832 VanDerWaalsContact C-N 3.31Å; D1830-S1832 PolarHBondContact O-N 2.9Å; D1830-S1832 VanDerWaalsContact O-N 3.13Å; D1830-I1833 CarbonylContact O-C 3.59Å; D1830-I1833 WeakPolarHBondContact O-CA 3.21Å; D1830-I1833 WeakPolarHBondContact O-CB 3.07Å; D1830-I1833 PolarHBondContact O-N 3.49Å; D1830-D1834 VanDerWaalsContact C-OD2 3.31Å; D1830-D1834 WeakPolarHBondContact O-CB 3.24Å; D1830-D1834 PolarHBondContact O-N 3.14Å; D1830-D1834 VanDerWaalsContact O-OD2 3.1Å; D1830-H1870 IonicContact OD1-CD2 2.68Å; D1830-H1870 IonicContact OD1-NE2 2.64Å |
| 1831 | L | 54.5 | Low | 53.8 | Low | 138 Ų | 138 | 71.5 Ų | 71.5 | 72% | 0.723 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -45.4 | -35.8 | 162.9 | -131.4 | 161.1 | 0 | 0 | 0 | 116.6 | S1829 A1835 | S1829-L1831 PolarHBondContact O-N 2.78Å; L1831-A1835 WeakPolarHBondContact O-CB 3.29Å; L1831-A1835 PolarHBondContact O-N 3.38Å |
| 1832 | S | 51.4 | Low | 54.2 | Low | 40 Ų | 40 | 74.8 Ų | 74.8 | 28% | 0.28 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -91.1 | -18.3 | 175.8 | 174.1 | 0 | 0 | 0 | 0 | 113.6 | S1829 D1830 Q1836 | S1829-S1832 CarbonylContact O-C 3.56Å; S1829-S1832 WeakPolarHBondContact O-CA 3.35Å; S1829-S1832 PolarHBondContact O-N 2.63Å; S1829-S1832 WeakPolarHBondContact OG-CB 3.44Å; S1829-S1832 PolarHBondContact OG-N 3.02Å; D1830-S1832 VanDerWaalsContact C-N 3.31Å; D1830-S1832 PolarHBondContact O-N 2.9Å; D1830-S1832 VanDerWaalsContact O-N 3.13Å; S1832-Q1836 VanDerWaalsContact O-CG 3.31Å; S1832-Q1836 WeakPolarHBondContact O-CG 3.46Å; S1832-Q1836 PolarHBondContact O-N 3.18Å |
| 1833 | I | 51.5 | Low | 54.6 | Low | 17 Ų | 17 | 77.4 Ų | 77.4 | 9% | 0.087 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -70.6 | -54.2 | 163.5 | -63.9 | 175.4 | 0 | 0 | 0 | 106.6 | I1828 S1829 D1830 A1835 Q1836 F1837 F1869 | I1828-I1833 HydrophobicContact CB-CD1 4.28Å; I1828-I1833 HydrophobicContact CB-CG1 3.87Å; I1828-I1833 HydrophobicContact CG2-CG1 3.62Å; S1829-I1833 PolarHBondContact O-N 2.71Å; D1830-I1833 CarbonylContact O-C 3.59Å; D1830-I1833 WeakPolarHBondContact O-CA 3.21Å; D1830-I1833 WeakPolarHBondContact O-CB 3.07Å; D1830-I1833 PolarHBondContact O-N 3.49Å; I1833-A1835 PolarHBondContact O-N 3.33Å; I1833-Q1836 CarbonylContact O-C 3.42Å; I1833-Q1836 WeakPolarHBondContact O-CA 3.5Å; I1833-Q1836 WeakPolarHBondContact O-CB 3.3Å; I1833-Q1836 PolarHBondContact O-N 2.8Å; I1833-F1837 HydrophobicContact CG2-CD2 3.66Å; I1833-F1837 HydrophobicContact CG2-CE2 3.82Å; I1833-F1837 WeakPolarHBondContact O-CD2 3.43Å; I1833-F1837 PolarHBondContact O-N 2.69Å; I1833-F1869 HydrophobicContact CD1-CD1 4.2Å |
| 1834 | D | 61.3 | Low | 55.2 | Low | 70 Ų | 70 | 79.4 Ų | 79.4 | 37% | 0.374 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -57.1 | -45.3 | 179.2 | -59 | -28.6 | 0 | 0 | 0 | 111.2 | D1830 Q1836 F1837 E1838 H1870 | D1830-D1834 VanDerWaalsContact C-OD2 3.31Å; D1830-D1834 WeakPolarHBondContact O-CB 3.24Å; D1830-D1834 PolarHBondContact O-N 3.14Å; D1830-D1834 VanDerWaalsContact O-OD2 3.1Å; D1834-Q1836 VanDerWaalsContact C-N 3.32Å; D1834-Q1836 PolarHBondContact O-N 3.25Å; D1834-F1837 CarbonylContact O-C 3.2Å; D1834-F1837 PolarHBondContact O-N 2.86Å; D1834-F1837 VanDerWaalsContact O-N 3.12Å; D1834-E1838 WeakPolarHBondContact O-CB 3.42Å; D1834-E1838 WeakPolarHBondContact O-CG 3.47Å; D1834-E1838 PolarHBondContact O-N 2.78Å; D1834-H1870 IonicContact OD1-CE1 3.3Å |
| 1835 | A | 60.5 | Low | 56 | Low | 54 Ų | 54 | 77.7 Ų | 77.7 | 45% | 0.446 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.5 | -29.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1831 I1833 S1839 | L1831-A1835 WeakPolarHBondContact O-CB 3.29Å; L1831-A1835 PolarHBondContact O-N 3.38Å; I1833-A1835 PolarHBondContact O-N 3.33Å; A1835-S1839 VanDerWaalsContact O-CB 3.24Å; A1835-S1839 WeakPolarHBondContact O-CB 3.29Å; A1835-S1839 PolarHBondContact O-N 3.19Å |
| 1836 | Q | 57.1 | Low | 56.8 | Low | 121 Ų | 121 | 74.7 Ų | 74.7 | 57% | 0.565 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -75.6 | -33.9 | 172 | -76.1 | 177.4 | 31.8 | 0 | 0 | 111.8 | S1832 I1833 D1834 L1840 | S1832-Q1836 VanDerWaalsContact O-CG 3.31Å; S1832-Q1836 WeakPolarHBondContact O-CG 3.46Å; S1832-Q1836 PolarHBondContact O-N 3.18Å; I1833-Q1836 CarbonylContact O-C 3.42Å; I1833-Q1836 WeakPolarHBondContact O-CA 3.5Å; I1833-Q1836 WeakPolarHBondContact O-CB 3.3Å; I1833-Q1836 PolarHBondContact O-N 2.8Å; D1834-Q1836 VanDerWaalsContact C-N 3.32Å; D1834-Q1836 PolarHBondContact O-N 3.25Å; Q1836-L1840 VanDerWaalsContact O-CB 3.31Å; Q1836-L1840 WeakPolarHBondContact O-CB 3.44Å; Q1836-L1840 PolarHBondContact O-N 2.8Å |
| 1837 | F | 64.7 | Low | 57.8 | Low | 44 Ų | 44 | 77.9 Ų | 77.9 | 19% | 0.193 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -77.2 | -32.1 | 175.6 | -85.2 | -87 | 0 | 0 | 0 | 112.8 | I1833 D1834 Y1841 L1862 V1865 A1866 | I1833-F1837 HydrophobicContact CG2-CD2 3.66Å; I1833-F1837 HydrophobicContact CG2-CE2 3.82Å; I1833-F1837 WeakPolarHBondContact O-CD2 3.43Å; I1833-F1837 PolarHBondContact O-N 2.69Å; D1834-F1837 CarbonylContact O-C 3.2Å; D1834-F1837 PolarHBondContact O-N 2.86Å; D1834-F1837 VanDerWaalsContact O-N 3.12Å; F1837-Y1841 WeakPolarHBondContact O-CB 3.25Å; F1837-Y1841 PolarHBondContact O-N 3.18Å; F1837-L1862 HydrophobicContact CD1-CB 4.04Å; F1837-L1862 HydrophobicContact CD1-CD2 3.87Å; F1837-L1862 HydrophobicContact CD1-CG 4.5Å; F1837-L1862 HydrophobicContact CE1-CD2 4.22Å; F1837-V1865 HydrophobicContact CE1-CB 4.11Å; F1837-V1865 HydrophobicContact CE1-CG1 3.65Å; F1837-V1865 HydrophobicContact CZ-CG1 3.71Å; F1837-A1866 HydrophobicContact CD2-CB 4.46Å |
| 1838 | E | 65.2 | Low | 58.3 | Low | 82 Ų | 82 | 72.3 Ų | 72.3 | 38% | 0.383 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.3 | -47.1 | 167.1 | -74.7 | -86.8 | 111.4 | 0 | 0 | 110.1 | D1834 L1840 Y1841 D1842 K1859 | D1834-E1838 WeakPolarHBondContact O-CB 3.42Å; D1834-E1838 WeakPolarHBondContact O-CG 3.47Å; D1834-E1838 PolarHBondContact O-N 2.78Å; E1838-L1840 VanDerWaalsContact C-N 3.26Å; E1838-L1840 PolarHBondContact O-N 3.49Å; E1838-Y1841 CarbonylContact O-C 3.17Å; E1838-Y1841 WeakPolarHBondContact O-CA 3.42Å; E1838-Y1841 VanDerWaalsContact O-CB 3.29Å; E1838-Y1841 WeakPolarHBondContact O-CB 3.5Å; E1838-Y1841 PolarHBondContact O-N 2.89Å; E1838-D1842 PolarHBondContact O-N 3.43Å; E1838-K1859 WeakPolarHBondContact OE1-CE 3.5Å; E1838-K1859 IonicContact OE1-NZ 3.66Å; E1838-K1859 PolarHBondContact OE1-NZ 2.74Å; E1838-K1859 IonicContact OE2-NZ 2.7Å |
| 1839 | S | 66.3 | Low | 58.6 | Low | 58 Ų | 58 | 72.3 Ų | 72.3 | 41% | 0.406 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.6 | -33.5 | 174.8 | -171.5 | 0 | 0 | 0 | 0 | 112.6 | A1835 Q1843 | A1835-S1839 VanDerWaalsContact O-CB 3.24Å; A1835-S1839 WeakPolarHBondContact O-CB 3.29Å; A1835-S1839 PolarHBondContact O-N 3.19Å; S1839-Q1843 WeakPolarHBondContact O-CB 3.33Å; S1839-Q1843 VanDerWaalsContact O-CG 3.22Å; S1839-Q1843 WeakPolarHBondContact O-CG 3.43Å; S1839-Q1843 PolarHBondContact O-N 3.1Å; S1839-Q1843 VanDerWaalsContact O-N 3.07Å; S1839-Q1843 PolarHBondContact O-NE2 3.19Å; S1839-Q1843 PolarHBondContact OG-NE2 3.02Å |
| 1840 | L | 61.7 | Low | 59.3 | Low | 77 Ų | 77 | 75.6 Ų | 75.6 | 40% | 0.403 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70.9 | -37.8 | 171.3 | -158.2 | 83.6 | 0 | 0 | 0 | 111.7 | Q1836 E1838 Q1843 L1844 L1862 | Q1836-L1840 VanDerWaalsContact O-CB 3.31Å; Q1836-L1840 WeakPolarHBondContact O-CB 3.44Å; Q1836-L1840 PolarHBondContact O-N 2.8Å; E1838-L1840 VanDerWaalsContact C-N 3.26Å; E1838-L1840 PolarHBondContact O-N 3.49Å; L1840-Q1843 PolarHBondContact O-N 3.3Å; L1840-L1844 HydrophobicContact CD2-CD1 4.36Å; L1840-L1844 HydrophobicContact CG-CD1 4.16Å; L1840-L1844 WeakPolarHBondContact O-CB 3.39Å; L1840-L1844 WeakPolarHBondContact O-CD1 3.3Å; L1840-L1844 WeakPolarHBondContact O-CG 3.43Å; L1840-L1844 PolarHBondContact O-N 3.34Å; L1840-L1844 VanDerWaalsContact O-N 3.14Å; L1840-L1862 HydrophobicContact CD2-CD2 3.94Å |
| 1841 | Y | 68.4 | Low | 60 | Low | 23 Ų | 23 | 75.6 Ų | 75.6 | 9% | 0.09 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.2 | -52.3 | 172.2 | 178 | -106.2 | 0 | 0 | 0 | 109.8 | F1837 E1838 Q1843 L1844 N1845 L1858 K1859 L1862 | F1837-Y1841 WeakPolarHBondContact O-CB 3.25Å; F1837-Y1841 PolarHBondContact O-N 3.18Å; E1838-Y1841 CarbonylContact O-C 3.17Å; E1838-Y1841 WeakPolarHBondContact O-CA 3.42Å; E1838-Y1841 VanDerWaalsContact O-CB 3.29Å; E1838-Y1841 WeakPolarHBondContact O-CB 3.5Å; E1838-Y1841 PolarHBondContact O-N 2.89Å; Y1841-Q1843 VanDerWaalsContact C-N 3.31Å; Y1841-Q1843 PolarHBondContact O-N 2.56Å; Y1841-L1844 CarbonylContact O-C 3.54Å; Y1841-L1844 WeakPolarHBondContact O-CA 3.41Å; Y1841-L1844 PolarHBondContact O-N 2.71Å; Y1841-N1845 WeakPolarHBondContact CE1-ND2 3.13Å; Y1841-N1845 VanDerWaalsContact O-CB 3.27Å; Y1841-N1845 WeakPolarHBondContact O-CB 3.14Å; Y1841-N1845 PolarHBondContact O-N 2.84Å; Y1841-L1858 HydrophobicContact CD2-CD2 3.75Å; Y1841-L1858 HydrophobicContact CD2-CG 3.92Å; Y1841-L1858 HydrophobicContact CE2-CB 4.28Å; Y1841-L1858 HydrophobicContact CE2-CD2 3.93Å; Y1841-L1858 HydrophobicContact CE2-CG 4.14Å; Y1841-K1859 HydrophobicContact CD2-CB 4.27Å; Y1841-K1859 HydrophobicContact CE1-CD 4.24Å; Y1841-K1859 HydrophobicContact CE2-CB 3.77Å; Y1841-K1859 HydrophobicContact CE2-CD 4.31Å; Y1841-K1859 HydrophobicContact CE2-CG 4.32Å; Y1841-L1862 HydrophobicContact CD2-CD1 3.94Å; Y1841-L1862 HydrophobicContact CG-CD1 4.28Å |
| 1842 | D | 67.8 | Low | 60.5 | Low | 90 Ų | 90 | 74.7 Ų | 74.7 | 48% | 0.481 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.7 | -28.9 | -179.6 | -70.6 | -27 | 0 | 0 | 0 | 114 | E1838 L1844 P1846 | E1838-D1842 PolarHBondContact O-N 3.43Å; D1842-L1844 VanDerWaalsContact C-N 3.32Å; D1842-P1846 WeakPolarHBondContact O-CD 3.45Å |
| 1843 | Q | 62.7 | Low | 60.9 | Low | 121 Ų | 121 | 78.8 Ų | 78.8 | 57% | 0.565 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -72.3 | -25.5 | 170 | -74 | 169 | 47.4 | 0 | 0 | 112.9 | S1839 L1840 Y1841 L1847 | S1839-Q1843 WeakPolarHBondContact O-CB 3.33Å; S1839-Q1843 VanDerWaalsContact O-CG 3.22Å; S1839-Q1843 WeakPolarHBondContact O-CG 3.43Å; S1839-Q1843 PolarHBondContact O-N 3.1Å; S1839-Q1843 VanDerWaalsContact O-N 3.07Å; S1839-Q1843 PolarHBondContact O-NE2 3.19Å; S1839-Q1843 PolarHBondContact OG-NE2 3.02Å; L1840-Q1843 PolarHBondContact O-N 3.3Å; Y1841-Q1843 VanDerWaalsContact C-N 3.31Å; Y1841-Q1843 PolarHBondContact O-N 2.56Å; Q1843-L1847 WeakPolarHBondContact O-CD1 3.47Å |
| 1844 | L | 64.3 | Low | 61.2 | Low | 62 Ų | 62 | 83 Ų | 83 | 33% | 0.325 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -97.4 | -22.6 | 179.7 | -67.3 | 170.2 | 0 | 0 | 0 | 113.2 | L1840 Y1841 D1842 P1846 L1847 V1848 L1858 | L1840-L1844 HydrophobicContact CD2-CD1 4.36Å; L1840-L1844 HydrophobicContact CG-CD1 4.16Å; L1840-L1844 WeakPolarHBondContact O-CB 3.39Å; L1840-L1844 WeakPolarHBondContact O-CD1 3.3Å; L1840-L1844 WeakPolarHBondContact O-CG 3.43Å; L1840-L1844 PolarHBondContact O-N 3.34Å; L1840-L1844 VanDerWaalsContact O-N 3.14Å; Y1841-L1844 CarbonylContact O-C 3.54Å; Y1841-L1844 WeakPolarHBondContact O-CA 3.41Å; Y1841-L1844 PolarHBondContact O-N 2.71Å; D1842-L1844 VanDerWaalsContact C-N 3.32Å; L1844-P1846 VanDerWaalsContact C-CD 3.49Å; L1844-L1847 CarbonylContact O-C 3.5Å; L1844-L1847 WeakPolarHBondContact O-CA 3.41Å; L1844-L1847 WeakPolarHBondContact O-CB 3.32Å; L1844-L1847 PolarHBondContact O-N 2.77Å; L1844-V1848 WeakPolarHBondContact O-CG2 3.12Å; L1844-V1848 PolarHBondContact O-N 2.9Å; L1844-L1858 HydrophobicContact CB-CD2 3.89Å; L1844-L1858 HydrophobicContact CD1-CD1 4.34Å |
| 1845 | N | 59.9 | Low | 61.4 | Low | 36 Ų | 36 | 82.9 Ų | 82.9 | 19% | 0.193 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -58.4 | -36.5 | -177.1 | -157.9 | -1.6 | 0 | 0 | 0 | 113.1 | Y1841 K1855 | Y1841-N1845 WeakPolarHBondContact CE1-ND2 3.13Å; Y1841-N1845 VanDerWaalsContact O-CB 3.27Å; Y1841-N1845 WeakPolarHBondContact O-CB 3.14Å; Y1841-N1845 PolarHBondContact O-N 2.84Å; N1845-K1855 WeakPolarHBondContact OD1-CD 3.38Å; N1845-K1855 WeakPolarHBondContact OD1-CE 3.33Å; N1845-K1855 PolarHBondContact OD1-NZ 3.34Å |
| 1846 | P | 58.3 | Low | 61.6 | Low | 106 Ų | 106 | 84 Ų | 84 | 69% | 0.688 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -77.6 | -19.2 | 171.9 | -14.4 | 30.9 | 0 | 0 | 0 | 113.6 | D1842 L1844 | D1842-P1846 WeakPolarHBondContact O-CD 3.45Å; L1844-P1846 VanDerWaalsContact C-CD 3.49Å |
| 1847 | L | 61 | Low | 61.9 | Low | 134 Ų | 134 | 85.5 Ų | 85.5 | 70% | 0.702 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -93.3 | -0.3 | -175.2 | -59.5 | 175.8 | 0 | 0 | 0 | 113 | Q1843 L1844 | Q1843-L1847 WeakPolarHBondContact O-CD1 3.47Å; L1844-L1847 CarbonylContact O-C 3.5Å; L1844-L1847 WeakPolarHBondContact O-CA 3.41Å; L1844-L1847 WeakPolarHBondContact O-CB 3.32Å; L1844-L1847 PolarHBondContact O-N 2.77Å |
| 1848 | V | 49.9 | Very low | 61.8 | Low | 38 Ų | 38 | 84.2 Ų | 84.2 | 23% | 0.23 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -123.1 | 121.3 | -177.8 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | L1844 T1850 K1854 L1858 | L1844-V1848 WeakPolarHBondContact O-CG2 3.12Å; L1844-V1848 PolarHBondContact O-N 2.9Å; V1848-T1850 PolarHBondContact O-N 3.34Å; V1848-K1854 HydrophobicContact CG1-CB 4.03Å; V1848-L1858 HydrophobicContact CG2-CD2 4.28Å |
| 1849 | P | 49.1 | Very low | 61.8 | Low | 85 Ų | 85 | 84 Ų | 84 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | trans | -64.4 | 122.7 | -171.9 | -27.3 | 35.8 | 0 | 0 | 0 | 116.5 | T1851 | P1849-T1851 VanDerWaalsContact C-N 3.29Å; P1849-T1851 PolarHBondContact O-N 2.88Å; P1849-T1851 PolarHBondContact O-OG1 2.71Å | ||
| 1850 | T | 57.8 | Low | 61.8 | Low | 129 Ų | 129 | 85 Ų | 85 | 79% | 0.791 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 33.8 | -47.4 | 151.3 | 52.7 | 0 | 0 | 0 | 0 | 122 | V1848 L1852 | V1848-T1850 PolarHBondContact O-N 3.34Å; T1850-L1852 PolarHBondContact O-N 2.82Å |
| 1851 | T | 65.6 | Low | 61.9 | Low | 62 Ų | 62 | 85.2 Ų | 85.2 | 38% | 0.38 | 44% | 0.443 | S | S | . | . | trans | -61.1 | 125.6 | -174.9 | 46.6 | 0 | 0 | 0 | 0 | 111.1 | P1849 D1853 K1854 K1855 | P1849-T1851 VanDerWaalsContact C-N 3.29Å; P1849-T1851 PolarHBondContact O-N 2.88Å; P1849-T1851 PolarHBondContact O-OG1 2.71Å; T1851-D1853 PolarHBondContact O-N 3.49Å; T1851-K1854 PolarHBondContact O-N 3.27Å; T1851-K1854 WeakPolarHBondContact OG1-CB 3.32Å; T1851-K1854 WeakPolarHBondContact OG1-CD 3.22Å; T1851-K1854 VanDerWaalsContact OG1-CG 3.24Å; T1851-K1854 WeakPolarHBondContact OG1-CG 3.41Å; T1851-K1855 PolarHBondContact O-N 3.22Å | ||
| 1852 | L | 66.3 | Low | 61.6 | Low | 119 Ų | 119 | 85.2 Ų | 85.2 | 62% | 0.623 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -54.8 | -38.1 | -177.3 | -175.1 | 62.2 | 0 | 0 | 0 | 111.8 | T1850 K1854 K1855 N1856 | T1850-L1852 PolarHBondContact O-N 2.82Å; L1852-K1854 VanDerWaalsContact C-N 3.28Å; L1852-K1854 PolarHBondContact O-N 3.4Å; L1852-K1855 PolarHBondContact O-N 3.46Å; L1852-K1855 VanDerWaalsContact O-N 3.14Å; L1852-N1856 WeakPolarHBondContact O-CB 3.28Å; L1852-N1856 PolarHBondContact O-N 2.77Å |
| 1853 | D | 59.9 | Low | 61.5 | Low | 127 Ų | 127 | 84.2 Ų | 84.2 | 68% | 0.679 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61 | -31.1 | 175.9 | -58.7 | -49.2 | 0 | 0 | 0 | 113.8 | T1851 W1857 | T1851-D1853 PolarHBondContact O-N 3.49Å; D1853-W1857 WeakPolarHBondContact O-CA 3.31Å; D1853-W1857 WeakPolarHBondContact O-CB 3.35Å; D1853-W1857 PolarHBondContact O-N 2.89Å |
| 1854 | K | 57.7 | Low | 61.3 | Low | 105 Ų | 105 | 81.7 Ų | 81.7 | 46% | 0.457 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -78 | -33.7 | 175.3 | -70.3 | -179.4 | -166 | 156.7 | 0 | 112.2 | V1848 T1851 L1852 L1858 | V1848-K1854 HydrophobicContact CG1-CB 4.03Å; T1851-K1854 PolarHBondContact O-N 3.27Å; T1851-K1854 WeakPolarHBondContact OG1-CB 3.32Å; T1851-K1854 WeakPolarHBondContact OG1-CD 3.22Å; T1851-K1854 VanDerWaalsContact OG1-CG 3.24Å; T1851-K1854 WeakPolarHBondContact OG1-CG 3.41Å; L1852-K1854 VanDerWaalsContact C-N 3.28Å; L1852-K1854 PolarHBondContact O-N 3.4Å; K1854-L1858 WeakPolarHBondContact O-CB 3.29Å; K1854-L1858 PolarHBondContact O-N 3.26Å |
| 1855 | K | 64.2 | Low | 60.9 | Low | 68 Ų | 68 | 82.2 Ų | 82.2 | 30% | 0.296 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.1 | -48.1 | 169.4 | -69.8 | -158.4 | -179 | -154.3 | 0 | 110.8 | N1845 T1851 L1852 W1857 L1858 K1859 | N1845-K1855 WeakPolarHBondContact OD1-CD 3.38Å; N1845-K1855 WeakPolarHBondContact OD1-CE 3.33Å; N1845-K1855 PolarHBondContact OD1-NZ 3.34Å; T1851-K1855 PolarHBondContact O-N 3.22Å; L1852-K1855 PolarHBondContact O-N 3.46Å; L1852-K1855 VanDerWaalsContact O-N 3.14Å; K1855-W1857 PolarHBondContact O-N 3.4Å; K1855-L1858 PolarHBondContact O-N 3.36Å; K1855-K1859 WeakPolarHBondContact O-CB 3.35Å; K1855-K1859 PolarHBondContact O-N 3.16Å |
| 1856 | N | 65.3 | Low | 60.7 | Low | 78 Ų | 78 | 80.7 Ų | 80.7 | 42% | 0.417 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 175.1 | -72.2 | -12.8 | 0 | 0 | 0 | 111.5 | L1852 L1858 K1859 V1860 | L1852-N1856 WeakPolarHBondContact O-CB 3.28Å; L1852-N1856 PolarHBondContact O-N 2.77Å; N1856-L1858 PolarHBondContact O-N 2.9Å; N1856-K1859 PolarHBondContact O-N 2.83Å; N1856-V1860 VanDerWaalsContact O-CB 3.24Å; N1856-V1860 WeakPolarHBondContact O-CB 2.96Å; N1856-V1860 WeakPolarHBondContact O-CG2 3.03Å; N1856-V1860 PolarHBondContact O-N 3.38Å |
| 1857 | W | 64.1 | Low | 60.7 | Low | 152 Ų | 152 | 81.7 Ų | 81.7 | 58% | 0.576 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61 | -43.3 | 173.9 | 172.3 | 93.3 | 0 | 0 | 0 | 112.2 | D1853 K1855 K1861 | D1853-W1857 WeakPolarHBondContact O-CA 3.31Å; D1853-W1857 WeakPolarHBondContact O-CB 3.35Å; D1853-W1857 PolarHBondContact O-N 2.89Å; K1855-W1857 PolarHBondContact O-N 3.4Å; W1857-K1861 HydrophobicContact CD2-CG 4.15Å; W1857-K1861 HydrophobicContact CZ2-CG 4.03Å; W1857-K1861 VanDerWaalsContact O-CB 3.28Å; W1857-K1861 WeakPolarHBondContact O-CB 3.21Å; W1857-K1861 VanDerWaalsContact O-CG 3.28Å; W1857-K1861 WeakPolarHBondContact O-CG 3.27Å; W1857-K1861 PolarHBondContact O-N 3.21Å |
| 1858 | L | 61.3 | Low | 60.3 | Low | 16 Ų | 16 | 81.6 Ų | 81.6 | 8% | 0.084 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 177.1 | -179.4 | 67.6 | 0 | 0 | 0 | 110.4 | Y1841 L1844 V1848 K1854 K1855 N1856 K1861 L1862 | Y1841-L1858 HydrophobicContact CD2-CD2 3.75Å; Y1841-L1858 HydrophobicContact CD2-CG 3.92Å; Y1841-L1858 HydrophobicContact CE2-CB 4.28Å; Y1841-L1858 HydrophobicContact CE2-CD2 3.93Å; Y1841-L1858 HydrophobicContact CE2-CG 4.14Å; L1844-L1858 HydrophobicContact CB-CD2 3.89Å; L1844-L1858 HydrophobicContact CD1-CD1 4.34Å; V1848-L1858 HydrophobicContact CG2-CD2 4.28Å; K1854-L1858 WeakPolarHBondContact O-CB 3.29Å; K1854-L1858 PolarHBondContact O-N 3.26Å; K1855-L1858 PolarHBondContact O-N 3.36Å; N1856-L1858 PolarHBondContact O-N 2.9Å; L1858-K1861 PolarHBondContact O-N 3.33Å; L1858-L1862 HydrophobicContact CD1-CD1 4.33Å; L1858-L1862 HydrophobicContact CD1-CG 4.47Å; L1858-L1862 HydrophobicContact CG-CD1 4.17Å; L1858-L1862 WeakPolarHBondContact O-CG 3.2Å; L1858-L1862 PolarHBondContact O-N 2.75Å |
| 1859 | K | 67 | Low | 60.4 | Low | 79 Ų | 79 | 85.7 Ų | 85.7 | 34% | 0.343 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 177.7 | -160.7 | 152.8 | -171.2 | 153.9 | 0 | 110.9 | E1838 Y1841 K1855 N1856 K1861 L1862 V1863 | E1838-K1859 WeakPolarHBondContact OE1-CE 3.5Å; E1838-K1859 IonicContact OE1-NZ 3.66Å; E1838-K1859 PolarHBondContact OE1-NZ 2.74Å; E1838-K1859 IonicContact OE2-NZ 2.7Å; Y1841-K1859 HydrophobicContact CD2-CB 4.27Å; Y1841-K1859 HydrophobicContact CE1-CD 4.24Å; Y1841-K1859 HydrophobicContact CE2-CB 3.77Å; Y1841-K1859 HydrophobicContact CE2-CD 4.31Å; Y1841-K1859 HydrophobicContact CE2-CG 4.32Å; K1855-K1859 WeakPolarHBondContact O-CB 3.35Å; K1855-K1859 PolarHBondContact O-N 3.16Å; N1856-K1859 PolarHBondContact O-N 2.83Å; K1859-K1861 VanDerWaalsContact C-N 3.31Å; K1859-K1861 PolarHBondContact O-N 3.04Å; K1859-L1862 PolarHBondContact O-N 3.12Å; K1859-V1863 VanDerWaalsContact O-CB 3.27Å; K1859-V1863 WeakPolarHBondContact O-CB 3.28Å; K1859-V1863 WeakPolarHBondContact O-CG2 3.45Å; K1859-V1863 PolarHBondContact O-N 2.82Å |
| 1860 | V | 66.4 | Low | 60.5 | Low | 79 Ų | 79 | 84.2 Ų | 84.2 | 48% | 0.479 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.6 | -34.3 | 172.3 | 168.9 | 0 | 0 | 0 | 0 | 112.3 | N1856 D1864 | N1856-V1860 VanDerWaalsContact O-CB 3.24Å; N1856-V1860 WeakPolarHBondContact O-CB 2.96Å; N1856-V1860 WeakPolarHBondContact O-CG2 3.03Å; N1856-V1860 PolarHBondContact O-N 3.38Å; V1860-D1864 VanDerWaalsContact O-CB 3.29Å; V1860-D1864 WeakPolarHBondContact O-CB 3.42Å; V1860-D1864 PolarHBondContact O-N 2.72Å |
| 1861 | K | 62.4 | Low | 59.9 | Low | 80 Ų | 80 | 81 Ų | 81 | 35% | 0.348 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -75.3 | -36.4 | 176.8 | -79.9 | -73.9 | 154 | -69.6 | 0 | 113 | W1857 L1858 K1859 D1864 V1865 | W1857-K1861 HydrophobicContact CD2-CG 4.15Å; W1857-K1861 HydrophobicContact CZ2-CG 4.03Å; W1857-K1861 VanDerWaalsContact O-CB 3.28Å; W1857-K1861 WeakPolarHBondContact O-CB 3.21Å; W1857-K1861 VanDerWaalsContact O-CG 3.28Å; W1857-K1861 WeakPolarHBondContact O-CG 3.27Å; W1857-K1861 PolarHBondContact O-N 3.21Å; L1858-K1861 PolarHBondContact O-N 3.33Å; K1859-K1861 VanDerWaalsContact C-N 3.31Å; K1859-K1861 PolarHBondContact O-N 3.04Å; K1861-D1864 IonicContact NZ-OD2 2.64Å; K1861-D1864 PolarHBondContact NZ-OD2 3.41Å; K1861-D1864 PolarHBondContact O-N 2.74Å; K1861-V1865 VanDerWaalsContact O-CG2 3.27Å; K1861-V1865 WeakPolarHBondContact O-CG2 3.33Å; K1861-V1865 PolarHBondContact O-N 2.63Å |
| 1862 | L | 62.9 | Low | 58.8 | Low | 23 Ų | 23 | 81.5 Ų | 81.5 | 12% | 0.12 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -69.7 | -38.8 | 172.1 | -66.8 | 173.6 | 0 | 0 | 0 | 110.7 | F1837 L1840 Y1841 L1858 K1859 V1865 A1866 | F1837-L1862 HydrophobicContact CD1-CB 4.04Å; F1837-L1862 HydrophobicContact CD1-CD2 3.87Å; F1837-L1862 HydrophobicContact CD1-CG 4.5Å; F1837-L1862 HydrophobicContact CE1-CD2 4.22Å; L1840-L1862 HydrophobicContact CD2-CD2 3.94Å; Y1841-L1862 HydrophobicContact CD2-CD1 3.94Å; Y1841-L1862 HydrophobicContact CG-CD1 4.28Å; L1858-L1862 HydrophobicContact CD1-CD1 4.33Å; L1858-L1862 HydrophobicContact CD1-CG 4.47Å; L1858-L1862 HydrophobicContact CG-CD1 4.17Å; L1858-L1862 WeakPolarHBondContact O-CG 3.2Å; L1858-L1862 PolarHBondContact O-N 2.75Å; K1859-L1862 PolarHBondContact O-N 3.12Å; L1862-V1865 PolarHBondContact O-N 3.15Å; L1862-A1866 WeakPolarHBondContact O-CB 3.2Å; L1862-A1866 PolarHBondContact O-N 2.97Å |
| 1863 | V | 65.7 | Low | 57.3 | Low | 70 Ų | 70 | 83 Ų | 83 | 42% | 0.424 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 171.4 | 168.9 | 0 | 0 | 0 | 0 | 111.9 | K1859 V1865 A1866 H1867 | K1859-V1863 VanDerWaalsContact O-CB 3.27Å; K1859-V1863 WeakPolarHBondContact O-CB 3.28Å; K1859-V1863 WeakPolarHBondContact O-CG2 3.45Å; K1859-V1863 PolarHBondContact O-N 2.82Å; V1863-V1865 VanDerWaalsContact C-N 3.32Å; V1863-V1865 PolarHBondContact O-N 3.18Å; V1863-A1866 PolarHBondContact O-N 3.05Å; V1863-H1867 WeakPolarHBondContact O-CB 3.08Å; V1863-H1867 PolarHBondContact O-CD2 2.91Å; V1863-H1867 PolarHBondContact O-N 3.23Å |
| 1864 | D | 58.7 | Low | 56.3 | Low | 67 Ų | 67 | 82.4 Ų | 82.4 | 36% | 0.358 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 172.2 | -96 | -26.7 | 0 | 0 | 0 | 111.6 | V1860 K1861 H1868 | V1860-D1864 VanDerWaalsContact O-CB 3.29Å; V1860-D1864 WeakPolarHBondContact O-CB 3.42Å; V1860-D1864 PolarHBondContact O-N 2.72Å; K1861-D1864 IonicContact NZ-OD2 2.64Å; K1861-D1864 PolarHBondContact NZ-OD2 3.41Å; K1861-D1864 PolarHBondContact O-N 2.74Å; D1864-H1868 VanDerWaalsContact O-CB 3.3Å; D1864-H1868 WeakPolarHBondContact O-CB 3.23Å; D1864-H1868 PolarHBondContact O-N 3.26Å; D1864-H1868 PolarHBondContact O-ND1 2.75Å |
| 1865 | V | 55.9 | Low | 55.3 | Low | 73 Ų | 73 | 86.7 Ų | 86.7 | 44% | 0.442 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -73.1 | -40.1 | 178.9 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | F1837 K1861 L1862 V1863 H1868 F1869 | F1837-V1865 HydrophobicContact CE1-CB 4.11Å; F1837-V1865 HydrophobicContact CE1-CG1 3.65Å; F1837-V1865 HydrophobicContact CZ-CG1 3.71Å; K1861-V1865 VanDerWaalsContact O-CG2 3.27Å; K1861-V1865 WeakPolarHBondContact O-CG2 3.33Å; K1861-V1865 PolarHBondContact O-N 2.63Å; L1862-V1865 PolarHBondContact O-N 3.15Å; V1863-V1865 VanDerWaalsContact C-N 3.32Å; V1863-V1865 PolarHBondContact O-N 3.18Å; V1865-H1868 CarbonylContact O-C 3.56Å; V1865-H1868 PolarHBondContact O-N 3.44Å; V1865-F1869 WeakPolarHBondContact O-CB 3.07Å; V1865-F1869 PolarHBondContact O-N 3.34Å |
| 1866 | A | 56.4 | Low | 54.2 | Low | 5 Ų | 5 | 88.1 Ų | 88.1 | 4% | 0.041 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1837 L1862 V1863 H1868 F1869 H1870 | F1837-A1866 HydrophobicContact CD2-CB 4.46Å; L1862-A1866 WeakPolarHBondContact O-CB 3.2Å; L1862-A1866 PolarHBondContact O-N 2.97Å; V1863-A1866 PolarHBondContact O-N 3.05Å; A1866-H1868 VanDerWaalsContact C-N 3.32Å; A1866-H1868 PolarHBondContact O-N 3.25Å; A1866-F1869 CarbonylContact O-C 3.55Å; A1866-F1869 WeakPolarHBondContact O-CA 3.47Å; A1866-F1869 VanDerWaalsContact O-CB 3.3Å; A1866-F1869 WeakPolarHBondContact O-CB 3.36Å; A1866-F1869 PolarHBondContact O-N 3.26Å; A1866-H1870 WeakPolarHBondContact O-CB 3.23Å; A1866-H1870 PolarHBondContact O-N 3.41Å; A1866-H1870 PolarHBondContact O-ND1 3.12Å |
| 1867 | H | 58 | Low | 53 | Low | 126 Ų | 126 | 92 Ų | 92 | 58% | 0.583 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.4 | -31.7 | 170.9 | -89.8 | -79.3 | 0 | 0 | 0 | 112.8 | V1863 F1869 G1871 | V1863-H1867 WeakPolarHBondContact O-CB 3.08Å; V1863-H1867 PolarHBondContact O-CD2 2.91Å; V1863-H1867 PolarHBondContact O-N 3.23Å; H1867-F1869 VanDerWaalsContact C-N 3.3Å; H1867-G1871 WeakPolarHBondContact O-CA 2.98Å; H1867-G1871 PolarHBondContact O-N 2.95Å |
| 1868 | H | 52.8 | Low | 52.1 | Low | 132 Ų | 132 | 86 Ų | 86 | 61% | 0.611 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -71 | -25.5 | 168.3 | -89.1 | 80.5 | 0 | 0 | 0 | 112.5 | D1864 V1865 A1866 S1872 | D1864-H1868 VanDerWaalsContact O-CB 3.3Å; D1864-H1868 WeakPolarHBondContact O-CB 3.23Å; D1864-H1868 PolarHBondContact O-N 3.26Å; D1864-H1868 PolarHBondContact O-ND1 2.75Å; V1865-H1868 CarbonylContact O-C 3.56Å; V1865-H1868 PolarHBondContact O-N 3.44Å; A1866-H1868 VanDerWaalsContact C-N 3.32Å; A1866-H1868 PolarHBondContact O-N 3.25Å; H1868-S1872 WeakPolarHBondContact O-CA 3.03Å; H1868-S1872 WeakPolarHBondContact O-CB 3.31Å; H1868-S1872 PolarHBondContact O-N 3.39Å; H1868-S1872 PolarHBondContact O-OG 3.45Å |
| 1869 | F | 51.5 | Low | 51.6 | Low | 125 Ų | 125 | 86.9 Ų | 86.9 | 55% | 0.548 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -76.7 | -50.2 | 174.5 | -139.5 | -99.4 | 0 | 0 | 0 | 111 | I1833 V1865 A1866 H1867 S1872 | I1833-F1869 HydrophobicContact CD1-CD1 4.2Å; V1865-F1869 WeakPolarHBondContact O-CB 3.07Å; V1865-F1869 PolarHBondContact O-N 3.34Å; A1866-F1869 CarbonylContact O-C 3.55Å; A1866-F1869 WeakPolarHBondContact O-CA 3.47Å; A1866-F1869 VanDerWaalsContact O-CB 3.3Å; A1866-F1869 WeakPolarHBondContact O-CB 3.36Å; A1866-F1869 PolarHBondContact O-N 3.26Å; H1867-F1869 VanDerWaalsContact C-N 3.3Å; F1869-S1872 CarbonylContact O-C 3.41Å; F1869-S1872 PolarHBondContact O-N 3.44Å |
| 1870 | H | 51.2 | Low | 51.1 | Low | 54 Ų | 54 | 84 Ų | 84 | 25% | 0.25 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.4 | -47.9 | 172.9 | -64.2 | 139.7 | 0 | 0 | 0 | 111.9 | D1830 D1834 A1866 Q1873 | D1830-H1870 IonicContact OD1-CD2 2.68Å; D1830-H1870 IonicContact OD1-NE2 2.64Å; D1834-H1870 IonicContact OD1-CE1 3.3Å; A1866-H1870 WeakPolarHBondContact O-CB 3.23Å; A1866-H1870 PolarHBondContact O-N 3.41Å; A1866-H1870 PolarHBondContact O-ND1 3.12Å; H1870-Q1873 VanDerWaalsContact O-CG 3.28Å; H1870-Q1873 WeakPolarHBondContact O-CG 3Å; H1870-Q1873 PolarHBondContact O-N 3.23Å |
| 1871 | G | 44.2 | Very low | 50.9 | Low | 61 Ų | 61 | 83.3 Ų | 83.3 | 63% | 0.629 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -71.8 | -26.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H1867 Q1873 | H1867-G1871 WeakPolarHBondContact O-CA 2.98Å; H1867-G1871 PolarHBondContact O-N 2.95Å; G1871-Q1873 PolarHBondContact O-N 2.83Å |
| 1872 | S | 42.3 | Very low | 50.7 | Low | 73 Ų | 73 | 84.9 Ų | 84.9 | 51% | 0.51 | 44% | 0.443 | S | S | . | . | trans | -73.6 | 43 | 156.5 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | H1868 F1869 V1874 | H1868-S1872 WeakPolarHBondContact O-CA 3.03Å; H1868-S1872 WeakPolarHBondContact O-CB 3.31Å; H1868-S1872 PolarHBondContact O-N 3.39Å; H1868-S1872 PolarHBondContact O-OG 3.45Å; F1869-S1872 CarbonylContact O-C 3.41Å; F1869-S1872 PolarHBondContact O-N 3.44Å; S1872-V1874 VanDerWaalsContact C-N 3.27Å; S1872-V1874 PolarHBondContact O-N 3.04Å | ||
| 1873 | Q | 36.3 | Very low | 50.9 | Low | 151 Ų | 151 | 90.4 Ų | 90.4 | 71% | 0.706 | 47% | 0.466 | S | S | * | . | trans | -45.1 | 104.9 | 146.1 | -76.4 | -156.1 | 5.3 | 0 | 0 | 106.7 | H1870 G1871 R1875 | H1870-Q1873 VanDerWaalsContact O-CG 3.28Å; H1870-Q1873 WeakPolarHBondContact O-CG 3Å; H1870-Q1873 PolarHBondContact O-N 3.23Å; G1871-Q1873 PolarHBondContact O-N 2.83Å; Q1873-R1875 PolarHBondContact O-N 3.44Å | ||
| 1874 | V | 39.1 | Very low | 51.2 | Low | 114 Ų | 114 | 87.9 Ų | 87.9 | 69% | 0.691 | 45% | 0.449 | S | S | * | . | trans | -66.1 | 90.9 | 172.5 | -176.4 | 0 | 0 | 0 | 0 | 104.4 | S1872 Q1876 | S1872-V1874 VanDerWaalsContact C-N 3.27Å; S1872-V1874 PolarHBondContact O-N 3.04Å; V1874-Q1876 HydrophobicContact CB-CG 4.29Å; V1874-Q1876 HydrophobicContact CG1-CG 3.76Å; V1874-Q1876 WeakPolarHBondContact O-CG 2.94Å; V1874-Q1876 PolarHBondContact O-N 2.82Å | ||
| 1875 | R | 36.6 | Very low | 51.6 | Low | 195 Ų | 195 | 86.8 Ų | 86.8 | 74% | 0.736 | 44% | 0.442 | S | S | * | . | trans | -62 | 91.1 | 168.8 | -69.1 | -169.4 | -176.4 | -168.5 | 5.2 | 104.6 | Q1873 R1877 | Q1873-R1875 PolarHBondContact O-N 3.44Å; R1875-R1877 WeakPolarHBondContact O-CG 2.95Å; R1875-R1877 PolarHBondContact O-N 3.08Å | ||
| 1876 | Q | 39.6 | Very low | 52.3 | Low | 97 Ų | 97 | 85.7 Ų | 85.7 | 45% | 0.453 | 44% | 0.44 | S | S | . | . | trans | -70.6 | 81.8 | -169.8 | -77.3 | 176.2 | 18.6 | 0 | 0 | 107.9 | V1874 S1878 F1885 | V1874-Q1876 HydrophobicContact CB-CG 4.29Å; V1874-Q1876 HydrophobicContact CG1-CG 3.76Å; V1874-Q1876 WeakPolarHBondContact O-CG 2.94Å; V1874-Q1876 PolarHBondContact O-N 2.82Å; Q1876-S1878 WeakPolarHBondContact O-CB 3.08Å; Q1876-S1878 PolarHBondContact O-N 2.95Å; Q1876-F1885 HydrophobicContact CB-CE2 4.37Å; Q1876-F1885 HydrophobicContact CB-CZ 3.93Å | ||
| 1877 | R | 41.2 | Very low | 53.2 | Low | 159 Ų | 159 | 85.8 Ų | 85.8 | 60% | 0.6 | 44% | 0.441 | S | S | * | . | trans | -68.5 | 69.4 | 179.4 | -67.9 | 176.1 | 178.8 | 179 | -1.4 | 109.3 | R1708 R1875 | R1708-R1877 VanDerWaalsContact NH1-CB 3.33Å; R1708-R1877 PolarHBondContact NH1-O 2.97Å; R1708-R1877 PolarHBondContact NH2-O 3.42Å; R1875-R1877 WeakPolarHBondContact O-CG 2.95Å; R1875-R1877 PolarHBondContact O-N 3.08Å | ||
| 1878 | S | 44.3 | Very low | 54.1 | Low | 27 Ų | 27 | 80.5 Ų | 80.5 | 19% | 0.189 | 42% | 0.417 | C | S | . | . | trans | -80.4 | -167.2 | -159.9 | -159.8 | 0 | 0 | 0 | 0 | 112.4 | Q1876 L1880 F1885 | Q1876-S1878 WeakPolarHBondContact O-CB 3.08Å; Q1876-S1878 PolarHBondContact O-N 2.95Å; S1878-L1880 PolarHBondContact OG-N 3.13Å; S1878-L1880 VanDerWaalsContact OG-N 3.16Å; S1878-F1885 VanDerWaalsContact CB-CE2 3.46Å; S1878-F1885 WeakPolarHBondContact OG-CZ 3.27Å | ||
| 1879 | I | 50.6 | Low | 55.1 | Low | 34 Ų | 34 | 79.7 Ų | 79.7 | 17% | 0.174 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -114.9 | -18.3 | 152.3 | -75.9 | 90 | 0 | 0 | 0 | 110.1 | K1169 V1783 T1881 | K1169-I1879 HydrophobicContact CD-CD1 4.3Å; V1783-I1879 HydrophobicContact CG1-CG2 4.42Å; I1879-T1881 PolarHBondContact O-N 3.13Å |
| 1880 | L | 58.1 | Low | 56.3 | Low | 18 Ų | 18 | 78.5 Ų | 78.5 | 9% | 0.094 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -60.3 | 128.4 | 167.1 | -58.1 | -174.6 | 0 | 0 | 0 | 109.5 | L1817 F1821 S1878 H1884 F1885 L1888 | L1817-L1880 HydrophobicContact CD1-CD2 3.92Å; F1821-L1880 HydrophobicContact CD1-CD1 4.24Å; F1821-L1880 HydrophobicContact CD1-CD2 4.17Å; F1821-L1880 HydrophobicContact CD1-CG 4.16Å; F1821-L1880 HydrophobicContact CE1-CD2 4.45Å; S1878-L1880 PolarHBondContact OG-N 3.13Å; S1878-L1880 VanDerWaalsContact OG-N 3.16Å; L1880-H1884 HydrophobicContact CB-CB 3.75Å; L1880-H1884 HydrophobicContact CD1-CB 4.49Å; L1880-H1884 HydrophobicContact CD2-CB 4.02Å; L1880-H1884 HydrophobicContact CG-CB 4.28Å; L1880-F1885 HydrophobicContact CB-CD2 4.07Å; L1880-F1885 HydrophobicContact CB-CE2 3.93Å; L1880-F1885 HydrophobicContact CB-CZ 4.22Å; L1880-F1885 HydrophobicContact CD1-CD1 4.13Å; L1880-F1885 HydrophobicContact CD1-CE1 3.86Å; L1880-F1885 HydrophobicContact CD1-CZ 4.14Å; L1880-L1888 HydrophobicContact CD1-CD1 3.79Å |
| 1881 | T | 61.8 | Low | 57.8 | Low | 66 Ų | 66 | 76.3 Ų | 76.3 | 41% | 0.405 | 40% | 0.401 | S | S | . | . | trans | -70.6 | 164.8 | 168.2 | 62.5 | 0 | 0 | 0 | 0 | 109.9 | I1879 K1883 H1884 F1885 | I1879-T1881 PolarHBondContact O-N 3.13Å; T1881-K1883 PolarHBondContact O-N 3.09Å; T1881-K1883 VanDerWaalsContact O-N 3.16Å; T1881-H1884 WeakPolarHBondContact O-CB 3.11Å; T1881-H1884 PolarHBondContact O-N 3.29Å; T1881-H1884 PolarHBondContact OG1-ND1 2.74Å; T1881-F1885 PolarHBondContact O-N 3.37Å | ||
| 1882 | P | 58.5 | Low | 59.2 | Low | 113 Ų | 113 | 76.3 Ų | 76.3 | 73% | 0.734 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -52.5 | -38.5 | 178.4 | -29.3 | 36.9 | 0 | 0 | 0 | 113.8 | H1884 F1885 A1886 | P1882-H1884 VanDerWaalsContact C-N 3.32Å; P1882-H1884 PolarHBondContact O-N 2.71Å; P1882-F1885 PolarHBondContact O-N 3.33Å; P1882-A1886 PolarHBondContact O-N 2.85Å |
| 1883 | K | 66.8 | Low | 60.7 | Low | 138 Ų | 138 | 77.9 Ų | 77.9 | 60% | 0.6 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -56.3 | -41.1 | 176 | -60.9 | -173.3 | 178.8 | -177.2 | 0 | 112.8 | F1810 T1881 A1887 | F1810-K1883 HydrophobicContact CD1-CB 4.3Å; F1810-K1883 HydrophobicContact CD2-CB 4.15Å; F1810-K1883 HydrophobicContact CE1-CB 4.31Å; F1810-K1883 HydrophobicContact CE1-CD 4.4Å; F1810-K1883 HydrophobicContact CE2-CB 4.16Å; F1810-K1883 HydrophobicContact CE2-CD 3.89Å; F1810-K1883 HydrophobicContact CG-CB 4.23Å; F1810-K1883 HydrophobicContact CZ-CB 4.25Å; F1810-K1883 HydrophobicContact CZ-CD 3.72Å; T1881-K1883 PolarHBondContact O-N 3.09Å; T1881-K1883 VanDerWaalsContact O-N 3.16Å; K1883-A1887 PolarHBondContact O-N 2.81Å; K1883-A1887 VanDerWaalsContact O-N 3.16Å |
| 1884 | H | 72.2 | Confident | 62.8 | Low | 18 Ų | 18 | 75.7 Ų | 75.7 | 8% | 0.083 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70.2 | -28.3 | 176.8 | -74.6 | 85.2 | 0 | 0 | 0 | 113.6 | F1810 E1813 L1880 T1881 P1882 L1888 | F1810-H1884 AromaticContact CD1-CE1 3.94Å; E1813-H1884 IonicContact OE2-CE1 2.71Å; E1813-H1884 IonicContact OE2-NE2 2.85Å; L1880-H1884 HydrophobicContact CB-CB 3.75Å; L1880-H1884 HydrophobicContact CD1-CB 4.49Å; L1880-H1884 HydrophobicContact CD2-CB 4.02Å; L1880-H1884 HydrophobicContact CG-CB 4.28Å; T1881-H1884 WeakPolarHBondContact O-CB 3.11Å; T1881-H1884 PolarHBondContact O-N 3.29Å; T1881-H1884 PolarHBondContact OG1-ND1 2.74Å; P1882-H1884 VanDerWaalsContact C-N 3.32Å; P1882-H1884 PolarHBondContact O-N 2.71Å; H1884-L1888 PolarHBondContact O-N 2.89Å |
| 1885 | F | 65.9 | Low | 64.7 | Low | 44 Ų | 44 | 75.3 Ų | 75.3 | 19% | 0.193 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -77.9 | -37.5 | 176.3 | -86.8 | -57.6 | 0 | 0 | 0 | 112.4 | V1823 Q1876 S1878 L1880 T1881 P1882 L1888 K1889 | V1823-F1885 HydrophobicContact CG2-CD1 3.98Å; Q1876-F1885 HydrophobicContact CB-CE2 4.37Å; Q1876-F1885 HydrophobicContact CB-CZ 3.93Å; S1878-F1885 VanDerWaalsContact CB-CE2 3.46Å; S1878-F1885 WeakPolarHBondContact OG-CZ 3.27Å; L1880-F1885 HydrophobicContact CB-CD2 4.07Å; L1880-F1885 HydrophobicContact CB-CE2 3.93Å; L1880-F1885 HydrophobicContact CB-CZ 4.22Å; L1880-F1885 HydrophobicContact CD1-CD1 4.13Å; L1880-F1885 HydrophobicContact CD1-CE1 3.86Å; L1880-F1885 HydrophobicContact CD1-CZ 4.14Å; T1881-F1885 PolarHBondContact O-N 3.37Å; P1882-F1885 PolarHBondContact O-N 3.33Å; F1885-L1888 PolarHBondContact O-N 2.88Å; F1885-K1889 PolarHBondContact O-N 3.32Å; F1885-K1889 VanDerWaalsContact O-N 3.12Å |
| 1886 | A | 71.3 | Confident | 67 | Low | 50 Ų | 50 | 68.9 Ų | 68.9 | 41% | 0.413 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.5 | -49.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | P1882 L1888 K1889 N1890 | P1882-A1886 PolarHBondContact O-N 2.85Å; A1886-L1888 VanDerWaalsContact C-N 3.33Å; A1886-L1888 PolarHBondContact O-N 3.27Å; A1886-K1889 WeakPolarHBondContact O-CB 3.24Å; A1886-K1889 PolarHBondContact O-N 2.85Å; A1886-N1890 PolarHBondContact O-N 3.05Å; A1886-N1890 PolarHBondContact O-OD1 2.83Å |
| 1887 | A | 75.8 | Confident | 69.4 | Low | 6 Ų | 6 | 64.8 Ų | 64.8 | 5% | 0.05 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -50.3 | -46.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1810 E1811 K1883 N1890 L1891 | F1810-A1887 HydrophobicContact CB-CB 3.87Å; E1811-A1887 HydrophobicContact CB-CB 4.42Å; E1811-A1887 HydrophobicContact CG-CB 3.65Å; K1883-A1887 PolarHBondContact O-N 2.81Å; K1883-A1887 VanDerWaalsContact O-N 3.16Å; A1887-N1890 PolarHBondContact O-N 3.25Å; A1887-L1891 PolarHBondContact O-N 3.47Å |
| 1888 | L | 77.2 | Confident | 71.4 | Confident | 15 Ų | 15 | 58.8 Ų | 58.8 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.1 | -28.7 | 178.8 | -75 | 170.6 | 0 | 0 | 0 | 114 | A1814 F1821 V1823 L1880 H1884 F1885 A1886 Q1892 | A1814-L1888 HydrophobicContact CB-CD1 3.99Å; A1814-L1888 HydrophobicContact CB-CD2 3.83Å; A1814-L1888 HydrophobicContact CB-CG 3.72Å; F1821-L1888 VanDerWaalsContact O-CD1 3.3Å; F1821-L1888 WeakPolarHBondContact O-CD1 3.2Å; V1823-L1888 HydrophobicContact CB-CB 4.38Å; V1823-L1888 HydrophobicContact CG2-CB 3.56Å; V1823-L1888 HydrophobicContact CG2-CD1 4.35Å; L1880-L1888 HydrophobicContact CD1-CD1 3.79Å; H1884-L1888 PolarHBondContact O-N 2.89Å; F1885-L1888 PolarHBondContact O-N 2.88Å; A1886-L1888 VanDerWaalsContact C-N 3.33Å; A1886-L1888 PolarHBondContact O-N 3.27Å; L1888-Q1892 PolarHBondContact O-N 2.93Å |
| 1889 | K | 72.3 | Confident | 73.4 | Confident | 116 Ų | 116 | 60 Ų | 60 | 50% | 0.504 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.4 | -46.8 | 170.8 | -91 | -167.5 | 170.6 | -167.9 | 0 | 111.1 | V1823 T1826 F1885 A1886 L1891 Q1892 C1893 | V1823-K1889 HydrophobicContact CG1-CG 4.32Å; T1826-K1889 HydrophobicContact CG2-CG 4.49Å; F1885-K1889 PolarHBondContact O-N 3.32Å; F1885-K1889 VanDerWaalsContact O-N 3.12Å; A1886-K1889 WeakPolarHBondContact O-CB 3.24Å; A1886-K1889 PolarHBondContact O-N 2.85Å; K1889-L1891 VanDerWaalsContact C-N 3.26Å; K1889-L1891 PolarHBondContact O-N 3.47Å; K1889-Q1892 WeakPolarHBondContact O-CA 3.04Å; K1889-Q1892 WeakPolarHBondContact O-CB 2.99Å; K1889-Q1892 PolarHBondContact O-N 3.4Å; K1889-C1893 PolarHBondContact O-N 2.9Å |
| 1890 | N | 77.9 | Confident | 75.2 | Confident | 99 Ų | 99 | 59.5 Ų | 59.5 | 53% | 0.529 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -55.9 | -42.1 | -178.4 | -67.4 | 7.3 | 0 | 0 | 0 | 111.7 | A1886 A1887 Q1892 C1893 | A1886-N1890 PolarHBondContact O-N 3.05Å; A1886-N1890 PolarHBondContact O-OD1 2.83Å; A1887-N1890 PolarHBondContact O-N 3.25Å; N1890-Q1892 VanDerWaalsContact C-N 3.33Å; N1890-Q1892 PolarHBondContact O-N 2.72Å; N1890-C1893 PolarHBondContact O-N 3.19Å |
| 1891 | L | 81.2 | Confident | 76.5 | Confident | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.3 | -27.7 | 175.3 | -67.6 | 171.2 | 0 | 0 | 0 | 114.2 | L1807 E1811 L1815 A1887 K1889 | L1807-L1891 HydrophobicContact CD2-CD2 3.63Å; E1811-L1891 HydrophobicContact CB-CD1 4.02Å; E1811-L1891 HydrophobicContact CG-CD1 3.95Å; E1811-L1891 HydrophobicContact CG-CD2 4.42Å; E1811-L1891 HydrophobicContact CG-CG 4.03Å; E1811-L1891 WeakPolarHBondContact OE1-CD2 3.18Å; L1815-L1891 HydrophobicContact CD1-CD1 3.69Å; L1815-L1891 HydrophobicContact CD2-CD1 3.98Å; L1815-L1891 HydrophobicContact CG-CD1 3.74Å; A1887-L1891 PolarHBondContact O-N 3.47Å; K1889-L1891 VanDerWaalsContact C-N 3.26Å; K1889-L1891 PolarHBondContact O-N 3.47Å |
| 1892 | Q | 73.5 | Confident | 77.5 | Confident | 61 Ų | 61 | 61.3 Ų | 61.3 | 29% | 0.285 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -77.5 | -25.3 | 179.6 | -177.5 | 160.8 | 46.2 | 0 | 0 | 112.6 | L1888 K1889 N1890 R1894 | L1888-Q1892 PolarHBondContact O-N 2.93Å; K1889-Q1892 WeakPolarHBondContact O-CA 3.04Å; K1889-Q1892 WeakPolarHBondContact O-CB 2.99Å; K1889-Q1892 PolarHBondContact O-N 3.4Å; N1890-Q1892 VanDerWaalsContact C-N 3.33Å; N1890-Q1892 PolarHBondContact O-N 2.72Å; Q1892-R1894 PolarHBondContact O-N 3.32Å |
| 1893 | C | 75 | Confident | 78.6 | Confident | 107 Ų | 107 | 56.9 Ų | 56.9 | 72% | 0.723 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | 0.3 | 175.9 | -63 | 0 | 0 | 0 | 0 | 113.9 | K1889 N1890 | K1889-C1893 PolarHBondContact O-N 2.9Å; N1890-C1893 PolarHBondContact O-N 3.19Å |
| 1894 | R | 79.2 | Confident | 78.8 | Confident | 105 Ų | 105 | 54 Ų | 54 | 40% | 0.396 | 28% | 0.283 | S | S | . | . | trans | -94 | 118.4 | -177.5 | -68 | -162.4 | 75.7 | 113.5 | 2.6 | 112.5 | Q1892 D1896 I1897 | Q1892-R1894 PolarHBondContact O-N 3.32Å; R1894-D1896 WeakPolarHBondContact CB-OD1 3.04Å; R1894-D1896 IonicContact CZ-OD1 2.69Å; R1894-D1896 IonicContact CZ-OD2 2.63Å; R1894-D1896 IonicContact NE-OD1 3.81Å; R1894-D1896 PolarHBondContact NE-OD1 2.67Å; R1894-D1896 IonicContact NE-OD2 2.73Å; R1894-D1896 VanDerWaalsContact NH2-CG 3.35Å; R1894-D1896 IonicContact NH2-OD1 2.68Å; R1894-D1896 PolarHBondContact NH2-OD1 2.83Å; R1894-D1896 IonicContact NH2-OD2 2.63Å; R1894-D1896 PolarHBondContact NH2-OD2 2.86Å; R1894-I1897 HydrophobicContact CB-CD1 4.01Å; R1894-I1897 HydrophobicContact CB-CG1 3.79Å | ||
| 1895 | S | 78.9 | Confident | 78.6 | Confident | 105 Ų | 105 | 53.9 Ų | 53.9 | 73% | 0.734 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -93.6 | -14.3 | 175.7 | 53.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1896 | D | 86.6 | Confident | 78.6 | Confident | 60 Ų | 60 | 52.7 Ų | 52.7 | 32% | 0.321 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -77 | -21.1 | -177.5 | 66.9 | -50.2 | 0 | 0 | 0 | 113.6 | R1894 K1913 | R1894-D1896 WeakPolarHBondContact CB-OD1 3.04Å; R1894-D1896 IonicContact CZ-OD1 2.69Å; R1894-D1896 IonicContact CZ-OD2 2.63Å; R1894-D1896 IonicContact NE-OD1 3.81Å; R1894-D1896 PolarHBondContact NE-OD1 2.67Å; R1894-D1896 IonicContact NE-OD2 2.73Å; R1894-D1896 VanDerWaalsContact NH2-CG 3.35Å; R1894-D1896 IonicContact NH2-OD1 2.68Å; R1894-D1896 PolarHBondContact NH2-OD1 2.83Å; R1894-D1896 IonicContact NH2-OD2 2.63Å; R1894-D1896 PolarHBondContact NH2-OD2 2.86Å; D1896-K1913 PolarHBondContact O-N 3.47Å |
| 1897 | I | 88.3 | Confident | 78.8 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.062 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 148.4 | -178.5 | 56 | 171 | 0 | 0 | 0 | 112.5 | V1805 R1894 I1899 V1910 I1911 | V1805-I1897 HydrophobicContact CG2-CG2 3.66Å; R1894-I1897 HydrophobicContact CB-CD1 4.01Å; R1894-I1897 HydrophobicContact CB-CG1 3.79Å; I1897-I1899 HydrophobicContact CD1-CD1 4.22Å; I1897-I1899 HydrophobicContact CD1-CG1 4.28Å; I1897-V1910 HydrophobicContact CB-CG1 3.82Å; I1897-V1910 HydrophobicContact CD1-CG1 3.73Å; I1897-V1910 HydrophobicContact CG1-CG1 4.32Å; I1897-V1910 HydrophobicContact CG2-CG1 3.95Å; I1897-I1911 CarbonylContact C-O 3.54Å; I1897-I1911 WeakPolarHBondContact CA-O 3.43Å |
| 1898 | V | 83.5 | Confident | 79.2 | Confident | 33 Ų | 33 | 50.5 Ų | 50.5 | 20% | 0.2 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 126.6 | 169 | -165.9 | 0 | 0 | 0 | 0 | 108.6 | L1900 I1911 K1913 Y1916 | V1898-L1900 HydrophobicContact CB-CG 4.33Å; V1898-L1900 HydrophobicContact CG1-CD1 4.28Å; V1898-L1900 HydrophobicContact CG1-CD2 3.62Å; V1898-L1900 HydrophobicContact CG1-CG 3.73Å; V1898-I1911 HydrophobicContact CB-CG2 4.2Å; V1898-I1911 PolarHBondContact N-O 2.93Å; V1898-I1911 PolarHBondContact O-N 3.35Å; V1898-I1911 VanDerWaalsContact O-N 3.09Å; V1898-K1913 HydrophobicContact CG2-CB 3.81Å; V1898-K1913 HydrophobicContact CG2-CG 3.75Å; V1898-Y1916 HydrophobicContact CG2-CD1 4.42Å |
| 1899 | I | 87.5 | Confident | 79.7 | Confident | 53 Ų | 53 | 49.8 Ų | 49.8 | 27% | 0.272 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 93.7 | -175.5 | -53.3 | -175.4 | 0 | 0 | 0 | 108.7 | F1819 I1897 V1908 V1909 V1910 | F1819-I1899 HydrophobicContact CE1-CB 4.46Å; F1819-I1899 HydrophobicContact CE1-CG2 3.71Å; F1819-I1899 WeakPolarHBondContact CE1-O 2.9Å; F1819-I1899 HydrophobicContact CZ-CG2 3.86Å; F1819-I1899 WeakPolarHBondContact CZ-O 3.35Å; I1897-I1899 HydrophobicContact CD1-CD1 4.22Å; I1897-I1899 HydrophobicContact CD1-CG1 4.28Å; I1899-V1908 HydrophobicContact CG2-CG1 3.33Å; I1899-V1909 CarbonylContact C-O 3.46Å; I1899-V1909 WeakPolarHBondContact CA-O 3.09Å; I1899-V1910 HydrophobicContact CG1-CG1 4.49Å |
| 1900 | L | 86.5 | Confident | 80.5 | Confident | 23 Ų | 23 | 44.3 Ų | 44.3 | 12% | 0.12 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 169.7 | -169.8 | -64.8 | 177.9 | 0 | 0 | 0 | 113.8 | F1819 V1898 V1909 I1911 Y1916 P1982 | F1819-L1900 WeakPolarHBondContact CZ-O 3.1Å; V1898-L1900 HydrophobicContact CB-CG 4.33Å; V1898-L1900 HydrophobicContact CG1-CD1 4.28Å; V1898-L1900 HydrophobicContact CG1-CD2 3.62Å; V1898-L1900 HydrophobicContact CG1-CG 3.73Å; L1900-V1909 PolarHBondContact N-O 3.49Å; L1900-V1909 PolarHBondContact O-N 2.93Å; L1900-I1911 HydrophobicContact CD1-CG2 4Å; L1900-Y1916 HydrophobicContact CD1-CD2 3.63Å; L1900-Y1916 HydrophobicContact CD1-CE2 3.75Å; L1900-Y1916 HydrophobicContact CD1-CG 4.47Å; L1900-P1982 HydrophobicContact CD1-CG 3.98Å |
| 1901 | R | 87 | Confident | 81.1 | Confident | 111 Ų | 111 | 39.6 Ų | 39.6 | 42% | 0.419 | 21% | 0.213 | S | C | . | . | trans | -100.6 | 144.3 | 166.4 | -64.4 | 175.7 | -174.1 | -179.8 | 2.7 | 109.3 | F1819 L1981 P1982 | F1819-R1901 HydrophobicContact CD2-CG 4Å; F1819-R1901 HydrophobicContact CE2-CG 3.51Å; F1819-R1901 HydrophobicContact CZ-CG 4.1Å; R1901-L1981 WeakPolarHBondContact O-CD2 3.32Å; R1901-P1982 WeakPolarHBondContact O-CD 3.39Å | ||
| 1902 | P | 83.2 | Confident | 81.6 | Confident | 11 Ų | 11 | 41.3 Ų | 41.3 | 7% | 0.071 | 22% | 0.222 | C | C | . | . | trans | -74.9 | 155.7 | 175.9 | 31.8 | -34.4 | 0 | 0 | 0 | 112.3 | K1904 V1909 I1984 | P1902-K1904 PolarHBondContact O-N 2.66Å; P1902-V1909 HydrophobicContact CB-CG2 3.93Å; P1902-V1909 HydrophobicContact CG-CG2 4.33Å; P1902-I1984 HydrophobicContact CB-CD1 3.7Å; P1902-I1984 HydrophobicContact CB-CG1 3.92Å; P1902-I1984 HydrophobicContact CB-CG2 4.23Å; P1902-I1984 HydrophobicContact CG-CD1 4.27Å | ||
| 1903 | D | 81.1 | Confident | 82.4 | Confident | 20 Ų | 20 | 42.1 Ų | 42.1 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -59.1 | -40.8 | 177.6 | 179.6 | 77.7 | 0 | 0 | 0 | 113.8 | L1981 P1982 K1983 H1985 R1992 | D1903-L1981 HydrophobicContact CB-CB 4.2Å; D1903-P1982 PolarHBondContact N-O 2.72Å; D1903-K1983 HydrophobicContact CB-CB 4.28Å; D1903-K1983 HydrophobicContact CB-CG 3.74Å; D1903-H1985 IonicContact OD2-CE1 2.72Å; D1903-R1992 WeakPolarHBondContact OD1-CB 3.4Å; D1903-R1992 IonicContact OD1-CZ 2.85Å; D1903-R1992 IonicContact OD1-NE 2.72Å; D1903-R1992 PolarHBondContact OD1-NE 2.83Å; D1903-R1992 IonicContact OD1-NH2 2.67Å; D1903-R1992 PolarHBondContact OD1-NH2 2.66Å; D1903-R1992 IonicContact OD2-CZ 3.32Å; D1903-R1992 IonicContact OD2-NE 3.88Å; D1903-R1992 IonicContact OD2-NH2 3.71Å; D1903-R1992 PolarHBondContact OD2-NH2 2.82Å |
| 1904 | K | 70.8 | Confident | 83.1 | Confident | 77 Ų | 77 | 41.8 Ų | 41.8 | 34% | 0.335 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -123.3 | 126.9 | 172.9 | -68.9 | -165.3 | 179.2 | -166.1 | 0 | 109.3 | P1902 | P1902-K1904 PolarHBondContact O-N 2.66Š|
| 1905 | G | 68.1 | Low | 83.5 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 17% | 0.165 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 89.2 | -140.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1174 | V1174-G1905 WeakPolarHBondContact CB-O 3.16Å; V1174-G1905 WeakPolarHBondContact CG1-O 3.41Å |
| 1906 | S | 65.3 | Low | 84.3 | Confident | 18 Ų | 18 | 35.8 Ų | 35.8 | 13% | 0.126 | 19% | 0.187 | C | C | . | . | S | Bend | -147.9 | 53.2 | -126.9 | 68.1 | 0 | 0 | 0 | 0 | 115.5 | V1174 S1175 L1178 | V1174-S1906 WeakPolarHBondContact O-CB 3.18Å; S1175-S1906 VanDerWaalsContact CA-CA 3.45Å; L1178-S1906 WeakPolarHBondContact CB-OG 3.23Å | |
| 1907 | G | 76.2 | Confident | 84.4 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 7% | 0.072 | 19% | 0.187 | C | C | . | . | trans | -134.7 | -169 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1175 Y1798 | S1175-G1907 PolarHBondContact OG-O 2.9Å; S1175-G1907 VanDerWaalsContact OG-O 3.12Å; Y1798-G1907 CarbonylContact O-C 3.42Å; Y1798-G1907 WeakPolarHBondContact O-CA 2.88Å | ||
| 1908 | V | 84 | Confident | 84.5 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 133.9 | 148.6 | -179.5 | 0 | 0 | 0 | 0 | 106.5 | Y1798 S1800 L1815 F1819 I1899 V1910 | Y1798-V1908 PolarHBondContact O-N 3.3Å; S1800-V1908 PolarHBondContact N-O 3.44Å; L1815-V1908 HydrophobicContact CD2-CG1 4.37Å; L1815-V1908 WeakPolarHBondContact O-CG2 3.18Å; F1819-V1908 HydrophobicContact CD2-CG2 4.15Å; F1819-V1908 HydrophobicContact CE2-CB 4.29Å; F1819-V1908 HydrophobicContact CE2-CG1 4.23Å; F1819-V1908 HydrophobicContact CE2-CG2 3.84Å; F1819-V1908 HydrophobicContact CZ-CG1 3.98Å; F1819-V1908 HydrophobicContact CZ-CG2 4.33Å; I1899-V1908 HydrophobicContact CG2-CG1 3.33Å; V1908-V1910 HydrophobicContact CG1-CG2 4.16Å |
| 1909 | V | 86.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 128.2 | 166.7 | 177.3 | 0 | 0 | 0 | 0 | 107.2 | S1800 L1802 I1899 L1900 P1902 P1982 I1984 | S1800-V1909 WeakPolarHBondContact O-CA 3.08Å; L1802-V1909 HydrophobicContact CD1-CG1 3.67Å; L1802-V1909 HydrophobicContact CG-CG1 4.14Å; I1899-V1909 CarbonylContact C-O 3.46Å; I1899-V1909 WeakPolarHBondContact CA-O 3.09Å; L1900-V1909 PolarHBondContact N-O 3.49Å; L1900-V1909 PolarHBondContact O-N 2.93Å; P1902-V1909 HydrophobicContact CB-CG2 3.93Å; P1902-V1909 HydrophobicContact CG-CG2 4.33Å; V1909-P1982 HydrophobicContact CG1-CG 4.34Å; V1909-I1984 HydrophobicContact CG2-CG2 4.16Å |
| 1910 | V | 89.3 | Confident | 85.3 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126 | 170.8 | -171.6 | 0 | 0 | 0 | 0 | 106.8 | S1800 L1802 S1803 I1897 I1899 V1908 | S1800-V1910 PolarHBondContact O-N 3.13Å; S1800-V1910 VanDerWaalsContact O-N 3.16Å; L1802-V1910 CarbonylContact C-O 3.33Å; L1802-V1910 VanDerWaalsContact CA-O 3.29Å; L1802-V1910 WeakPolarHBondContact CA-O 3.07Å; L1802-V1910 VanDerWaalsContact CB-O 3.32Å; L1802-V1910 WeakPolarHBondContact CB-O 3.37Å; L1802-V1910 PolarHBondContact N-O 3.24Å; S1803-V1910 PolarHBondContact N-O 3.43Å; I1897-V1910 HydrophobicContact CB-CG1 3.82Å; I1897-V1910 HydrophobicContact CD1-CG1 3.73Å; I1897-V1910 HydrophobicContact CG1-CG1 4.32Å; I1897-V1910 HydrophobicContact CG2-CG1 3.95Å; I1899-V1910 HydrophobicContact CG1-CG1 4.49Å; V1908-V1910 HydrophobicContact CG1-CG2 4.16Å |
| 1911 | I | 91.5 | Very high | 85.5 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 149.3 | -177.1 | -169.2 | 170 | 0 | 0 | 0 | 109.9 | L1802 I1897 V1898 L1900 E1915 | L1802-I1911 HydrophobicContact CB-CB 4.5Å; L1802-I1911 HydrophobicContact CB-CG1 4.49Å; I1897-I1911 CarbonylContact C-O 3.54Å; I1897-I1911 WeakPolarHBondContact CA-O 3.43Å; V1898-I1911 HydrophobicContact CB-CG2 4.2Å; V1898-I1911 PolarHBondContact N-O 2.93Å; V1898-I1911 PolarHBondContact O-N 3.35Å; V1898-I1911 VanDerWaalsContact O-N 3.09Å; L1900-I1911 HydrophobicContact CD1-CG2 4Å; I1911-E1915 HydrophobicContact CD1-CB 4.49Å; I1911-E1915 HydrophobicContact CD1-CG 4.48Å; I1911-E1915 HydrophobicContact CG1-CB 4.43Å |
| 1912 | N | 91.8 | Very high | 85.5 | Confident | 43 Ų | 43 | 39 Ų | 39 | 23% | 0.23 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 137.4 | 175.5 | -69.1 | 7.2 | 0 | 0 | 0 | 110.1 | S1803 T1804 C1914 E1915 Y1916 | S1803-N1912 WeakPolarHBondContact CA-OD1 3.32Å; S1803-N1912 WeakPolarHBondContact CB-OD1 3.46Å; T1804-N1912 PolarHBondContact N-OD1 2.9Å; T1804-N1912 PolarHBondContact OG1-ND2 3.43Å; N1912-C1914 VanDerWaalsContact C-N 3.3Å; N1912-C1914 PolarHBondContact O-N 3.21Å; N1912-E1915 PolarHBondContact O-N 3.38Å; N1912-Y1916 PolarHBondContact O-N 2.91Å |
| 1913 | K | 90.2 | Very high | 85.9 | Confident | 78 Ų | 78 | 40.5 Ų | 40.5 | 34% | 0.339 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.3 | -38.6 | -173.9 | -170.8 | 179.8 | 179.6 | -163.3 | 0 | 113 | D1896 V1898 Y1916 K1917 E2100 | D1896-K1913 PolarHBondContact O-N 3.47Å; V1898-K1913 HydrophobicContact CG2-CB 3.81Å; V1898-K1913 HydrophobicContact CG2-CG 3.75Å; K1913-Y1916 PolarHBondContact O-N 3.25Å; K1913-K1917 PolarHBondContact O-N 2.87Å; K1913-E2100 VanDerWaalsContact CE-CD 3.43Å; K1913-E2100 WeakPolarHBondContact CE-OE1 2.93Å; K1913-E2100 WeakPolarHBondContact CE-OE2 3.48Å; K1913-E2100 IonicContact NZ-OE1 3.38Å; K1913-E2100 PolarHBondContact NZ-OE1 2.94Å; K1913-E2100 VanDerWaalsContact NZ-OE1 3.14Å; K1913-E2100 IonicContact NZ-OE2 2.95Å; K1913-E2100 PolarHBondContact NZ-OE2 3.49Å |
| 1914 | C | 88.7 | Confident | 86.3 | Confident | 101 Ų | 101 | 40 Ų | 40 | 68% | 0.682 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -61.4 | -47.9 | 179 | -52.1 | 0 | 0 | 0 | 0 | 112.5 | N1912 Y1916 K1917 D1918 | N1912-C1914 VanDerWaalsContact C-N 3.3Å; N1912-C1914 PolarHBondContact O-N 3.21Å; C1914-Y1916 VanDerWaalsContact C-N 3.25Å; C1914-Y1916 PolarHBondContact O-N 3.01Å; C1914-K1917 PolarHBondContact O-N 2.82Å; C1914-K1917 VanDerWaalsContact O-N 3.12Å; C1914-D1918 PolarHBondContact O-N 3Å |
| 1915 | E | 89.1 | Confident | 87.1 | Confident | 70 Ų | 70 | 39 Ų | 39 | 33% | 0.327 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.5 | -36.7 | 178.8 | -166 | -159.1 | 148.4 | 0 | 0 | 111.5 | I1911 N1912 K1919 | I1911-E1915 HydrophobicContact CD1-CB 4.49Å; I1911-E1915 HydrophobicContact CD1-CG 4.48Å; I1911-E1915 HydrophobicContact CG1-CB 4.43Å; N1912-E1915 PolarHBondContact O-N 3.38Å; E1915-K1919 HydrophobicContact CG-CD 4.31Å; E1915-K1919 WeakPolarHBondContact O-CB 2.85Å; E1915-K1919 VanDerWaalsContact O-CG 3.3Å; E1915-K1919 WeakPolarHBondContact O-CG 3.22Å; E1915-K1919 PolarHBondContact O-N 3.5Å; E1915-K1919 WeakPolarHBondContact OE1-CE 3.44Å; E1915-K1919 IonicContact OE1-NZ 3.69Å; E1915-K1919 PolarHBondContact OE1-NZ 3.04Å |
| 1916 | Y | 93.8 | Very high | 88 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 6% | 0.055 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.1 | -43.1 | 175.1 | 170.2 | -98.6 | 0 | 0 | 0 | 112.2 | V1898 L1900 N1912 K1913 C1914 M1920 Y1979 G1980 L1991 F2099 | V1898-Y1916 HydrophobicContact CG2-CD1 4.42Å; L1900-Y1916 HydrophobicContact CD1-CD2 3.63Å; L1900-Y1916 HydrophobicContact CD1-CE2 3.75Å; L1900-Y1916 HydrophobicContact CD1-CG 4.47Å; N1912-Y1916 PolarHBondContact O-N 2.91Å; K1913-Y1916 PolarHBondContact O-N 3.25Å; C1914-Y1916 VanDerWaalsContact C-N 3.25Å; C1914-Y1916 PolarHBondContact O-N 3.01Å; Y1916-M1920 HydrophobicContact CE2-CG 4.27Å; Y1916-M1920 PolarHBondContact O-N 3.12Å; Y1916-Y1979 VanDerWaalsContact OH-CA 3.32Å; Y1916-Y1979 WeakPolarHBondContact OH-CA 3.31Å; Y1916-Y1979 WeakPolarHBondContact OH-CB 3.25Å; Y1916-G1980 PolarHBondContact OH-N 2.69Å; Y1916-L1991 HydrophobicContact CD2-CD1 3.88Å; Y1916-L1991 HydrophobicContact CE2-CD1 4.05Å; Y1916-F2099 HydrophobicContact CE1-CE2 4.04Å; Y1916-F2099 HydrophobicContact CE1-CZ 4.27Å |
| 1917 | K | 90.6 | Very high | 88.9 | Confident | 71 Ų | 71 | 48.1 Ų | 48.1 | 31% | 0.309 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.5 | -49.1 | 179.9 | -170.1 | 166.9 | -176 | 166.4 | 0 | 112 | K1913 C1914 K1919 M1920 L1921 F2099 E2100 | K1913-K1917 PolarHBondContact O-N 2.87Å; C1914-K1917 PolarHBondContact O-N 2.82Å; C1914-K1917 VanDerWaalsContact O-N 3.12Å; K1917-K1919 VanDerWaalsContact C-N 3.31Å; K1917-K1919 PolarHBondContact O-N 3.04Å; K1917-M1920 PolarHBondContact O-N 3.26Å; K1917-M1920 VanDerWaalsContact O-N 3.08Å; K1917-L1921 HydrophobicContact CG-CD1 4.11Å; K1917-L1921 HydrophobicContact CG-CG 4.46Å; K1917-L1921 WeakPolarHBondContact O-CG 3.49Å; K1917-L1921 PolarHBondContact O-N 3.15Å; K1917-F2099 HydrophobicContact CG-CE1 4.1Å; K1917-F2099 HydrophobicContact CG-CZ 4.3Å; K1917-E2100 HydrophobicContact CD-CB 4.37Å; K1917-E2100 HydrophobicContact CD-CG 4.04Å; K1917-E2100 HydrophobicContact CG-CG 4.3Å; K1917-E2100 IonicContact NZ-OE2 2.75Å |
| 1918 | D | 89.5 | Confident | 89.2 | Confident | 75 Ų | 75 | 51.2 Ų | 51.2 | 40% | 0.401 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55 | -45.1 | 177.1 | -86.2 | -15.7 | 0 | 0 | 0 | 112.2 | R14 C1914 M1920 L1921 S1922 | R14-D1918 IonicContact CZ-OD1 3.97Å; R14-D1918 IonicContact NH2-OD1 2.76Å; R14-D1918 PolarHBondContact NH2-OD1 3.35Å; R14-D1918 IonicContact NH2-OD2 2.85Å; R14-D1918 PolarHBondContact NH2-OD2 3.46Å; C1914-D1918 PolarHBondContact O-N 3Å; D1918-M1920 VanDerWaalsContact C-N 3.25Å; D1918-M1920 PolarHBondContact O-N 2.82Å; D1918-L1921 PolarHBondContact O-N 3.27Å; D1918-S1922 WeakPolarHBondContact O-CB 3.18Å; D1918-S1922 PolarHBondContact O-N 3.4Å |
| 1919 | K | 92.6 | Very high | 89.4 | Confident | 45 Ų | 45 | 52 Ų | 52 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.2 | -22.6 | 179.6 | -79.3 | 177.2 | 166.3 | -177.9 | 0 | 114.3 | E1915 K1917 I1923 N1988 I1989 L1991 | E1915-K1919 HydrophobicContact CG-CD 4.31Å; E1915-K1919 WeakPolarHBondContact O-CB 2.85Å; E1915-K1919 VanDerWaalsContact O-CG 3.3Å; E1915-K1919 WeakPolarHBondContact O-CG 3.22Å; E1915-K1919 PolarHBondContact O-N 3.5Å; E1915-K1919 WeakPolarHBondContact OE1-CE 3.44Å; E1915-K1919 IonicContact OE1-NZ 3.69Å; E1915-K1919 PolarHBondContact OE1-NZ 3.04Å; K1917-K1919 VanDerWaalsContact C-N 3.31Å; K1917-K1919 PolarHBondContact O-N 3.04Å; K1919-I1923 WeakPolarHBondContact O-CD1 3.48Å; K1919-I1923 WeakPolarHBondContact O-CG1 2.94Å; K1919-N1988 PolarHBondContact NZ-O 3.23Å; K1919-I1989 PolarHBondContact NZ-O 3.17Å; K1919-L1991 HydrophobicContact CB-CD1 3.5Å; K1919-L1991 HydrophobicContact CB-CG 3.92Å; K1919-L1991 HydrophobicContact CD-CG 4.36Å |
| 1920 | M | 94.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -85.3 | -42.8 | 174.3 | -73.6 | -58.5 | -59.7 | 0 | 0 | 111.6 | Y1916 K1917 D1918 S1922 I1923 L1924 L1978 G1980 L1991 F2099 | Y1916-M1920 HydrophobicContact CE2-CG 4.27Å; Y1916-M1920 PolarHBondContact O-N 3.12Å; K1917-M1920 PolarHBondContact O-N 3.26Å; K1917-M1920 VanDerWaalsContact O-N 3.08Å; D1918-M1920 VanDerWaalsContact C-N 3.25Å; D1918-M1920 PolarHBondContact O-N 2.82Å; M1920-S1922 VanDerWaalsContact C-N 3.28Å; M1920-S1922 PolarHBondContact O-N 3.01Å; M1920-I1923 WeakPolarHBondContact O-CB 3.4Å; M1920-I1923 PolarHBondContact O-N 3.04Å; M1920-I1923 HydrophobicContact SD-CD1 4.47Å; M1920-L1924 PolarHBondContact O-N 2.88Å; M1920-L1924 VanDerWaalsContact O-N 3.17Å; M1920-L1978 HydrophobicContact CE-CD2 3.41Å; M1920-L1978 VanDerWaalsContact CE-CD2 3.41Å; M1920-L1978 HydrophobicContact CE-CG 3.63Å; M1920-G1980 WeakPolarHBondContact SD-CA 3.4Å; M1920-G1980 PolarHBondContact SD-N 2.77Å; M1920-L1991 HydrophobicContact CG-CD1 3.58Å; M1920-L1991 HydrophobicContact SD-CB 4.05Å; M1920-L1991 HydrophobicContact SD-CD1 3.51Å; M1920-L1991 VanDerWaalsContact SD-CD1 3.51Å; M1920-L1991 HydrophobicContact SD-CG 4.41Å; M1920-F2099 HydrophobicContact CB-CD1 4.23Å; M1920-F2099 HydrophobicContact CB-CD2 4.46Å; M1920-F2099 HydrophobicContact CB-CE1 3.49Å; M1920-F2099 VanDerWaalsContact CB-CE1 3.49Å; M1920-F2099 HydrophobicContact CB-CE2 3.78Å; M1920-F2099 HydrophobicContact CB-CZ 3.25Å; M1920-F2099 HydrophobicContact CE-CD2 4.49Å; M1920-F2099 HydrophobicContact CE-CE2 4.46Å; M1920-F2099 HydrophobicContact CG-CE1 4.32Å; M1920-F2099 HydrophobicContact CG-CE2 3.71Å; M1920-F2099 HydrophobicContact CG-CZ 3.58Å |
| 1921 | L | 90.6 | Very high | 89.6 | Confident | 69 Ų | 69 | 55.9 Ų | 55.9 | 36% | 0.361 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.4 | -38.7 | 175.9 | -65.8 | 173.7 | 0 | 0 | 0 | 111.5 | K1917 D1918 I1923 L1924 G1925 F2099 F2104 | K1917-L1921 HydrophobicContact CG-CD1 4.11Å; K1917-L1921 HydrophobicContact CG-CG 4.46Å; K1917-L1921 WeakPolarHBondContact O-CG 3.49Å; K1917-L1921 PolarHBondContact O-N 3.15Å; D1918-L1921 PolarHBondContact O-N 3.27Å; L1921-I1923 PolarHBondContact O-N 3.23Å; L1921-I1923 VanDerWaalsContact O-N 3.14Å; L1921-L1924 PolarHBondContact O-N 2.93Å; L1921-G1925 PolarHBondContact O-N 2.85Å; L1921-F2099 HydrophobicContact CD2-CD1 4.23Å; L1921-F2099 HydrophobicContact CD2-CE1 4.21Å; L1921-F2099 HydrophobicContact CG-CE1 4.31Å; L1921-F2104 HydrophobicContact CD2-CZ 4.48Å |
| 1922 | S | 88.9 | Confident | 89.3 | Confident | 100 Ų | 100 | 62.1 Ų | 62.1 | 70% | 0.699 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62 | -16.7 | 173 | 178.2 | 0 | 0 | 0 | 0 | 114.9 | D1918 M1920 | D1918-S1922 WeakPolarHBondContact O-CB 3.18Å; D1918-S1922 PolarHBondContact O-N 3.4Å; M1920-S1922 VanDerWaalsContact C-N 3.28Å; M1920-S1922 PolarHBondContact O-N 3.01Å |
| 1923 | I | 90.2 | Very high | 88.6 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -92 | -32.2 | 173.7 | -63.9 | 166.9 | 0 | 0 | 0 | 110.3 | K1919 M1920 L1921 G1925 F1930 L1991 P1993 | K1919-I1923 WeakPolarHBondContact O-CD1 3.48Å; K1919-I1923 WeakPolarHBondContact O-CG1 2.94Å; M1920-I1923 WeakPolarHBondContact O-CB 3.4Å; M1920-I1923 PolarHBondContact O-N 3.04Å; M1920-I1923 HydrophobicContact SD-CD1 4.47Å; L1921-I1923 PolarHBondContact O-N 3.23Å; L1921-I1923 VanDerWaalsContact O-N 3.14Å; I1923-G1925 VanDerWaalsContact C-N 3.33Å; I1923-F1930 HydrophobicContact CG2-CE2 4.42Å; I1923-F1930 WeakPolarHBondContact O-CD2 3.35Å; I1923-L1991 HydrophobicContact CD1-CB 4.16Å; I1923-P1993 HydrophobicContact CG2-CB 4.25Å; I1923-P1993 HydrophobicContact CG2-CG 4.1Å |
| 1924 | L | 89.6 | Confident | 87.7 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -79 | -13.3 | 179.6 | -68.3 | 167.2 | 0 | 0 | 0 | 113.8 | M1920 L1921 D1926 F1930 L1978 F2097 F2099 F2104 | M1920-L1924 PolarHBondContact O-N 2.88Å; M1920-L1924 VanDerWaalsContact O-N 3.17Å; L1921-L1924 PolarHBondContact O-N 2.93Å; L1924-D1926 VanDerWaalsContact C-N 3.28Å; L1924-D1926 PolarHBondContact O-N 2.89Å; L1924-F1930 HydrophobicContact CD2-CB 4.34Å; L1924-F1930 HydrophobicContact CD2-CD1 4.41Å; L1924-F1930 HydrophobicContact CD2-CG 4.25Å; L1924-L1978 HydrophobicContact CD1-CD2 4.27Å; L1924-L1978 HydrophobicContact CD2-CD2 3.8Å; L1924-L1978 HydrophobicContact CG-CD2 4.24Å; L1924-F2097 HydrophobicContact CD2-CE2 3.68Å; L1924-F2097 HydrophobicContact CD2-CZ 3.58Å; L1924-F2099 HydrophobicContact CD1-CB 4.17Å; L1924-F2099 HydrophobicContact CD1-CD1 3.91Å; L1924-F2099 HydrophobicContact CD1-CG 4.2Å; L1924-F2104 HydrophobicContact CB-CD1 4.19Å; L1924-F2104 HydrophobicContact CB-CE1 3.96Å; L1924-F2104 HydrophobicContact CB-CZ 4.45Å; L1924-F2104 HydrophobicContact CD1-CD1 4.35Å; L1924-F2104 HydrophobicContact CD1-CD2 4.06Å; L1924-F2104 HydrophobicContact CD1-CE1 4.1Å; L1924-F2104 HydrophobicContact CD1-CE2 3.79Å; L1924-F2104 HydrophobicContact CD1-CG 4.35Å; L1924-F2104 HydrophobicContact CD1-CZ 3.82Å; L1924-F2104 HydrophobicContact CD2-CB 4.43Å; L1924-F2104 HydrophobicContact CD2-CD1 4.12Å; L1924-F2104 HydrophobicContact CD2-CD2 4.49Å; L1924-F2104 HydrophobicContact CD2-CG 4.09Å; L1924-F2104 HydrophobicContact CG-CD1 4.46Å; L1924-F2104 HydrophobicContact CG-CE1 4.44Å |
| 1925 | G | 87.2 | Confident | 86.3 | Confident | 57 Ų | 57 | 60.3 Ų | 60.3 | 59% | 0.588 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -4.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1921 I1923 Q1927 | L1921-G1925 PolarHBondContact O-N 2.85Å; I1923-G1925 VanDerWaalsContact C-N 3.33Å; G1925-Q1927 PolarHBondContact O-N 3.05Å |
| 1926 | D | 86.9 | Confident | 84.8 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 39% | 0.39 | 36% | 0.355 | S | S | . | . | trans | -76.5 | 88.1 | 173.5 | -177.3 | -8.8 | 0 | 0 | 0 | 110.2 | L1924 S1928 K1929 F1930 | L1924-D1926 VanDerWaalsContact C-N 3.28Å; L1924-D1926 PolarHBondContact O-N 2.89Å; D1926-S1928 PolarHBondContact O-N 2.72Å; D1926-S1928 VanDerWaalsContact O-N 3.1Å; D1926-S1928 WeakPolarHBondContact OD1-CB 3.5Å; D1926-S1928 PolarHBondContact OD1-N 3.45Å; D1926-S1928 VanDerWaalsContact OD1-N 3.12Å; D1926-S1928 PolarHBondContact OD1-OG 3.14Å; D1926-K1929 PolarHBondContact O-N 3.14Å; D1926-K1929 WeakPolarHBondContact OD2-CG 2.96Å; D1926-F1930 PolarHBondContact O-N 3.3Å | ||
| 1927 | Q | 84.7 | Confident | 83.2 | Confident | 152 Ų | 152 | 65.3 Ų | 65.3 | 71% | 0.71 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -14.4 | -177.8 | -65.8 | -167.8 | -0.3 | 0 | 0 | 114.3 | G1925 K1929 F1930 L1931 | G1925-Q1927 PolarHBondContact O-N 3.05Å; Q1927-K1929 VanDerWaalsContact C-N 3.27Å; Q1927-F1930 WeakPolarHBondContact CA-O 3.34Å; Q1927-L1931 HydrophobicContact CB-CD2 4.04Å; Q1927-L1931 HydrophobicContact CG-CD2 4.38Å; Q1927-L1931 WeakPolarHBondContact O-CD2 3.47Å |
| 1928 | S | 83.3 | Confident | 82 | Confident | 71 Ų | 71 | 63.1 Ų | 63.1 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -23.2 | 171.9 | 77.7 | 0 | 0 | 0 | 0 | 112.5 | D1926 | D1926-S1928 PolarHBondContact O-N 2.72Å; D1926-S1928 VanDerWaalsContact O-N 3.1Å; D1926-S1928 WeakPolarHBondContact OD1-CB 3.5Å; D1926-S1928 PolarHBondContact OD1-N 3.45Å; D1926-S1928 VanDerWaalsContact OD1-N 3.12Å; D1926-S1928 PolarHBondContact OD1-OG 3.14Å |
| 1929 | K | 86.8 | Confident | 81.1 | Confident | 20 Ų | 20 | 63.6 Ų | 63.6 | 9% | 0.087 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -37.5 | -176.3 | -50.8 | -56.2 | 172.8 | 171 | 0 | 113 | D1926 Q1927 T2055 Q2106 V2107 D2108 | D1926-K1929 PolarHBondContact O-N 3.14Å; D1926-K1929 WeakPolarHBondContact OD2-CG 2.96Å; Q1927-K1929 VanDerWaalsContact C-N 3.27Å; K1929-T2055 WeakPolarHBondContact CD-O 3.24Å; K1929-T2055 WeakPolarHBondContact CE-O 2.88Å; K1929-T2055 PolarHBondContact NZ-O 3.44Å; K1929-Q2106 CarbonylContact O-C 3.31Å; K1929-Q2106 VanDerWaalsContact O-CA 3.3Å; K1929-Q2106 WeakPolarHBondContact O-CA 3.1Å; K1929-Q2106 WeakPolarHBondContact O-CG 3.23Å; K1929-V2107 PolarHBondContact O-N 3.43Å; K1929-D2108 HydrophobicContact CD-CB 4.1Å; K1929-D2108 IonicContact NZ-OD2 2.67Å; K1929-D2108 PolarHBondContact NZ-OD2 3.13Å |
| 1930 | F | 91.4 | Very high | 80.5 | Confident | 15 Ų | 15 | 63.1 Ų | 63.1 | 7% | 0.066 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 125.1 | -174 | -54.9 | -72.8 | 0 | 0 | 0 | 111.5 | I1923 L1924 D1926 Q1927 T2055 F2097 R2105 Q2106 | I1923-F1930 HydrophobicContact CG2-CE2 4.42Å; I1923-F1930 WeakPolarHBondContact O-CD2 3.35Å; L1924-F1930 HydrophobicContact CD2-CB 4.34Å; L1924-F1930 HydrophobicContact CD2-CD1 4.41Å; L1924-F1930 HydrophobicContact CD2-CG 4.25Å; D1926-F1930 PolarHBondContact O-N 3.3Å; Q1927-F1930 WeakPolarHBondContact CA-O 3.34Å; F1930-T2055 HydrophobicContact CZ-CG2 4.5Å; F1930-F2097 HydrophobicContact CD1-CE1 4.05Å; F1930-F2097 AromaticContact CD1-CZ 3.9Å; F1930-F2097 HydrophobicContact CD1-CZ 3.9Å; F1930-F2097 HydrophobicContact CE1-CE1 4.38Å; F1930-F2097 HydrophobicContact CE1-CZ 4.3Å; F1930-R2105 WeakPolarHBondContact CA-O 3.33Å; F1930-Q2106 HydrophobicContact CD1-CB 3.86Å; F1930-Q2106 HydrophobicContact CD1-CG 4.03Å; F1930-Q2106 HydrophobicContact CE1-CB 3.86Å; F1930-Q2106 HydrophobicContact CE1-CG 3.74Å |
| 1931 | L | 89 | Confident | 79.7 | Confident | 68 Ų | 68 | 72.6 Ų | 72.6 | 36% | 0.356 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 141.6 | 170.4 | -59.6 | -179.5 | 0 | 0 | 0 | 109.7 | Q1927 F2104 R2105 V2107 | Q1927-L1931 HydrophobicContact CB-CD2 4.04Å; Q1927-L1931 HydrophobicContact CG-CD2 4.38Å; Q1927-L1931 WeakPolarHBondContact O-CD2 3.47Å; L1931-F2104 CarbonylContact O-C 3.57Å; L1931-F2104 VanDerWaalsContact O-CA 3.26Å; L1931-F2104 WeakPolarHBondContact O-CA 3.16Å; L1931-R2105 PolarHBondContact N-O 3.48Å; L1931-R2105 PolarHBondContact O-N 3.31Å; L1931-V2107 HydrophobicContact CD1-CG1 3.81Å; L1931-V2107 HydrophobicContact CG-CG1 4.02Å; L1931-V2107 HydrophobicContact CG-CG2 4.45Å |
| 1932 | Q | 85.9 | Confident | 79.2 | Confident | 131 Ų | 131 | 76.1 Ų | 76.1 | 61% | 0.612 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 139.6 | 165.2 | -165.9 | 171 | -4.5 | 0 | 0 | 108.6 | E2102 Y2103 F2104 | Q1932-E2102 PolarHBondContact NE2-OE2 2.91Å; Q1932-Y2103 WeakPolarHBondContact CG-O 3.42Å; Q1932-F2104 HydrophobicContact CB-CD1 3.91Å; Q1932-F2104 HydrophobicContact CB-CE1 3.8Å; Q1932-F2104 HydrophobicContact CG-CD1 4.08Å; Q1932-F2104 HydrophobicContact CG-CE1 3.73Å; Q1932-F2104 HydrophobicContact CG-CZ 4.19Å |
| 1933 | D | 78.1 | Confident | 79.1 | Confident | 13 Ų | 13 | 73.3 Ų | 73.3 | 7% | 0.07 | 40% | 0.395 | C | S | . | . | trans | -120 | 139 | -172.1 | -153.9 | -3.7 | 0 | 0 | 0 | 110 | N1937 I1938 Q2096 Y2103 R2105 | D1933-N1937 VanDerWaalsContact OD1-CB 3.3Å; D1933-N1937 WeakPolarHBondContact OD1-CB 3.45Å; D1933-N1937 PolarHBondContact OD1-ND2 3.13Å; D1933-I1938 HydrophobicContact CB-CD1 4.37Å; D1933-Q2096 PolarHBondContact OD2-NE2 3.44Å; D1933-Y2103 PolarHBondContact N-O 3.37Å; D1933-R2105 IonicContact OD1-CZ 3.8Å; D1933-R2105 IonicContact OD1-NH2 3.44Å; D1933-R2105 PolarHBondContact OD1-NH2 2.93Å; D1933-R2105 IonicContact OD2-CZ 2.7Å; D1933-R2105 VanDerWaalsContact OD2-CZ 3.3Å; D1933-R2105 IonicContact OD2-NE 2.69Å; D1933-R2105 PolarHBondContact OD2-NE 2.95Å; D1933-R2105 IonicContact OD2-NH2 3.59Å; D1933-R2105 PolarHBondContact OD2-NH2 3.17Å | ||
| 1934 | V | 69.7 | Low | 78.8 | Confident | 93 Ų | 93 | 72.9 Ų | 72.9 | 56% | 0.564 | 39% | 0.392 | S | S | * | . | trans | -77 | 139.3 | 178.7 | -168.8 | 0 | 0 | 0 | 0 | 108.9 | S1936 N1937 | V1934-S1936 WeakPolarHBondContact CG1-OG 2.99Å; V1934-S1936 PolarHBondContact O-N 3.29Å; V1934-N1937 WeakPolarHBondContact O-CB 3.06Å; V1934-N1937 PolarHBondContact O-N 2.98Å | ||
| 1935 | S | 60.3 | Low | 78.6 | Confident | 78 Ų | 78 | 75.8 Ų | 75.8 | 55% | 0.545 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -54 | -29.7 | -176.7 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | N1937 I1938 | S1935-N1937 VanDerWaalsContact C-N 3.3Å; S1935-N1937 PolarHBondContact O-N 3.35Å; S1935-I1938 WeakPolarHBondContact O-CB 3.46Å; S1935-I1938 PolarHBondContact O-N 3.4Å |
| 1936 | S | 57.4 | Low | 78.6 | Confident | 99 Ų | 99 | 79.9 Ų | 79.9 | 69% | 0.692 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -62.1 | -28.4 | 174.7 | 51.2 | 0 | 0 | 0 | 0 | 114.5 | V1934 I1938 | V1934-S1936 WeakPolarHBondContact CG1-OG 2.99Å; V1934-S1936 PolarHBondContact O-N 3.29Å; S1936-I1938 PolarHBondContact O-N 3.46Å |
| 1937 | N | 60.2 | Low | 78.8 | Confident | 90 Ų | 90 | 76.4 Ų | 76.4 | 48% | 0.481 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -76.3 | -6 | 178.8 | -69.1 | -25.9 | 0 | 0 | 0 | 113.4 | D1933 V1934 S1935 N1939 Q2096 | D1933-N1937 VanDerWaalsContact OD1-CB 3.3Å; D1933-N1937 WeakPolarHBondContact OD1-CB 3.45Å; D1933-N1937 PolarHBondContact OD1-ND2 3.13Å; V1934-N1937 WeakPolarHBondContact O-CB 3.06Å; V1934-N1937 PolarHBondContact O-N 2.98Å; S1935-N1937 VanDerWaalsContact C-N 3.3Å; S1935-N1937 PolarHBondContact O-N 3.35Å; N1937-N1939 PolarHBondContact O-N 3.04Å; N1937-Q2096 PolarHBondContact O-NE2 2.85Å |
| 1938 | I | 64.6 | Low | 79 | Confident | 26 Ų | 26 | 74 Ų | 74 | 13% | 0.133 | 38% | 0.38 | C | S | . | . | trans | -106.5 | 77.9 | -158.6 | -56.3 | -177.1 | 0 | 0 | 0 | 110.6 | D1933 S1935 S1936 V1940 L1975 Y2103 | D1933-I1938 HydrophobicContact CB-CD1 4.37Å; S1935-I1938 WeakPolarHBondContact O-CB 3.46Å; S1935-I1938 PolarHBondContact O-N 3.4Å; S1936-I1938 PolarHBondContact O-N 3.46Å; I1938-V1940 HydrophobicContact CG2-CG2 4.41Å; I1938-V1940 PolarHBondContact O-N 2.91Å; I1938-L1975 HydrophobicContact CG2-CD1 3.62Å; I1938-L1975 HydrophobicContact CG2-CD2 4.49Å; I1938-L1975 HydrophobicContact CG2-CG 4.29Å; I1938-Y2103 HydrophobicContact CD1-CD1 3.3Å; I1938-Y2103 HydrophobicContact CD1-CD2 4.08Å; I1938-Y2103 HydrophobicContact CD1-CE1 4.1Å; I1938-Y2103 HydrophobicContact CD1-CG 3.29Å; I1938-Y2103 HydrophobicContact CG2-CD1 4.48Å | ||
| 1939 | N | 71.3 | Confident | 79.2 | Confident | 85 Ų | 85 | 73.5 Ų | 73.5 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | trans | -97.8 | 84.9 | 178.7 | -164.9 | -33.2 | 0 | 0 | 0 | 111.4 | N1937 R1941 K1942 L1943 | N1937-N1939 PolarHBondContact O-N 3.04Å; N1939-R1941 PolarHBondContact O-N 3.39Å; N1939-R1941 WeakPolarHBondContact OD1-CB 3.3Å; N1939-R1941 PolarHBondContact OD1-N 3.05Å; N1939-K1942 HydrophobicContact CB-CB 3.78Å; N1939-K1942 WeakPolarHBondContact O-CB 3.35Å; N1939-K1942 PolarHBondContact O-N 2.9Å; N1939-K1942 PolarHBondContact OD1-N 3.31Å; N1939-L1943 PolarHBondContact O-N 2.89Å; N1939-L1943 VanDerWaalsContact O-N 3.17Å | ||
| 1940 | V | 80.3 | Confident | 79.5 | Confident | 34 Ų | 34 | 73.6 Ų | 73.6 | 21% | 0.206 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -56.4 | -37.8 | 176.9 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | I1938 K1942 L1943 E1944 L1975 P2001 | I1938-V1940 HydrophobicContact CG2-CG2 4.41Å; I1938-V1940 PolarHBondContact O-N 2.91Å; V1940-K1942 VanDerWaalsContact C-N 3.33Å; V1940-K1942 PolarHBondContact O-N 2.99Å; V1940-L1943 PolarHBondContact O-N 3.17Å; V1940-L1943 VanDerWaalsContact O-N 3.14Å; V1940-E1944 HydrophobicContact CG1-CG 4.43Å; V1940-E1944 WeakPolarHBondContact O-CG 2.89Å; V1940-E1944 PolarHBondContact O-N 3.33Å; V1940-L1975 HydrophobicContact CG2-CD2 4.15Å; V1940-L1975 HydrophobicContact CG2-CG 4.09Å; V1940-P2001 HydrophobicContact CG1-CG 3.8Å |
| 1941 | R | 77.5 | Confident | 79.5 | Confident | 200 Ų | 200 | 72.9 Ų | 72.9 | 76% | 0.755 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.7 | -34.4 | 176.4 | -62.4 | -178.6 | -178.4 | 176.8 | 1.3 | 112.5 | N1939 S1945 | N1939-R1941 PolarHBondContact O-N 3.39Å; N1939-R1941 WeakPolarHBondContact OD1-CB 3.3Å; N1939-R1941 PolarHBondContact OD1-N 3.05Å; R1941-S1945 VanDerWaalsContact O-CB 3.25Å; R1941-S1945 WeakPolarHBondContact O-CB 3.17Å; R1941-S1945 PolarHBondContact O-N 3.26Å; R1941-S1945 PolarHBondContact O-OG 2.96Å |
| 1942 | K | 80.7 | Confident | 79.5 | Confident | 143 Ų | 143 | 73.1 Ų | 73.1 | 62% | 0.622 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -67.9 | -37.7 | 173.9 | -170 | 174.5 | -177.4 | 175.5 | 0 | 110.9 | N1939 V1940 S1945 R1946 | N1939-K1942 HydrophobicContact CB-CB 3.78Å; N1939-K1942 WeakPolarHBondContact O-CB 3.35Å; N1939-K1942 PolarHBondContact O-N 2.9Å; N1939-K1942 PolarHBondContact OD1-N 3.31Å; V1940-K1942 VanDerWaalsContact C-N 3.33Å; V1940-K1942 PolarHBondContact O-N 2.99Å; K1942-S1945 PolarHBondContact O-N 3.18Å; K1942-R1946 WeakPolarHBondContact O-CG 3.05Å; K1942-R1946 PolarHBondContact O-N 3.37Å |
| 1943 | L | 85 | Confident | 79.7 | Confident | 40 Ų | 40 | 71.3 Ų | 71.3 | 21% | 0.209 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.7 | -45.7 | 172.9 | -174.8 | 59.1 | 0 | 0 | 0 | 112.2 | N1939 V1940 S1945 R1946 V1947 P2001 T2002 L2090 | N1939-L1943 PolarHBondContact O-N 2.89Å; N1939-L1943 VanDerWaalsContact O-N 3.17Å; V1940-L1943 PolarHBondContact O-N 3.17Å; V1940-L1943 VanDerWaalsContact O-N 3.14Å; L1943-S1945 PolarHBondContact O-N 2.9Å; L1943-R1946 PolarHBondContact O-N 2.96Å; L1943-R1946 VanDerWaalsContact O-N 3.16Å; L1943-V1947 WeakPolarHBondContact O-CG2 3.2Å; L1943-V1947 PolarHBondContact O-N 3.18Å; L1943-P2001 HydrophobicContact CB-CG 4.43Å; L1943-P2001 HydrophobicContact CD2-CB 4.17Å; L1943-P2001 HydrophobicContact CD2-CG 4.02Å; L1943-P2001 HydrophobicContact CG-CB 3.98Å; L1943-P2001 HydrophobicContact CG-CG 4.16Å; L1943-T2002 HydrophobicContact CD1-CG2 4.43Å; L1943-L2090 HydrophobicContact CD1-CD1 4.21Å |
| 1944 | E | 85.5 | Confident | 80.3 | Confident | 33 Ų | 33 | 70.7 Ų | 70.7 | 15% | 0.154 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -55.2 | -40.1 | 171.4 | -71 | -169.4 | 138.8 | 0 | 0 | 111.4 | V1940 V1947 K1948 P1970 G1972 S1973 P2001 | V1940-E1944 HydrophobicContact CG1-CG 4.43Å; V1940-E1944 WeakPolarHBondContact O-CG 2.89Å; V1940-E1944 PolarHBondContact O-N 3.33Å; E1944-V1947 PolarHBondContact O-N 3.33Å; E1944-K1948 VanDerWaalsContact O-CB 3.24Å; E1944-K1948 WeakPolarHBondContact O-CB 3.48Å; E1944-K1948 PolarHBondContact O-N 2.86Å; E1944-P1970 HydrophobicContact CB-CB 4.49Å; E1944-P1970 HydrophobicContact CB-CG 3.9Å; E1944-P1970 HydrophobicContact CG-CB 3.9Å; E1944-P1970 HydrophobicContact CG-CG 3.83Å; E1944-G1972 PolarHBondContact OE1-N 3.15Å; E1944-S1973 WeakPolarHBondContact OE1-CB 3.27Å; E1944-S1973 PolarHBondContact OE1-N 2.99Å; E1944-S1973 PolarHBondContact OE1-OG 3.41Å; E1944-P2001 HydrophobicContact CG-CB 3.95Å; E1944-P2001 HydrophobicContact CG-CG 3.81Å |
| 1945 | S | 84.5 | Confident | 81.1 | Confident | 70 Ų | 70 | 68.1 Ų | 68.1 | 49% | 0.49 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.1 | -39 | 177.3 | -61 | 0 | 0 | 0 | 0 | 112.9 | R1941 K1942 L1943 S1949 | R1941-S1945 VanDerWaalsContact O-CB 3.25Å; R1941-S1945 WeakPolarHBondContact O-CB 3.17Å; R1941-S1945 PolarHBondContact O-N 3.26Å; R1941-S1945 PolarHBondContact O-OG 2.96Å; K1942-S1945 PolarHBondContact O-N 3.18Å; L1943-S1945 PolarHBondContact O-N 2.9Å; S1945-S1949 VanDerWaalsContact O-CB 3.22Å; S1945-S1949 WeakPolarHBondContact O-CB 3.4Å; S1945-S1949 PolarHBondContact O-N 3.18Å |
| 1946 | R | 88 | Confident | 82.3 | Confident | 144 Ų | 144 | 73.3 Ų | 73.3 | 54% | 0.543 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 171.6 | -74.5 | 178.3 | 73.6 | -170.8 | 3.6 | 111.8 | K1942 L1943 N1950 L2090 | K1942-R1946 WeakPolarHBondContact O-CG 3.05Å; K1942-R1946 PolarHBondContact O-N 3.37Å; L1943-R1946 PolarHBondContact O-N 2.96Å; L1943-R1946 VanDerWaalsContact O-N 3.16Å; R1946-N1950 PolarHBondContact O-N 3.45Å; R1946-N1950 VanDerWaalsContact O-N 3.14Å; R1946-N1950 PolarHBondContact O-ND2 3.18Å; R1946-L2090 HydrophobicContact CB-CD1 4.35Å |
| 1947 | V | 90.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64 | -52.1 | 174.3 | 171.1 | 0 | 0 | 0 | 0 | 110.2 | L1943 E1944 S1949 N1950 L1951 P1970 P2001 T2002 L2005 | L1943-V1947 WeakPolarHBondContact O-CG2 3.2Å; L1943-V1947 PolarHBondContact O-N 3.18Å; E1944-V1947 PolarHBondContact O-N 3.33Å; V1947-S1949 VanDerWaalsContact C-N 3.31Å; V1947-S1949 PolarHBondContact O-N 3.04Å; V1947-N1950 PolarHBondContact O-N 2.94Å; V1947-L1951 HydrophobicContact CG1-CD1 3.77Å; V1947-L1951 HydrophobicContact CG1-CG 4.27Å; V1947-L1951 WeakPolarHBondContact O-CB 3.17Å; V1947-L1951 WeakPolarHBondContact O-CG 3.46Å; V1947-L1951 PolarHBondContact O-N 3.09Å; V1947-P1970 HydrophobicContact CB-CG 4.24Å; V1947-P1970 HydrophobicContact CG1-CG 4.02Å; V1947-P2001 HydrophobicContact CG2-CB 4.42Å; V1947-T2002 HydrophobicContact CG2-CG2 3.98Å; V1947-L2005 HydrophobicContact CG1-CD2 4.24Å |
| 1948 | K | 88.7 | Confident | 84.7 | Confident | 100 Ų | 100 | 75.3 Ų | 75.3 | 44% | 0.435 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -56.9 | -40.7 | 177.4 | -175.5 | -173.2 | 173.9 | -167.2 | 0 | 112.4 | E1944 L1951 L1952 F1965 | E1944-K1948 VanDerWaalsContact O-CB 3.24Å; E1944-K1948 WeakPolarHBondContact O-CB 3.48Å; E1944-K1948 PolarHBondContact O-N 2.86Å; K1948-L1951 PolarHBondContact O-N 2.96Å; K1948-L1952 HydrophobicContact CG-CD1 4.46Å; K1948-L1952 WeakPolarHBondContact O-CB 3.15Å; K1948-L1952 VanDerWaalsContact O-CG 3.31Å; K1948-L1952 WeakPolarHBondContact O-CG 3.46Å; K1948-L1952 PolarHBondContact O-N 3.45Å; K1948-F1965 HydrophobicContact CG-CZ 4.24Å |
| 1949 | S | 88.3 | Confident | 85.7 | Confident | 62 Ų | 62 | 75.4 Ų | 75.4 | 43% | 0.434 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 177.4 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | S1945 V1947 L1952 K1953 | S1945-S1949 VanDerWaalsContact O-CB 3.22Å; S1945-S1949 WeakPolarHBondContact O-CB 3.4Å; S1945-S1949 PolarHBondContact O-N 3.18Å; V1947-S1949 VanDerWaalsContact C-N 3.31Å; V1947-S1949 PolarHBondContact O-N 3.04Å; S1949-L1952 WeakPolarHBondContact O-CB 3.36Å; S1949-L1952 PolarHBondContact O-N 3.4Å; S1949-L1952 VanDerWaalsContact O-N 3.17Å; S1949-K1953 PolarHBondContact O-N 3.14Å |
| 1950 | N | 91.9 | Very high | 86.5 | Confident | 21 Ų | 21 | 71.6 Ų | 71.6 | 11% | 0.112 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -72.7 | -29.9 | 177.2 | -68.7 | -62.2 | 0 | 0 | 0 | 112.8 | R1946 V1947 L1952 K1953 L1954 F2083 L2087 | R1946-N1950 PolarHBondContact O-N 3.45Å; R1946-N1950 VanDerWaalsContact O-N 3.14Å; R1946-N1950 PolarHBondContact O-ND2 3.18Å; V1947-N1950 PolarHBondContact O-N 2.94Å; N1950-L1952 VanDerWaalsContact C-N 3.35Å; N1950-K1953 WeakPolarHBondContact O-CB 3.17Å; N1950-K1953 PolarHBondContact O-N 3.36Å; N1950-K1953 PolarHBondContact OD1-NZ 2.77Å; N1950-L1954 WeakPolarHBondContact O-CG 3.45Å; N1950-L1954 PolarHBondContact O-N 3.04Å; N1950-F2083 HydrophobicContact CB-CE2 4.4Å; N1950-F2083 HydrophobicContact CB-CZ 4.34Å; N1950-L2087 HydrophobicContact CB-CD2 3.95Å |
| 1951 | L | 91.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.4 | -37.2 | 167 | -70.2 | 171.7 | 0 | 0 | 0 | 111.8 | V1947 K1948 L1954 L1955 I1960 F1965 L1968 K1969 L2005 | V1947-L1951 HydrophobicContact CG1-CD1 3.77Å; V1947-L1951 HydrophobicContact CG1-CG 4.27Å; V1947-L1951 WeakPolarHBondContact O-CB 3.17Å; V1947-L1951 WeakPolarHBondContact O-CG 3.46Å; V1947-L1951 PolarHBondContact O-N 3.09Å; K1948-L1951 PolarHBondContact O-N 2.96Å; L1951-L1954 HydrophobicContact CD2-CD1 4.37Å; L1951-L1954 PolarHBondContact O-N 2.78Å; L1951-L1955 WeakPolarHBondContact O-CB 3.41Å; L1951-L1955 PolarHBondContact O-N 3.43Å; L1951-I1960 HydrophobicContact CB-CD1 4.25Å; L1951-I1960 HydrophobicContact CD2-CD1 3.76Å; L1951-F1965 HydrophobicContact CB-CD2 3.77Å; L1951-F1965 HydrophobicContact CB-CE2 3.67Å; L1951-L1968 HydrophobicContact CD1-CB 3.91Å; L1951-L1968 HydrophobicContact CD2-CB 3.72Å; L1951-L1968 HydrophobicContact CD2-CD1 3.87Å; L1951-L1968 HydrophobicContact CD2-CG 4.45Å; L1951-K1969 HydrophobicContact CD1-CB 4.49Å; L1951-L2005 HydrophobicContact CD2-CD1 4.2Å |
| 1952 | L | 89.2 | Confident | 86.8 | Confident | 73 Ų | 73 | 68.1 Ų | 68.1 | 38% | 0.382 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.1 | -33.9 | 173 | -74.2 | 171.3 | 0 | 0 | 0 | 112.3 | K1948 S1949 N1950 L1955 K1956 F1965 | K1948-L1952 HydrophobicContact CG-CD1 4.46Å; K1948-L1952 WeakPolarHBondContact O-CB 3.15Å; K1948-L1952 VanDerWaalsContact O-CG 3.31Å; K1948-L1952 WeakPolarHBondContact O-CG 3.46Å; K1948-L1952 PolarHBondContact O-N 3.45Å; S1949-L1952 WeakPolarHBondContact O-CB 3.36Å; S1949-L1952 PolarHBondContact O-N 3.4Å; S1949-L1952 VanDerWaalsContact O-N 3.17Å; N1950-L1952 VanDerWaalsContact C-N 3.35Å; L1952-L1955 HydrophobicContact CD2-CD2 4.17Å; L1952-L1955 PolarHBondContact O-N 3.28Å; L1952-K1956 WeakPolarHBondContact O-CG 3.17Å; L1952-K1956 PolarHBondContact O-N 3.14Å; L1952-F1965 HydrophobicContact CD2-CE2 3.65Å; L1952-F1965 HydrophobicContact CD2-CZ 3.69Å; L1952-F1965 HydrophobicContact CG-CE2 3.76Å; L1952-F1965 HydrophobicContact CG-CZ 3.97Å |
| 1953 | K | 89.9 | Confident | 86.7 | Confident | 94 Ų | 94 | 64.2 Ų | 64.2 | 41% | 0.409 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.3 | -50.8 | 168.6 | -68.5 | -179.5 | -177.2 | 175.2 | 0 | 111.1 | S1949 N1950 L1955 K1956 M1957 F2083 | S1949-K1953 PolarHBondContact O-N 3.14Å; N1950-K1953 WeakPolarHBondContact O-CB 3.17Å; N1950-K1953 PolarHBondContact O-N 3.36Å; N1950-K1953 PolarHBondContact OD1-NZ 2.77Å; K1953-L1955 VanDerWaalsContact C-N 3.25Å; K1953-L1955 PolarHBondContact O-N 2.69Å; K1953-K1956 PolarHBondContact O-N 2.82Å; K1953-K1956 VanDerWaalsContact O-N 3.13Å; K1953-M1957 WeakPolarHBondContact O-CB 3.36Å; K1953-M1957 VanDerWaalsContact O-CG 3.27Å; K1953-M1957 WeakPolarHBondContact O-CG 3.05Å; K1953-M1957 PolarHBondContact O-N 3.4Å; K1953-F2083 HydrophobicContact CB-CE1 4.11Å; K1953-F2083 HydrophobicContact CB-CE2 4.47Å; K1953-F2083 HydrophobicContact CB-CZ 3.67Å; K1953-F2083 HydrophobicContact CD-CE2 3.77Å; K1953-F2083 HydrophobicContact CD-CZ 3.81Å; K1953-F2083 HydrophobicContact CG-CZ 4.42Å |
| 1954 | L | 91.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.6 | -35.5 | 176.9 | -73.7 | 166.7 | 0 | 0 | 0 | 112.7 | N1950 L1951 M1957 N1958 V1959 I1960 W2008 I2079 F2083 L2087 | N1950-L1954 WeakPolarHBondContact O-CG 3.45Å; N1950-L1954 PolarHBondContact O-N 3.04Å; L1951-L1954 HydrophobicContact CD2-CD1 4.37Å; L1951-L1954 PolarHBondContact O-N 2.78Å; L1954-M1957 CarbonylContact O-C 2.84Å; L1954-M1957 PolarHBondContact O-N 2.74Å; L1954-N1958 PolarHBondContact O-N 2.7Å; L1954-V1959 HydrophobicContact CB-CB 4.41Å; L1954-V1959 HydrophobicContact CD2-CB 3.84Å; L1954-V1959 HydrophobicContact CD2-CG1 3.94Å; L1954-V1959 HydrophobicContact CD2-CG2 4.05Å; L1954-V1959 PolarHBondContact O-N 3.23Å; L1954-I1960 HydrophobicContact CB-CD1 4Å; L1954-I1960 HydrophobicContact CB-CG1 3.95Å; L1954-W2008 HydrophobicContact CD1-CH2 4.07Å; L1954-W2008 HydrophobicContact CD1-CZ3 3.95Å; L1954-W2008 HydrophobicContact CD2-CH2 4.25Å; L1954-I2079 HydrophobicContact CD2-CD1 4.08Å; L1954-I2079 HydrophobicContact CD2-CG1 4.18Å; L1954-F2083 HydrophobicContact CD2-CD1 4.46Å; L1954-F2083 HydrophobicContact CD2-CE1 3.72Å; L1954-F2083 HydrophobicContact CD2-CZ 4.47Å; L1954-F2083 HydrophobicContact CG-CE1 3.85Å; L1954-F2083 HydrophobicContact CG-CZ 4.16Å; L1954-L2087 HydrophobicContact CD1-CD1 4.01Å; L1954-L2087 HydrophobicContact CD1-CD2 4.2Å; L1954-L2087 HydrophobicContact CD2-CD1 4.02Å; L1954-L2087 HydrophobicContact CG-CD1 4.31Å |
| 1955 | L | 85.7 | Confident | 86.6 | Confident | 38 Ų | 38 | 63.2 Ų | 63.2 | 20% | 0.199 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.7 | -45.6 | 174.1 | -174.3 | 67.1 | 0 | 0 | 0 | 111.7 | L1951 L1952 K1953 M1957 N1958 I1960 F1965 | L1951-L1955 WeakPolarHBondContact O-CB 3.41Å; L1951-L1955 PolarHBondContact O-N 3.43Å; L1952-L1955 HydrophobicContact CD2-CD2 4.17Å; L1952-L1955 PolarHBondContact O-N 3.28Å; K1953-L1955 VanDerWaalsContact C-N 3.25Å; K1953-L1955 PolarHBondContact O-N 2.69Å; L1955-M1957 PolarHBondContact O-N 2.92Å; L1955-N1958 PolarHBondContact O-N 2.87Å; L1955-I1960 HydrophobicContact CB-CG1 4.23Å; L1955-I1960 HydrophobicContact CD1-CG1 4.48Å; L1955-I1960 WeakPolarHBondContact CD1-O 3.14Å; L1955-F1965 HydrophobicContact CD2-CD2 4.21Å; L1955-F1965 HydrophobicContact CD2-CG 4.34Å |
| 1956 | K | 84.8 | Confident | 86.4 | Confident | 187 Ų | 187 | 64.8 Ų | 64.8 | 81% | 0.813 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.9 | -32.5 | 173.1 | -77.2 | -175.3 | 174.9 | -168.4 | 0 | 112.7 | L1952 K1953 N1958 | L1952-K1956 WeakPolarHBondContact O-CG 3.17Å; L1952-K1956 PolarHBondContact O-N 3.14Å; K1953-K1956 PolarHBondContact O-N 2.82Å; K1953-K1956 VanDerWaalsContact O-N 3.13Å; K1956-N1958 VanDerWaalsContact C-N 3.26Å; K1956-N1958 PolarHBondContact O-N 3.39Å |
| 1957 | M | 86.1 | Confident | 86 | Confident | 87 Ų | 87 | 62.5 Ų | 62.5 | 43% | 0.429 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 4.5 | 175.2 | -62.7 | 170.1 | 84.1 | 0 | 0 | 113.1 | K1953 L1954 L1955 V1959 P2080 F2083 | K1953-M1957 WeakPolarHBondContact O-CB 3.36Å; K1953-M1957 VanDerWaalsContact O-CG 3.27Å; K1953-M1957 WeakPolarHBondContact O-CG 3.05Å; K1953-M1957 PolarHBondContact O-N 3.4Å; L1954-M1957 CarbonylContact O-C 2.84Å; L1954-M1957 PolarHBondContact O-N 2.74Å; L1955-M1957 PolarHBondContact O-N 2.92Å; M1957-V1959 HydrophobicContact CB-CG2 3.87Å; M1957-V1959 PolarHBondContact O-N 3.1Å; M1957-V1959 VanDerWaalsContact O-N 3.11Å; M1957-P2080 HydrophobicContact CE-CG 3.74Å; M1957-F2083 HydrophobicContact CE-CD1 4.19Å; M1957-F2083 HydrophobicContact SD-CD1 3.77Å; M1957-F2083 HydrophobicContact SD-CE1 3.75Å |
| 1958 | N | 83.2 | Confident | 85.9 | Confident | 144 Ų | 144 | 63 Ų | 63 | 77% | 0.77 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 21.4 | -176.6 | -80.8 | -40.9 | 0 | 0 | 0 | 115.6 | L1954 L1955 K1956 | L1954-N1958 PolarHBondContact O-N 2.7Å; L1955-N1958 PolarHBondContact O-N 2.87Å; K1956-N1958 VanDerWaalsContact C-N 3.26Å; K1956-N1958 PolarHBondContact O-N 3.39Å |
| 1959 | V | 84.9 | Confident | 85.7 | Confident | 29 Ų | 29 | 62.3 Ų | 62.3 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -75.5 | -31.7 | 177.6 | -173.1 | 0 | 0 | 0 | 0 | 111.5 | L1954 M1957 W2008 P2078 I2079 | L1954-V1959 HydrophobicContact CB-CB 4.41Å; L1954-V1959 HydrophobicContact CD2-CB 3.84Å; L1954-V1959 HydrophobicContact CD2-CG1 3.94Å; L1954-V1959 HydrophobicContact CD2-CG2 4.05Å; L1954-V1959 PolarHBondContact O-N 3.23Å; M1957-V1959 HydrophobicContact CB-CG2 3.87Å; M1957-V1959 PolarHBondContact O-N 3.1Å; M1957-V1959 VanDerWaalsContact O-N 3.11Å; V1959-W2008 HydrophobicContact CG1-CH2 3.86Å; V1959-W2008 HydrophobicContact CG1-CZ2 4.1Å; V1959-P2078 HydrophobicContact CG1-CB 4.43Å; V1959-P2078 VanDerWaalsContact CG2-O 3.25Å; V1959-P2078 WeakPolarHBondContact CG2-O 3.43Å; V1959-I2079 HydrophobicContact CG1-CD1 4.31Å; V1959-I2079 HydrophobicContact CG1-CG1 3.88Å |
| 1960 | I | 88.8 | Confident | 85.4 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -123.3 | 155.1 | 172.6 | 62.1 | 178.2 | 0 | 0 | 0 | 110.7 | L1951 L1954 L1955 E1964 F1965 L1968 W2008 | L1951-I1960 HydrophobicContact CB-CD1 4.25Å; L1951-I1960 HydrophobicContact CD2-CD1 3.76Å; L1954-I1960 HydrophobicContact CB-CD1 4Å; L1954-I1960 HydrophobicContact CB-CG1 3.95Å; L1955-I1960 HydrophobicContact CB-CG1 4.23Å; L1955-I1960 HydrophobicContact CD1-CG1 4.48Å; L1955-I1960 WeakPolarHBondContact CD1-O 3.14Å; I1960-E1964 WeakPolarHBondContact CA-OE2 3.41Å; I1960-E1964 HydrophobicContact CB-CB 3.97Å; I1960-E1964 HydrophobicContact CG2-CB 4.31Å; I1960-F1965 HydrophobicContact CD1-CB 4.22Å; I1960-F1965 HydrophobicContact CD1-CD2 4.25Å; I1960-L1968 HydrophobicContact CD1-CD1 4.47Å; I1960-L1968 HydrophobicContact CG2-CD1 4.24Å; I1960-W2008 HydrophobicContact CG2-CH2 3.8Å; I1960-W2008 HydrophobicContact CG2-CZ2 3.17Å |
| 1961 | N | 84.9 | Confident | 84.3 | Confident | 54 Ų | 54 | 64 Ų | 64 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | trans | -100 | 174.6 | 171.6 | 79 | -13.1 | 0 | 0 | 0 | 112.3 | K1341 E1963 E1964 F1965 | K1341-N1961 WeakPolarHBondContact CE-OD1 3.31Å; N1961-E1963 VanDerWaalsContact C-N 3.26Å; N1961-E1963 PolarHBondContact O-N 3.44Å; N1961-E1963 PolarHBondContact OD1-N 3.48Å; N1961-E1964 PolarHBondContact N-OE2 2.9Å; N1961-E1964 PolarHBondContact O-N 3.48Å; N1961-E1964 PolarHBondContact OD1-N 3.02Å; N1961-F1965 WeakPolarHBondContact O-CB 3.3Å; N1961-F1965 PolarHBondContact O-N 2.7Å | ||
| 1962 | N | 78.8 | Confident | 83.5 | Confident | 107 Ų | 107 | 67.3 Ų | 67.3 | 57% | 0.572 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.2 | -27.9 | 179.8 | -78.4 | -23.4 | 0 | 0 | 0 | 114.5 | N1966 | N1962-N1966 WeakPolarHBondContact O-CB 3.3Å; N1962-N1966 PolarHBondContact O-N 3.21Å; N1962-N1966 PolarHBondContact O-ND2 2.87Å |
| 1963 | E | 78.7 | Confident | 83.2 | Confident | 61 Ų | 61 | 64.9 Ų | 64.9 | 29% | 0.285 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -71.4 | -47.1 | 173.5 | -72.9 | -167.5 | 125.4 | 0 | 0 | 111.7 | P1340 K1341 N1961 F1965 N1966 I1967 | P1340-E1963 VanDerWaalsContact C-OE2 3.22Å; K1341-E1963 WeakPolarHBondContact CA-OE2 3.43Å; K1341-E1963 PolarHBondContact N-OE2 2.97Å; K1341-E1963 VanDerWaalsContact N-OE2 3.09Å; N1961-E1963 VanDerWaalsContact C-N 3.26Å; N1961-E1963 PolarHBondContact O-N 3.44Å; N1961-E1963 PolarHBondContact OD1-N 3.48Å; E1963-F1965 VanDerWaalsContact C-N 3.34Å; E1963-N1966 PolarHBondContact O-N 2.83Å; E1963-I1967 VanDerWaalsContact O-CG1 3.3Å; E1963-I1967 WeakPolarHBondContact O-CG1 3.48Å; E1963-I1967 PolarHBondContact O-N 3.45Å |
| 1964 | E | 81.6 | Confident | 82.7 | Confident | 32 Ų | 32 | 65.2 Ų | 65.2 | 15% | 0.15 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62 | -43.3 | 173.7 | -80.1 | 168.9 | 157.4 | 0 | 0 | 111.2 | K1341 I1960 N1961 N1966 I1967 L1968 | K1341-E1964 WeakPolarHBondContact CE-OE1 3Å; K1341-E1964 WeakPolarHBondContact CE-OE2 3.13Å; K1341-E1964 IonicContact NZ-OE1 3.3Å; K1341-E1964 PolarHBondContact NZ-OE1 3.48Å; K1341-E1964 IonicContact NZ-OE2 2.92Å; K1341-E1964 PolarHBondContact NZ-OE2 3.39Å; I1960-E1964 WeakPolarHBondContact CA-OE2 3.41Å; I1960-E1964 HydrophobicContact CB-CB 3.97Å; I1960-E1964 HydrophobicContact CG2-CB 4.31Å; N1961-E1964 PolarHBondContact N-OE2 2.9Å; N1961-E1964 PolarHBondContact O-N 3.48Å; N1961-E1964 PolarHBondContact OD1-N 3.02Å; E1964-N1966 VanDerWaalsContact C-N 3.28Å; E1964-N1966 PolarHBondContact O-N 3.17Å; E1964-I1967 PolarHBondContact O-N 2.72Å; E1964-L1968 HydrophobicContact CB-CD1 4.34Å; E1964-L1968 VanDerWaalsContact O-CB 3.3Å; E1964-L1968 WeakPolarHBondContact O-CB 3.03Å; E1964-L1968 WeakPolarHBondContact O-CG 3.37Å; E1964-L1968 PolarHBondContact O-N 3.41Å |
| 1965 | F | 86.9 | Confident | 82.3 | Confident | 19 Ų | 19 | 66 Ų | 66 | 8% | 0.083 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -53.4 | -46.5 | 173.2 | -178.6 | -93.5 | 0 | 0 | 0 | 111.1 | K1948 L1951 L1952 L1955 I1960 N1961 E1963 I1967 L1968 K1969 | K1948-F1965 HydrophobicContact CG-CZ 4.24Å; L1951-F1965 HydrophobicContact CB-CD2 3.77Å; L1951-F1965 HydrophobicContact CB-CE2 3.67Å; L1952-F1965 HydrophobicContact CD2-CE2 3.65Å; L1952-F1965 HydrophobicContact CD2-CZ 3.69Å; L1952-F1965 HydrophobicContact CG-CE2 3.76Å; L1952-F1965 HydrophobicContact CG-CZ 3.97Å; L1955-F1965 HydrophobicContact CD2-CD2 4.21Å; L1955-F1965 HydrophobicContact CD2-CG 4.34Å; I1960-F1965 HydrophobicContact CD1-CB 4.22Å; I1960-F1965 HydrophobicContact CD1-CD2 4.25Å; N1961-F1965 WeakPolarHBondContact O-CB 3.3Å; N1961-F1965 PolarHBondContact O-N 2.7Å; E1963-F1965 VanDerWaalsContact C-N 3.34Å; F1965-I1967 VanDerWaalsContact C-N 3.35Å; F1965-I1967 PolarHBondContact O-N 2.83Å; F1965-L1968 PolarHBondContact O-N 3.05Å; F1965-K1969 HydrophobicContact CE1-CB 4.48Å; F1965-K1969 HydrophobicContact CE1-CD 4.08Å; F1965-K1969 WeakPolarHBondContact O-CA 3.09Å; F1965-K1969 WeakPolarHBondContact O-CB 3.35Å; F1965-K1969 PolarHBondContact O-N 2.98Å |
| 1966 | N | 79.6 | Confident | 82.4 | Confident | 104 Ų | 104 | 64.5 Ų | 64.5 | 56% | 0.556 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -72.3 | -21.1 | 178.6 | -75.4 | -37 | 0 | 0 | 0 | 114.8 | N1962 E1963 E1964 | N1962-N1966 WeakPolarHBondContact O-CB 3.3Å; N1962-N1966 PolarHBondContact O-N 3.21Å; N1962-N1966 PolarHBondContact O-ND2 2.87Å; E1963-N1966 PolarHBondContact O-N 2.83Å; E1964-N1966 VanDerWaalsContact C-N 3.28Å; E1964-N1966 PolarHBondContact O-N 3.17Å |
| 1967 | I | 80.7 | Confident | 82.6 | Confident | 95 Ų | 95 | 58.8 Ų | 58.8 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -85.1 | -34.9 | 174.4 | -68.6 | 164.2 | 0 | 0 | 0 | 111.6 | P1340 E1963 E1964 F1965 | P1340-I1967 HydrophobicContact CG-CD1 4.16Å; E1963-I1967 VanDerWaalsContact O-CG1 3.3Å; E1963-I1967 WeakPolarHBondContact O-CG1 3.48Å; E1963-I1967 PolarHBondContact O-N 3.45Å; E1964-I1967 PolarHBondContact O-N 2.72Å; F1965-I1967 VanDerWaalsContact C-N 3.35Å; F1965-I1967 PolarHBondContact O-N 2.83Å |
| 1968 | L | 88.1 | Confident | 82.9 | Confident | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -88.4 | -25.6 | -178 | -60.6 | 174.1 | 0 | 0 | 0 | 112.7 | L1951 I1960 E1964 F1965 P1970 E2004 W2008 | L1951-L1968 HydrophobicContact CD1-CB 3.91Å; L1951-L1968 HydrophobicContact CD2-CB 3.72Å; L1951-L1968 HydrophobicContact CD2-CD1 3.87Å; L1951-L1968 HydrophobicContact CD2-CG 4.45Å; I1960-L1968 HydrophobicContact CD1-CD1 4.47Å; I1960-L1968 HydrophobicContact CG2-CD1 4.24Å; E1964-L1968 HydrophobicContact CB-CD1 4.34Å; E1964-L1968 VanDerWaalsContact O-CB 3.3Å; E1964-L1968 WeakPolarHBondContact O-CB 3.03Å; E1964-L1968 WeakPolarHBondContact O-CG 3.37Å; E1964-L1968 PolarHBondContact O-N 3.41Å; F1965-L1968 PolarHBondContact O-N 3.05Å; L1968-P1970 VanDerWaalsContact O-CD 3.3Å; L1968-P1970 WeakPolarHBondContact O-CD 3.25Å; L1968-E2004 HydrophobicContact CD2-CB 4.11Å; L1968-E2004 WeakPolarHBondContact CD2-O 3.15Å; L1968-W2008 HydrophobicContact CD1-CB 4.29Å; L1968-W2008 HydrophobicContact CD1-CD2 3.98Å; L1968-W2008 HydrophobicContact CD1-CG 3.81Å; L1968-W2008 HydrophobicContact CD2-CB 3.61Å; L1968-W2008 HydrophobicContact CD2-CG 4Å |
| 1969 | K | 83.6 | Confident | 83.3 | Confident | 86 Ų | 86 | 52.3 Ų | 52.3 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -62.4 | 117.9 | 175.9 | 169.7 | -167.4 | 164.8 | -160.8 | 0 | 109.3 | L1951 F1965 | L1951-K1969 HydrophobicContact CD1-CB 4.49Å; F1965-K1969 HydrophobicContact CE1-CB 4.48Å; F1965-K1969 HydrophobicContact CE1-CD 4.08Å; F1965-K1969 WeakPolarHBondContact O-CA 3.09Å; F1965-K1969 WeakPolarHBondContact O-CB 3.35Å; F1965-K1969 PolarHBondContact O-N 2.98Å |
| 1970 | P | 83 | Confident | 83.6 | Confident | 20 Ų | 20 | 51 Ų | 51 | 13% | 0.13 | 29% | 0.288 | C | S | . | . | trans | -70.1 | 151.2 | 172.5 | 28.9 | -34 | 0 | 0 | 0 | 111.9 | E1944 V1947 L1968 S1973 P2001 | E1944-P1970 HydrophobicContact CB-CB 4.49Å; E1944-P1970 HydrophobicContact CB-CG 3.9Å; E1944-P1970 HydrophobicContact CG-CB 3.9Å; E1944-P1970 HydrophobicContact CG-CG 3.83Å; V1947-P1970 HydrophobicContact CB-CG 4.24Å; V1947-P1970 HydrophobicContact CG1-CG 4.02Å; L1968-P1970 VanDerWaalsContact O-CD 3.3Å; L1968-P1970 WeakPolarHBondContact O-CD 3.25Å; P1970-S1973 VanDerWaalsContact CB-OG 3.26Å; P1970-S1973 WeakPolarHBondContact CB-OG 3.33Å; P1970-P2001 HydrophobicContact CB-CB 4.28Å; P1970-P2001 HydrophobicContact CG-CB 4.28Å | ||
| 1971 | S | 68.4 | Low | 83.7 | Confident | 99 Ų | 99 | 52.3 Ų | 52.3 | 69% | 0.692 | 30% | 0.295 | S | S | * | . | trans | -154.2 | 114.6 | 173.7 | 59.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1972 | G | 75.7 | Confident | 83.9 | Confident | 69 Ų | 69 | 49.8 Ų | 49.8 | 71% | 0.711 | 28% | 0.282 | S | S | * | . | S | Bend | trans | 72.3 | 34.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1944 | E1944-G1972 PolarHBondContact OE1-N 3.15Š|
| 1973 | S | 81.6 | Confident | 84.3 | Confident | 23 Ų | 23 | 46.5 Ų | 46.5 | 16% | 0.161 | 26% | 0.262 | C | S | . | . | trans | -65.5 | 149.4 | -177 | -52.8 | 0 | 0 | 0 | 0 | 112.9 | E1944 P1970 G1999 | E1944-S1973 WeakPolarHBondContact OE1-CB 3.27Å; E1944-S1973 PolarHBondContact OE1-N 2.99Å; E1944-S1973 PolarHBondContact OE1-OG 3.41Å; P1970-S1973 VanDerWaalsContact CB-OG 3.26Å; P1970-S1973 WeakPolarHBondContact CB-OG 3.33Å; S1973-G1999 CarbonylContact C-O 3.55Å; S1973-G1999 VanDerWaalsContact CA-O 3.26Å; S1973-G1999 WeakPolarHBondContact CA-O 3.42Å; S1973-G1999 WeakPolarHBondContact CB-O 3.31Å | ||
| 1974 | V | 80.8 | Confident | 84.3 | Confident | 101 Ų | 101 | 46.2 Ų | 46.2 | 61% | 0.612 | 26% | 0.262 | S | S | * | . | trans | -108.3 | 150.8 | 172 | -170 | 0 | 0 | 0 | 0 | 108.5 | G1999 S2000 | V1974-G1999 PolarHBondContact N-O 3.39Å; V1974-S2000 WeakPolarHBondContact O-CA 3.19Å; V1974-S2000 WeakPolarHBondContact O-CB 3.17Å | ||
| 1975 | L | 83.3 | Confident | 83.8 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 9% | 0.089 | 26% | 0.264 | C | S | . | . | trans | -58.3 | 148.4 | 170 | -82.7 | -174.6 | 0 | 0 | 0 | 111.2 | I1938 V1940 N1977 Q2096 T2098 Y2103 | I1938-L1975 HydrophobicContact CG2-CD1 3.62Å; I1938-L1975 HydrophobicContact CG2-CD2 4.49Å; I1938-L1975 HydrophobicContact CG2-CG 4.29Å; V1940-L1975 HydrophobicContact CG2-CD2 4.15Å; V1940-L1975 HydrophobicContact CG2-CG 4.09Å; L1975-N1977 PolarHBondContact O-N 3.32Å; L1975-Q2096 HydrophobicContact CD2-CB 4.11Å; L1975-T2098 HydrophobicContact CB-CG2 4.14Å; L1975-T2098 HydrophobicContact CD1-CG2 3.86Å; L1975-Y2103 HydrophobicContact CD1-CD1 3.71Å; L1975-Y2103 HydrophobicContact CD1-CE1 4Å | ||
| 1976 | P | 87.7 | Confident | 83.2 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.032 | 28% | 0.281 | C | S | . | . | trans | -54.8 | 137.7 | 167.2 | -20.1 | 31.2 | 0 | 0 | 0 | 110.6 | L1995 S1996 M1997 Q2096 F2097 T2098 | P1976-L1995 HydrophobicContact CB-CD1 3.66Å; P1976-L1995 HydrophobicContact CB-CD2 4.17Å; P1976-L1995 HydrophobicContact CB-CG 3.75Å; P1976-S1996 VanDerWaalsContact CA-O 3.29Å; P1976-S1996 WeakPolarHBondContact CA-O 3.17Å; P1976-M1997 HydrophobicContact CB-CG 4.07Å; P1976-M1997 HydrophobicContact CG-CG 4.01Å; P1976-Q2096 WeakPolarHBondContact CD-O 3.31Å; P1976-F2097 HydrophobicContact CB-CB 4.05Å; P1976-F2097 HydrophobicContact CG-CB 4.49Å; P1976-F2097 CarbonylContact O-C 3.25Å; P1976-F2097 VanDerWaalsContact O-CA 3.32Å; P1976-F2097 WeakPolarHBondContact O-CA 3.49Å; P1976-F2097 VanDerWaalsContact O-CB 3.23Å; P1976-F2097 WeakPolarHBondContact O-CB 3.41Å; P1976-T2098 PolarHBondContact O-N 2.85Å; P1976-T2098 PolarHBondContact O-OG1 2.87Å | ||
| 1977 | N | 89.3 | Confident | 82.9 | Confident | 68 Ų | 68 | 47 Ų | 47 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 124.7 | 172.6 | 175.6 | 92.7 | 0 | 0 | 0 | 110.6 | L1975 S1996 T2098 | L1975-N1977 PolarHBondContact O-N 3.32Å; N1977-S1996 PolarHBondContact N-O 2.83Å; N1977-S1996 WeakPolarHBondContact O-CB 3.41Å; N1977-S1996 PolarHBondContact O-N 3.07Å; N1977-T2098 WeakPolarHBondContact CA-O 3.4Å |
| 1978 | L | 92.2 | Very high | 82.8 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 144 | 174.4 | -166.2 | 75.1 | 0 | 0 | 0 | 111 | M1920 L1924 P1993 L1995 F2097 T2098 F2099 | M1920-L1978 HydrophobicContact CE-CD2 3.41Å; M1920-L1978 VanDerWaalsContact CE-CD2 3.41Å; M1920-L1978 HydrophobicContact CE-CG 3.63Å; L1924-L1978 HydrophobicContact CD1-CD2 4.27Å; L1924-L1978 HydrophobicContact CD2-CD2 3.8Å; L1924-L1978 HydrophobicContact CG-CD2 4.24Å; L1978-P1993 HydrophobicContact CD1-CB 4.12Å; L1978-P1993 HydrophobicContact CD2-CB 4.47Å; L1978-L1995 HydrophobicContact CB-CD1 4.1Å; L1978-L1995 HydrophobicContact CD1-CB 4.07Å; L1978-L1995 HydrophobicContact CD1-CD1 3.91Å; L1978-F2097 HydrophobicContact CB-CD2 3.84Å; L1978-F2097 HydrophobicContact CB-CE2 3.92Å; L1978-F2097 HydrophobicContact CD2-CE2 3.74Å; L1978-F2097 HydrophobicContact CD2-CZ 4.3Å; L1978-F2097 HydrophobicContact CG-CE2 4.3Å; L1978-T2098 PolarHBondContact N-O 3.18Å; L1978-F2099 HydrophobicContact CB-CB 4.39Å; L1978-F2099 WeakPolarHBondContact O-CD2 3.48Å |
| 1979 | Y | 91.8 | Very high | 82.5 | Confident | 87 Ų | 87 | 45 Ų | 45 | 34% | 0.341 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 160.1 | 171.4 | 68.8 | -77.9 | 0 | 0 | 0 | 111.7 | Y1916 L1981 I1994 | Y1916-Y1979 VanDerWaalsContact OH-CA 3.32Å; Y1916-Y1979 WeakPolarHBondContact OH-CA 3.31Å; Y1916-Y1979 WeakPolarHBondContact OH-CB 3.25Å; Y1979-L1981 HydrophobicContact CD2-CD2 4.41Å; Y1979-L1981 HydrophobicContact CE2-CD2 3.87Å; Y1979-L1981 HydrophobicContact CE2-CG 4.2Å; Y1979-I1994 HydrophobicContact CD1-CB 4.34Å; Y1979-I1994 HydrophobicContact CD1-CG2 4.45Å; Y1979-I1994 WeakPolarHBondContact CD1-O 2.46Å; Y1979-I1994 HydrophobicContact CE1-CB 3.9Å; Y1979-I1994 HydrophobicContact CE1-CG2 3.59Å; Y1979-I1994 HydrophobicContact CE2-CB 4.31Å; Y1979-I1994 HydrophobicContact CE2-CG2 4.45Å; Y1979-I1994 PolarHBondContact N-O 2.9Å; Y1979-I1994 PolarHBondContact O-N 2.93Å; Y1979-I1994 WeakPolarHBondContact OH-CG2 3.34Å |
| 1980 | G | 90.2 | Very high | 82.7 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 132.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y1916 M1920 R1992 | Y1916-G1980 PolarHBondContact OH-N 2.69Å; M1920-G1980 WeakPolarHBondContact SD-CA 3.4Å; M1920-G1980 PolarHBondContact SD-N 2.77Å; G1980-R1992 WeakPolarHBondContact CA-O 3.31Å |
| 1981 | L | 91.5 | Very high | 83.1 | Confident | 34 Ų | 34 | 42 Ų | 42 | 18% | 0.178 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 116.7 | 169 | -68.6 | -177.3 | 0 | 0 | 0 | 111.7 | R1901 D1903 Y1979 K1983 L1991 R1992 I1994 | R1901-L1981 WeakPolarHBondContact O-CD2 3.32Å; D1903-L1981 HydrophobicContact CB-CB 4.2Å; Y1979-L1981 HydrophobicContact CD2-CD2 4.41Å; Y1979-L1981 HydrophobicContact CE2-CD2 3.87Å; Y1979-L1981 HydrophobicContact CE2-CG 4.2Å; L1981-K1983 PolarHBondContact O-N 3.16Å; L1981-L1991 CarbonylContact O-C 3.46Å; L1981-L1991 WeakPolarHBondContact O-CA 3.42Å; L1981-R1992 HydrophobicContact CB-CB 4.4Å; L1981-R1992 PolarHBondContact N-O 2.8Å; L1981-R1992 PolarHBondContact O-N 3.36Å; L1981-I1994 HydrophobicContact CD1-CD1 4.36Å; L1981-I1994 HydrophobicContact CD1-CG1 3.78Å; L1981-I1994 HydrophobicContact CG-CG1 3.95Å |
| 1982 | P | 89.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 114.7 | 179.8 | -27.9 | 36.9 | 0 | 0 | 0 | 114.3 | L1900 R1901 D1903 V1909 I1984 I1989 L1991 | L1900-P1982 HydrophobicContact CD1-CG 3.98Å; R1901-P1982 WeakPolarHBondContact O-CD 3.39Å; D1903-P1982 PolarHBondContact N-O 2.72Å; V1909-P1982 HydrophobicContact CG1-CG 4.34Å; P1982-I1984 HydrophobicContact CB-CG2 4.09Å; P1982-I1984 PolarHBondContact O-N 2.97Å; P1982-I1989 HydrophobicContact CB-CG2 3.55Å; P1982-L1991 HydrophobicContact CB-CD2 4.27Å; P1982-L1991 HydrophobicContact CG-CD2 3.9Å |
| 1983 | K | 86.6 | Confident | 84.9 | Confident | 38 Ų | 38 | 38 Ų | 38 | 17% | 0.165 | 19% | 0.194 | C | C | . | . | trans | -77.4 | 62.4 | 174.9 | -59.5 | -168.7 | 179.5 | 175.1 | 0 | 112 | D1903 L1981 H1985 K1986 P1990 R1992 | D1903-K1983 HydrophobicContact CB-CB 4.28Å; D1903-K1983 HydrophobicContact CB-CG 3.74Å; L1981-K1983 PolarHBondContact O-N 3.16Å; K1983-H1985 PolarHBondContact O-N 3.17Å; K1983-K1986 HydrophobicContact CB-CB 4.48Å; K1983-K1986 PolarHBondContact O-N 2.76Å; K1983-P1990 HydrophobicContact CB-CG 4.06Å; K1983-P1990 VanDerWaalsContact CB-O 3.26Å; K1983-P1990 WeakPolarHBondContact CB-O 2.62Å; K1983-P1990 HydrophobicContact CD-CG 4.25Å; K1983-P1990 HydrophobicContact CG-CG 4.45Å; K1983-P1990 WeakPolarHBondContact CG-O 3.47Å; K1983-P1990 PolarHBondContact N-O 3.26Å; K1983-R1992 VanDerWaalsContact CE-CB 3.45Å | ||
| 1984 | I | 78.1 | Confident | 85.3 | Confident | 56 Ų | 56 | 38.6 Ų | 38.6 | 29% | 0.287 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -14.6 | -172.5 | 62.9 | 168.8 | 0 | 0 | 0 | 116 | P1902 V1909 P1982 I1989 | P1902-I1984 HydrophobicContact CB-CD1 3.7Å; P1902-I1984 HydrophobicContact CB-CG1 3.92Å; P1902-I1984 HydrophobicContact CB-CG2 4.23Å; P1902-I1984 HydrophobicContact CG-CD1 4.27Å; V1909-I1984 HydrophobicContact CG2-CG2 4.16Å; P1982-I1984 HydrophobicContact CB-CG2 4.09Å; P1982-I1984 PolarHBondContact O-N 2.97Å; I1984-I1989 HydrophobicContact CG2-CD1 4.41Å; I1984-I1989 HydrophobicContact CG2-CG2 3.9Å |
| 1985 | H | 72.4 | Confident | 85.8 | Confident | 39 Ų | 39 | 34 Ų | 34 | 18% | 0.181 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -40.1 | 176.6 | 59.7 | -82.2 | 0 | 0 | 0 | 113.2 | D1903 K1983 Y2207 | D1903-H1985 IonicContact OD2-CE1 2.72Å; K1983-H1985 PolarHBondContact O-N 3.17Å; H1985-Y2207 HydrophobicContact CB-CD1 4.16Å; H1985-Y2207 HydrophobicContact CB-CE1 3.3Å; H1985-Y2207 HydrophobicContact CB-CE2 4.46Å; H1985-Y2207 VanDerWaalsContact CB-CZ 3.49Å; H1985-Y2207 WeakPolarHBondContact CB-OH 3.36Å |
| 1986 | K | 73 | Confident | 86.1 | Confident | 103 Ų | 103 | 35.5 Ų | 35.5 | 45% | 0.448 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -70.9 | 150.1 | 173.3 | -64.9 | -154.2 | 178 | -165.3 | 0 | 109.1 | K1983 P1990 | K1983-K1986 HydrophobicContact CB-CB 4.48Å; K1983-K1986 PolarHBondContact O-N 2.76Å; K1986-P1990 HydrophobicContact CB-CG 4.48Å |
| 1987 | P | 74.3 | Confident | 86 | Confident | 28 Ų | 28 | 35.4 Ų | 35.4 | 18% | 0.182 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 163.5 | 166.1 | 22.9 | -30.4 | 0 | 0 | 0 | 112 | F22 K24 I1989 P1990 | F22-P1987 HydrophobicContact CD1-CB 4.12Å; F22-P1987 HydrophobicContact CD1-CG 3.65Å; F22-P1987 HydrophobicContact CE1-CG 3.87Å; F22-P1987 VanDerWaalsContact O-CB 3.28Å; F22-P1987 WeakPolarHBondContact O-CB 3.18Å; F22-P1987 WeakPolarHBondContact O-CG 3.03Å; K24-P1987 HydrophobicContact CB-CB 4.29Å; K24-P1987 HydrophobicContact CB-CG 4.46Å; K24-P1987 HydrophobicContact CD-CB 3.75Å; K24-P1987 HydrophobicContact CD-CG 4.27Å; K24-P1987 HydrophobicContact CG-CB 3.85Å; K24-P1987 HydrophobicContact CG-CG 4.49Å; P1987-I1989 PolarHBondContact O-N 3.36Å; P1987-P1990 WeakPolarHBondContact O-CD 2.96Å |
| 1988 | N | 78.4 | Confident | 85.4 | Confident | 28 Ų | 28 | 42.4 Ų | 42.4 | 15% | 0.15 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | -21.7 | -165.2 | -75.5 | 23.1 | 0 | 0 | 0 | 118.4 | V18 K21 F22 K1919 | V18-N1988 WeakPolarHBondContact CG1-ND2 3.2Å; V18-N1988 PolarHBondContact O-ND2 3.37Å; K21-N1988 VanDerWaalsContact CA-OD1 3.31Å; K21-N1988 WeakPolarHBondContact CA-OD1 3.25Å; K21-N1988 WeakPolarHBondContact CB-OD1 3.39Å; K21-N1988 PolarHBondContact O-OD1 2.94Å; F22-N1988 WeakPolarHBondContact CA-OD1 3.3Å; F22-N1988 HydrophobicContact CD2-CB 3.58Å; F22-N1988 WeakPolarHBondContact CD2-ND2 3.49Å; F22-N1988 HydrophobicContact CE2-CB 3.73Å; F22-N1988 HydrophobicContact CG-CB 4.15Å; F22-N1988 HydrophobicContact CZ-CB 4.43Å; F22-N1988 PolarHBondContact N-OD1 2.78Å; K1919-N1988 PolarHBondContact NZ-O 3.23Å |
| 1989 | I | 82.6 | Confident | 84.8 | Confident | 36 Ų | 36 | 44 Ų | 44 | 19% | 0.185 | 22% | 0.216 | C | C | . | . | trans | 54.4 | 60.1 | -166.4 | -44.7 | -178.6 | 0 | 0 | 0 | 108.8 | L1802 K1919 P1982 I1984 P1987 | L1802-I1989 HydrophobicContact CD1-CD1 3.72Å; L1802-I1989 HydrophobicContact CD2-CD1 4.04Å; K1919-I1989 PolarHBondContact NZ-O 3.17Å; P1982-I1989 HydrophobicContact CB-CG2 3.55Å; I1984-I1989 HydrophobicContact CG2-CD1 4.41Å; I1984-I1989 HydrophobicContact CG2-CG2 3.9Å; P1987-I1989 PolarHBondContact O-N 3.36Å | ||
| 1990 | P | 87.9 | Confident | 84.5 | Confident | 34 Ų | 34 | 40.2 Ų | 40.2 | 22% | 0.221 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 156.9 | 170.8 | 30.2 | -37.5 | 0 | 0 | 0 | 109 | F22 K1983 K1986 P1987 | F22-P1990 HydrophobicContact CE2-CG 4.46Å; F22-P1990 HydrophobicContact CZ-CG 4.04Å; K1983-P1990 HydrophobicContact CB-CG 4.06Å; K1983-P1990 VanDerWaalsContact CB-O 3.26Å; K1983-P1990 WeakPolarHBondContact CB-O 2.62Å; K1983-P1990 HydrophobicContact CD-CG 4.25Å; K1983-P1990 HydrophobicContact CG-CG 4.45Å; K1983-P1990 WeakPolarHBondContact CG-O 3.47Å; K1983-P1990 PolarHBondContact N-O 3.26Å; K1986-P1990 HydrophobicContact CB-CG 4.48Å; P1987-P1990 WeakPolarHBondContact O-CD 2.96Å |
| 1991 | L | 91.1 | Very high | 84.4 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 145 | 175.5 | -55.4 | 179.5 | 0 | 0 | 0 | 109 | Y1916 K1919 M1920 I1923 L1981 P1982 | Y1916-L1991 HydrophobicContact CD2-CD1 3.88Å; Y1916-L1991 HydrophobicContact CE2-CD1 4.05Å; K1919-L1991 HydrophobicContact CB-CD1 3.5Å; K1919-L1991 HydrophobicContact CB-CG 3.92Å; K1919-L1991 HydrophobicContact CD-CG 4.36Å; M1920-L1991 HydrophobicContact CG-CD1 3.58Å; M1920-L1991 HydrophobicContact SD-CB 4.05Å; M1920-L1991 HydrophobicContact SD-CD1 3.51Å; M1920-L1991 VanDerWaalsContact SD-CD1 3.51Å; M1920-L1991 HydrophobicContact SD-CG 4.41Å; I1923-L1991 HydrophobicContact CD1-CB 4.16Å; L1981-L1991 CarbonylContact O-C 3.46Å; L1981-L1991 WeakPolarHBondContact O-CA 3.42Å; P1982-L1991 HydrophobicContact CB-CD2 4.27Å; P1982-L1991 HydrophobicContact CG-CD2 3.9Å |
| 1992 | R | 90.7 | Very high | 84.3 | Confident | 63 Ų | 63 | 39.3 Ų | 39.3 | 24% | 0.238 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 122.8 | 154.3 | -159.6 | 178.6 | -57.2 | -120.5 | 4.3 | 106.8 | D1903 G1980 L1981 K1983 I1994 M2112 | D1903-R1992 WeakPolarHBondContact OD1-CB 3.4Å; D1903-R1992 IonicContact OD1-CZ 2.85Å; D1903-R1992 IonicContact OD1-NE 2.72Å; D1903-R1992 PolarHBondContact OD1-NE 2.83Å; D1903-R1992 IonicContact OD1-NH2 2.67Å; D1903-R1992 PolarHBondContact OD1-NH2 2.66Å; D1903-R1992 IonicContact OD2-CZ 3.32Å; D1903-R1992 IonicContact OD2-NE 3.88Å; D1903-R1992 IonicContact OD2-NH2 3.71Å; D1903-R1992 PolarHBondContact OD2-NH2 2.82Å; G1980-R1992 WeakPolarHBondContact CA-O 3.31Å; L1981-R1992 HydrophobicContact CB-CB 4.4Å; L1981-R1992 PolarHBondContact N-O 2.8Å; L1981-R1992 PolarHBondContact O-N 3.36Å; K1983-R1992 VanDerWaalsContact CE-CB 3.45Å; R1992-I1994 HydrophobicContact CG-CD1 4.17Å; R1992-I1994 PolarHBondContact O-N 3.12Å; R1992-M2112 HydrophobicContact CG-CE 4.18Å; R1992-M2112 HydrophobicContact CG-SD 4.34Å |
| 1993 | P | 90.9 | Very high | 84.3 | Confident | 23 Ų | 23 | 40.9 Ų | 40.9 | 15% | 0.149 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 129 | 168.3 | 29.4 | -32.8 | 0 | 0 | 0 | 108.2 | I1923 L1978 M2112 | I1923-P1993 HydrophobicContact CG2-CB 4.25Å; I1923-P1993 HydrophobicContact CG2-CG 4.1Å; L1978-P1993 HydrophobicContact CD1-CB 4.12Å; L1978-P1993 HydrophobicContact CD2-CB 4.47Å; P1993-M2112 HydrophobicContact CG-SD 4.31Å; P1993-M2112 WeakPolarHBondContact O-CB 3.24Å |
| 1994 | I | 90.3 | Very high | 84.4 | Confident | 34 Ų | 34 | 42.6 Ų | 42.6 | 17% | 0.174 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 122.2 | 175.3 | -59.9 | -66.4 | 0 | 0 | 0 | 108.5 | Y1979 L1981 R1992 M2112 | Y1979-I1994 HydrophobicContact CD1-CB 4.34Å; Y1979-I1994 HydrophobicContact CD1-CG2 4.45Å; Y1979-I1994 WeakPolarHBondContact CD1-O 2.46Å; Y1979-I1994 HydrophobicContact CE1-CB 3.9Å; Y1979-I1994 HydrophobicContact CE1-CG2 3.59Å; Y1979-I1994 HydrophobicContact CE2-CB 4.31Å; Y1979-I1994 HydrophobicContact CE2-CG2 4.45Å; Y1979-I1994 PolarHBondContact N-O 2.9Å; Y1979-I1994 PolarHBondContact O-N 2.93Å; Y1979-I1994 WeakPolarHBondContact OH-CG2 3.34Å; L1981-I1994 HydrophobicContact CD1-CD1 4.36Å; L1981-I1994 HydrophobicContact CD1-CG1 3.78Å; L1981-I1994 HydrophobicContact CG-CG1 3.95Å; R1992-I1994 HydrophobicContact CG-CD1 4.17Å; R1992-I1994 PolarHBondContact O-N 3.12Å; I1994-M2112 WeakPolarHBondContact CA-O 2.97Å |
| 1995 | L | 91.4 | Very high | 85.1 | Confident | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 109.9 | -179.6 | -168.3 | 60.9 | 0 | 0 | 0 | 110.9 | P1976 L1978 M1997 V2095 F2097 A2111 M2112 | P1976-L1995 HydrophobicContact CB-CD1 3.66Å; P1976-L1995 HydrophobicContact CB-CD2 4.17Å; P1976-L1995 HydrophobicContact CB-CG 3.75Å; L1978-L1995 HydrophobicContact CB-CD1 4.1Å; L1978-L1995 HydrophobicContact CD1-CB 4.07Å; L1978-L1995 HydrophobicContact CD1-CD1 3.91Å; L1995-M1997 VanDerWaalsContact C-N 3.35Å; L1995-M1997 HydrophobicContact CD2-CE 3.92Å; L1995-M1997 HydrophobicContact CD2-CG 4.24Å; L1995-M1997 HydrophobicContact CG-CG 4.25Å; L1995-M1997 PolarHBondContact O-N 3.26Å; L1995-V2095 HydrophobicContact CD2-CG1 3.86Å; L1995-F2097 HydrophobicContact CD1-CB 3.55Å; L1995-F2097 HydrophobicContact CD1-CD1 4.23Å; L1995-F2097 HydrophobicContact CD1-CD2 4.08Å; L1995-F2097 HydrophobicContact CD1-CG 3.72Å; L1995-A2111 HydrophobicContact CD2-CB 3.8Å; L1995-M2112 PolarHBondContact N-O 3.14Å |
| 1996 | S | 87.7 | Confident | 86 | Confident | 48 Ų | 48 | 38.1 Ų | 38.1 | 34% | 0.336 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 81.8 | 175.2 | -176.8 | 0 | 0 | 0 | 0 | 111 | P1976 N1977 R1998 | P1976-S1996 VanDerWaalsContact CA-O 3.29Å; P1976-S1996 WeakPolarHBondContact CA-O 3.17Å; N1977-S1996 PolarHBondContact N-O 2.83Å; N1977-S1996 WeakPolarHBondContact O-CB 3.41Å; N1977-S1996 PolarHBondContact O-N 3.07Å; S1996-R1998 PolarHBondContact O-N 2.67Å; S1996-R1998 VanDerWaalsContact O-N 3.15Å |
| 1997 | M | 86.2 | Confident | 86.8 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | trans | -67.3 | -2 | 172.3 | -71.6 | -166.4 | 164.5 | 0 | 0 | 114.7 | P1976 L1995 G1999 S2000 H2003 V2095 | P1976-M1997 HydrophobicContact CB-CG 4.07Å; P1976-M1997 HydrophobicContact CG-CG 4.01Å; L1995-M1997 VanDerWaalsContact C-N 3.35Å; L1995-M1997 HydrophobicContact CD2-CE 3.92Å; L1995-M1997 HydrophobicContact CD2-CG 4.24Å; L1995-M1997 HydrophobicContact CG-CG 4.25Å; L1995-M1997 PolarHBondContact O-N 3.26Å; M1997-G1999 PolarHBondContact O-N 3.34Å; M1997-S2000 WeakPolarHBondContact O-CB 3.3Å; M1997-S2000 PolarHBondContact O-N 3.13Å; M1997-S2000 PolarHBondContact O-OG 3.44Å; M1997-S2000 VanDerWaalsContact O-OG 3.11Å; M1997-H2003 HydrophobicContact CB-CB 4.4Å; M1997-H2003 WeakPolarHBondContact CB-CE1 3.1Å; M1997-H2003 VanDerWaalsContact O-CB 3.24Å; M1997-H2003 WeakPolarHBondContact O-CB 3.42Å; M1997-H2003 VanDerWaalsContact O-CG 3.24Å; M1997-V2095 HydrophobicContact CE-CG1 3.67Å; M1997-V2095 HydrophobicContact CE-CG2 4.36Å | ||
| 1998 | R | 77.9 | Confident | 87.7 | Confident | 216 Ų | 216 | 35.3 Ų | 35.3 | 82% | 0.815 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 110.2 | -178 | -179.4 | -179.1 | -69.1 | -162.2 | -2.3 | 110.7 | S1996 | S1996-R1998 PolarHBondContact O-N 2.67Å; S1996-R1998 VanDerWaalsContact O-N 3.15Å |
| 1999 | G | 77.6 | Confident | 88.4 | Confident | 40 Ų | 40 | 34 Ų | 34 | 41% | 0.412 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 103.2 | 3.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S1973 V1974 M1997 | S1973-G1999 CarbonylContact C-O 3.55Å; S1973-G1999 VanDerWaalsContact CA-O 3.26Å; S1973-G1999 WeakPolarHBondContact CA-O 3.42Å; S1973-G1999 WeakPolarHBondContact CB-O 3.31Å; V1974-G1999 PolarHBondContact N-O 3.39Å; M1997-G1999 PolarHBondContact O-N 3.34Å |
| 2000 | S | 87.4 | Confident | 88.8 | Confident | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.063 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -88.7 | 157.7 | 177.4 | 80 | 0 | 0 | 0 | 0 | 113.7 | V1974 M1997 T2002 H2003 | V1974-S2000 WeakPolarHBondContact O-CA 3.19Å; V1974-S2000 WeakPolarHBondContact O-CB 3.17Å; M1997-S2000 WeakPolarHBondContact O-CB 3.3Å; M1997-S2000 PolarHBondContact O-N 3.13Å; M1997-S2000 PolarHBondContact O-OG 3.44Å; M1997-S2000 VanDerWaalsContact O-OG 3.11Å; S2000-T2002 PolarHBondContact O-N 3.23Å; S2000-T2002 VanDerWaalsContact O-N 3.09Å; S2000-H2003 WeakPolarHBondContact O-CB 3.44Å; S2000-H2003 PolarHBondContact O-N 3.2Å; S2000-H2003 VanDerWaalsContact O-N 3.13Å |
| 2001 | P | 86.3 | Confident | 88.8 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -29.5 | -172.6 | -27.5 | 35.6 | 0 | 0 | 0 | 115.3 | V1940 L1943 E1944 V1947 P1970 | V1940-P2001 HydrophobicContact CG1-CG 3.8Å; L1943-P2001 HydrophobicContact CB-CG 4.43Å; L1943-P2001 HydrophobicContact CD2-CB 4.17Å; L1943-P2001 HydrophobicContact CD2-CG 4.02Å; L1943-P2001 HydrophobicContact CG-CB 3.98Å; L1943-P2001 HydrophobicContact CG-CG 4.16Å; E1944-P2001 HydrophobicContact CG-CB 3.95Å; E1944-P2001 HydrophobicContact CG-CG 3.81Å; V1947-P2001 HydrophobicContact CG2-CB 4.42Å; P1970-P2001 HydrophobicContact CB-CB 4.28Å; P1970-P2001 HydrophobicContact CG-CB 4.28Å |
| 2002 | T | 90.7 | Very high | 88.7 | Confident | 11 Ų | 11 | 35.5 Ų | 35.5 | 7% | 0.067 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -6.8 | -175.5 | 51.5 | 0 | 0 | 0 | 0 | 113.6 | L1943 V1947 S2000 E2004 L2005 A2006 | L1943-T2002 HydrophobicContact CD1-CG2 4.43Å; V1947-T2002 HydrophobicContact CG2-CG2 3.98Å; S2000-T2002 PolarHBondContact O-N 3.23Å; S2000-T2002 VanDerWaalsContact O-N 3.09Å; T2002-E2004 PolarHBondContact O-N 2.97Å; T2002-L2005 PolarHBondContact O-N 2.77Å; T2002-A2006 VanDerWaalsContact O-CB 3.3Å; T2002-A2006 WeakPolarHBondContact O-CB 3.49Å; T2002-A2006 PolarHBondContact O-N 3.07Å |
| 2003 | H | 89.5 | Confident | 88.9 | Confident | 33 Ų | 33 | 32.7 Ų | 32.7 | 15% | 0.153 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64 | -46 | -166.8 | -175.2 | 54.9 | 0 | 0 | 0 | 114.2 | M1997 S2000 K2007 P2115 | M1997-H2003 HydrophobicContact CB-CB 4.4Å; M1997-H2003 WeakPolarHBondContact CB-CE1 3.1Å; M1997-H2003 VanDerWaalsContact O-CB 3.24Å; M1997-H2003 WeakPolarHBondContact O-CB 3.42Å; M1997-H2003 VanDerWaalsContact O-CG 3.24Å; S2000-H2003 WeakPolarHBondContact O-CB 3.44Å; S2000-H2003 PolarHBondContact O-N 3.2Å; S2000-H2003 VanDerWaalsContact O-N 3.13Å; H2003-K2007 PolarHBondContact O-N 2.76Å; H2003-P2115 VanDerWaalsContact CE1-CG 3.4Å; H2003-P2115 WeakPolarHBondContact CE1-CG 3.02Å |
| 2004 | E | 88.7 | Confident | 88.6 | Confident | 73 Ų | 73 | 33.7 Ų | 33.7 | 34% | 0.341 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -77 | -35.4 | -179.8 | -56.8 | -54.6 | 142.6 | 0 | 0 | 111.7 | L1968 T2002 A2006 K2007 W2008 | L1968-E2004 HydrophobicContact CD2-CB 4.11Å; L1968-E2004 WeakPolarHBondContact CD2-O 3.15Å; T2002-E2004 PolarHBondContact O-N 2.97Å; E2004-A2006 PolarHBondContact O-N 3.11Å; E2004-K2007 PolarHBondContact O-N 2.9Å; E2004-K2007 IonicContact OE1-NZ 2.76Å; E2004-K2007 PolarHBondContact OE1-NZ 2.83Å; E2004-K2007 WeakPolarHBondContact OE2-CD 3.48Å; E2004-K2007 WeakPolarHBondContact OE2-CE 3.2Å; E2004-K2007 IonicContact OE2-NZ 3.64Å; E2004-K2007 PolarHBondContact OE2-NZ 3.07Å; E2004-W2008 WeakPolarHBondContact O-CB 2.96Å; E2004-W2008 PolarHBondContact O-N 3.49Å |
| 2005 | L | 91.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.7 | -45 | 171.5 | 177.4 | 60.3 | 0 | 0 | 0 | 111.6 | V1947 L1951 T2002 K2007 W2008 L2009 L2087 | V1947-L2005 HydrophobicContact CG1-CD2 4.24Å; L1951-L2005 HydrophobicContact CD2-CD1 4.2Å; T2002-L2005 PolarHBondContact O-N 2.77Å; L2005-K2007 PolarHBondContact O-N 2.8Å; L2005-W2008 HydrophobicContact CD1-CE3 4Å; L2005-W2008 HydrophobicContact CD1-CZ3 4.41Å; L2005-W2008 PolarHBondContact O-N 2.85Å; L2005-L2009 HydrophobicContact CD1-CD1 4.4Å; L2005-L2009 HydrophobicContact CD1-CG 4.37Å; L2005-L2009 HydrophobicContact CG-CD1 4.25Å; L2005-L2009 WeakPolarHBondContact O-CG 3.47Å; L2005-L2009 PolarHBondContact O-N 3.21Å; L2005-L2087 HydrophobicContact CD2-CD2 4.48Å |
| 2006 | A | 91.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.3 | -39.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T2002 E2004 L2009 V2010 C2091 P2115 L2116 | T2002-A2006 VanDerWaalsContact O-CB 3.3Å; T2002-A2006 WeakPolarHBondContact O-CB 3.49Å; T2002-A2006 PolarHBondContact O-N 3.07Å; E2004-A2006 PolarHBondContact O-N 3.11Å; A2006-L2009 PolarHBondContact O-N 2.9Å; A2006-V2010 WeakPolarHBondContact O-CG2 3.48Å; A2006-V2010 PolarHBondContact O-N 3.31Å; A2006-V2010 VanDerWaalsContact O-N 3.09Å; A2006-C2091 HydrophobicContact CB-CB 4.32Å; A2006-P2115 HydrophobicContact CB-CB 4.02Å; A2006-P2115 HydrophobicContact CB-CG 3.88Å; A2006-L2116 HydrophobicContact CB-CD1 4.06Å; A2006-L2116 HydrophobicContact CB-CG 4.29Å |
| 2007 | K | 89 | Confident | 88.1 | Confident | 55 Ų | 55 | 37 Ų | 37 | 24% | 0.239 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.4 | -45.7 | 171 | -68.1 | 177 | -154.7 | 162 | 0 | 111.9 | D1245 H2003 E2004 L2005 L2009 V2010 K2011 P2115 | D1245-K2007 WeakPolarHBondContact OD1-CB 3.31Å; H2003-K2007 PolarHBondContact O-N 2.76Å; E2004-K2007 PolarHBondContact O-N 2.9Å; E2004-K2007 IonicContact OE1-NZ 2.76Å; E2004-K2007 PolarHBondContact OE1-NZ 2.83Å; E2004-K2007 WeakPolarHBondContact OE2-CD 3.48Å; E2004-K2007 WeakPolarHBondContact OE2-CE 3.2Å; E2004-K2007 IonicContact OE2-NZ 3.64Å; E2004-K2007 PolarHBondContact OE2-NZ 3.07Å; L2005-K2007 PolarHBondContact O-N 2.8Å; K2007-L2009 VanDerWaalsContact C-N 3.28Å; K2007-L2009 PolarHBondContact O-N 2.82Å; K2007-V2010 WeakPolarHBondContact O-CB 3.3Å; K2007-V2010 PolarHBondContact O-N 3.45Å; K2007-V2010 VanDerWaalsContact O-N 3.16Å; K2007-K2011 WeakPolarHBondContact O-CB 3.14Å; K2007-K2011 PolarHBondContact O-N 2.87Å; K2007-P2115 HydrophobicContact CG-CB 4.2Å; K2007-P2115 HydrophobicContact CG-CG 4.07Å |
| 2008 | W | 93.6 | Very high | 87.5 | Confident | 18 Ų | 18 | 40.5 Ų | 40.5 | 7% | 0.068 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -33 | -179.4 | 178.9 | 90.9 | 0 | 0 | 0 | 112.5 | L1954 V1959 I1960 L1968 E2004 L2005 K2011 L2012 I2079 | L1954-W2008 HydrophobicContact CD1-CH2 4.07Å; L1954-W2008 HydrophobicContact CD1-CZ3 3.95Å; L1954-W2008 HydrophobicContact CD2-CH2 4.25Å; V1959-W2008 HydrophobicContact CG1-CH2 3.86Å; V1959-W2008 HydrophobicContact CG1-CZ2 4.1Å; I1960-W2008 HydrophobicContact CG2-CH2 3.8Å; I1960-W2008 HydrophobicContact CG2-CZ2 3.17Å; L1968-W2008 HydrophobicContact CD1-CB 4.29Å; L1968-W2008 HydrophobicContact CD1-CD2 3.98Å; L1968-W2008 HydrophobicContact CD1-CG 3.81Å; L1968-W2008 HydrophobicContact CD2-CB 3.61Å; L1968-W2008 HydrophobicContact CD2-CG 4Å; E2004-W2008 WeakPolarHBondContact O-CB 2.96Å; E2004-W2008 PolarHBondContact O-N 3.49Å; L2005-W2008 HydrophobicContact CD1-CE3 4Å; L2005-W2008 HydrophobicContact CD1-CZ3 4.41Å; L2005-W2008 PolarHBondContact O-N 2.85Å; W2008-K2011 WeakPolarHBondContact O-CB 3.49Å; W2008-L2012 HydrophobicContact CD2-CD1 4.31Å; W2008-L2012 HydrophobicContact CE3-CD1 4.15Å; W2008-L2012 HydrophobicContact CH2-CD1 3.51Å; W2008-L2012 HydrophobicContact CZ2-CD1 3.66Å; W2008-L2012 HydrophobicContact CZ3-CD1 3.77Å; W2008-L2012 PolarHBondContact O-N 3.37Å; W2008-I2079 HydrophobicContact CH2-CD1 4.03Å; W2008-I2079 HydrophobicContact CZ3-CD1 4.17Å |
| 2009 | L | 93 | Very high | 87.7 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.1 | -43.9 | 170 | -68.8 | 169.4 | 0 | 0 | 0 | 112.4 | L2005 A2006 K2007 K2011 L2012 L2013 L2084 L2087 L2116 | L2005-L2009 HydrophobicContact CD1-CD1 4.4Å; L2005-L2009 HydrophobicContact CD1-CG 4.37Å; L2005-L2009 HydrophobicContact CG-CD1 4.25Å; L2005-L2009 WeakPolarHBondContact O-CG 3.47Å; L2005-L2009 PolarHBondContact O-N 3.21Å; A2006-L2009 PolarHBondContact O-N 2.9Å; K2007-L2009 VanDerWaalsContact C-N 3.28Å; K2007-L2009 PolarHBondContact O-N 2.82Å; L2009-K2011 VanDerWaalsContact C-N 3.26Å; L2009-K2011 PolarHBondContact O-N 2.9Å; L2009-L2012 PolarHBondContact O-N 2.89Å; L2009-L2013 WeakPolarHBondContact O-CG 3.26Å; L2009-L2013 PolarHBondContact O-N 3.24Å; L2009-L2013 VanDerWaalsContact O-N 3.1Å; L2009-L2084 HydrophobicContact CD2-CD1 4.47Å; L2009-L2087 HydrophobicContact CD1-CB 4.2Å; L2009-L2087 HydrophobicContact CD2-CB 4.3Å; L2009-L2116 HydrophobicContact CB-CD1 4.35Å; L2009-L2116 HydrophobicContact CB-CD2 4.1Å; L2009-L2116 HydrophobicContact CD1-CD1 4.06Å |
| 2010 | V | 92.5 | Very high | 88.3 | Confident | 13 Ų | 13 | 32.8 Ų | 32.8 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.4 | -41.3 | 174.2 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | A2006 K2007 L2012 L2013 N2014 P2115 L2116 | A2006-V2010 WeakPolarHBondContact O-CG2 3.48Å; A2006-V2010 PolarHBondContact O-N 3.31Å; A2006-V2010 VanDerWaalsContact O-N 3.09Å; K2007-V2010 WeakPolarHBondContact O-CB 3.3Å; K2007-V2010 PolarHBondContact O-N 3.45Å; K2007-V2010 VanDerWaalsContact O-N 3.16Å; V2010-L2012 VanDerWaalsContact C-N 3.33Å; V2010-L2012 PolarHBondContact O-N 2.95Å; V2010-L2013 PolarHBondContact O-N 2.93Å; V2010-N2014 WeakPolarHBondContact CG1-ND2 3.4Å; V2010-N2014 VanDerWaalsContact O-CG 3.3Å; V2010-N2014 PolarHBondContact O-N 3.16Å; V2010-N2014 PolarHBondContact O-ND2 3.16Å; V2010-N2014 VanDerWaalsContact O-ND2 3.16Å; V2010-P2115 HydrophobicContact CG2-CB 4.29Å; V2010-P2115 WeakPolarHBondContact CG2-O 3.45Å; V2010-L2116 HydrophobicContact CG2-CD2 3.65Å; V2010-L2116 HydrophobicContact CG2-CG 3.94Å |
| 2011 | K | 87.8 | Confident | 88.3 | Confident | 47 Ų | 47 | 32.8 Ų | 32.8 | 20% | 0.204 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.1 | -42.1 | 176 | -165.7 | 172.3 | -171.8 | 167.6 | 0 | 113.3 | D1245 G1246 N1247 K2007 W2008 L2009 | D1245-K2011 HydrophobicContact CB-CB 3.56Å; D1245-K2011 HydrophobicContact CB-CD 3.69Å; D1245-K2011 HydrophobicContact CB-CG 3.66Å; D1245-K2011 WeakPolarHBondContact O-CE 3.23Å; D1245-K2011 PolarHBondContact O-NZ 3.46Å; G1246-K2011 PolarHBondContact O-NZ 3.44Å; N1247-K2011 VanDerWaalsContact CB-CE 3.45Å; N1247-K2011 VanDerWaalsContact CG-NZ 3.28Å; N1247-K2011 WeakPolarHBondContact ND2-CE 3.32Å; N1247-K2011 WeakPolarHBondContact OD1-CE 3.41Å; N1247-K2011 PolarHBondContact OD1-NZ 3.49Å; K2007-K2011 WeakPolarHBondContact O-CB 3.14Å; K2007-K2011 PolarHBondContact O-N 2.87Å; W2008-K2011 WeakPolarHBondContact O-CB 3.49Å; L2009-K2011 VanDerWaalsContact C-N 3.26Å; L2009-K2011 PolarHBondContact O-N 2.9Å |
| 2012 | L | 89.4 | Confident | 88.2 | Confident | 49 Ų | 49 | 39.6 Ų | 39.6 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -75.6 | -31 | 178.7 | -69.2 | 177.1 | 0 | 0 | 0 | 113 | W2008 L2009 V2010 P2015 F2077 I2079 | W2008-L2012 HydrophobicContact CD2-CD1 4.31Å; W2008-L2012 HydrophobicContact CE3-CD1 4.15Å; W2008-L2012 HydrophobicContact CH2-CD1 3.51Å; W2008-L2012 HydrophobicContact CZ2-CD1 3.66Å; W2008-L2012 HydrophobicContact CZ3-CD1 3.77Å; W2008-L2012 PolarHBondContact O-N 3.37Å; L2009-L2012 PolarHBondContact O-N 2.89Å; V2010-L2012 VanDerWaalsContact C-N 3.33Å; V2010-L2012 PolarHBondContact O-N 2.95Å; L2012-P2015 WeakPolarHBondContact O-CD 3.38Å; L2012-F2077 HydrophobicContact CB-CZ 4.26Å; L2012-I2079 HydrophobicContact CD1-CD1 4.04Å |
| 2013 | L | 93 | Very high | 88.2 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -92 | -20.8 | -173.7 | -65.9 | 170.6 | 0 | 0 | 0 | 114.2 | L2009 V2010 P2015 I2016 R2017 L2066 I2070 F2077 L2088 L2119 | L2009-L2013 WeakPolarHBondContact O-CG 3.26Å; L2009-L2013 PolarHBondContact O-N 3.24Å; L2009-L2013 VanDerWaalsContact O-N 3.1Å; V2010-L2013 PolarHBondContact O-N 2.93Å; L2013-P2015 VanDerWaalsContact C-CD 3.47Å; L2013-I2016 HydrophobicContact CD2-CD1 4.1Å; L2013-I2016 WeakPolarHBondContact O-CB 3.43Å; L2013-I2016 PolarHBondContact O-N 2.81Å; L2013-R2017 PolarHBondContact O-N 2.66Å; L2013-L2066 HydrophobicContact CD1-CD2 4.31Å; L2013-I2070 HydrophobicContact CD2-CD1 3.65Å; L2013-F2077 HydrophobicContact CD2-CE2 4.39Å; L2013-F2077 HydrophobicContact CD2-CZ 3.98Å; L2013-L2088 HydrophobicContact CD1-CD2 3.96Å; L2013-L2119 HydrophobicContact CB-CD1 3.75Å; L2013-L2119 HydrophobicContact CB-CD2 4.4Å; L2013-L2119 HydrophobicContact CD1-CD2 4.25Å |
| 2014 | N | 86.2 | Confident | 88.2 | Confident | 44 Ų | 44 | 40.8 Ų | 40.8 | 24% | 0.235 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.2 | -37.7 | 178.1 | -85.9 | -39.3 | 0 | 0 | 0 | 115.1 | V2010 I2016 R2017 A2018 | V2010-N2014 WeakPolarHBondContact CG1-ND2 3.4Å; V2010-N2014 VanDerWaalsContact O-CG 3.3Å; V2010-N2014 PolarHBondContact O-N 3.16Å; V2010-N2014 PolarHBondContact O-ND2 3.16Å; V2010-N2014 VanDerWaalsContact O-ND2 3.16Å; N2014-I2016 VanDerWaalsContact C-N 3.34Å; N2014-I2016 PolarHBondContact O-N 2.9Å; N2014-R2017 PolarHBondContact OD1-NH1 2.8Å; N2014-A2018 PolarHBondContact O-N 3.48Å |
| 2015 | P | 83.7 | Confident | 88.1 | Confident | 85 Ų | 85 | 37.4 Ų | 37.4 | 55% | 0.552 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -63.4 | -35.6 | 173.8 | -24.2 | 35.5 | 0 | 0 | 0 | 113.7 | L2012 L2013 | L2012-P2015 WeakPolarHBondContact O-CD 3.38Å; L2013-P2015 VanDerWaalsContact C-CD 3.47Å |
| 2016 | I | 87.9 | Confident | 87.4 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -74 | -42.9 | 178.9 | -66.8 | 149.3 | 0 | 0 | 0 | 110.3 | L2013 N2014 A2018 N2019 L2020 Y2069 I2070 F2074 F2077 | L2013-I2016 HydrophobicContact CD2-CD1 4.1Å; L2013-I2016 WeakPolarHBondContact O-CB 3.43Å; L2013-I2016 PolarHBondContact O-N 2.81Å; N2014-I2016 VanDerWaalsContact C-N 3.34Å; N2014-I2016 PolarHBondContact O-N 2.9Å; I2016-A2018 PolarHBondContact O-N 3.07Å; I2016-N2019 PolarHBondContact O-N 3.32Å; I2016-L2020 PolarHBondContact O-N 2.65Å; I2016-Y2069 HydrophobicContact CG2-CD1 4.04Å; I2016-Y2069 HydrophobicContact CG2-CE1 3.96Å; I2016-I2070 HydrophobicContact CD1-CD1 3.96Å; I2016-I2070 HydrophobicContact CD1-CG1 3.95Å; I2016-I2070 HydrophobicContact CG2-CG1 4.04Å; I2016-F2074 HydrophobicContact CB-CE2 4.33Å; I2016-F2074 HydrophobicContact CB-CZ 4.42Å; I2016-F2074 HydrophobicContact CG1-CD1 4.19Å; I2016-F2074 HydrophobicContact CG1-CD2 4.05Å; I2016-F2074 HydrophobicContact CG1-CE1 4.09Å; I2016-F2074 HydrophobicContact CG1-CE2 3.97Å; I2016-F2074 HydrophobicContact CG1-CG 4.16Å; I2016-F2074 HydrophobicContact CG1-CZ 3.97Å; I2016-F2074 HydrophobicContact CG2-CD2 4.31Å; I2016-F2074 HydrophobicContact CG2-CE2 3.92Å; I2016-F2074 HydrophobicContact CG2-CZ 4.46Å; I2016-F2077 HydrophobicContact CD1-CD2 3.67Å; I2016-F2077 HydrophobicContact CD1-CE2 3.47Å; I2016-F2077 VanDerWaalsContact CD1-CE2 3.47Å; I2016-F2077 HydrophobicContact CD1-CZ 4.39Å |
| 2017 | R | 86.2 | Confident | 86.4 | Confident | 68 Ų | 68 | 45.7 Ų | 45.7 | 26% | 0.257 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -50.8 | -39.1 | 175.6 | 177.8 | -177.5 | 168 | -155.3 | -0.2 | 112.4 | L2013 N2014 N2019 L2020 C2021 E2122 | L2013-R2017 PolarHBondContact O-N 2.66Å; N2014-R2017 PolarHBondContact OD1-NH1 2.8Å; R2017-N2019 VanDerWaalsContact C-N 3.28Å; R2017-N2019 PolarHBondContact O-N 2.81Å; R2017-L2020 PolarHBondContact O-N 2.81Å; R2017-C2021 HydrophobicContact CG-CB 4.38Å; R2017-C2021 VanDerWaalsContact O-CB 3.3Å; R2017-C2021 WeakPolarHBondContact O-CB 3.33Å; R2017-C2021 PolarHBondContact O-N 2.98Å; R2017-E2122 IonicContact CZ-OE1 3.42Å; R2017-E2122 IonicContact CZ-OE2 3.21Å; R2017-E2122 IonicContact NE-OE1 2.85Å; R2017-E2122 IonicContact NE-OE2 2.93Å; R2017-E2122 PolarHBondContact NE-OE2 3.01Å; R2017-E2122 IonicContact NH2-OE1 3.93Å; R2017-E2122 PolarHBondContact NH2-OE1 2.9Å; R2017-E2122 IonicContact NH2-OE2 2.66Å; R2017-E2122 PolarHBondContact NH2-OE2 3.04Å; R2017-E2122 VanDerWaalsContact NH2-OE2 3.08Å |
| 2018 | A | 74.9 | Confident | 85.7 | Confident | 75 Ų | 75 | 43.3 Ų | 43.3 | 62% | 0.62 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -64.3 | -27.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N2014 I2016 | N2014-A2018 PolarHBondContact O-N 3.48Å; I2016-A2018 PolarHBondContact O-N 3.07Å |
| 2019 | N | 81.5 | Confident | 84.9 | Confident | 88 Ų | 88 | 43 Ų | 43 | 47% | 0.471 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -93 | -30.4 | 178.5 | -71.1 | -0.4 | 0 | 0 | 0 | 112.7 | I2016 R2017 K2022 F2074 | I2016-N2019 PolarHBondContact O-N 3.32Å; R2017-N2019 VanDerWaalsContact C-N 3.28Å; R2017-N2019 PolarHBondContact O-N 2.81Å; N2019-K2022 WeakPolarHBondContact O-CE 3.23Å; N2019-K2022 WeakPolarHBondContact O-CG 3.31Å; N2019-F2074 HydrophobicContact CB-CZ 4.45Å |
| 2020 | L | 89.1 | Confident | 84.3 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -78.8 | -50.7 | 179.2 | -179.6 | 53.6 | 0 | 0 | 0 | 112.3 | I2016 R2017 K2022 F2065 L2066 Y2069 V2123 | I2016-L2020 PolarHBondContact O-N 2.65Å; R2017-L2020 PolarHBondContact O-N 2.81Å; L2020-K2022 VanDerWaalsContact C-N 3.27Å; L2020-K2022 PolarHBondContact O-N 2.95Å; L2020-F2065 HydrophobicContact CD1-CE1 4.06Å; L2020-F2065 HydrophobicContact CD1-CZ 3.99Å; L2020-F2065 HydrophobicContact CD2-CE1 4.25Å; L2020-L2066 HydrophobicContact CD2-CD1 4.1Å; L2020-Y2069 HydrophobicContact CB-CD1 4.21Å; L2020-Y2069 HydrophobicContact CB-CE1 3.71Å; L2020-Y2069 HydrophobicContact CD1-CD1 4.08Å; L2020-Y2069 HydrophobicContact CD1-CD2 3.9Å; L2020-Y2069 HydrophobicContact CD1-CE1 4.07Å; L2020-Y2069 HydrophobicContact CD1-CE2 3.91Å; L2020-Y2069 HydrophobicContact CD1-CG 4Å; L2020-Y2069 HydrophobicContact CD2-CD1 3.9Å; L2020-Y2069 HydrophobicContact CD2-CE1 4.27Å; L2020-Y2069 HydrophobicContact CD2-CG 4.29Å; L2020-Y2069 HydrophobicContact CG-CD1 4.3Å; L2020-Y2069 HydrophobicContact CG-CE1 4.22Å; L2020-V2123 HydrophobicContact CD2-CG1 4.25Å; L2020-V2123 HydrophobicContact CD2-CG2 4.13Å |
| 2021 | C | 88.8 | Confident | 83.7 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 5% | 0.054 | 23% | 0.231 | C | C | . | . | trans | -87.9 | 51.7 | -167.7 | -54.6 | 0 | 0 | 0 | 0 | 112.3 | R2017 F2023 S2024 S2126 | R2017-C2021 HydrophobicContact CG-CB 4.38Å; R2017-C2021 VanDerWaalsContact O-CB 3.3Å; R2017-C2021 WeakPolarHBondContact O-CB 3.33Å; R2017-C2021 PolarHBondContact O-N 2.98Å; C2021-F2023 VanDerWaalsContact C-N 3.28Å; C2021-F2023 PolarHBondContact O-N 3.27Å; C2021-F2023 VanDerWaalsContact O-N 3.13Å; C2021-S2024 WeakPolarHBondContact O-CB 3.39Å; C2021-S2024 PolarHBondContact O-N 2.99Å; C2021-S2126 WeakPolarHBondContact CA-OG 3.11Å; C2021-S2126 PolarHBondContact SG-OG 2.9Å | ||
| 2022 | K | 84.1 | Confident | 83.1 | Confident | 148 Ų | 148 | 43 Ų | 43 | 64% | 0.643 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.9 | -165 | -62.7 | 174.4 | -174.2 | 168.5 | 0 | 115.5 | N2019 L2020 | N2019-K2022 WeakPolarHBondContact O-CE 3.23Å; N2019-K2022 WeakPolarHBondContact O-CG 3.31Å; L2020-K2022 VanDerWaalsContact C-N 3.27Å; L2020-K2022 PolarHBondContact O-N 2.95Å |
| 2023 | F | 91.1 | Very high | 82.5 | Confident | 50 Ų | 50 | 45.1 Ų | 45.1 | 22% | 0.219 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -5.4 | 179 | -57.6 | -70.1 | 0 | 0 | 0 | 113.8 | C2021 E2129 I2136 Y2142 R2144 | C2021-F2023 VanDerWaalsContact C-N 3.28Å; C2021-F2023 PolarHBondContact O-N 3.27Å; C2021-F2023 VanDerWaalsContact O-N 3.13Å; F2023-E2129 HydrophobicContact CD2-CB 3.94Å; F2023-E2129 HydrophobicContact CD2-CG 4.17Å; F2023-E2129 HydrophobicContact CE2-CB 4.21Å; F2023-I2136 HydrophobicContact CE1-CG2 3.83Å; F2023-I2136 HydrophobicContact CE2-CG2 4.23Å; F2023-I2136 HydrophobicContact CZ-CG2 3.63Å; F2023-Y2142 HydrophobicContact CB-CD1 3.91Å; F2023-Y2142 HydrophobicContact CB-CE1 3.87Å; F2023-Y2142 AromaticContact CD1-CD1 3.73Å; F2023-Y2142 HydrophobicContact CD1-CD1 3.73Å; F2023-Y2142 HydrophobicContact CD1-CE1 4.39Å; F2023-Y2142 HydrophobicContact CD2-CD1 4.34Å; F2023-Y2142 HydrophobicContact CD2-CE1 4.25Å; F2023-Y2142 HydrophobicContact CE1-CD1 4.31Å; F2023-Y2142 AromaticContact CG-CD1 3.74Å; F2023-Y2142 HydrophobicContact CG-CD1 3.74Å; F2023-Y2142 AromaticContact CG-CE1 3.93Å; F2023-Y2142 HydrophobicContact CG-CE1 3.93Å; F2023-R2144 PolarHBondContact O-N 3.19Å |
| 2024 | S | 89.2 | Confident | 81.7 | Confident | 18 Ų | 18 | 49 Ų | 49 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -74.3 | 133.1 | -175.6 | -167.9 | 0 | 0 | 0 | 0 | 112.7 | C2021 E2122 R2144 | C2021-S2024 WeakPolarHBondContact O-CB 3.39Å; C2021-S2024 PolarHBondContact O-N 2.99Å; S2024-E2122 PolarHBondContact OG-OE2 3.22Å; S2024-E2122 VanDerWaalsContact OG-OE2 3.06Å; S2024-R2144 CarbonylContact C-O 3.48Å; S2024-R2144 WeakPolarHBondContact CA-O 3.26Å |
| 2025 | L | 87.3 | Confident | 81.5 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | trans | -96.7 | 133.7 | 175.9 | -64 | 168.7 | 0 | 0 | 0 | 110.1 | E2030 L2031 F2034 R2143 R2144 Y2145 F2187 | L2025-E2030 HydrophobicContact CD2-CB 4.45Å; L2025-E2030 HydrophobicContact CD2-CG 4.35Å; L2025-L2031 HydrophobicContact CD1-CB 3.88Å; L2025-L2031 HydrophobicContact CD1-CD1 4.34Å; L2025-L2031 HydrophobicContact CD1-CD2 4.2Å; L2025-L2031 HydrophobicContact CD1-CG 4.36Å; L2025-L2031 HydrophobicContact CD2-CB 3.94Å; L2025-F2034 HydrophobicContact CD2-CD2 3.89Å; L2025-F2034 HydrophobicContact CD2-CE2 4.07Å; L2025-R2143 HydrophobicContact CD1-CB 3.91Å; L2025-R2143 HydrophobicContact CD2-CB 4.09Å; L2025-R2143 HydrophobicContact CD2-CG 4.2Å; L2025-R2143 HydrophobicContact CG-CB 4.01Å; L2025-R2144 WeakPolarHBondContact CB-O 3.12Å; L2025-R2144 WeakPolarHBondContact CG-O 3.39Å; L2025-R2144 PolarHBondContact N-O 3.26Å; L2025-Y2145 HydrophobicContact CB-CD2 4.41Å; L2025-Y2145 VanDerWaalsContact O-CD2 3.29Å; L2025-Y2145 WeakPolarHBondContact O-CD2 3.41Å; L2025-F2187 HydrophobicContact CD1-CE1 4.29Å | ||
| 2026 | K | 76.1 | Confident | 80.8 | Confident | 142 Ų | 142 | 44.6 Ų | 44.6 | 62% | 0.617 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -75 | -31.4 | 173.9 | -65.7 | 161.9 | -155.9 | 71.1 | 0 | 112.6 | E2030 | K2026-E2030 WeakPolarHBondContact CB-OE2 3.46Å; K2026-E2030 WeakPolarHBondContact CD-OE2 3.46Å; K2026-E2030 VanDerWaalsContact CG-OE2 3.3Å; K2026-E2030 WeakPolarHBondContact CG-OE2 3.12Å; K2026-E2030 PolarHBondContact N-OE2 3.45Å; K2026-E2030 IonicContact NZ-OE1 3.77Å; K2026-E2030 PolarHBondContact NZ-OE1 3.37Å; K2026-E2030 IonicContact NZ-OE2 2.81Å; K2026-E2030 PolarHBondContact NZ-OE2 2.97Å |
| 2027 | D | 69.9 | Low | 79.8 | Confident | 33 Ų | 33 | 52.3 Ų | 52.3 | 18% | 0.176 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -164.6 | -178.9 | 176.9 | 64.7 | 18.5 | 0 | 0 | 0 | 111.4 | T1150 T1154 F2029 E2030 | T1150-D2027 HydrophobicContact CG2-CB 4.49Å; T1150-D2027 WeakPolarHBondContact CG2-OD2 3.44Å; T1154-D2027 HydrophobicContact CG2-CB 3.84Å; D2027-F2029 HydrophobicContact CB-CD2 4.22Å; D2027-F2029 PolarHBondContact O-N 2.77Å; D2027-F2029 VanDerWaalsContact O-N 3.11Å; D2027-F2029 VanDerWaalsContact OD1-CA 3.29Å; D2027-F2029 WeakPolarHBondContact OD1-CA 3.37Å; D2027-F2029 WeakPolarHBondContact OD1-CB 3.41Å; D2027-F2029 PolarHBondContact OD1-N 3.14Å; D2027-E2030 PolarHBondContact OD1-N 3.28Å |
| 2028 | T | 74 | Confident | 79.4 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.7 | -11 | 175.5 | -36.9 | 0 | 0 | 0 | 0 | 113.8 | I2032 L2188 I2190 L2204 | T2028-I2032 HydrophobicContact CG2-CD1 4.45Å; T2028-I2032 VanDerWaalsContact O-CD1 3.29Å; T2028-I2032 WeakPolarHBondContact O-CD1 2.93Å; T2028-I2032 WeakPolarHBondContact O-CG1 3.44Å; T2028-I2032 PolarHBondContact O-N 3.23Å; T2028-L2188 HydrophobicContact CG2-CB 4.47Å; T2028-I2190 HydrophobicContact CG2-CB 4.35Å; T2028-I2190 HydrophobicContact CG2-CD1 3.81Å; T2028-I2190 HydrophobicContact CG2-CG1 3.75Å; T2028-I2190 HydrophobicContact CG2-CG2 4Å; T2028-L2204 HydrophobicContact CG2-CD1 4.06Å |
| 2029 | F | 76.7 | Confident | 79.9 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 5% | 0.053 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -96.5 | -33.9 | -168.4 | -61.9 | -105 | 0 | 0 | 0 | 111.4 | E1146 T1150 D2027 L2031 I2032 D2033 L2204 | E1146-F2029 HydrophobicContact CB-CE1 3.72Å; E1146-F2029 HydrophobicContact CG-CD1 4Å; E1146-F2029 HydrophobicContact CG-CE1 3.3Å; E1146-F2029 HydrophobicContact CG-CZ 4.13Å; E1146-F2029 WeakPolarHBondContact O-CE1 3.4Å; E1146-F2029 WeakPolarHBondContact O-CZ 3.25Å; T1150-F2029 HydrophobicContact CG2-CD2 3.51Å; T1150-F2029 HydrophobicContact CG2-CE2 3.7Å; T1150-F2029 HydrophobicContact CG2-CG 4.1Å; T1150-F2029 HydrophobicContact CG2-CZ 4.35Å; T1150-F2029 WeakPolarHBondContact OG1-CD1 3.12Å; T1150-F2029 WeakPolarHBondContact OG1-CD2 3.47Å; T1150-F2029 WeakPolarHBondContact OG1-CE1 3.28Å; T1150-F2029 WeakPolarHBondContact OG1-CE2 3.36Å; T1150-F2029 WeakPolarHBondContact OG1-CZ 3.48Å; D2027-F2029 HydrophobicContact CB-CD2 4.22Å; D2027-F2029 PolarHBondContact O-N 2.77Å; D2027-F2029 VanDerWaalsContact O-N 3.11Å; D2027-F2029 VanDerWaalsContact OD1-CA 3.29Å; D2027-F2029 WeakPolarHBondContact OD1-CA 3.37Å; D2027-F2029 WeakPolarHBondContact OD1-CB 3.41Å; D2027-F2029 PolarHBondContact OD1-N 3.14Å; F2029-L2031 VanDerWaalsContact C-N 3.29Å; F2029-I2032 PolarHBondContact O-N 3.05Å; F2029-D2033 PolarHBondContact O-N 3.13Å; F2029-L2204 HydrophobicContact CZ-CD2 4.26Å |
| 2030 | E | 80.2 | Confident | 80 | Confident | 53 Ų | 53 | 47.2 Ų | 47.2 | 25% | 0.248 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.8 | -40.6 | 162.7 | -169.7 | 156.1 | -116.3 | 0 | 0 | 110.7 | L2025 K2026 D2027 D2033 F2034 | L2025-E2030 HydrophobicContact CD2-CB 4.45Å; L2025-E2030 HydrophobicContact CD2-CG 4.35Å; K2026-E2030 WeakPolarHBondContact CB-OE2 3.46Å; K2026-E2030 WeakPolarHBondContact CD-OE2 3.46Å; K2026-E2030 VanDerWaalsContact CG-OE2 3.3Å; K2026-E2030 WeakPolarHBondContact CG-OE2 3.12Å; K2026-E2030 PolarHBondContact N-OE2 3.45Å; K2026-E2030 IonicContact NZ-OE1 3.77Å; K2026-E2030 PolarHBondContact NZ-OE1 3.37Å; K2026-E2030 IonicContact NZ-OE2 2.81Å; K2026-E2030 PolarHBondContact NZ-OE2 2.97Å; D2027-E2030 PolarHBondContact OD1-N 3.28Å; E2030-D2033 PolarHBondContact O-N 3.09Å; E2030-F2034 HydrophobicContact CG-CD2 4.23Å; E2030-F2034 HydrophobicContact CG-CE2 3.86Å; E2030-F2034 VanDerWaalsContact O-CD2 3.29Å; E2030-F2034 WeakPolarHBondContact O-CD2 3.36Å; E2030-F2034 PolarHBondContact O-N 3.46Å |
| 2031 | L | 81.9 | Confident | 79.7 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 170.7 | 176.2 | 60 | 0 | 0 | 0 | 112.7 | L2025 F2029 D2033 F2034 L2035 L2150 F2187 I2190 | L2025-L2031 HydrophobicContact CD1-CB 3.88Å; L2025-L2031 HydrophobicContact CD1-CD1 4.34Å; L2025-L2031 HydrophobicContact CD1-CD2 4.2Å; L2025-L2031 HydrophobicContact CD1-CG 4.36Å; L2025-L2031 HydrophobicContact CD2-CB 3.94Å; F2029-L2031 VanDerWaalsContact C-N 3.29Å; L2031-D2033 PolarHBondContact O-N 3.43Å; L2031-F2034 PolarHBondContact O-N 3.11Å; L2031-L2035 HydrophobicContact CD1-CD1 3.9Å; L2031-L2035 HydrophobicContact CD1-CD2 4.44Å; L2031-L2035 HydrophobicContact CD1-CG 3.88Å; L2031-L2035 HydrophobicContact CG-CD1 3.88Å; L2031-L2035 HydrophobicContact CG-CG 4.3Å; L2031-L2035 WeakPolarHBondContact O-CB 3.41Å; L2031-L2035 VanDerWaalsContact O-CG 3.28Å; L2031-L2035 WeakPolarHBondContact O-CG 3.16Å; L2031-L2035 PolarHBondContact O-N 3Å; L2031-L2150 HydrophobicContact CD1-CD2 3.83Å; L2031-L2150 HydrophobicContact CD2-CD2 4.16Å; L2031-F2187 HydrophobicContact CD2-CD1 3.42Å; L2031-F2187 VanDerWaalsContact CD2-CD1 3.42Å; L2031-F2187 HydrophobicContact CD2-CE1 3.6Å; L2031-I2190 HydrophobicContact CD2-CD1 3.8Å; L2031-I2190 HydrophobicContact CG-CD1 4.42Å |
| 2032 | I | 74.3 | Confident | 79.6 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -34.3 | 176.2 | -75.5 | 158.4 | 0 | 0 | 0 | 111.6 | E1146 T2028 F2029 I2190 R2202 | E1146-I2032 HydrophobicContact CG-CD1 4.49Å; T2028-I2032 HydrophobicContact CG2-CD1 4.45Å; T2028-I2032 VanDerWaalsContact O-CD1 3.29Å; T2028-I2032 WeakPolarHBondContact O-CD1 2.93Å; T2028-I2032 WeakPolarHBondContact O-CG1 3.44Å; T2028-I2032 PolarHBondContact O-N 3.23Å; F2029-I2032 PolarHBondContact O-N 3.05Å; I2032-I2190 HydrophobicContact CD1-CG2 4.44Å; I2032-R2202 PolarHBondContact O-NH1 2.78Å |
| 2033 | D | 75.7 | Confident | 79.9 | Confident | 95 Ų | 95 | 51.5 Ų | 51.5 | 51% | 0.508 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -75.8 | -39.3 | 176.3 | -67.9 | -19.4 | 0 | 0 | 0 | 111.6 | K1233 F2029 E2030 L2031 L2035 G2036 | K1233-D2033 IonicContact NZ-OD1 2.69Å; K1233-D2033 PolarHBondContact NZ-OD1 2.94Å; K1233-D2033 IonicContact NZ-OD2 2.64Å; K1233-D2033 PolarHBondContact NZ-OD2 3.1Å; F2029-D2033 PolarHBondContact O-N 3.13Å; E2030-D2033 PolarHBondContact O-N 3.09Å; L2031-D2033 PolarHBondContact O-N 3.43Å; D2033-L2035 VanDerWaalsContact C-N 3.33Å; D2033-L2035 PolarHBondContact O-N 2.83Å; D2033-G2036 PolarHBondContact O-N 2.85Å |
| 2034 | F | 77.2 | Confident | 79.8 | Confident | 84 Ų | 84 | 49.8 Ų | 49.8 | 37% | 0.368 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.7 | -36.6 | 170.8 | -79.5 | -56.7 | 0 | 0 | 0 | 113.3 | L2025 E2030 L2031 G2036 R2143 | L2025-F2034 HydrophobicContact CD2-CD2 3.89Å; L2025-F2034 HydrophobicContact CD2-CE2 4.07Å; E2030-F2034 HydrophobicContact CG-CD2 4.23Å; E2030-F2034 HydrophobicContact CG-CE2 3.86Å; E2030-F2034 VanDerWaalsContact O-CD2 3.29Å; E2030-F2034 WeakPolarHBondContact O-CD2 3.36Å; E2030-F2034 PolarHBondContact O-N 3.46Å; L2031-F2034 PolarHBondContact O-N 3.11Å; F2034-G2036 PolarHBondContact O-N 2.91Å; F2034-R2143 HydrophobicContact CD2-CG 4.35Å; F2034-R2143 VanDerWaalsContact CE2-NE 3.29Å |
| 2035 | L | 81.4 | Confident | 80 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 9.1 | 174.6 | -65.6 | 172.6 | 0 | 0 | 0 | 112.9 | L2031 D2033 L2141 I2152 L2192 I2200 R2202 | L2031-L2035 HydrophobicContact CD1-CD1 3.9Å; L2031-L2035 HydrophobicContact CD1-CD2 4.44Å; L2031-L2035 HydrophobicContact CD1-CG 3.88Å; L2031-L2035 HydrophobicContact CG-CD1 3.88Å; L2031-L2035 HydrophobicContact CG-CG 4.3Å; L2031-L2035 WeakPolarHBondContact O-CB 3.41Å; L2031-L2035 VanDerWaalsContact O-CG 3.28Å; L2031-L2035 WeakPolarHBondContact O-CG 3.16Å; L2031-L2035 PolarHBondContact O-N 3Å; D2033-L2035 VanDerWaalsContact C-N 3.33Å; D2033-L2035 PolarHBondContact O-N 2.83Å; L2035-L2141 HydrophobicContact CD2-CD2 3.67Å; L2035-L2141 HydrophobicContact CG-CD2 4.49Å; L2035-I2152 HydrophobicContact CD2-CD1 3.66Å; L2035-L2192 HydrophobicContact CD1-CD2 3.81Å; L2035-I2200 HydrophobicContact CD2-CD1 3.96Å; L2035-R2202 VanDerWaalsContact O-CZ 3.23Å; L2035-R2202 PolarHBondContact O-NH1 3.02Å; L2035-R2202 VanDerWaalsContact O-NH1 3.1Å; L2035-R2202 PolarHBondContact O-NH2 3.29Å |
| 2036 | G | 68.8 | Low | 80.3 | Confident | 37 Ų | 37 | 50.5 Ų | 50.5 | 38% | 0.381 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -52.8 | -60.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D2033 F2034 | D2033-G2036 PolarHBondContact O-N 2.85Å; F2034-G2036 PolarHBondContact O-N 2.91Å |
| 2037 | D | 67.4 | Low | 81.2 | Confident | 168 Ų | 168 | 44.1 Ų | 44.1 | 90% | 0.898 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -113.3 | 4.1 | -164.4 | -53.5 | -61.8 | 0 | 0 | 0 | 114 | N2039 | D2037-N2039 PolarHBondContact O-N 3.11Š|
| 2038 | I | 77.6 | Confident | 82.4 | Confident | 39 Ų | 39 | 42.6 Ų | 42.6 | 20% | 0.2 | 22% | 0.223 | C | C | . | . | trans | -75.8 | 121 | -177 | -56.8 | 177.5 | 0 | 0 | 0 | 111 | I2040 L2141 | I2038-I2040 HydrophobicContact CG2-CG2 3.91Å; I2038-L2141 HydrophobicContact CD1-CB 4.13Å; I2038-L2141 HydrophobicContact CD1-CD1 4.35Å; I2038-L2141 HydrophobicContact CD1-CD2 3.9Å; I2038-L2141 HydrophobicContact CD1-CG 4.35Å | ||
| 2039 | N | 85 | Confident | 83.1 | Confident | 84 Ų | 84 | 44.8 Ų | 44.8 | 45% | 0.449 | 23% | 0.234 | S | C | . | . | trans | -90.6 | 132.1 | 165.4 | -166.8 | -44.2 | 0 | 0 | 0 | 109.8 | D2037 K2041 D2197 G2198 | D2037-N2039 PolarHBondContact O-N 3.11Å; N2039-K2041 WeakPolarHBondContact OD1-CB 3.14Å; N2039-K2041 PolarHBondContact OD1-N 2.89Å; N2039-D2197 PolarHBondContact ND2-O 2.76Å; N2039-G2198 WeakPolarHBondContact OD1-CA 3.31Å; N2039-G2198 PolarHBondContact OD1-O 3.49Å | ||
| 2040 | I | 85.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -115.1 | 12.2 | -177.6 | 63.8 | 161.4 | 0 | 0 | 0 | 114.3 | I2038 D2042 K2043 L2045 I2152 R2194 G2198 I2200 | I2038-I2040 HydrophobicContact CG2-CG2 3.91Å; I2040-D2042 PolarHBondContact O-N 3.24Å; I2040-K2043 HydrophobicContact CB-CB 4.18Å; I2040-K2043 PolarHBondContact O-N 3.48Å; I2040-K2043 VanDerWaalsContact O-O 3.05Å; I2040-L2045 HydrophobicContact CD1-CD1 3.8Å; I2040-L2045 HydrophobicContact CD1-CD2 4.12Å; I2040-L2045 HydrophobicContact CD1-CG 4.01Å; I2040-L2045 HydrophobicContact CG2-CD2 4.5Å; I2040-I2152 HydrophobicContact CG2-CD1 4.33Å; I2040-I2152 HydrophobicContact CG2-CG2 3.8Å; I2040-R2194 HydrophobicContact CD1-CB 4.38Å; I2040-R2194 HydrophobicContact CD1-CG 4.3Å; I2040-R2194 PolarHBondContact O-NH1 3.18Å; I2040-G2198 WeakPolarHBondContact CG1-O 3.43Å; I2040-G2198 PolarHBondContact N-O 3.22Å; I2040-I2200 HydrophobicContact CD1-CD1 4.23Å; I2040-I2200 HydrophobicContact CD1-CG1 3.76Å; I2040-I2200 HydrophobicContact CG1-CD1 4.43Å; I2040-I2200 HydrophobicContact CG1-CG1 3.9Å; I2040-I2200 HydrophobicContact CG2-CD1 3.83Å; I2040-I2200 HydrophobicContact CG2-CG1 4.18Å | ||
| 2041 | K | 82.6 | Confident | 84 | Confident | 124 Ų | 124 | 45.1 Ų | 45.1 | 54% | 0.539 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43.4 | -47.3 | -174.4 | -169.9 | -170.6 | 172.2 | -153.3 | 0 | 112.8 | N2039 K2155 | N2039-K2041 WeakPolarHBondContact OD1-CB 3.14Å; N2039-K2041 PolarHBondContact OD1-N 2.89Å; K2041-K2155 PolarHBondContact O-NZ 2.86Å |
| 2042 | D | 85.1 | Confident | 84 | Confident | 81 Ų | 81 | 49.1 Ų | 49.1 | 43% | 0.433 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 22.6 | -177.3 | -62.2 | -61.9 | 0 | 0 | 0 | 114.3 | I2040 K2155 | I2040-D2042 PolarHBondContact O-N 3.24Å; D2042-K2155 WeakPolarHBondContact O-CD 3.22Å; D2042-K2155 WeakPolarHBondContact O-CG 3.43Å; D2042-K2155 PolarHBondContact O-N 3.49Å; D2042-K2155 IonicContact OD1-NZ 2.7Å; D2042-K2155 PolarHBondContact OD1-NZ 3Å |
| 2043 | K | 90.5 | Very high | 84.7 | Confident | 47 Ų | 47 | 48.9 Ų | 48.9 | 20% | 0.204 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 156.9 | 179.2 | -61 | -167.5 | 174.5 | -64.1 | 0 | 111 | I2040 T2140 I2152 C2153 D2154 R2194 | I2040-K2043 HydrophobicContact CB-CB 4.18Å; I2040-K2043 PolarHBondContact O-N 3.48Å; I2040-K2043 VanDerWaalsContact O-O 3.05Å; K2043-T2140 HydrophobicContact CD-CG2 3.76Å; K2043-T2140 WeakPolarHBondContact CD-OG1 3.35Å; K2043-T2140 VanDerWaalsContact CE-OG1 3.3Å; K2043-T2140 WeakPolarHBondContact CE-OG1 3.22Å; K2043-T2140 PolarHBondContact NZ-OG1 3.23Å; K2043-T2140 VanDerWaalsContact NZ-OG1 3.12Å; K2043-I2152 HydrophobicContact CB-CG2 4.16Å; K2043-C2153 CarbonylContact C-O 3.59Å; K2043-C2153 VanDerWaalsContact CA-O 3.22Å; K2043-C2153 WeakPolarHBondContact CA-O 3.36Å; K2043-C2153 WeakPolarHBondContact CB-O 3.44Å; K2043-D2154 IonicContact NZ-OD2 2.79Å; K2043-D2154 PolarHBondContact NZ-OD2 3.39Å; K2043-R2194 VanDerWaalsContact O-CZ 3.27Å; K2043-R2194 PolarHBondContact O-NH1 3.22Å; K2043-R2194 PolarHBondContact O-NH2 2.9Å |
| 2044 | S | 89 | Confident | 85.4 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 162.5 | 177.8 | 64 | 0 | 0 | 0 | 0 | 112.1 | H2046 I2152 C2153 | S2044-H2046 WeakPolarHBondContact CB-NE2 3.24Å; S2044-H2046 PolarHBondContact OG-CD2 2.84Å; S2044-H2046 PolarHBondContact OG-NE2 3.24Å; S2044-I2152 WeakPolarHBondContact O-CA 3.47Å; S2044-C2153 PolarHBondContact N-O 2.96Å; S2044-C2153 PolarHBondContact O-N 2.79Å; S2044-C2153 PolarHBondContact OG-SG 3.2Å |
| 2045 | L | 93.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.8 | 177.9 | -61.6 | 177.3 | 0 | 0 | 0 | 111.1 | I2040 I2152 E2180 L2185 L2192 | I2040-L2045 HydrophobicContact CD1-CD1 3.8Å; I2040-L2045 HydrophobicContact CD1-CD2 4.12Å; I2040-L2045 HydrophobicContact CD1-CG 4.01Å; I2040-L2045 HydrophobicContact CG2-CD2 4.5Å; L2045-I2152 HydrophobicContact CD2-CB 4.33Å; L2045-I2152 HydrophobicContact CD2-CD1 3.76Å; L2045-I2152 HydrophobicContact CD2-CG1 3.63Å; L2045-I2152 HydrophobicContact CD2-CG2 4.1Å; L2045-E2180 HydrophobicContact CB-CB 4.04Å; L2045-E2180 HydrophobicContact CB-CG 4.37Å; L2045-E2180 PolarHBondContact N-OE1 2.75Å; L2045-E2180 WeakPolarHBondContact O-CB 3.48Å; L2045-E2180 PolarHBondContact O-N 3.5Å; L2045-L2185 HydrophobicContact CB-CD2 4.02Å; L2045-L2192 HydrophobicContact CD1-CB 4.43Å |
| 2046 | H | 95.3 | Very high | 86.2 | Confident | 36 Ų | 36 | 44.6 Ų | 44.6 | 17% | 0.167 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 151 | -179.9 | -55.2 | -92.8 | 0 | 0 | 0 | 111.6 | S2044 I2151 V2159 H2177 | S2044-H2046 WeakPolarHBondContact CB-NE2 3.24Å; S2044-H2046 PolarHBondContact OG-CD2 2.84Å; S2044-H2046 PolarHBondContact OG-NE2 3.24Å; H2046-I2151 HydrophobicContact CB-CB 4.5Å; H2046-I2151 PolarHBondContact N-O 3.4Å; H2046-I2151 PolarHBondContact O-N 3.11Å; H2046-V2159 HydrophobicContact CB-CG1 4.35Å; H2046-H2177 AromaticContact CG-NE2 3.84Å; H2046-H2177 AromaticContact ND1-CE1 3.88Å; H2046-H2177 AromaticContact ND1-NE2 3.13Å; H2046-H2177 PolarHBondContact ND1-NE2 3.04Å; H2046-H2177 VanDerWaalsContact ND1-NE2 3.13Å |
| 2047 | S | 94.3 | Very high | 87.3 | Confident | 8 Ų | 8 | 42.8 Ų | 42.8 | 6% | 0.056 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 143.1 | 169.9 | -159.7 | 0 | 0 | 0 | 0 | 110.5 | I2149 E2178 F2187 | S2047-I2149 CarbonylContact C-O 3.48Å; S2047-I2149 VanDerWaalsContact CA-O 3.22Å; S2047-I2149 WeakPolarHBondContact CA-O 3.46Å; S2047-I2149 PolarHBondContact OG-O 2.88Å; S2047-E2178 PolarHBondContact N-O 3.3Å; S2047-E2178 PolarHBondContact O-N 3.03Å; S2047-F2187 WeakPolarHBondContact OG-CD2 3.29Å |
| 2048 | F | 94.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 157.4 | 159.2 | -51.2 | -39.4 | 0 | 0 | 0 | 110.7 | I2149 I2151 V2159 L2163 L2166 T2176 H2177 | F2048-I2149 HydrophobicContact CB-CB 4.14Å; F2048-I2149 HydrophobicContact CB-CD1 4.27Å; F2048-I2149 PolarHBondContact N-O 3.27Å; F2048-I2149 PolarHBondContact O-N 2.71Å; F2048-I2151 HydrophobicContact CD2-CD1 3.73Å; F2048-I2151 HydrophobicContact CE2-CD1 3.3Å; F2048-I2151 HydrophobicContact CZ-CD1 3.87Å; F2048-V2159 HydrophobicContact CE1-CG1 4.04Å; F2048-V2159 HydrophobicContact CZ-CG1 3.81Å; F2048-L2163 HydrophobicContact CD1-CD1 3.99Å; F2048-L2163 HydrophobicContact CD2-CD1 4.45Å; F2048-L2163 HydrophobicContact CE1-CB 4.11Å; F2048-L2163 HydrophobicContact CE1-CD1 3.83Å; F2048-L2163 HydrophobicContact CE1-CD2 4.35Å; F2048-L2163 HydrophobicContact CE1-CG 4.32Å; F2048-L2163 HydrophobicContact CE2-CB 4.47Å; F2048-L2163 HydrophobicContact CE2-CD1 4.3Å; F2048-L2163 HydrophobicContact CG-CD1 4.32Å; F2048-L2163 HydrophobicContact CZ-CB 3.78Å; F2048-L2163 HydrophobicContact CZ-CD1 4Å; F2048-L2163 HydrophobicContact CZ-CG 4.4Å; F2048-L2166 HydrophobicContact CD2-CD1 4.02Å; F2048-L2166 HydrophobicContact CE2-CD1 3.71Å; F2048-T2176 WeakPolarHBondContact CA-O 3.22Å; F2048-T2176 WeakPolarHBondContact CB-O 3.24Å; F2048-H2177 HydrophobicContact CD1-CB 4.03Å; F2048-H2177 AromaticContact CD1-CD2 3.74Å; F2048-H2177 HydrophobicContact CE1-CB 4.13Å; F2048-H2177 AromaticContact CE1-CD2 3.46Å; F2048-H2177 VanDerWaalsContact CE1-CD2 3.46Å; F2048-H2177 WeakPolarHBondContact CE1-CD2 3.42Å; F2048-H2177 AromaticContact CE1-CG 3.99Å |
| 2049 | D | 90.1 | Very high | 89 | Confident | 50 Ų | 50 | 34.7 Ų | 34.7 | 27% | 0.267 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 132 | 174.1 | 173.4 | 35 | 0 | 0 | 0 | 109.9 | D2147 M2175 T2176 | D2049-D2147 WeakPolarHBondContact CA-O 3.37Å; D2049-M2175 WeakPolarHBondContact O-CA 3.34Å; D2049-T2176 PolarHBondContact N-O 3.22Å; D2049-T2176 PolarHBondContact O-N 2.8Å; D2049-T2176 PolarHBondContact O-OG1 3.45Å |
| 2050 | V | 89.9 | Confident | 89.3 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 115.3 | -175.9 | -176.8 | 0 | 0 | 0 | 0 | 111.2 | S2052 L2053 M2125 D2147 I2173 M2175 | V2050-S2052 PolarHBondContact O-N 3.46Å; V2050-S2052 VanDerWaalsContact O-N 3.1Å; V2050-L2053 HydrophobicContact CB-CB 4.32Å; V2050-L2053 HydrophobicContact CG1-CB 3.98Å; V2050-L2053 HydrophobicContact CG1-CD1 4.14Å; V2050-M2125 HydrophobicContact CG2-CE 3.83Å; V2050-M2125 HydrophobicContact CG2-SD 4.04Å; V2050-D2147 HydrophobicContact CB-CB 4.28Å; V2050-D2147 PolarHBondContact N-O 3.42Å; V2050-D2147 VanDerWaalsContact N-O 3.14Å; V2050-I2173 HydrophobicContact CG1-CD1 3.98Å; V2050-I2173 HydrophobicContact CG1-CG1 4.04Å; V2050-I2173 HydrophobicContact CG1-CG2 4.32Å; V2050-M2175 HydrophobicContact CG2-CE 4.49Å; V2050-M2175 HydrophobicContact CG2-CG 4.24Å; V2050-M2175 HydrophobicContact CG2-SD 4.43Å |
| 2051 | N | 84.5 | Confident | 89.5 | Confident | 71 Ų | 71 | 39.7 Ų | 39.7 | 38% | 0.38 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 117.3 | 179.6 | -72.8 | -70.5 | 0 | 0 | 0 | 112.1 | L2053 V2174 T2176 | N2051-L2053 PolarHBondContact O-N 3.17Å; N2051-L2053 VanDerWaalsContact O-N 3.14Å; N2051-V2174 PolarHBondContact N-O 2.75Å; N2051-V2174 PolarHBondContact ND2-O 3.37Å; N2051-T2176 VanDerWaalsContact ND2-CG2 3.31Å; N2051-T2176 WeakPolarHBondContact ND2-CG2 3.42Å |
| 2052 | S | 82.5 | Confident | 90 | Very high | 85 Ų | 85 | 33.8 Ų | 33.8 | 59% | 0.594 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 29.8 | 170.9 | -59.9 | 0 | 0 | 0 | 0 | 115.9 | V2050 F2054 T2055 | V2050-S2052 PolarHBondContact O-N 3.46Å; V2050-S2052 VanDerWaalsContact O-N 3.1Å; S2052-F2054 VanDerWaalsContact C-N 3.29Å; S2052-F2054 PolarHBondContact O-N 2.95Å; S2052-T2055 PolarHBondContact O-N 3.34Å; S2052-T2055 PolarHBondContact O-OG1 3.14Å |
| 2053 | L | 90 | Very high | 90.5 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -28.4 | -56.2 | -175.3 | 175.7 | 59.1 | 0 | 0 | 0 | 115.2 | V2050 N2051 T2055 N2056 V2057 A2121 F2124 M2125 D2147 I2173 | V2050-L2053 HydrophobicContact CB-CB 4.32Å; V2050-L2053 HydrophobicContact CG1-CB 3.98Å; V2050-L2053 HydrophobicContact CG1-CD1 4.14Å; N2051-L2053 PolarHBondContact O-N 3.17Å; N2051-L2053 VanDerWaalsContact O-N 3.14Å; L2053-T2055 PolarHBondContact O-N 3.12Å; L2053-N2056 CarbonylContact O-C 3.53Å; L2053-N2056 PolarHBondContact O-N 3.35Å; L2053-V2057 HydrophobicContact CD1-CG2 4.34Å; L2053-V2057 VanDerWaalsContact O-CG2 3.28Å; L2053-V2057 WeakPolarHBondContact O-CG2 3.32Å; L2053-V2057 PolarHBondContact O-N 3.32Å; L2053-V2057 VanDerWaalsContact O-N 3.14Å; L2053-A2121 HydrophobicContact CD2-CB 4.13Å; L2053-A2121 HydrophobicContact CG-CB 4.21Å; L2053-F2124 HydrophobicContact CD1-CD1 4.5Å; L2053-M2125 HydrophobicContact CD1-CG 4.03Å; L2053-M2125 HydrophobicContact CD1-SD 4.06Å; L2053-M2125 HydrophobicContact CD2-CG 4.25Å; L2053-D2147 HydrophobicContact CB-CB 4.34Å; L2053-D2147 HydrophobicContact CD2-CB 4.17Å; L2053-I2173 HydrophobicContact CD1-CD1 4.29Å |
| 2054 | F | 90.5 | Very high | 90.7 | Very high | 26 Ų | 26 | 29.9 Ų | 29.9 | 11% | 0.114 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -56.4 | -39.5 | -176.7 | -73.5 | -96.1 | 0 | 0 | 0 | 114.8 | S2052 N2056 V2110 M2112 P2118 A2121 M2146 | S2052-F2054 VanDerWaalsContact C-N 3.29Å; S2052-F2054 PolarHBondContact O-N 2.95Å; F2054-N2056 VanDerWaalsContact C-N 3.29Å; F2054-V2110 HydrophobicContact CB-CG2 4.43Å; F2054-V2110 HydrophobicContact CD1-CG2 4.07Å; F2054-V2110 WeakPolarHBondContact O-CG2 3.06Å; F2054-V2110 PolarHBondContact O-N 3.02Å; F2054-M2112 HydrophobicContact CB-CE 4.46Å; F2054-M2112 HydrophobicContact CB-CG 3.75Å; F2054-M2112 HydrophobicContact CB-SD 4.37Å; F2054-M2112 HydrophobicContact CD1-CG 4.32Å; F2054-M2112 HydrophobicContact CD2-CE 3.79Å; F2054-M2112 HydrophobicContact CE2-CE 4.25Å; F2054-M2112 HydrophobicContact CG-CE 4.09Å; F2054-M2112 HydrophobicContact CG-CG 3.99Å; F2054-P2118 HydrophobicContact CE1-CB 4.44Å; F2054-P2118 HydrophobicContact CE1-CG 4.14Å; F2054-A2121 HydrophobicContact CE1-CB 4.38Å; F2054-M2146 HydrophobicContact CZ-SD 4.32Å |
| 2055 | T | 87.1 | Confident | 91 | Very high | 28 Ų | 28 | 31 Ų | 31 | 17% | 0.172 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -83.7 | -6.2 | 178.6 | 51.9 | 0 | 0 | 0 | 0 | 113 | K1929 F1930 S2052 L2053 | K1929-T2055 WeakPolarHBondContact CD-O 3.24Å; K1929-T2055 WeakPolarHBondContact CE-O 2.88Å; K1929-T2055 PolarHBondContact NZ-O 3.44Å; F1930-T2055 HydrophobicContact CZ-CG2 4.5Å; S2052-T2055 PolarHBondContact O-N 3.34Å; S2052-T2055 PolarHBondContact O-OG1 3.14Å; L2053-T2055 PolarHBondContact O-N 3.12Å |
| 2056 | N | 88.4 | Confident | 91.1 | Very high | 35 Ų | 35 | 31.2 Ų | 31.2 | 19% | 0.187 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -119.7 | 14.1 | -175.5 | -66.8 | 27.5 | 0 | 0 | 0 | 112.4 | L2053 F2054 P2058 D2172 | L2053-N2056 CarbonylContact O-C 3.53Å; L2053-N2056 PolarHBondContact O-N 3.35Å; F2054-N2056 VanDerWaalsContact C-N 3.29Å; N2056-P2058 WeakPolarHBondContact O-CD 3.22Å; N2056-D2172 PolarHBondContact ND2-O 3.17Å |
| 2057 | V | 90.5 | Very high | 91 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -72.8 | 117 | 170 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | L2053 L2059 T2062 G2109 V2110 A2121 F2124 | L2053-V2057 HydrophobicContact CD1-CG2 4.34Å; L2053-V2057 VanDerWaalsContact O-CG2 3.28Å; L2053-V2057 WeakPolarHBondContact O-CG2 3.32Å; L2053-V2057 PolarHBondContact O-N 3.32Å; L2053-V2057 VanDerWaalsContact O-N 3.14Å; V2057-L2059 VanDerWaalsContact C-N 3.33Å; V2057-L2059 PolarHBondContact O-N 2.6Å; V2057-T2062 HydrophobicContact CG1-CG2 4.01Å; V2057-T2062 VanDerWaalsContact CG1-OG1 3.3Å; V2057-T2062 WeakPolarHBondContact CG1-OG1 3.45Å; V2057-G2109 WeakPolarHBondContact O-CA 3.28Å; V2057-V2110 HydrophobicContact CB-CG2 4.29Å; V2057-V2110 HydrophobicContact CG2-CG2 3.93Å; V2057-A2121 HydrophobicContact CG2-CB 4.22Å; V2057-F2124 HydrophobicContact CB-CD1 4.42Å; V2057-F2124 HydrophobicContact CG1-CB 4.01Å; V2057-F2124 HydrophobicContact CG1-CD1 4.18Å; V2057-F2124 HydrophobicContact CG1-CG 4.27Å; V2057-F2124 HydrophobicContact CG2-CD1 4.4Å | ||
| 2058 | P | 90.6 | Very high | 90.9 | Very high | 21 Ų | 21 | 34.3 Ų | 34.3 | 14% | 0.136 | 19% | 0.187 | C | C | . | . | trans | -71.5 | 92 | 174.5 | 30.3 | -32.2 | 0 | 0 | 0 | 108.3 | N2056 T2060 K2061 T2062 F2124 | N2056-P2058 WeakPolarHBondContact O-CD 3.22Å; P2058-T2060 PolarHBondContact O-N 2.82Å; P2058-K2061 HydrophobicContact CB-CB 4.3Å; P2058-K2061 HydrophobicContact CB-CD 4.39Å; P2058-K2061 HydrophobicContact CB-CG 4.46Å; P2058-K2061 HydrophobicContact CG-CB 4.31Å; P2058-K2061 HydrophobicContact CG-CD 4.49Å; P2058-K2061 PolarHBondContact O-N 2.85Å; P2058-T2062 WeakPolarHBondContact O-CB 2.94Å; P2058-T2062 PolarHBondContact O-N 2.94Å; P2058-T2062 PolarHBondContact O-OG1 3.1Å; P2058-F2124 HydrophobicContact CG-CD1 4.48Å; P2058-F2124 HydrophobicContact CG-CD2 4.03Å; P2058-F2124 HydrophobicContact CG-CE1 4Å; P2058-F2124 HydrophobicContact CG-CE2 3.54Å; P2058-F2124 HydrophobicContact CG-CG 4.5Å; P2058-F2124 HydrophobicContact CG-CZ 3.53Å | ||
| 2059 | L | 90.8 | Very high | 90.9 | Very high | 16 Ų | 16 | 36.3 Ų | 36.3 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.2 | -47.3 | -163.7 | 176.6 | 58 | 0 | 0 | 0 | 112.5 | V2057 T2062 V2063 L2089 A2093 V2110 L2120 | V2057-L2059 VanDerWaalsContact C-N 3.33Å; V2057-L2059 PolarHBondContact O-N 2.6Å; L2059-T2062 WeakPolarHBondContact O-CB 3.43Å; L2059-T2062 PolarHBondContact O-N 2.88Å; L2059-V2063 HydrophobicContact CD1-CG2 3.98Å; L2059-V2063 WeakPolarHBondContact O-CG2 3.27Å; L2059-V2063 PolarHBondContact O-N 3.22Å; L2059-L2089 HydrophobicContact CD2-CD2 4.07Å; L2059-L2089 HydrophobicContact CG-CD2 3.95Å; L2059-A2093 HydrophobicContact CD2-CB 3.82Å; L2059-V2110 HydrophobicContact CD1-CG1 3.91Å; L2059-L2120 HydrophobicContact CD1-CD1 3.79Å |
| 2060 | T | 90.3 | Very high | 91 | Very high | 78 Ų | 78 | 34.1 Ų | 34.1 | 48% | 0.479 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.5 | -53.1 | -179.1 | -43.6 | 0 | 0 | 0 | 0 | 111.8 | P2058 T2062 V2063 D2064 | P2058-T2060 PolarHBondContact O-N 2.82Å; T2060-T2062 PolarHBondContact O-N 2.81Å; T2060-V2063 PolarHBondContact O-N 2.72Å; T2060-D2064 WeakPolarHBondContact O-CB 3.41Å; T2060-D2064 VanDerWaalsContact O-CG 3.32Å; T2060-D2064 PolarHBondContact O-N 2.97Å |
| 2061 | K | 90.1 | Very high | 90.8 | Very high | 110 Ų | 110 | 36.9 Ų | 36.9 | 48% | 0.478 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -54.8 | -38.8 | 176 | -68 | -169.5 | 178 | -170.9 | 0 | 112.1 | P2058 F2065 | P2058-K2061 HydrophobicContact CB-CB 4.3Å; P2058-K2061 HydrophobicContact CB-CD 4.39Å; P2058-K2061 HydrophobicContact CB-CG 4.46Å; P2058-K2061 HydrophobicContact CG-CB 4.31Å; P2058-K2061 HydrophobicContact CG-CD 4.49Å; P2058-K2061 PolarHBondContact O-N 2.85Å; K2061-F2065 WeakPolarHBondContact O-CB 3.28Å; K2061-F2065 PolarHBondContact O-N 2.8Å |
| 2062 | T | 94.2 | Very high | 91 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.4 | -41.2 | -178.4 | -55.9 | 0 | 0 | 0 | 0 | 112.4 | V2057 P2058 L2059 T2060 L2066 L2120 V2123 F2124 | V2057-T2062 HydrophobicContact CG1-CG2 4.01Å; V2057-T2062 VanDerWaalsContact CG1-OG1 3.3Å; V2057-T2062 WeakPolarHBondContact CG1-OG1 3.45Å; P2058-T2062 WeakPolarHBondContact O-CB 2.94Å; P2058-T2062 PolarHBondContact O-N 2.94Å; P2058-T2062 PolarHBondContact O-OG1 3.1Å; L2059-T2062 WeakPolarHBondContact O-CB 3.43Å; L2059-T2062 PolarHBondContact O-N 2.88Å; T2060-T2062 PolarHBondContact O-N 2.81Å; T2062-L2066 PolarHBondContact O-N 3.2Å; T2062-L2120 HydrophobicContact CG2-CB 4.23Å; T2062-L2120 HydrophobicContact CG2-CD2 4.37Å; T2062-L2120 VanDerWaalsContact CG2-O 3.31Å; T2062-L2120 WeakPolarHBondContact CG2-O 3.03Å; T2062-V2123 HydrophobicContact CG2-CB 4.32Å; T2062-V2123 HydrophobicContact CG2-CG1 4.05Å; T2062-F2124 HydrophobicContact CG2-CB 3.8Å |
| 2063 | V | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.1 | -39.7 | 175.3 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | L2059 T2060 L2066 C2067 K2085 L2088 L2089 L2120 | L2059-V2063 HydrophobicContact CD1-CG2 3.98Å; L2059-V2063 WeakPolarHBondContact O-CG2 3.27Å; L2059-V2063 PolarHBondContact O-N 3.22Å; T2060-V2063 PolarHBondContact O-N 2.72Å; V2063-L2066 WeakPolarHBondContact O-CB 3.05Å; V2063-L2066 PolarHBondContact O-N 3.36Å; V2063-C2067 WeakPolarHBondContact O-CB 3.35Å; V2063-C2067 PolarHBondContact O-N 2.83Å; V2063-C2067 PolarHBondContact O-SG 2.91Å; V2063-K2085 HydrophobicContact CG1-CB 4.04Å; V2063-K2085 HydrophobicContact CG1-CG 3.85Å; V2063-L2088 HydrophobicContact CG1-CB 4.26Å; V2063-L2088 HydrophobicContact CG1-CD1 3.96Å; V2063-L2088 HydrophobicContact CG2-CB 4.18Å; V2063-L2088 HydrophobicContact CG2-CD1 4.39Å; V2063-L2089 HydrophobicContact CG2-CD2 4.43Å; V2063-L2120 HydrophobicContact CG2-CD2 4.26Å |
| 2064 | D | 94.6 | Very high | 91.2 | Very high | 45 Ų | 45 | 44.8 Ų | 44.8 | 24% | 0.241 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.3 | -49.6 | 179.2 | -70.5 | -24.3 | 0 | 0 | 0 | 111.7 | T2060 L2066 C2067 D2068 K2085 | T2060-D2064 WeakPolarHBondContact O-CB 3.41Å; T2060-D2064 VanDerWaalsContact O-CG 3.32Å; T2060-D2064 PolarHBondContact O-N 2.97Å; D2064-L2066 VanDerWaalsContact C-N 3.25Å; D2064-L2066 PolarHBondContact O-N 2.75Å; D2064-C2067 PolarHBondContact O-N 2.93Å; D2064-D2068 PolarHBondContact O-N 3.39Å; D2064-K2085 VanDerWaalsContact OD1-CD 3.24Å; D2064-K2085 WeakPolarHBondContact OD1-CD 3.3Å; D2064-K2085 WeakPolarHBondContact OD1-CE 3.08Å; D2064-K2085 IonicContact OD1-NZ 3.22Å; D2064-K2085 PolarHBondContact OD1-NZ 2.93Å; D2064-K2085 IonicContact OD2-NZ 2.94Å; D2064-K2085 PolarHBondContact OD2-NZ 3.33Å |
| 2065 | F | 94.6 | Very high | 90.7 | Very high | 39 Ų | 39 | 49 Ų | 49 | 17% | 0.171 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.7 | -37.3 | 172.8 | 172 | -107 | 0 | 0 | 0 | 113.4 | L2020 K2061 Y2069 V2123 Y2127 | L2020-F2065 HydrophobicContact CD1-CE1 4.06Å; L2020-F2065 HydrophobicContact CD1-CZ 3.99Å; L2020-F2065 HydrophobicContact CD2-CE1 4.25Å; K2061-F2065 WeakPolarHBondContact O-CB 3.28Å; K2061-F2065 PolarHBondContact O-N 2.8Å; F2065-Y2069 VanDerWaalsContact O-CB 3.26Å; F2065-Y2069 WeakPolarHBondContact O-CB 3.47Å; F2065-Y2069 PolarHBondContact O-N 3.46Å; F2065-V2123 HydrophobicContact CD1-CG1 3.88Å; F2065-V2123 HydrophobicContact CE1-CG1 4.25Å; F2065-Y2127 HydrophobicContact CB-CD2 4.46Å; F2065-Y2127 AromaticContact CD2-CD2 3.73Å; F2065-Y2127 HydrophobicContact CD2-CD2 3.73Å; F2065-Y2127 HydrophobicContact CE2-CD2 4.04Å; F2065-Y2127 AromaticContact CG-CD2 3.98Å; F2065-Y2127 HydrophobicContact CG-CD2 3.98Å; F2065-Y2127 HydrophobicContact CG-CG 4.45Å |
| 2066 | L | 95.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67 | -45.9 | 175.1 | -176.2 | 57.2 | 0 | 0 | 0 | 111.9 | L2013 L2020 T2062 V2063 D2064 Y2069 I2070 L2088 L2119 L2120 V2123 | L2013-L2066 HydrophobicContact CD1-CD2 4.31Å; L2020-L2066 HydrophobicContact CD2-CD1 4.1Å; T2062-L2066 PolarHBondContact O-N 3.2Å; V2063-L2066 WeakPolarHBondContact O-CB 3.05Å; V2063-L2066 PolarHBondContact O-N 3.36Å; D2064-L2066 VanDerWaalsContact C-N 3.25Å; D2064-L2066 PolarHBondContact O-N 2.75Å; L2066-Y2069 PolarHBondContact O-N 2.65Å; L2066-I2070 HydrophobicContact CD1-CD1 4Å; L2066-I2070 HydrophobicContact CD1-CG1 4.38Å; L2066-I2070 HydrophobicContact CG-CD1 3.93Å; L2066-I2070 WeakPolarHBondContact O-CB 3.31Å; L2066-I2070 VanDerWaalsContact O-CG1 3.25Å; L2066-I2070 WeakPolarHBondContact O-CG1 3.3Å; L2066-I2070 PolarHBondContact O-N 2.77Å; L2066-L2088 HydrophobicContact CD2-CD1 4.16Å; L2066-L2119 HydrophobicContact CD2-CD2 4.36Å; L2066-L2120 HydrophobicContact CD2-CD2 4.28Å; L2066-V2123 HydrophobicContact CB-CG1 4.08Å; L2066-V2123 HydrophobicContact CD1-CG1 4.36Å; L2066-V2123 HydrophobicContact CD1-CG2 4.14Å |
| 2067 | C | 93.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.02 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 179.8 | -81.9 | 0 | 0 | 0 | 0 | 112.1 | V2063 D2064 I2070 S2071 S2081 | V2063-C2067 WeakPolarHBondContact O-CB 3.35Å; V2063-C2067 PolarHBondContact O-N 2.83Å; V2063-C2067 PolarHBondContact O-SG 2.91Å; D2064-C2067 PolarHBondContact O-N 2.93Å; C2067-I2070 PolarHBondContact O-N 2.73Å; C2067-S2071 WeakPolarHBondContact O-CB 3.43Å; C2067-S2071 PolarHBondContact O-N 3.12Å; C2067-S2071 PolarHBondContact O-OG 3.21Å; C2067-S2081 WeakPolarHBondContact CB-OG 3.34Å |
| 2068 | D | 91.8 | Very high | 90.2 | Very high | 106 Ų | 106 | 59.2 Ų | 59.2 | 57% | 0.567 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.1 | -45.5 | 173.8 | -67.7 | -21.4 | 0 | 0 | 0 | 111.4 | D2064 I2070 S2071 K2072 | D2064-D2068 PolarHBondContact O-N 3.39Å; D2068-I2070 VanDerWaalsContact C-N 3.33Å; D2068-I2070 PolarHBondContact O-N 3.01Å; D2068-S2071 PolarHBondContact O-N 3.34Å; D2068-K2072 WeakPolarHBondContact O-CB 3.21Å; D2068-K2072 PolarHBondContact O-N 2.85Å |
| 2069 | Y | 93.5 | Very high | 90.1 | Very high | 43 Ų | 43 | 58.4 Ų | 58.4 | 17% | 0.169 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.4 | -41 | 176.7 | -178 | -98.8 | 0 | 0 | 0 | 112 | I2016 L2020 F2065 L2066 N2073 F2074 | I2016-Y2069 HydrophobicContact CG2-CD1 4.04Å; I2016-Y2069 HydrophobicContact CG2-CE1 3.96Å; L2020-Y2069 HydrophobicContact CB-CD1 4.21Å; L2020-Y2069 HydrophobicContact CB-CE1 3.71Å; L2020-Y2069 HydrophobicContact CD1-CD1 4.08Å; L2020-Y2069 HydrophobicContact CD1-CD2 3.9Å; L2020-Y2069 HydrophobicContact CD1-CE1 4.07Å; L2020-Y2069 HydrophobicContact CD1-CE2 3.91Å; L2020-Y2069 HydrophobicContact CD1-CG 4Å; L2020-Y2069 HydrophobicContact CD2-CD1 3.9Å; L2020-Y2069 HydrophobicContact CD2-CE1 4.27Å; L2020-Y2069 HydrophobicContact CD2-CG 4.29Å; L2020-Y2069 HydrophobicContact CG-CD1 4.3Å; L2020-Y2069 HydrophobicContact CG-CE1 4.22Å; F2065-Y2069 VanDerWaalsContact O-CB 3.26Å; F2065-Y2069 WeakPolarHBondContact O-CB 3.47Å; F2065-Y2069 PolarHBondContact O-N 3.46Å; L2066-Y2069 PolarHBondContact O-N 2.65Å; Y2069-N2073 VanDerWaalsContact CD2-ND2 3.26Å; Y2069-N2073 WeakPolarHBondContact CD2-ND2 3.16Å; Y2069-N2073 HydrophobicContact CE2-CB 4.49Å; Y2069-N2073 VanDerWaalsContact CE2-ND2 3.33Å; Y2069-N2073 WeakPolarHBondContact CE2-ND2 3.43Å; Y2069-N2073 WeakPolarHBondContact O-CB 3.41Å; Y2069-N2073 PolarHBondContact O-N 3.41Å; Y2069-N2073 PolarHBondContact O-ND2 2.9Å; Y2069-F2074 HydrophobicContact CE1-CD2 4.47Å; Y2069-F2074 AromaticContact CE1-CE2 3.81Å; Y2069-F2074 HydrophobicContact CE1-CE2 3.81Å |
| 2070 | I | 91.9 | Very high | 90 | Very high | 5 Ų | 5 | 60.9 Ų | 60.9 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 174 | -71.6 | 169.4 | 0 | 0 | 0 | 110.6 | L2013 I2016 L2066 C2067 D2068 K2072 N2073 F2074 F2077 L2084 | L2013-I2070 HydrophobicContact CD2-CD1 3.65Å; I2016-I2070 HydrophobicContact CD1-CD1 3.96Å; I2016-I2070 HydrophobicContact CD1-CG1 3.95Å; I2016-I2070 HydrophobicContact CG2-CG1 4.04Å; L2066-I2070 HydrophobicContact CD1-CD1 4Å; L2066-I2070 HydrophobicContact CD1-CG1 4.38Å; L2066-I2070 HydrophobicContact CG-CD1 3.93Å; L2066-I2070 WeakPolarHBondContact O-CB 3.31Å; L2066-I2070 VanDerWaalsContact O-CG1 3.25Å; L2066-I2070 WeakPolarHBondContact O-CG1 3.3Å; L2066-I2070 PolarHBondContact O-N 2.77Å; C2067-I2070 PolarHBondContact O-N 2.73Å; D2068-I2070 VanDerWaalsContact C-N 3.33Å; D2068-I2070 PolarHBondContact O-N 3.01Å; I2070-K2072 VanDerWaalsContact C-N 3.29Å; I2070-K2072 PolarHBondContact O-N 2.64Å; I2070-N2073 PolarHBondContact O-N 2.88Å; I2070-F2074 HydrophobicContact CG2-CB 4.39Å; I2070-F2074 CarbonylContact O-C 3.34Å; I2070-F2074 VanDerWaalsContact O-C 3.24Å; I2070-F2074 VanDerWaalsContact O-CA 3.27Å; I2070-F2074 WeakPolarHBondContact O-CA 3.18Å; I2070-F2074 WeakPolarHBondContact O-CB 2.99Å; I2070-F2074 PolarHBondContact O-N 2.85Å; I2070-F2077 HydrophobicContact CG2-CB 3.69Å; I2070-F2077 HydrophobicContact CG2-CD1 3.97Å; I2070-F2077 HydrophobicContact CG2-CD2 4.32Å; I2070-F2077 HydrophobicContact CG2-CG 3.73Å; I2070-L2084 HydrophobicContact CD1-CD2 3.67Å |
| 2071 | S | 87.1 | Confident | 89.8 | Confident | 59 Ų | 59 | 58.8 Ų | 58.8 | 41% | 0.413 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.7 | -38.7 | -179.5 | -55.7 | 0 | 0 | 0 | 0 | 112.1 | C2067 D2068 S2081 | C2067-S2071 WeakPolarHBondContact O-CB 3.43Å; C2067-S2071 PolarHBondContact O-N 3.12Å; C2067-S2071 PolarHBondContact O-OG 3.21Å; D2068-S2071 PolarHBondContact O-N 3.34Å; S2071-S2081 VanDerWaalsContact OG-CB 3.32Å; S2071-S2081 WeakPolarHBondContact OG-CB 3.26Å; S2071-S2081 PolarHBondContact OG-OG 3.33Å |
| 2072 | K | 87.6 | Confident | 89.8 | Confident | 184 Ų | 184 | 58.1 Ų | 58.1 | 80% | 0.8 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -80.4 | -32.6 | -178.9 | -173.1 | 167.9 | -176.6 | 171.8 | 0 | 114.5 | D2068 I2070 | D2068-K2072 WeakPolarHBondContact O-CB 3.21Å; D2068-K2072 PolarHBondContact O-N 2.85Å; I2070-K2072 VanDerWaalsContact C-N 3.29Å; I2070-K2072 PolarHBondContact O-N 2.64Å |
| 2073 | N | 89.5 | Confident | 89.7 | Confident | 82 Ų | 82 | 59 Ų | 59 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -112.3 | -16.2 | -171.9 | -59.9 | -96.9 | 0 | 0 | 0 | 114 | Y2069 I2070 | Y2069-N2073 VanDerWaalsContact CD2-ND2 3.26Å; Y2069-N2073 WeakPolarHBondContact CD2-ND2 3.16Å; Y2069-N2073 HydrophobicContact CE2-CB 4.49Å; Y2069-N2073 VanDerWaalsContact CE2-ND2 3.33Å; Y2069-N2073 WeakPolarHBondContact CE2-ND2 3.43Å; Y2069-N2073 WeakPolarHBondContact O-CB 3.41Å; Y2069-N2073 PolarHBondContact O-N 3.41Å; Y2069-N2073 PolarHBondContact O-ND2 2.9Å; I2070-N2073 PolarHBondContact O-N 2.88Å |
| 2074 | F | 88.7 | Confident | 89.6 | Confident | 57 Ų | 57 | 59.1 Ų | 59.1 | 25% | 0.25 | 32% | 0.323 | C | S | . | . | trans | -137.9 | 59.2 | -175.8 | -60.9 | -91.7 | 0 | 0 | 0 | 111.4 | I2016 N2019 Y2069 I2070 L2076 F2077 | I2016-F2074 HydrophobicContact CB-CE2 4.33Å; I2016-F2074 HydrophobicContact CB-CZ 4.42Å; I2016-F2074 HydrophobicContact CG1-CD1 4.19Å; I2016-F2074 HydrophobicContact CG1-CD2 4.05Å; I2016-F2074 HydrophobicContact CG1-CE1 4.09Å; I2016-F2074 HydrophobicContact CG1-CE2 3.97Å; I2016-F2074 HydrophobicContact CG1-CG 4.16Å; I2016-F2074 HydrophobicContact CG1-CZ 3.97Å; I2016-F2074 HydrophobicContact CG2-CD2 4.31Å; I2016-F2074 HydrophobicContact CG2-CE2 3.92Å; I2016-F2074 HydrophobicContact CG2-CZ 4.46Å; N2019-F2074 HydrophobicContact CB-CZ 4.45Å; Y2069-F2074 HydrophobicContact CE1-CD2 4.47Å; Y2069-F2074 AromaticContact CE1-CE2 3.81Å; Y2069-F2074 HydrophobicContact CE1-CE2 3.81Å; I2070-F2074 HydrophobicContact CG2-CB 4.39Å; I2070-F2074 CarbonylContact O-C 3.34Å; I2070-F2074 VanDerWaalsContact O-C 3.24Å; I2070-F2074 VanDerWaalsContact O-CA 3.27Å; I2070-F2074 WeakPolarHBondContact O-CA 3.18Å; I2070-F2074 WeakPolarHBondContact O-CB 2.99Å; I2070-F2074 PolarHBondContact O-N 2.85Å; F2074-L2076 PolarHBondContact O-N 3.22Å; F2074-F2077 WeakPolarHBondContact O-CB 3.04Å; F2074-F2077 PolarHBondContact O-N 3.03Å | ||
| 2075 | P | 79.3 | Confident | 89.6 | Confident | 115 Ų | 115 | 60 Ų | 60 | 75% | 0.747 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -12 | -177 | 26.5 | -36.4 | 0 | 0 | 0 | 114.6 | ||
| 2076 | L | 81 | Confident | 89.5 | Confident | 170 Ų | 170 | 62.4 Ų | 62.4 | 89% | 0.89 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 16.8 | 173.5 | -66.8 | 170.3 | 0 | 0 | 0 | 113.4 | F2074 | F2074-L2076 PolarHBondContact O-N 3.22Š|
| 2077 | F | 88.3 | Confident | 89.4 | Confident | 35 Ų | 35 | 62.3 Ų | 62.3 | 15% | 0.154 | 34% | 0.339 | C | S | . | . | trans | -68.4 | 132.5 | 177.4 | -168.3 | -101.4 | 0 | 0 | 0 | 111 | L2012 L2013 I2016 I2070 F2074 I2079 L2084 | L2012-F2077 HydrophobicContact CB-CZ 4.26Å; L2013-F2077 HydrophobicContact CD2-CE2 4.39Å; L2013-F2077 HydrophobicContact CD2-CZ 3.98Å; I2016-F2077 HydrophobicContact CD1-CD2 3.67Å; I2016-F2077 HydrophobicContact CD1-CE2 3.47Å; I2016-F2077 VanDerWaalsContact CD1-CE2 3.47Å; I2016-F2077 HydrophobicContact CD1-CZ 4.39Å; I2070-F2077 HydrophobicContact CG2-CB 3.69Å; I2070-F2077 HydrophobicContact CG2-CD1 3.97Å; I2070-F2077 HydrophobicContact CG2-CD2 4.32Å; I2070-F2077 HydrophobicContact CG2-CG 3.73Å; F2074-F2077 WeakPolarHBondContact O-CB 3.04Å; F2074-F2077 PolarHBondContact O-N 3.03Å; F2077-I2079 HydrophobicContact CD1-CB 4.27Å; F2077-I2079 WeakPolarHBondContact CD1-O 3.28Å; F2077-I2079 HydrophobicContact CE1-CB 4Å; F2077-I2079 HydrophobicContact CE1-CD1 4.49Å; F2077-I2079 HydrophobicContact CE1-CG1 4.35Å; F2077-I2079 PolarHBondContact O-N 2.88Å; F2077-L2084 HydrophobicContact CD1-CD2 4.26Å; F2077-L2084 HydrophobicContact CE1-CD1 4.12Å; F2077-L2084 HydrophobicContact CE1-CD2 3.74Å; F2077-L2084 HydrophobicContact CE1-CG 4.46Å; F2077-L2084 HydrophobicContact CZ-CD2 4.45Å | ||
| 2078 | P | 85.7 | Confident | 89.5 | Confident | 72 Ų | 72 | 62.2 Ų | 62.2 | 47% | 0.468 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -75.9 | 2.3 | -164.8 | 30.7 | -38 | 0 | 0 | 0 | 115.5 | V1959 | V1959-P2078 HydrophobicContact CG1-CB 4.43Å; V1959-P2078 VanDerWaalsContact CG2-O 3.25Å; V1959-P2078 WeakPolarHBondContact CG2-O 3.43Å |
| 2079 | I | 89.3 | Confident | 89.7 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -126.5 | 121.4 | 177.2 | -55.2 | 175.1 | 0 | 0 | 0 | 107.7 | L1954 V1959 W2008 L2012 F2077 S2081 F2083 L2084 L2087 | L1954-I2079 HydrophobicContact CD2-CD1 4.08Å; L1954-I2079 HydrophobicContact CD2-CG1 4.18Å; V1959-I2079 HydrophobicContact CG1-CD1 4.31Å; V1959-I2079 HydrophobicContact CG1-CG1 3.88Å; W2008-I2079 HydrophobicContact CH2-CD1 4.03Å; W2008-I2079 HydrophobicContact CZ3-CD1 4.17Å; L2012-I2079 HydrophobicContact CD1-CD1 4.04Å; F2077-I2079 HydrophobicContact CD1-CB 4.27Å; F2077-I2079 WeakPolarHBondContact CD1-O 3.28Å; F2077-I2079 HydrophobicContact CE1-CB 4Å; F2077-I2079 HydrophobicContact CE1-CD1 4.49Å; F2077-I2079 HydrophobicContact CE1-CG1 4.35Å; F2077-I2079 PolarHBondContact O-N 2.88Å; I2079-S2081 PolarHBondContact O-N 3.31Å; I2079-F2083 HydrophobicContact CG2-CB 4.27Å; I2079-F2083 HydrophobicContact CG2-CD1 3.93Å; I2079-F2083 HydrophobicContact CG2-CG 4.41Å; I2079-L2084 HydrophobicContact CB-CB 4.47Å; I2079-L2084 HydrophobicContact CD1-CD1 4.45Å; I2079-L2084 HydrophobicContact CG2-CB 3.98Å; I2079-L2087 HydrophobicContact CD1-CD1 4.18Å; I2079-L2087 HydrophobicContact CG2-CD1 4.18Å |
| 2080 | P | 87.5 | Confident | 89.6 | Confident | 68 Ų | 68 | 58.1 Ų | 58.1 | 44% | 0.442 | 32% | 0.319 | S | S | . | . | trans | -55.6 | 137.2 | 175.4 | -27 | 35.8 | 0 | 0 | 0 | 112.1 | M1957 F2083 L2084 | M1957-P2080 HydrophobicContact CE-CG 3.74Å; P2080-F2083 PolarHBondContact O-N 3.18Å; P2080-L2084 PolarHBondContact O-N 2.88Å | ||
| 2081 | S | 86.9 | Confident | 89.5 | Confident | 33 Ų | 33 | 58 Ų | 58 | 23% | 0.231 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -46.8 | -46.3 | -173.1 | 171.7 | 0 | 0 | 0 | 0 | 114.9 | C2067 S2071 I2079 F2083 L2084 K2085 | C2067-S2081 WeakPolarHBondContact CB-OG 3.34Å; S2071-S2081 VanDerWaalsContact OG-CB 3.32Å; S2071-S2081 WeakPolarHBondContact OG-CB 3.26Å; S2071-S2081 PolarHBondContact OG-OG 3.33Å; I2079-S2081 PolarHBondContact O-N 3.31Å; S2081-F2083 PolarHBondContact O-N 3.45Å; S2081-L2084 PolarHBondContact O-N 2.97Å; S2081-K2085 PolarHBondContact O-N 3.3Å |
| 2082 | P | 88.8 | Confident | 89.8 | Confident | 96 Ų | 96 | 55.4 Ų | 55.4 | 62% | 0.623 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.8 | -38.2 | 175.9 | -23.8 | 34.9 | 0 | 0 | 0 | 113.8 | K2085 D2086 | P2082-K2085 WeakPolarHBondContact O-CB 3.18Å; P2082-K2085 PolarHBondContact O-N 2.8Å; P2082-D2086 PolarHBondContact O-N 3.39Å; P2082-D2086 VanDerWaalsContact O-N 3.17Å |
| 2083 | F | 92.4 | Very high | 90 | Very high | 21 Ų | 21 | 48.2 Ų | 48.2 | 9% | 0.092 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -78.8 | -25.5 | 179.8 | -172.5 | -137 | 0 | 0 | 0 | 112.3 | N1950 K1953 L1954 M1957 I2079 P2080 S2081 D2086 L2087 | N1950-F2083 HydrophobicContact CB-CE2 4.4Å; N1950-F2083 HydrophobicContact CB-CZ 4.34Å; K1953-F2083 HydrophobicContact CB-CE1 4.11Å; K1953-F2083 HydrophobicContact CB-CE2 4.47Å; K1953-F2083 HydrophobicContact CB-CZ 3.67Å; K1953-F2083 HydrophobicContact CD-CE2 3.77Å; K1953-F2083 HydrophobicContact CD-CZ 3.81Å; K1953-F2083 HydrophobicContact CG-CZ 4.42Å; L1954-F2083 HydrophobicContact CD2-CD1 4.46Å; L1954-F2083 HydrophobicContact CD2-CE1 3.72Å; L1954-F2083 HydrophobicContact CD2-CZ 4.47Å; L1954-F2083 HydrophobicContact CG-CE1 3.85Å; L1954-F2083 HydrophobicContact CG-CZ 4.16Å; M1957-F2083 HydrophobicContact CE-CD1 4.19Å; M1957-F2083 HydrophobicContact SD-CD1 3.77Å; M1957-F2083 HydrophobicContact SD-CE1 3.75Å; I2079-F2083 HydrophobicContact CG2-CB 4.27Å; I2079-F2083 HydrophobicContact CG2-CD1 3.93Å; I2079-F2083 HydrophobicContact CG2-CG 4.41Å; P2080-F2083 PolarHBondContact O-N 3.18Å; S2081-F2083 PolarHBondContact O-N 3.45Å; F2083-D2086 HydrophobicContact CD2-CB 4.17Å; F2083-L2087 HydrophobicContact CD1-CD1 4.3Å; F2083-L2087 HydrophobicContact CD2-CG 4.46Å; F2083-L2087 HydrophobicContact CE1-CD1 4.08Å; F2083-L2087 HydrophobicContact CE2-CD1 4.37Å; F2083-L2087 HydrophobicContact CE2-CD2 4.38Å; F2083-L2087 HydrophobicContact CE2-CG 4.14Å; F2083-L2087 HydrophobicContact CZ-CD1 4.09Å; F2083-L2087 HydrophobicContact CZ-CD2 4.31Å; F2083-L2087 HydrophobicContact CZ-CG 4.26Å; F2083-L2087 WeakPolarHBondContact O-CD1 3.45Å; F2083-L2087 VanDerWaalsContact O-CG 3.29Å; F2083-L2087 WeakPolarHBondContact O-CG 3.26Å; F2083-L2087 PolarHBondContact O-N 3.32Å; F2083-L2087 VanDerWaalsContact O-N 3.13Å |
| 2084 | L | 93.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 168 | -179.2 | 62.3 | 0 | 0 | 0 | 111.2 | L2009 I2070 F2077 I2079 P2080 S2081 L2087 L2088 | L2009-L2084 HydrophobicContact CD2-CD1 4.47Å; I2070-L2084 HydrophobicContact CD1-CD2 3.67Å; F2077-L2084 HydrophobicContact CD1-CD2 4.26Å; F2077-L2084 HydrophobicContact CE1-CD1 4.12Å; F2077-L2084 HydrophobicContact CE1-CD2 3.74Å; F2077-L2084 HydrophobicContact CE1-CG 4.46Å; F2077-L2084 HydrophobicContact CZ-CD2 4.45Å; I2079-L2084 HydrophobicContact CB-CB 4.47Å; I2079-L2084 HydrophobicContact CD1-CD1 4.45Å; I2079-L2084 HydrophobicContact CG2-CB 3.98Å; P2080-L2084 PolarHBondContact O-N 2.88Å; S2081-L2084 PolarHBondContact O-N 2.97Å; L2084-L2087 PolarHBondContact O-N 2.91Å; L2084-L2088 HydrophobicContact CD1-CD1 4.25Å; L2084-L2088 HydrophobicContact CD1-CG 4.34Å; L2084-L2088 HydrophobicContact CG-CD1 4.02Å; L2084-L2088 WeakPolarHBondContact O-CB 2.96Å; L2084-L2088 WeakPolarHBondContact O-CG 3.33Å; L2084-L2088 PolarHBondContact O-N 3.4Å |
| 2085 | K | 94.4 | Very high | 90 | Very high | 65 Ų | 65 | 46.6 Ų | 46.6 | 28% | 0.283 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.1 | -49.2 | 173.8 | 176.2 | 173.1 | -176.2 | 164.2 | 0 | 111.4 | V2063 D2064 S2081 P2082 L2087 L2088 L2089 | V2063-K2085 HydrophobicContact CG1-CB 4.04Å; V2063-K2085 HydrophobicContact CG1-CG 3.85Å; D2064-K2085 VanDerWaalsContact OD1-CD 3.24Å; D2064-K2085 WeakPolarHBondContact OD1-CD 3.3Å; D2064-K2085 WeakPolarHBondContact OD1-CE 3.08Å; D2064-K2085 IonicContact OD1-NZ 3.22Å; D2064-K2085 PolarHBondContact OD1-NZ 2.93Å; D2064-K2085 IonicContact OD2-NZ 2.94Å; D2064-K2085 PolarHBondContact OD2-NZ 3.33Å; S2081-K2085 PolarHBondContact O-N 3.3Å; P2082-K2085 WeakPolarHBondContact O-CB 3.18Å; P2082-K2085 PolarHBondContact O-N 2.8Å; K2085-L2087 PolarHBondContact O-N 2.69Å; K2085-L2088 PolarHBondContact O-N 2.68Å; K2085-L2089 HydrophobicContact CG-CD1 3.83Å; K2085-L2089 HydrophobicContact CG-CG 4.5Å; K2085-L2089 WeakPolarHBondContact O-CB 3.47Å; K2085-L2089 WeakPolarHBondContact O-CG 3.44Å; K2085-L2089 PolarHBondContact O-N 3.15Å |
| 2086 | D | 92.8 | Very high | 90.4 | Very high | 89 Ų | 89 | 43 Ų | 43 | 48% | 0.476 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -53.8 | -48.5 | 174.4 | -84 | -9.7 | 0 | 0 | 0 | 112.9 | P2082 F2083 L2090 | P2082-D2086 PolarHBondContact O-N 3.39Å; P2082-D2086 VanDerWaalsContact O-N 3.17Å; F2083-D2086 HydrophobicContact CD2-CB 4.17Å; D2086-L2090 VanDerWaalsContact O-CB 3.23Å; D2086-L2090 WeakPolarHBondContact O-CB 3.24Å; D2086-L2090 PolarHBondContact O-N 3.45Å |
| 2087 | L | 94.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.8 | -37.6 | -177 | -73.3 | 168.1 | 0 | 0 | 0 | 112.7 | N1950 L1954 L2005 L2009 I2079 F2083 L2084 K2085 C2091 | N1950-L2087 HydrophobicContact CB-CD2 3.95Å; L1954-L2087 HydrophobicContact CD1-CD1 4.01Å; L1954-L2087 HydrophobicContact CD1-CD2 4.2Å; L1954-L2087 HydrophobicContact CD2-CD1 4.02Å; L1954-L2087 HydrophobicContact CG-CD1 4.31Å; L2005-L2087 HydrophobicContact CD2-CD2 4.48Å; L2009-L2087 HydrophobicContact CD1-CB 4.2Å; L2009-L2087 HydrophobicContact CD2-CB 4.3Å; I2079-L2087 HydrophobicContact CD1-CD1 4.18Å; I2079-L2087 HydrophobicContact CG2-CD1 4.18Å; F2083-L2087 HydrophobicContact CD1-CD1 4.3Å; F2083-L2087 HydrophobicContact CD2-CG 4.46Å; F2083-L2087 HydrophobicContact CE1-CD1 4.08Å; F2083-L2087 HydrophobicContact CE2-CD1 4.37Å; F2083-L2087 HydrophobicContact CE2-CD2 4.38Å; F2083-L2087 HydrophobicContact CE2-CG 4.14Å; F2083-L2087 HydrophobicContact CZ-CD1 4.09Å; F2083-L2087 HydrophobicContact CZ-CD2 4.31Å; F2083-L2087 HydrophobicContact CZ-CG 4.26Å; F2083-L2087 WeakPolarHBondContact O-CD1 3.45Å; F2083-L2087 VanDerWaalsContact O-CG 3.29Å; F2083-L2087 WeakPolarHBondContact O-CG 3.26Å; F2083-L2087 PolarHBondContact O-N 3.32Å; F2083-L2087 VanDerWaalsContact O-N 3.13Å; L2084-L2087 PolarHBondContact O-N 2.91Å; K2085-L2087 PolarHBondContact O-N 2.69Å; L2087-C2091 PolarHBondContact O-N 3.05Å; L2087-C2091 PolarHBondContact O-SG 2.92Å |
| 2088 | L | 96 | Very high | 91 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.3 | -49.8 | 175.2 | -74.2 | 170.3 | 0 | 0 | 0 | 111.1 | L2013 V2063 L2066 L2084 K2085 L2090 C2091 T2092 L2116 | L2013-L2088 HydrophobicContact CD1-CD2 3.96Å; V2063-L2088 HydrophobicContact CG1-CB 4.26Å; V2063-L2088 HydrophobicContact CG1-CD1 3.96Å; V2063-L2088 HydrophobicContact CG2-CB 4.18Å; V2063-L2088 HydrophobicContact CG2-CD1 4.39Å; L2066-L2088 HydrophobicContact CD2-CD1 4.16Å; L2084-L2088 HydrophobicContact CD1-CD1 4.25Å; L2084-L2088 HydrophobicContact CD1-CG 4.34Å; L2084-L2088 HydrophobicContact CG-CD1 4.02Å; L2084-L2088 WeakPolarHBondContact O-CB 2.96Å; L2084-L2088 WeakPolarHBondContact O-CG 3.33Å; L2084-L2088 PolarHBondContact O-N 3.4Å; K2085-L2088 PolarHBondContact O-N 2.68Å; L2088-L2090 PolarHBondContact O-N 3.07Å; L2088-C2091 PolarHBondContact O-N 2.91Å; L2088-C2091 VanDerWaalsContact O-N 3.14Å; L2088-T2092 PolarHBondContact O-N 2.81Å; L2088-T2092 PolarHBondContact O-OG1 2.81Å; L2088-L2116 HydrophobicContact CD2-CD1 4.07Å; L2088-L2116 HydrophobicContact CD2-CD2 3.8Å |
| 2089 | L | 94.3 | Very high | 91.2 | Very high | 42 Ų | 42 | 31.2 Ų | 31.2 | 22% | 0.22 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.1 | -41 | 179.2 | -67.8 | 173.5 | 0 | 0 | 0 | 111.8 | L2059 V2063 K2085 C2091 T2092 A2093 | L2059-L2089 HydrophobicContact CD2-CD2 4.07Å; L2059-L2089 HydrophobicContact CG-CD2 3.95Å; V2063-L2089 HydrophobicContact CG2-CD2 4.43Å; K2085-L2089 HydrophobicContact CG-CD1 3.83Å; K2085-L2089 HydrophobicContact CG-CG 4.5Å; K2085-L2089 WeakPolarHBondContact O-CB 3.47Å; K2085-L2089 WeakPolarHBondContact O-CG 3.44Å; K2085-L2089 PolarHBondContact O-N 3.15Å; L2089-C2091 PolarHBondContact O-N 2.61Å; L2089-C2091 VanDerWaalsContact O-N 3.13Å; L2089-T2092 PolarHBondContact O-N 2.83Å; L2089-T2092 VanDerWaalsContact O-N 3.14Å; L2089-A2093 WeakPolarHBondContact O-CB 3.33Å; L2089-A2093 PolarHBondContact O-N 3.41Å |
| 2090 | L | 92 | Very high | 90.9 | Very high | 22 Ų | 22 | 34.3 Ų | 34.3 | 12% | 0.115 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57 | -27.3 | 174.8 | 178.9 | 63.4 | 0 | 0 | 0 | 113.5 | L1943 R1946 D2086 L2088 | L1943-L2090 HydrophobicContact CD1-CD1 4.21Å; R1946-L2090 HydrophobicContact CB-CD1 4.35Å; D2086-L2090 VanDerWaalsContact O-CB 3.23Å; D2086-L2090 WeakPolarHBondContact O-CB 3.24Å; D2086-L2090 PolarHBondContact O-N 3.45Å; L2088-L2090 PolarHBondContact O-N 3.07Å |
| 2091 | C | 90.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -96.6 | -8.5 | -178.6 | -63.5 | 0 | 0 | 0 | 0 | 114.3 | A2006 L2087 L2088 L2089 L2116 | A2006-C2091 HydrophobicContact CB-CB 4.32Å; L2087-C2091 PolarHBondContact O-N 3.05Å; L2087-C2091 PolarHBondContact O-SG 2.92Å; L2088-C2091 PolarHBondContact O-N 2.91Å; L2088-C2091 VanDerWaalsContact O-N 3.14Å; L2089-C2091 PolarHBondContact O-N 2.61Å; L2089-C2091 VanDerWaalsContact O-N 3.13Å; C2091-L2116 HydrophobicContact CB-CD1 3.62Å |
| 2092 | T | 92.3 | Very high | 90.5 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -137.8 | -28.4 | -166.5 | 56.2 | 0 | 0 | 0 | 0 | 115.8 | L2088 L2089 V2095 L2116 L2120 | L2088-T2092 PolarHBondContact O-N 2.81Å; L2088-T2092 PolarHBondContact O-OG1 2.81Å; L2089-T2092 PolarHBondContact O-N 2.83Å; L2089-T2092 VanDerWaalsContact O-N 3.14Å; T2092-V2095 WeakPolarHBondContact O-CG2 3.48Å; T2092-L2116 HydrophobicContact CG2-CB 3.83Å; T2092-L2116 HydrophobicContact CG2-CD1 4.03Å; T2092-L2120 HydrophobicContact CG2-CD1 3.91Å |
| 2093 | A | 91.4 | Very high | 90.5 | Very high | 34 Ų | 34 | 35.8 Ų | 35.8 | 28% | 0.281 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -85.6 | 147.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L2059 L2089 V2095 | L2059-A2093 HydrophobicContact CD2-CB 3.82Å; L2089-A2093 WeakPolarHBondContact O-CB 3.33Å; L2089-A2093 PolarHBondContact O-N 3.41Å; A2093-V2095 VanDerWaalsContact C-N 3.31Å; A2093-V2095 PolarHBondContact O-N 2.9Å |
| 2094 | N | 88.8 | Confident | 90.4 | Very high | 90 Ų | 90 | 35.1 Ų | 35.1 | 48% | 0.481 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 52.8 | 41.2 | 172.1 | -79.3 | -67.2 | 0 | 0 | 0 | 114.5 | Q2096 R2105 Q2106 | N2094-Q2096 PolarHBondContact O-N 3.16Å; N2094-R2105 HydrophobicContact CB-CG 4.49Å; N2094-Q2106 CarbonylContact C-O 3.54Å; N2094-Q2106 WeakPolarHBondContact CA-O 3.04Å; N2094-Q2106 PolarHBondContact N-O 2.89Å |
| 2095 | V | 89.5 | Confident | 90.2 | Very high | 15 Ų | 15 | 38.2 Ų | 38.2 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 111.3 | -173.8 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | L1995 M1997 T2092 A2093 F2097 R2105 Q2106 | L1995-V2095 HydrophobicContact CD2-CG1 3.86Å; M1997-V2095 HydrophobicContact CE-CG1 3.67Å; M1997-V2095 HydrophobicContact CE-CG2 4.36Å; T2092-V2095 WeakPolarHBondContact O-CG2 3.48Å; A2093-V2095 VanDerWaalsContact C-N 3.31Å; A2093-V2095 PolarHBondContact O-N 2.9Å; V2095-F2097 WeakPolarHBondContact O-CD1 3.27Å; V2095-R2105 CarbonylContact O-C 3.58Å; V2095-R2105 WeakPolarHBondContact O-CA 3.21Å; V2095-Q2106 PolarHBondContact N-O 3.3Å; V2095-Q2106 VanDerWaalsContact N-O 3.11Å; V2095-Q2106 PolarHBondContact O-N 3.34Å |
| 2096 | Q | 88.9 | Confident | 90.1 | Very high | 39 Ų | 39 | 35.5 Ų | 35.5 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 144.5 | 171.9 | -70.4 | 174.5 | -47.2 | 0 | 0 | 112 | D1933 N1937 L1975 P1976 N2094 F2104 R2105 | D1933-Q2096 PolarHBondContact OD2-NE2 3.44Å; N1937-Q2096 PolarHBondContact O-NE2 2.85Å; L1975-Q2096 HydrophobicContact CD2-CB 4.11Å; P1976-Q2096 WeakPolarHBondContact CD-O 3.31Å; N2094-Q2096 PolarHBondContact O-N 3.16Å; Q2096-F2104 CarbonylContact C-O 3.46Å; Q2096-F2104 VanDerWaalsContact CA-O 3.31Å; Q2096-F2104 WeakPolarHBondContact CA-O 3.37Å; Q2096-R2105 HydrophobicContact CG-CB 4.3Å; Q2096-R2105 HydrophobicContact CG-CG 3.95Å |
| 2097 | F | 91.5 | Very high | 89.8 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 173.2 | -178.9 | 63.8 | -95.4 | 0 | 0 | 0 | 113.5 | L1924 F1930 P1976 L1978 L1995 V2095 Y2103 F2104 Q2106 | L1924-F2097 HydrophobicContact CD2-CE2 3.68Å; L1924-F2097 HydrophobicContact CD2-CZ 3.58Å; F1930-F2097 HydrophobicContact CD1-CE1 4.05Å; F1930-F2097 AromaticContact CD1-CZ 3.9Å; F1930-F2097 HydrophobicContact CD1-CZ 3.9Å; F1930-F2097 HydrophobicContact CE1-CE1 4.38Å; F1930-F2097 HydrophobicContact CE1-CZ 4.3Å; P1976-F2097 HydrophobicContact CB-CB 4.05Å; P1976-F2097 HydrophobicContact CG-CB 4.49Å; P1976-F2097 CarbonylContact O-C 3.25Å; P1976-F2097 VanDerWaalsContact O-CA 3.32Å; P1976-F2097 WeakPolarHBondContact O-CA 3.49Å; P1976-F2097 VanDerWaalsContact O-CB 3.23Å; P1976-F2097 WeakPolarHBondContact O-CB 3.41Å; L1978-F2097 HydrophobicContact CB-CD2 3.84Å; L1978-F2097 HydrophobicContact CB-CE2 3.92Å; L1978-F2097 HydrophobicContact CD2-CE2 3.74Å; L1978-F2097 HydrophobicContact CD2-CZ 4.3Å; L1978-F2097 HydrophobicContact CG-CE2 4.3Å; L1995-F2097 HydrophobicContact CD1-CB 3.55Å; L1995-F2097 HydrophobicContact CD1-CD1 4.23Å; L1995-F2097 HydrophobicContact CD1-CD2 4.08Å; L1995-F2097 HydrophobicContact CD1-CG 3.72Å; V2095-F2097 WeakPolarHBondContact O-CD1 3.27Å; F2097-Y2103 WeakPolarHBondContact O-CA 3.46Å; F2097-F2104 HydrophobicContact CD2-CB 4.05Å; F2097-F2104 HydrophobicContact CE1-CB 4.04Å; F2097-F2104 HydrophobicContact CE2-CB 3.52Å; F2097-F2104 HydrophobicContact CE2-CD2 4.19Å; F2097-F2104 HydrophobicContact CE2-CG 4.11Å; F2097-F2104 HydrophobicContact CZ-CB 3.52Å; F2097-F2104 HydrophobicContact CZ-CG 4.37Å; F2097-F2104 PolarHBondContact N-O 2.93Å; F2097-F2104 PolarHBondContact O-N 3.32Å; F2097-Q2106 HydrophobicContact CE1-CB 4.27Å |
| 2098 | T | 89 | Confident | 89.4 | Confident | 23 Ų | 23 | 36.6 Ų | 36.6 | 14% | 0.141 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 156.6 | 176.3 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | L1975 P1976 N1977 L1978 E2102 Y2103 | L1975-T2098 HydrophobicContact CB-CG2 4.14Å; L1975-T2098 HydrophobicContact CD1-CG2 3.86Å; P1976-T2098 PolarHBondContact O-N 2.85Å; P1976-T2098 PolarHBondContact O-OG1 2.87Å; N1977-T2098 WeakPolarHBondContact CA-O 3.4Å; L1978-T2098 PolarHBondContact N-O 3.18Å; T2098-E2102 CarbonylContact C-O 3.49Å; T2098-E2102 WeakPolarHBondContact CA-O 3.3Å; T2098-Y2103 HydrophobicContact CG2-CD1 3.47Å; T2098-Y2103 VanDerWaalsContact CG2-CD1 3.47Å; T2098-Y2103 HydrophobicContact CG2-CE1 3.59Å; T2098-Y2103 HydrophobicContact CG2-CG 4.39Å |
| 2099 | F | 90.2 | Very high | 89 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 122.8 | 167.2 | 174.2 | -111.8 | 0 | 0 | 0 | 111.3 | Y1916 K1917 M1920 L1921 L1924 L1978 G2101 E2102 F2104 | Y1916-F2099 HydrophobicContact CE1-CE2 4.04Å; Y1916-F2099 HydrophobicContact CE1-CZ 4.27Å; K1917-F2099 HydrophobicContact CG-CE1 4.1Å; K1917-F2099 HydrophobicContact CG-CZ 4.3Å; M1920-F2099 HydrophobicContact CB-CD1 4.23Å; M1920-F2099 HydrophobicContact CB-CD2 4.46Å; M1920-F2099 HydrophobicContact CB-CE1 3.49Å; M1920-F2099 VanDerWaalsContact CB-CE1 3.49Å; M1920-F2099 HydrophobicContact CB-CE2 3.78Å; M1920-F2099 HydrophobicContact CB-CZ 3.25Å; M1920-F2099 HydrophobicContact CE-CD2 4.49Å; M1920-F2099 HydrophobicContact CE-CE2 4.46Å; M1920-F2099 HydrophobicContact CG-CE1 4.32Å; M1920-F2099 HydrophobicContact CG-CE2 3.71Å; M1920-F2099 HydrophobicContact CG-CZ 3.58Å; L1921-F2099 HydrophobicContact CD2-CD1 4.23Å; L1921-F2099 HydrophobicContact CD2-CE1 4.21Å; L1921-F2099 HydrophobicContact CG-CE1 4.31Å; L1924-F2099 HydrophobicContact CD1-CB 4.17Å; L1924-F2099 HydrophobicContact CD1-CD1 3.91Å; L1924-F2099 HydrophobicContact CD1-CG 4.2Å; L1978-F2099 HydrophobicContact CB-CB 4.39Å; L1978-F2099 WeakPolarHBondContact O-CD2 3.48Å; F2099-G2101 PolarHBondContact O-N 2.87Å; F2099-E2102 PolarHBondContact N-O 3.29Å; F2099-E2102 WeakPolarHBondContact O-CB 3.41Å; F2099-E2102 PolarHBondContact O-N 3.21Å; F2099-F2104 HydrophobicContact CB-CD2 4.4Å; F2099-F2104 HydrophobicContact CB-CE2 4.2Å |
| 2100 | E | 83.2 | Confident | 88.9 | Confident | 69 Ų | 69 | 34.8 Ų | 34.8 | 32% | 0.322 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 24.7 | -177.9 | -76.9 | -86.1 | 137.7 | 0 | 0 | 114.3 | K1913 K1917 | K1913-E2100 VanDerWaalsContact CE-CD 3.43Å; K1913-E2100 WeakPolarHBondContact CE-OE1 2.93Å; K1913-E2100 WeakPolarHBondContact CE-OE2 3.48Å; K1913-E2100 IonicContact NZ-OE1 3.38Å; K1913-E2100 PolarHBondContact NZ-OE1 2.94Å; K1913-E2100 VanDerWaalsContact NZ-OE1 3.14Å; K1913-E2100 IonicContact NZ-OE2 2.95Å; K1913-E2100 PolarHBondContact NZ-OE2 3.49Å; K1917-E2100 HydrophobicContact CD-CB 4.37Å; K1917-E2100 HydrophobicContact CD-CG 4.04Å; K1917-E2100 HydrophobicContact CG-CG 4.3Å; K1917-E2100 IonicContact NZ-OE2 2.75Å |
| 2101 | G | 81.1 | Confident | 88.8 | Confident | 51 Ų | 51 | 33.8 Ų | 33.8 | 53% | 0.526 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 102.9 | -31.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | F2099 | F2099-G2101 PolarHBondContact O-N 2.87Š|
| 2102 | E | 86 | Confident | 88.6 | Confident | 93 Ų | 93 | 35.8 Ų | 35.8 | 44% | 0.435 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 157 | -179.5 | -65.6 | -55.9 | 132.3 | 0 | 0 | 112.8 | Q1932 T2098 F2099 F2104 | Q1932-E2102 PolarHBondContact NE2-OE2 2.91Å; T2098-E2102 CarbonylContact C-O 3.49Å; T2098-E2102 WeakPolarHBondContact CA-O 3.3Å; F2099-E2102 PolarHBondContact N-O 3.29Å; F2099-E2102 WeakPolarHBondContact O-CB 3.41Å; F2099-E2102 PolarHBondContact O-N 3.21Å; E2102-F2104 HydrophobicContact CB-CE2 3.64Å; E2102-F2104 HydrophobicContact CB-CZ 4.14Å |
| 2103 | Y | 88.3 | Confident | 88.2 | Confident | 84 Ų | 84 | 37.3 Ų | 37.3 | 33% | 0.329 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 140.9 | -173.6 | -56.5 | -87.3 | 0 | 0 | 0 | 113.6 | Q1932 D1933 I1938 L1975 F2097 T2098 | Q1932-Y2103 WeakPolarHBondContact CG-O 3.42Å; D1933-Y2103 PolarHBondContact N-O 3.37Å; I1938-Y2103 HydrophobicContact CD1-CD1 3.3Å; I1938-Y2103 HydrophobicContact CD1-CD2 4.08Å; I1938-Y2103 HydrophobicContact CD1-CE1 4.1Å; I1938-Y2103 HydrophobicContact CD1-CG 3.29Å; I1938-Y2103 HydrophobicContact CG2-CD1 4.48Å; L1975-Y2103 HydrophobicContact CD1-CD1 3.71Å; L1975-Y2103 HydrophobicContact CD1-CE1 4Å; F2097-Y2103 WeakPolarHBondContact O-CA 3.46Å; T2098-Y2103 HydrophobicContact CG2-CD1 3.47Å; T2098-Y2103 VanDerWaalsContact CG2-CD1 3.47Å; T2098-Y2103 HydrophobicContact CG2-CE1 3.59Å; T2098-Y2103 HydrophobicContact CG2-CG 4.39Å |
| 2104 | F | 90.7 | Very high | 88.1 | Confident | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.035 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 164.4 | -176.1 | -60.9 | -90.7 | 0 | 0 | 0 | 111.7 | L1921 L1924 L1931 Q1932 Q2096 F2097 F2099 E2102 | L1921-F2104 HydrophobicContact CD2-CZ 4.48Å; L1924-F2104 HydrophobicContact CB-CD1 4.19Å; L1924-F2104 HydrophobicContact CB-CE1 3.96Å; L1924-F2104 HydrophobicContact CB-CZ 4.45Å; L1924-F2104 HydrophobicContact CD1-CD1 4.35Å; L1924-F2104 HydrophobicContact CD1-CD2 4.06Å; L1924-F2104 HydrophobicContact CD1-CE1 4.1Å; L1924-F2104 HydrophobicContact CD1-CE2 3.79Å; L1924-F2104 HydrophobicContact CD1-CG 4.35Å; L1924-F2104 HydrophobicContact CD1-CZ 3.82Å; L1924-F2104 HydrophobicContact CD2-CB 4.43Å; L1924-F2104 HydrophobicContact CD2-CD1 4.12Å; L1924-F2104 HydrophobicContact CD2-CD2 4.49Å; L1924-F2104 HydrophobicContact CD2-CG 4.09Å; L1924-F2104 HydrophobicContact CG-CD1 4.46Å; L1924-F2104 HydrophobicContact CG-CE1 4.44Å; L1931-F2104 CarbonylContact O-C 3.57Å; L1931-F2104 VanDerWaalsContact O-CA 3.26Å; L1931-F2104 WeakPolarHBondContact O-CA 3.16Å; Q1932-F2104 HydrophobicContact CB-CD1 3.91Å; Q1932-F2104 HydrophobicContact CB-CE1 3.8Å; Q1932-F2104 HydrophobicContact CG-CD1 4.08Å; Q1932-F2104 HydrophobicContact CG-CE1 3.73Å; Q1932-F2104 HydrophobicContact CG-CZ 4.19Å; Q2096-F2104 CarbonylContact C-O 3.46Å; Q2096-F2104 VanDerWaalsContact CA-O 3.31Å; Q2096-F2104 WeakPolarHBondContact CA-O 3.37Å; F2097-F2104 HydrophobicContact CD2-CB 4.05Å; F2097-F2104 HydrophobicContact CE1-CB 4.04Å; F2097-F2104 HydrophobicContact CE2-CB 3.52Å; F2097-F2104 HydrophobicContact CE2-CD2 4.19Å; F2097-F2104 HydrophobicContact CE2-CG 4.11Å; F2097-F2104 HydrophobicContact CZ-CB 3.52Å; F2097-F2104 HydrophobicContact CZ-CG 4.37Å; F2097-F2104 PolarHBondContact N-O 2.93Å; F2097-F2104 PolarHBondContact O-N 3.32Å; F2099-F2104 HydrophobicContact CB-CD2 4.4Å; F2099-F2104 HydrophobicContact CB-CE2 4.2Å; E2102-F2104 HydrophobicContact CB-CE2 3.64Å; E2102-F2104 HydrophobicContact CB-CZ 4.14Å |
| 2105 | R | 89.5 | Confident | 88.2 | Confident | 65 Ų | 65 | 33 Ų | 33 | 25% | 0.245 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 128.4 | 177.1 | -165.6 | -171 | -53.2 | 166.2 | 3.6 | 110.5 | F1930 L1931 D1933 N2094 V2095 Q2096 | F1930-R2105 WeakPolarHBondContact CA-O 3.33Å; L1931-R2105 PolarHBondContact N-O 3.48Å; L1931-R2105 PolarHBondContact O-N 3.31Å; D1933-R2105 IonicContact OD1-CZ 3.8Å; D1933-R2105 IonicContact OD1-NH2 3.44Å; D1933-R2105 PolarHBondContact OD1-NH2 2.93Å; D1933-R2105 IonicContact OD2-CZ 2.7Å; D1933-R2105 VanDerWaalsContact OD2-CZ 3.3Å; D1933-R2105 IonicContact OD2-NE 2.69Å; D1933-R2105 PolarHBondContact OD2-NE 2.95Å; D1933-R2105 IonicContact OD2-NH2 3.59Å; D1933-R2105 PolarHBondContact OD2-NH2 3.17Å; N2094-R2105 HydrophobicContact CB-CG 4.49Å; V2095-R2105 CarbonylContact O-C 3.58Å; V2095-R2105 WeakPolarHBondContact O-CA 3.21Å; Q2096-R2105 HydrophobicContact CG-CB 4.3Å; Q2096-R2105 HydrophobicContact CG-CG 3.95Å |
| 2106 | Q | 90.7 | Very high | 88.4 | Confident | 9 Ų | 9 | 32.3 Ų | 32.3 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 120.9 | 169.3 | -175.7 | 173.3 | -11.8 | 0 | 0 | 109.8 | K1929 F1930 N2094 V2095 F2097 D2108 V2110 A2111 | K1929-Q2106 CarbonylContact O-C 3.31Å; K1929-Q2106 VanDerWaalsContact O-CA 3.3Å; K1929-Q2106 WeakPolarHBondContact O-CA 3.1Å; K1929-Q2106 WeakPolarHBondContact O-CG 3.23Å; F1930-Q2106 HydrophobicContact CD1-CB 3.86Å; F1930-Q2106 HydrophobicContact CD1-CG 4.03Å; F1930-Q2106 HydrophobicContact CE1-CB 3.86Å; F1930-Q2106 HydrophobicContact CE1-CG 3.74Å; N2094-Q2106 CarbonylContact C-O 3.54Å; N2094-Q2106 WeakPolarHBondContact CA-O 3.04Å; N2094-Q2106 PolarHBondContact N-O 2.89Å; V2095-Q2106 PolarHBondContact N-O 3.3Å; V2095-Q2106 VanDerWaalsContact N-O 3.11Å; V2095-Q2106 PolarHBondContact O-N 3.34Å; F2097-Q2106 HydrophobicContact CE1-CB 4.27Å; Q2106-D2108 WeakPolarHBondContact CG-O 3.18Å; Q2106-D2108 PolarHBondContact NE2-O 3.13Å; Q2106-V2110 PolarHBondContact NE2-O 2.8Å; Q2106-A2111 VanDerWaalsContact OE1-CB 3.3Å |
| 2107 | V | 86.6 | Confident | 88.5 | Confident | 52 Ų | 52 | 30.4 Ų | 30.4 | 32% | 0.315 | 17% | 0.171 | S | C | . | . | trans | -99 | -28 | -174.7 | -66.7 | 0 | 0 | 0 | 0 | 113.9 | K1929 L1931 | K1929-V2107 PolarHBondContact O-N 3.43Å; L1931-V2107 HydrophobicContact CD1-CG1 3.81Å; L1931-V2107 HydrophobicContact CG-CG1 4.02Å; L1931-V2107 HydrophobicContact CG-CG2 4.45Å | ||
| 2108 | D | 86 | Confident | 88.5 | Confident | 60 Ų | 60 | 32.6 Ų | 32.6 | 32% | 0.321 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -133.4 | 158.6 | -178.1 | -177.1 | 37.6 | 0 | 0 | 0 | 112.8 | K1929 Q2106 | K1929-D2108 HydrophobicContact CD-CB 4.1Å; K1929-D2108 IonicContact NZ-OD2 2.67Å; K1929-D2108 PolarHBondContact NZ-OD2 3.13Å; Q2106-D2108 WeakPolarHBondContact CG-O 3.18Å; Q2106-D2108 PolarHBondContact NE2-O 3.13Å |
| 2109 | G | 89.4 | Confident | 88.7 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 69.5 | -152 | -173 | 0 | 0 | 0 | 0 | 0 | 113.3 | V2057 | V2057-G2109 WeakPolarHBondContact O-CA 3.28Š|
| 2110 | V | 92.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | trans | -130.2 | 140.6 | 177.4 | -71 | 0 | 0 | 0 | 0 | 111.5 | F2054 V2057 L2059 Q2106 M2112 L2120 | F2054-V2110 HydrophobicContact CB-CG2 4.43Å; F2054-V2110 HydrophobicContact CD1-CG2 4.07Å; F2054-V2110 WeakPolarHBondContact O-CG2 3.06Å; F2054-V2110 PolarHBondContact O-N 3.02Å; V2057-V2110 HydrophobicContact CB-CG2 4.29Å; V2057-V2110 HydrophobicContact CG2-CG2 3.93Å; L2059-V2110 HydrophobicContact CD1-CG1 3.91Å; Q2106-V2110 PolarHBondContact NE2-O 2.8Å; V2110-M2112 PolarHBondContact O-N 2.85Å; V2110-L2120 HydrophobicContact CG1-CB 4.37Å; V2110-L2120 HydrophobicContact CG1-CD1 4Å | ||
| 2111 | A | 88.9 | Confident | 89.4 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 2% | 0.017 | 16% | 0.164 | C | C | . | . | trans | -70.4 | 124 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1995 Q2106 G2113 S2114 | L1995-A2111 HydrophobicContact CD2-CB 3.8Å; Q2106-A2111 VanDerWaalsContact OE1-CB 3.3Å; A2111-G2113 PolarHBondContact O-N 3.36Å; A2111-S2114 WeakPolarHBondContact O-CB 3.2Å; A2111-S2114 PolarHBondContact O-N 2.76Å | ||
| 2112 | M | 85.8 | Confident | 89.9 | Confident | 43 Ų | 43 | 26.1 Ų | 26.1 | 21% | 0.212 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 96.7 | 174.4 | -62.4 | -163.1 | 86.6 | 0 | 0 | 110.6 | R1992 P1993 I1994 L1995 F2054 V2110 | R1992-M2112 HydrophobicContact CG-CE 4.18Å; R1992-M2112 HydrophobicContact CG-SD 4.34Å; P1993-M2112 HydrophobicContact CG-SD 4.31Å; P1993-M2112 WeakPolarHBondContact O-CB 3.24Å; I1994-M2112 WeakPolarHBondContact CA-O 2.97Å; L1995-M2112 PolarHBondContact N-O 3.14Å; F2054-M2112 HydrophobicContact CB-CE 4.46Å; F2054-M2112 HydrophobicContact CB-CG 3.75Å; F2054-M2112 HydrophobicContact CB-SD 4.37Å; F2054-M2112 HydrophobicContact CD1-CG 4.32Å; F2054-M2112 HydrophobicContact CD2-CE 3.79Å; F2054-M2112 HydrophobicContact CE2-CE 4.25Å; F2054-M2112 HydrophobicContact CG-CE 4.09Å; F2054-M2112 HydrophobicContact CG-CG 3.99Å; V2110-M2112 PolarHBondContact O-N 2.85Å |
| 2113 | G | 85.1 | Confident | 90.4 | Very high | 36 Ų | 36 | 21.8 Ų | 21.8 | 37% | 0.371 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 125.2 | -12.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114 | A2111 | A2111-G2113 PolarHBondContact O-N 3.36Š|
| 2114 | S | 89.9 | Confident | 90.6 | Very high | 6 Ų | 6 | 17.9 Ų | 17.9 | 4% | 0.042 | 11% | 0.105 | C | C | . | . | trans | -65.7 | 139 | 164.5 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | A2111 L2116 G2117 P2118 | A2111-S2114 WeakPolarHBondContact O-CB 3.2Å; A2111-S2114 PolarHBondContact O-N 2.76Å; S2114-L2116 PolarHBondContact O-N 2.95Å; S2114-L2116 PolarHBondContact OG-N 2.81Å; S2114-G2117 PolarHBondContact O-N 3.26Å; S2114-P2118 WeakPolarHBondContact O-CD 3.41Å | ||
| 2115 | P | 90.1 | Very high | 90.7 | Very high | 28 Ų | 28 | 17.5 Ų | 17.5 | 18% | 0.182 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -56 | -37 | 172.9 | -26 | 35.4 | 0 | 0 | 0 | 113.5 | H2003 A2006 K2007 V2010 | H2003-P2115 VanDerWaalsContact CE1-CG 3.4Å; H2003-P2115 WeakPolarHBondContact CE1-CG 3.02Å; A2006-P2115 HydrophobicContact CB-CB 4.02Å; A2006-P2115 HydrophobicContact CB-CG 3.88Å; K2007-P2115 HydrophobicContact CG-CB 4.2Å; K2007-P2115 HydrophobicContact CG-CG 4.07Å; V2010-P2115 HydrophobicContact CG2-CB 4.29Å; V2010-P2115 WeakPolarHBondContact CG2-O 3.45Å |
| 2116 | L | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -80.8 | -25.3 | -176.2 | -81.5 | 164.4 | 0 | 0 | 0 | 114.1 | A2006 L2009 V2010 L2088 C2091 T2092 S2114 L2119 L2120 | A2006-L2116 HydrophobicContact CB-CD1 4.06Å; A2006-L2116 HydrophobicContact CB-CG 4.29Å; L2009-L2116 HydrophobicContact CB-CD1 4.35Å; L2009-L2116 HydrophobicContact CB-CD2 4.1Å; L2009-L2116 HydrophobicContact CD1-CD1 4.06Å; V2010-L2116 HydrophobicContact CG2-CD2 3.65Å; V2010-L2116 HydrophobicContact CG2-CG 3.94Å; L2088-L2116 HydrophobicContact CD2-CD1 4.07Å; L2088-L2116 HydrophobicContact CD2-CD2 3.8Å; C2091-L2116 HydrophobicContact CB-CD1 3.62Å; T2092-L2116 HydrophobicContact CG2-CB 3.83Å; T2092-L2116 HydrophobicContact CG2-CD1 4.03Å; S2114-L2116 PolarHBondContact O-N 2.95Å; S2114-L2116 PolarHBondContact OG-N 2.81Å; L2116-L2119 PolarHBondContact O-N 2.98Å; L2116-L2120 PolarHBondContact O-N 3.07Å; L2116-L2120 VanDerWaalsContact O-N 3.11Å |
| 2117 | G | 91.2 | Very high | 91 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -52.4 | -49.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S2114 L2119 L2120 A2121 | S2114-G2117 PolarHBondContact O-N 3.26Å; G2117-L2119 VanDerWaalsContact C-N 3.29Å; G2117-L2119 PolarHBondContact O-N 3.2Å; G2117-L2120 PolarHBondContact O-N 3.2Å; G2117-A2121 WeakPolarHBondContact O-CB 3.39Å; G2117-A2121 PolarHBondContact O-N 3.45Å |
| 2118 | P | 92.4 | Very high | 91.2 | Very high | 47 Ų | 47 | 14.3 Ų | 14.3 | 31% | 0.305 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -63.9 | -29.1 | 178.1 | -23.5 | 34.4 | 0 | 0 | 0 | 114.4 | F2054 S2114 E2122 M2146 | F2054-P2118 HydrophobicContact CE1-CB 4.44Å; F2054-P2118 HydrophobicContact CE1-CG 4.14Å; S2114-P2118 WeakPolarHBondContact O-CD 3.41Å; P2118-E2122 PolarHBondContact O-N 3.35Å; P2118-M2146 HydrophobicContact CB-CE 3.68Å; P2118-M2146 HydrophobicContact CB-SD 4.39Å |
| 2119 | L | 93.5 | Very high | 91.6 | Very high | 5 Ų | 5 | 11.6 Ų | 11.6 | 3% | 0.026 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -73.5 | -46.2 | 178.2 | -177.1 | 147.3 | 0 | 0 | 0 | 110.6 | L2013 L2066 L2116 G2117 E2122 V2123 | L2013-L2119 HydrophobicContact CB-CD1 3.75Å; L2013-L2119 HydrophobicContact CB-CD2 4.4Å; L2013-L2119 HydrophobicContact CD1-CD2 4.25Å; L2066-L2119 HydrophobicContact CD2-CD2 4.36Å; L2116-L2119 PolarHBondContact O-N 2.98Å; G2117-L2119 VanDerWaalsContact C-N 3.29Å; G2117-L2119 PolarHBondContact O-N 3.2Å; L2119-E2122 PolarHBondContact O-N 3.23Å; L2119-V2123 HydrophobicContact CD2-CG2 4.19Å; L2119-V2123 VanDerWaalsContact O-CG2 3.32Å; L2119-V2123 WeakPolarHBondContact O-CG2 3.33Å; L2119-V2123 PolarHBondContact O-N 3.09Å |
| 2120 | L | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.2 | -37.4 | 178.6 | -65 | 174 | 0 | 0 | 0 | 111.9 | L2059 T2062 V2063 L2066 T2092 V2110 L2116 G2117 E2122 V2123 F2124 | L2059-L2120 HydrophobicContact CD1-CD1 3.79Å; T2062-L2120 HydrophobicContact CG2-CB 4.23Å; T2062-L2120 HydrophobicContact CG2-CD2 4.37Å; T2062-L2120 VanDerWaalsContact CG2-O 3.31Å; T2062-L2120 WeakPolarHBondContact CG2-O 3.03Å; V2063-L2120 HydrophobicContact CG2-CD2 4.26Å; L2066-L2120 HydrophobicContact CD2-CD2 4.28Å; T2092-L2120 HydrophobicContact CG2-CD1 3.91Å; V2110-L2120 HydrophobicContact CG1-CB 4.37Å; V2110-L2120 HydrophobicContact CG1-CD1 4Å; L2116-L2120 PolarHBondContact O-N 3.07Å; L2116-L2120 VanDerWaalsContact O-N 3.11Å; G2117-L2120 PolarHBondContact O-N 3.2Å; L2120-E2122 PolarHBondContact O-N 2.73Å; L2120-V2123 PolarHBondContact O-N 2.96Å; L2120-F2124 PolarHBondContact O-N 2.92Å |
| 2121 | A | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.1 | -41.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L2053 F2054 V2057 G2117 M2125 | L2053-A2121 HydrophobicContact CD2-CB 4.13Å; L2053-A2121 HydrophobicContact CG-CB 4.21Å; F2054-A2121 HydrophobicContact CE1-CB 4.38Å; V2057-A2121 HydrophobicContact CG2-CB 4.22Å; G2117-A2121 WeakPolarHBondContact O-CB 3.39Å; G2117-A2121 PolarHBondContact O-N 3.45Å; A2121-M2125 WeakPolarHBondContact O-CG 3.18Å; A2121-M2125 PolarHBondContact O-N 2.75Å |
| 2122 | E | 93.1 | Very high | 91.6 | Very high | 7 Ų | 7 | 19.9 Ų | 19.9 | 3% | 0.033 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.4 | -37.5 | 174.1 | -82.5 | -176.8 | -150.9 | 0 | 0 | 113.1 | R2017 S2024 P2118 L2119 L2120 M2125 S2126 M2146 | R2017-E2122 IonicContact CZ-OE1 3.42Å; R2017-E2122 IonicContact CZ-OE2 3.21Å; R2017-E2122 IonicContact NE-OE1 2.85Å; R2017-E2122 IonicContact NE-OE2 2.93Å; R2017-E2122 PolarHBondContact NE-OE2 3.01Å; R2017-E2122 IonicContact NH2-OE1 3.93Å; R2017-E2122 PolarHBondContact NH2-OE1 2.9Å; R2017-E2122 IonicContact NH2-OE2 2.66Å; R2017-E2122 PolarHBondContact NH2-OE2 3.04Å; R2017-E2122 VanDerWaalsContact NH2-OE2 3.08Å; S2024-E2122 PolarHBondContact OG-OE2 3.22Å; S2024-E2122 VanDerWaalsContact OG-OE2 3.06Å; P2118-E2122 PolarHBondContact O-N 3.35Å; L2119-E2122 PolarHBondContact O-N 3.23Å; L2120-E2122 PolarHBondContact O-N 2.73Å; E2122-M2125 PolarHBondContact O-N 3.36Å; E2122-S2126 WeakPolarHBondContact O-CB 3.25Å; E2122-S2126 PolarHBondContact O-N 3.41Å; E2122-S2126 PolarHBondContact O-OG 3.16Å; E2122-M2146 HydrophobicContact CG-CE 4.05Å; E2122-M2146 HydrophobicContact CG-SD 3.97Å; E2122-M2146 WeakPolarHBondContact OE1-CE 3.22Å |
| 2123 | V | 94.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.4 | -45.1 | 176.8 | 167.2 | 0 | 0 | 0 | 0 | 111.2 | L2020 T2062 F2065 L2066 L2119 L2120 S2126 Y2127 | L2020-V2123 HydrophobicContact CD2-CG1 4.25Å; L2020-V2123 HydrophobicContact CD2-CG2 4.13Å; T2062-V2123 HydrophobicContact CG2-CB 4.32Å; T2062-V2123 HydrophobicContact CG2-CG1 4.05Å; F2065-V2123 HydrophobicContact CD1-CG1 3.88Å; F2065-V2123 HydrophobicContact CE1-CG1 4.25Å; L2066-V2123 HydrophobicContact CB-CG1 4.08Å; L2066-V2123 HydrophobicContact CD1-CG1 4.36Å; L2066-V2123 HydrophobicContact CD1-CG2 4.14Å; L2119-V2123 HydrophobicContact CD2-CG2 4.19Å; L2119-V2123 VanDerWaalsContact O-CG2 3.32Å; L2119-V2123 WeakPolarHBondContact O-CG2 3.33Å; L2119-V2123 PolarHBondContact O-N 3.09Å; L2120-V2123 PolarHBondContact O-N 2.96Å; V2123-S2126 WeakPolarHBondContact O-CA 3.29Å; V2123-S2126 WeakPolarHBondContact O-CB 3.25Å; V2123-S2126 PolarHBondContact O-N 2.84Å; V2123-Y2127 PolarHBondContact O-N 2.76Å |
| 2124 | F | 93.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.009 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.8 | -44.2 | 177.7 | 178.1 | -137.5 | 0 | 0 | 0 | 112.2 | L2053 V2057 P2058 T2062 L2120 S2126 Y2127 V2128 Q2170 I2173 | L2053-F2124 HydrophobicContact CD1-CD1 4.5Å; V2057-F2124 HydrophobicContact CB-CD1 4.42Å; V2057-F2124 HydrophobicContact CG1-CB 4.01Å; V2057-F2124 HydrophobicContact CG1-CD1 4.18Å; V2057-F2124 HydrophobicContact CG1-CG 4.27Å; V2057-F2124 HydrophobicContact CG2-CD1 4.4Å; P2058-F2124 HydrophobicContact CG-CD1 4.48Å; P2058-F2124 HydrophobicContact CG-CD2 4.03Å; P2058-F2124 HydrophobicContact CG-CE1 4Å; P2058-F2124 HydrophobicContact CG-CE2 3.54Å; P2058-F2124 HydrophobicContact CG-CG 4.5Å; P2058-F2124 HydrophobicContact CG-CZ 3.53Å; T2062-F2124 HydrophobicContact CG2-CB 3.8Å; L2120-F2124 PolarHBondContact O-N 2.92Å; F2124-S2126 PolarHBondContact O-N 3.38Å; F2124-Y2127 HydrophobicContact CD2-CD1 4.19Å; F2124-Y2127 HydrophobicContact CE2-CD1 4.09Å; F2124-Y2127 WeakPolarHBondContact O-CB 3.43Å; F2124-Y2127 PolarHBondContact O-N 3.15Å; F2124-Y2127 VanDerWaalsContact O-N 3.1Å; F2124-V2128 HydrophobicContact CE2-CG2 4.27Å; F2124-V2128 HydrophobicContact CZ-CG2 4.49Å; F2124-V2128 PolarHBondContact O-N 2.92Å; F2124-V2128 VanDerWaalsContact O-N 3.17Å; F2124-Q2170 HydrophobicContact CZ-CB 4.23Å; F2124-Q2170 HydrophobicContact CZ-CG 4.19Å; F2124-I2173 HydrophobicContact CD1-CD1 3.97Å; F2124-I2173 HydrophobicContact CE1-CD1 3.27Å; F2124-I2173 HydrophobicContact CE1-CG1 3.87Å; F2124-I2173 HydrophobicContact CZ-CD1 3.89Å; F2124-I2173 HydrophobicContact CZ-CG1 4.38Å |
| 2125 | M | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.1 | -28.4 | 173.5 | -69.7 | -59.4 | -60 | 0 | 0 | 112.6 | V2050 L2053 A2121 E2122 V2128 E2129 I2149 I2173 M2175 | V2050-M2125 HydrophobicContact CG2-CE 3.83Å; V2050-M2125 HydrophobicContact CG2-SD 4.04Å; L2053-M2125 HydrophobicContact CD1-CG 4.03Å; L2053-M2125 HydrophobicContact CD1-SD 4.06Å; L2053-M2125 HydrophobicContact CD2-CG 4.25Å; A2121-M2125 WeakPolarHBondContact O-CG 3.18Å; A2121-M2125 PolarHBondContact O-N 2.75Å; E2122-M2125 PolarHBondContact O-N 3.36Å; M2125-V2128 PolarHBondContact O-N 2.6Å; M2125-E2129 WeakPolarHBondContact O-CB 3.39Å; M2125-E2129 WeakPolarHBondContact O-CG 3.29Å; M2125-E2129 PolarHBondContact O-N 2.69Å; M2125-I2149 HydrophobicContact CE-CD1 4.06Å; M2125-I2173 HydrophobicContact SD-CD1 3.75Å; M2125-M2175 HydrophobicContact CE-CE 3.87Å |
| 2126 | S | 92.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.014 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -71.9 | -27.9 | 174 | -51.8 | 0 | 0 | 0 | 0 | 112.8 | C2021 E2122 V2123 F2124 N2130 | C2021-S2126 WeakPolarHBondContact CA-OG 3.11Å; C2021-S2126 PolarHBondContact SG-OG 2.9Å; E2122-S2126 WeakPolarHBondContact O-CB 3.25Å; E2122-S2126 PolarHBondContact O-N 3.41Å; E2122-S2126 PolarHBondContact O-OG 3.16Å; V2123-S2126 WeakPolarHBondContact O-CA 3.29Å; V2123-S2126 WeakPolarHBondContact O-CB 3.25Å; V2123-S2126 PolarHBondContact O-N 2.84Å; F2124-S2126 PolarHBondContact O-N 3.38Å; S2126-N2130 WeakPolarHBondContact O-CB 3.37Å; S2126-N2130 PolarHBondContact O-N 3.26Å; S2126-N2130 PolarHBondContact O-ND2 3.47Å |
| 2127 | Y | 93.1 | Very high | 91.6 | Very high | 56 Ų | 56 | 27.3 Ų | 27.3 | 22% | 0.22 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.6 | -47 | 168.4 | 164.3 | -95.7 | 0 | 0 | 0 | 110.8 | F2065 V2123 F2124 E2129 N2130 M2131 V2169 | F2065-Y2127 HydrophobicContact CB-CD2 4.46Å; F2065-Y2127 AromaticContact CD2-CD2 3.73Å; F2065-Y2127 HydrophobicContact CD2-CD2 3.73Å; F2065-Y2127 HydrophobicContact CE2-CD2 4.04Å; F2065-Y2127 AromaticContact CG-CD2 3.98Å; F2065-Y2127 HydrophobicContact CG-CD2 3.98Å; F2065-Y2127 HydrophobicContact CG-CG 4.45Å; V2123-Y2127 PolarHBondContact O-N 2.76Å; F2124-Y2127 HydrophobicContact CD2-CD1 4.19Å; F2124-Y2127 HydrophobicContact CE2-CD1 4.09Å; F2124-Y2127 WeakPolarHBondContact O-CB 3.43Å; F2124-Y2127 PolarHBondContact O-N 3.15Å; F2124-Y2127 VanDerWaalsContact O-N 3.1Å; Y2127-E2129 VanDerWaalsContact C-N 3.35Å; Y2127-E2129 PolarHBondContact O-N 3.21Å; Y2127-N2130 PolarHBondContact O-N 3.43Å; Y2127-M2131 HydrophobicContact CD2-CE 4.16Å; Y2127-M2131 HydrophobicContact CE2-CE 3.51Å; Y2127-M2131 HydrophobicContact CE2-CG 4.33Å; Y2127-M2131 WeakPolarHBondContact O-CG 3.49Å; Y2127-M2131 PolarHBondContact O-N 2.92Å; Y2127-V2169 HydrophobicContact CD1-CG1 4.41Å; Y2127-V2169 HydrophobicContact CE1-CG1 3.87Å |
| 2128 | V | 91.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 175.5 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | F2124 M2125 M2131 T2132 L2166 V2169 M2175 | F2124-V2128 HydrophobicContact CE2-CG2 4.27Å; F2124-V2128 HydrophobicContact CZ-CG2 4.49Å; F2124-V2128 PolarHBondContact O-N 2.92Å; F2124-V2128 VanDerWaalsContact O-N 3.17Å; M2125-V2128 PolarHBondContact O-N 2.6Å; V2128-M2131 PolarHBondContact O-N 2.73Å; V2128-T2132 PolarHBondContact O-N 2.65Å; V2128-T2132 PolarHBondContact O-OG1 2.87Å; V2128-L2166 HydrophobicContact CG1-CD2 3.74Å; V2128-V2169 HydrophobicContact CG1-CB 4.37Å; V2128-V2169 HydrophobicContact CG1-CG2 4.17Å; V2128-V2169 HydrophobicContact CG2-CB 4.47Å; V2128-V2169 HydrophobicContact CG2-CG1 4.14Å; V2128-M2175 HydrophobicContact CG1-CE 4.14Å |
| 2129 | E | 93.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.7 | -35.1 | 177.3 | -73.7 | 165.8 | 160.7 | 0 | 0 | 113 | F2023 M2125 Y2127 T2132 S2133 I2136 Y2142 R2144 | F2023-E2129 HydrophobicContact CD2-CB 3.94Å; F2023-E2129 HydrophobicContact CD2-CG 4.17Å; F2023-E2129 HydrophobicContact CE2-CB 4.21Å; M2125-E2129 WeakPolarHBondContact O-CB 3.39Å; M2125-E2129 WeakPolarHBondContact O-CG 3.29Å; M2125-E2129 PolarHBondContact O-N 2.69Å; Y2127-E2129 VanDerWaalsContact C-N 3.35Å; Y2127-E2129 PolarHBondContact O-N 3.21Å; E2129-T2132 PolarHBondContact O-N 2.72Å; E2129-S2133 PolarHBondContact O-N 3.21Å; E2129-I2136 HydrophobicContact CB-CD1 4.29Å; E2129-I2136 HydrophobicContact CG-CD1 4.27Å; E2129-Y2142 HydrophobicContact CG-CE1 3.96Å; E2129-Y2142 WeakPolarHBondContact CG-OH 3.42Å; E2129-Y2142 VanDerWaalsContact OE1-CE1 3.23Å; E2129-Y2142 WeakPolarHBondContact OE1-CE1 3.33Å; E2129-Y2142 PolarHBondContact OE1-OH 3.05Å; E2129-R2144 IonicContact OE1-CZ 3.55Å; E2129-R2144 IonicContact OE1-NE 3.48Å; E2129-R2144 PolarHBondContact OE1-NE 2.94Å; E2129-R2144 IonicContact OE1-NH2 2.8Å; E2129-R2144 PolarHBondContact OE1-NH2 2.72Å; E2129-R2144 IonicContact OE2-CZ 2.66Å; E2129-R2144 IonicContact OE2-NE 3.33Å; E2129-R2144 IonicContact OE2-NH2 3.65Å; E2129-R2144 PolarHBondContact OE2-NH2 2.93Å |
| 2130 | N | 90 | Very high | 91.3 | Very high | 71 Ų | 71 | 33.7 Ų | 33.7 | 38% | 0.38 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -72 | -35.3 | 173.9 | -74.2 | -20.8 | 0 | 0 | 0 | 112.3 | S2126 Y2127 T2132 S2133 | S2126-N2130 WeakPolarHBondContact O-CB 3.37Å; S2126-N2130 PolarHBondContact O-N 3.26Å; S2126-N2130 PolarHBondContact O-ND2 3.47Å; Y2127-N2130 PolarHBondContact O-N 3.43Å; N2130-T2132 PolarHBondContact O-N 2.95Å; N2130-S2133 PolarHBondContact O-OG 2.72Å |
| 2131 | M | 90.4 | Very high | 91.2 | Very high | 106 Ų | 106 | 34.4 Ų | 34.4 | 52% | 0.522 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -1.4 | 176.7 | -66.6 | -62.3 | 179.8 | 0 | 0 | 113.8 | Y2127 V2128 V2169 | Y2127-M2131 HydrophobicContact CD2-CE 4.16Å; Y2127-M2131 HydrophobicContact CE2-CE 3.51Å; Y2127-M2131 HydrophobicContact CE2-CG 4.33Å; Y2127-M2131 WeakPolarHBondContact O-CG 3.49Å; Y2127-M2131 PolarHBondContact O-N 2.92Å; V2128-M2131 PolarHBondContact O-N 2.73Å; M2131-V2169 HydrophobicContact CB-CG1 4.32Å; M2131-V2169 HydrophobicContact CB-CG2 4.43Å; M2131-V2169 HydrophobicContact CG-CG1 4.48Å |
| 2132 | T | 89.9 | Confident | 91.2 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 3% | 0.025 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134.8 | 17.2 | -178.2 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | V2128 E2129 N2130 D2134 L2135 I2136 K2165 L2166 V2169 | V2128-T2132 PolarHBondContact O-N 2.65Å; V2128-T2132 PolarHBondContact O-OG1 2.87Å; E2129-T2132 PolarHBondContact O-N 2.72Å; N2130-T2132 PolarHBondContact O-N 2.95Å; T2132-D2134 PolarHBondContact O-N 2.88Å; T2132-D2134 VanDerWaalsContact O-N 3.09Å; T2132-L2135 PolarHBondContact O-N 3.23Å; T2132-I2136 WeakPolarHBondContact O-CG1 3.38Å; T2132-I2136 PolarHBondContact O-N 2.78Å; T2132-I2136 VanDerWaalsContact O-N 3.15Å; T2132-I2136 WeakPolarHBondContact OG1-CD1 3.3Å; T2132-K2165 HydrophobicContact CG2-CG 3.98Å; T2132-L2166 HydrophobicContact CG2-CD2 3.93Å; T2132-L2166 HydrophobicContact CG2-CG 4.41Å; T2132-L2166 WeakPolarHBondContact OG1-CD2 3.44Å; T2132-V2169 HydrophobicContact CG2-CG2 4.13Å |
| 2133 | S | 87 | Confident | 91.3 | Very high | 53 Ų | 53 | 36.4 Ų | 36.4 | 37% | 0.371 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -55.7 | -32.7 | -170.4 | 50.5 | 0 | 0 | 0 | 0 | 114.7 | E2129 N2130 I2136 G2137 | E2129-S2133 PolarHBondContact O-N 3.21Å; N2130-S2133 PolarHBondContact O-OG 2.72Å; S2133-I2136 PolarHBondContact O-N 2.95Å; S2133-G2137 PolarHBondContact O-N 3.42Å |
| 2134 | D | 87.6 | Confident | 91.3 | Very high | 126 Ų | 126 | 36.3 Ų | 36.3 | 67% | 0.674 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -72.5 | -52.8 | -171 | -41.2 | -35.4 | 0 | 0 | 0 | 110.2 | T2132 I2136 G2137 E2138 | T2132-D2134 PolarHBondContact O-N 2.88Å; T2132-D2134 VanDerWaalsContact O-N 3.09Å; D2134-I2136 VanDerWaalsContact C-N 3.26Å; D2134-I2136 PolarHBondContact O-N 2.82Å; D2134-G2137 WeakPolarHBondContact O-CA 3.47Å; D2134-G2137 PolarHBondContact O-N 3.23Å; D2134-E2138 PolarHBondContact O-N 2.81Å |
| 2135 | L | 89.2 | Confident | 91.2 | Very high | 21 Ų | 21 | 39.5 Ų | 39.5 | 11% | 0.11 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.8 | -29.6 | 173.1 | -71.2 | 164 | 0 | 0 | 0 | 112.4 | T2132 L2162 K2165 | T2132-L2135 PolarHBondContact O-N 3.23Å; L2135-L2162 HydrophobicContact CB-CD1 3.9Å; L2135-K2165 HydrophobicContact CD1-CB 4.02Å; L2135-K2165 HydrophobicContact CD1-CG 3.92Å |
| 2136 | I | 92.4 | Very high | 91 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69 | -36.6 | 171.9 | -71.3 | 174.6 | 0 | 0 | 0 | 110.7 | F2023 E2129 T2132 S2133 D2134 E2138 T2139 Y2142 L2162 | F2023-I2136 HydrophobicContact CE1-CG2 3.83Å; F2023-I2136 HydrophobicContact CE2-CG2 4.23Å; F2023-I2136 HydrophobicContact CZ-CG2 3.63Å; E2129-I2136 HydrophobicContact CB-CD1 4.29Å; E2129-I2136 HydrophobicContact CG-CD1 4.27Å; T2132-I2136 WeakPolarHBondContact O-CG1 3.38Å; T2132-I2136 PolarHBondContact O-N 2.78Å; T2132-I2136 VanDerWaalsContact O-N 3.15Å; T2132-I2136 WeakPolarHBondContact OG1-CD1 3.3Å; S2133-I2136 PolarHBondContact O-N 2.95Å; D2134-I2136 VanDerWaalsContact C-N 3.26Å; D2134-I2136 PolarHBondContact O-N 2.82Å; I2136-E2138 VanDerWaalsContact C-N 3.33Å; I2136-E2138 PolarHBondContact O-N 2.6Å; I2136-T2139 WeakPolarHBondContact O-CB 3.3Å; I2136-T2139 PolarHBondContact O-N 3.02Å; I2136-T2139 VanDerWaalsContact O-N 3.12Å; I2136-T2139 PolarHBondContact O-OG1 2.64Å; I2136-Y2142 HydrophobicContact CD1-CD1 4.43Å; I2136-Y2142 HydrophobicContact CD1-CD2 4.42Å; I2136-Y2142 HydrophobicContact CD1-CE1 4.13Å; I2136-Y2142 HydrophobicContact CD1-CE2 4.1Å; I2136-Y2142 HydrophobicContact CG1-CD2 4.14Å; I2136-Y2142 HydrophobicContact CG1-CE2 4.21Å; I2136-Y2142 HydrophobicContact CG1-CG 4.42Å; I2136-Y2142 HydrophobicContact CG2-CD1 3.89Å; I2136-Y2142 HydrophobicContact CG2-CD2 4.31Å; I2136-Y2142 HydrophobicContact CG2-CG 3.77Å; I2136-L2162 HydrophobicContact CG1-CD1 4.21Å |
| 2137 | G | 86.6 | Confident | 90.8 | Very high | 63 Ų | 63 | 42.5 Ų | 42.5 | 65% | 0.649 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -66.6 | -28.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S2133 D2134 T2139 | S2133-G2137 PolarHBondContact O-N 3.42Å; D2134-G2137 WeakPolarHBondContact O-CA 3.47Å; D2134-G2137 PolarHBondContact O-N 3.23Å; G2137-T2139 PolarHBondContact O-N 3.44Å |
| 2138 | E | 91 | Very high | 90.7 | Very high | 109 Ų | 109 | 41.7 Ų | 41.7 | 51% | 0.509 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -18.5 | 171.2 | -67.6 | 176.4 | -137.4 | 0 | 0 | 113 | D2134 I2136 F2157 | D2134-E2138 PolarHBondContact O-N 2.81Å; I2136-E2138 VanDerWaalsContact C-N 3.33Å; I2136-E2138 PolarHBondContact O-N 2.6Å; E2138-F2157 HydrophobicContact CB-CD2 4.08Å; E2138-F2157 HydrophobicContact CB-CE2 3.59Å; E2138-F2157 HydrophobicContact CG-CE2 4.5Å; E2138-F2157 WeakPolarHBondContact OE2-CE2 3.38Å |
| 2139 | T | 92 | Very high | 90.8 | Very high | 17 Ų | 17 | 41.6 Ų | 41.6 | 10% | 0.104 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -78.6 | 149 | 178.4 | 76.7 | 0 | 0 | 0 | 0 | 112.4 | I2136 G2137 Y2142 I2151 F2157 L2162 | I2136-T2139 WeakPolarHBondContact O-CB 3.3Å; I2136-T2139 PolarHBondContact O-N 3.02Å; I2136-T2139 VanDerWaalsContact O-N 3.12Å; I2136-T2139 PolarHBondContact O-OG1 2.64Å; G2137-T2139 PolarHBondContact O-N 3.44Å; T2139-Y2142 WeakPolarHBondContact OG1-CB 3.17Å; T2139-I2151 HydrophobicContact CG2-CG2 3.95Å; T2139-F2157 HydrophobicContact CG2-CE1 4.19Å; T2139-F2157 HydrophobicContact CG2-CZ 4.08Å; T2139-L2162 HydrophobicContact CG2-CD2 4.14Å |
| 2140 | T | 88.3 | Confident | 90.9 | Very high | 61 Ų | 61 | 41.5 Ų | 41.5 | 37% | 0.374 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -76.2 | -30.5 | 176.1 | -55 | 0 | 0 | 0 | 0 | 112.4 | K2043 I2152 | K2043-T2140 HydrophobicContact CD-CG2 3.76Å; K2043-T2140 WeakPolarHBondContact CD-OG1 3.35Å; K2043-T2140 VanDerWaalsContact CE-OG1 3.3Å; K2043-T2140 WeakPolarHBondContact CE-OG1 3.22Å; K2043-T2140 PolarHBondContact NZ-OG1 3.23Å; K2043-T2140 VanDerWaalsContact NZ-OG1 3.12Å; T2140-I2152 CarbonylContact C-O 3.26Å; T2140-I2152 WeakPolarHBondContact CA-O 3.41Å; T2140-I2152 WeakPolarHBondContact CB-O 3.27Å; T2140-I2152 PolarHBondContact N-O 3.26Å |
| 2141 | L | 91.9 | Very high | 91.1 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 7% | 0.073 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 125.4 | 168.8 | -177.1 | 73.4 | 0 | 0 | 0 | 110 | L2035 I2038 R2143 I2151 I2152 | L2035-L2141 HydrophobicContact CD2-CD2 3.67Å; L2035-L2141 HydrophobicContact CG-CD2 4.49Å; I2038-L2141 HydrophobicContact CD1-CB 4.13Å; I2038-L2141 HydrophobicContact CD1-CD1 4.35Å; I2038-L2141 HydrophobicContact CD1-CD2 3.9Å; I2038-L2141 HydrophobicContact CD1-CG 4.35Å; L2141-R2143 HydrophobicContact CD1-CG 3.86Å; L2141-R2143 HydrophobicContact CD2-CG 4.46Å; L2141-R2143 HydrophobicContact CG-CG 4.1Å; L2141-I2151 CarbonylContact O-C 3.58Å; L2141-I2151 WeakPolarHBondContact O-CA 3.14Å; L2141-I2152 HydrophobicContact CB-CB 4.03Å; L2141-I2152 HydrophobicContact CB-CD1 4.24Å; L2141-I2152 HydrophobicContact CB-CG1 4.08Å; L2141-I2152 HydrophobicContact CD2-CD1 3.97Å; L2141-I2152 HydrophobicContact CD2-CG1 4.37Å; L2141-I2152 PolarHBondContact N-O 3.31Å; L2141-I2152 PolarHBondContact O-N 3.46Å |
| 2142 | Y | 94.5 | Very high | 91.3 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125.2 | 167.2 | 175.4 | -79.5 | 0 | 0 | 0 | 109 | F2023 E2129 I2136 T2139 I2149 I2151 | F2023-Y2142 HydrophobicContact CB-CD1 3.91Å; F2023-Y2142 HydrophobicContact CB-CE1 3.87Å; F2023-Y2142 AromaticContact CD1-CD1 3.73Å; F2023-Y2142 HydrophobicContact CD1-CD1 3.73Å; F2023-Y2142 HydrophobicContact CD1-CE1 4.39Å; F2023-Y2142 HydrophobicContact CD2-CD1 4.34Å; F2023-Y2142 HydrophobicContact CD2-CE1 4.25Å; F2023-Y2142 HydrophobicContact CE1-CD1 4.31Å; F2023-Y2142 AromaticContact CG-CD1 3.74Å; F2023-Y2142 HydrophobicContact CG-CD1 3.74Å; F2023-Y2142 AromaticContact CG-CE1 3.93Å; F2023-Y2142 HydrophobicContact CG-CE1 3.93Å; E2129-Y2142 HydrophobicContact CG-CE1 3.96Å; E2129-Y2142 WeakPolarHBondContact CG-OH 3.42Å; E2129-Y2142 VanDerWaalsContact OE1-CE1 3.23Å; E2129-Y2142 WeakPolarHBondContact OE1-CE1 3.33Å; E2129-Y2142 PolarHBondContact OE1-OH 3.05Å; I2136-Y2142 HydrophobicContact CD1-CD1 4.43Å; I2136-Y2142 HydrophobicContact CD1-CD2 4.42Å; I2136-Y2142 HydrophobicContact CD1-CE1 4.13Å; I2136-Y2142 HydrophobicContact CD1-CE2 4.1Å; I2136-Y2142 HydrophobicContact CG1-CD2 4.14Å; I2136-Y2142 HydrophobicContact CG1-CE2 4.21Å; I2136-Y2142 HydrophobicContact CG1-CG 4.42Å; I2136-Y2142 HydrophobicContact CG2-CD1 3.89Å; I2136-Y2142 HydrophobicContact CG2-CD2 4.31Å; I2136-Y2142 HydrophobicContact CG2-CG 3.77Å; T2139-Y2142 WeakPolarHBondContact OG1-CB 3.17Å; Y2142-I2149 HydrophobicContact CD2-CG2 4.16Å; Y2142-I2149 HydrophobicContact CE2-CG2 3.55Å; Y2142-I2151 HydrophobicContact CD2-CD1 3.87Å; Y2142-I2151 HydrophobicContact CD2-CG1 3.84Å; Y2142-I2151 HydrophobicContact CE2-CD1 4.08Å; Y2142-I2151 HydrophobicContact CE2-CG1 4.32Å |
| 2143 | R | 94.7 | Very high | 91.4 | Very high | 45 Ų | 45 | 32.9 Ų | 32.9 | 17% | 0.17 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 140.9 | 179.2 | -70.7 | -62.9 | -178.3 | -90 | 3.5 | 111.6 | L2025 F2034 L2141 L2150 | L2025-R2143 HydrophobicContact CD1-CB 3.91Å; L2025-R2143 HydrophobicContact CD2-CB 4.09Å; L2025-R2143 HydrophobicContact CD2-CG 4.2Å; L2025-R2143 HydrophobicContact CG-CB 4.01Å; F2034-R2143 HydrophobicContact CD2-CG 4.35Å; F2034-R2143 VanDerWaalsContact CE2-NE 3.29Å; L2141-R2143 HydrophobicContact CD1-CG 3.86Å; L2141-R2143 HydrophobicContact CD2-CG 4.46Å; L2141-R2143 HydrophobicContact CG-CG 4.1Å; R2143-L2150 PolarHBondContact N-O 3.14Å; R2143-L2150 PolarHBondContact O-N 3.27Å |
| 2144 | R | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 147.1 | -175.4 | 178.5 | 175.6 | 54.9 | 78.9 | 1.6 | 112.3 | F2023 S2024 L2025 E2129 M2146 D2148 I2149 | F2023-R2144 PolarHBondContact O-N 3.19Å; S2024-R2144 CarbonylContact C-O 3.48Å; S2024-R2144 WeakPolarHBondContact CA-O 3.26Å; L2025-R2144 WeakPolarHBondContact CB-O 3.12Å; L2025-R2144 WeakPolarHBondContact CG-O 3.39Å; L2025-R2144 PolarHBondContact N-O 3.26Å; E2129-R2144 IonicContact OE1-CZ 3.55Å; E2129-R2144 IonicContact OE1-NE 3.48Å; E2129-R2144 PolarHBondContact OE1-NE 2.94Å; E2129-R2144 IonicContact OE1-NH2 2.8Å; E2129-R2144 PolarHBondContact OE1-NH2 2.72Å; E2129-R2144 IonicContact OE2-CZ 2.66Å; E2129-R2144 IonicContact OE2-NE 3.33Å; E2129-R2144 IonicContact OE2-NH2 3.65Å; E2129-R2144 PolarHBondContact OE2-NH2 2.93Å; R2144-M2146 VanDerWaalsContact CD-O 3.31Å; R2144-M2146 WeakPolarHBondContact CD-O 3.47Å; R2144-M2146 WeakPolarHBondContact CG-O 3.25Å; R2144-M2146 PolarHBondContact NH1-O 3.23Å; R2144-D2148 CarbonylContact C-O 3.5Å; R2144-D2148 WeakPolarHBondContact CA-O 3.46Å; R2144-I2149 HydrophobicContact CB-CG1 4.03Å; R2144-I2149 HydrophobicContact CG-CG1 3.69Å |
| 2145 | Y | 91.7 | Very high | 91.5 | Very high | 69 Ų | 69 | 32.5 Ų | 32.5 | 27% | 0.271 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 104.8 | 167 | 177.1 | -85.5 | 0 | 0 | 0 | 107.8 | L2025 D2147 D2148 L2188 | L2025-Y2145 HydrophobicContact CB-CD2 4.41Å; L2025-Y2145 VanDerWaalsContact O-CD2 3.29Å; L2025-Y2145 WeakPolarHBondContact O-CD2 3.41Å; Y2145-D2147 PolarHBondContact O-N 3.35Å; Y2145-D2148 PolarHBondContact N-O 2.77Å; Y2145-D2148 PolarHBondContact O-N 2.61Å; Y2145-L2188 HydrophobicContact CD1-CD1 4.48Å; Y2145-L2188 HydrophobicContact CD1-CD2 3.31Å; Y2145-L2188 HydrophobicContact CD2-CD1 4.39Å; Y2145-L2188 HydrophobicContact CE1-CD2 3.99Å; Y2145-L2188 HydrophobicContact CG-CD1 3.99Å; Y2145-L2188 HydrophobicContact CG-CD2 3.65Å; Y2145-L2188 HydrophobicContact CG-CG 4.46Å |
| 2146 | M | 89.1 | Confident | 91.4 | Very high | 26 Ų | 26 | 39.9 Ų | 39.9 | 13% | 0.128 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | -99.2 | -173.6 | -65.8 | -72 | 166.7 | 0 | 0 | 112.7 | F2054 P2118 E2122 R2144 | F2054-M2146 HydrophobicContact CZ-SD 4.32Å; P2118-M2146 HydrophobicContact CB-CE 3.68Å; P2118-M2146 HydrophobicContact CB-SD 4.39Å; E2122-M2146 HydrophobicContact CG-CE 4.05Å; E2122-M2146 HydrophobicContact CG-SD 3.97Å; E2122-M2146 WeakPolarHBondContact OE1-CE 3.22Å; R2144-M2146 VanDerWaalsContact CD-O 3.31Å; R2144-M2146 WeakPolarHBondContact CD-O 3.47Å; R2144-M2146 WeakPolarHBondContact CG-O 3.25Å; R2144-M2146 PolarHBondContact NH1-O 3.23Å |
| 2147 | D | 88 | Confident | 91.3 | Very high | 39 Ų | 39 | 41 Ų | 41 | 21% | 0.209 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -31.7 | -178.9 | 36.2 | -3.8 | 0 | 0 | 0 | 113.8 | D2049 V2050 L2053 Y2145 | D2049-D2147 WeakPolarHBondContact CA-O 3.37Å; V2050-D2147 HydrophobicContact CB-CB 4.28Å; V2050-D2147 PolarHBondContact N-O 3.42Å; V2050-D2147 VanDerWaalsContact N-O 3.14Å; L2053-D2147 HydrophobicContact CB-CB 4.34Å; L2053-D2147 HydrophobicContact CD2-CB 4.17Å; Y2145-D2147 PolarHBondContact O-N 3.35Å |
| 2148 | D | 91.4 | Very high | 91.5 | Very high | 39 Ų | 39 | 42.1 Ų | 42.1 | 21% | 0.209 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 123.3 | 178.6 | -76.4 | -71.1 | 0 | 0 | 0 | 111.8 | R2144 Y2145 F2187 L2188 | R2144-D2148 CarbonylContact C-O 3.5Å; R2144-D2148 WeakPolarHBondContact CA-O 3.46Å; Y2145-D2148 PolarHBondContact N-O 2.77Å; Y2145-D2148 PolarHBondContact O-N 2.61Å; D2148-F2187 HydrophobicContact CB-CE2 3.71Å; D2148-F2187 HydrophobicContact CB-CZ 3.8Å; D2148-L2188 HydrophobicContact CB-CD2 4.02Å; D2148-L2188 HydrophobicContact CB-CG 4.49Å; D2148-L2188 VanDerWaalsContact OD2-CD2 3.24Å; D2148-L2188 WeakPolarHBondContact OD2-CD2 3.36Å |
| 2149 | I | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 131 | 176 | -55 | 168 | 0 | 0 | 0 | 111.2 | S2047 F2048 M2125 Y2142 R2144 I2151 M2175 F2187 | S2047-I2149 CarbonylContact C-O 3.48Å; S2047-I2149 VanDerWaalsContact CA-O 3.22Å; S2047-I2149 WeakPolarHBondContact CA-O 3.46Å; S2047-I2149 PolarHBondContact OG-O 2.88Å; F2048-I2149 HydrophobicContact CB-CB 4.14Å; F2048-I2149 HydrophobicContact CB-CD1 4.27Å; F2048-I2149 PolarHBondContact N-O 3.27Å; F2048-I2149 PolarHBondContact O-N 2.71Å; M2125-I2149 HydrophobicContact CE-CD1 4.06Å; Y2142-I2149 HydrophobicContact CD2-CG2 4.16Å; Y2142-I2149 HydrophobicContact CE2-CG2 3.55Å; R2144-I2149 HydrophobicContact CB-CG1 4.03Å; R2144-I2149 HydrophobicContact CG-CG1 3.69Å; I2149-I2151 HydrophobicContact CG2-CD1 4.42Å; I2149-I2151 HydrophobicContact CG2-CG1 4.06Å; I2149-M2175 HydrophobicContact CD1-SD 3.91Å; I2149-F2187 WeakPolarHBondContact O-CE2 3.41Å |
| 2150 | L | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 133 | 172.6 | -177.7 | 74.4 | 0 | 0 | 0 | 111 | L2031 R2143 L2185 F2187 L2192 | L2031-L2150 HydrophobicContact CD1-CD2 3.83Å; L2031-L2150 HydrophobicContact CD2-CD2 4.16Å; R2143-L2150 PolarHBondContact N-O 3.14Å; R2143-L2150 PolarHBondContact O-N 3.27Å; L2150-L2185 HydrophobicContact CD1-CD2 3.73Å; L2150-F2187 HydrophobicContact CB-CD1 4.22Å; L2150-F2187 HydrophobicContact CB-CD2 3.95Å; L2150-F2187 HydrophobicContact CB-CE1 4Å; L2150-F2187 HydrophobicContact CB-CE2 3.74Å; L2150-F2187 HydrophobicContact CB-CG 4.19Å; L2150-F2187 HydrophobicContact CB-CZ 3.75Å; L2150-F2187 HydrophobicContact CD1-CB 4.45Å; L2150-F2187 HydrophobicContact CD1-CD2 4.25Å; L2150-F2187 HydrophobicContact CD1-CG 4.25Å; L2150-L2192 HydrophobicContact CD1-CD1 3.86Å; L2150-L2192 HydrophobicContact CD2-CD1 3.9Å |
| 2151 | I | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.7 | 177.8 | -51.7 | -174.3 | 0 | 0 | 0 | 110.7 | H2046 F2048 T2139 L2141 Y2142 I2149 C2153 L2162 | H2046-I2151 HydrophobicContact CB-CB 4.5Å; H2046-I2151 PolarHBondContact N-O 3.4Å; H2046-I2151 PolarHBondContact O-N 3.11Å; F2048-I2151 HydrophobicContact CD2-CD1 3.73Å; F2048-I2151 HydrophobicContact CE2-CD1 3.3Å; F2048-I2151 HydrophobicContact CZ-CD1 3.87Å; T2139-I2151 HydrophobicContact CG2-CG2 3.95Å; L2141-I2151 CarbonylContact O-C 3.58Å; L2141-I2151 WeakPolarHBondContact O-CA 3.14Å; Y2142-I2151 HydrophobicContact CD2-CD1 3.87Å; Y2142-I2151 HydrophobicContact CD2-CG1 3.84Å; Y2142-I2151 HydrophobicContact CE2-CD1 4.08Å; Y2142-I2151 HydrophobicContact CE2-CG1 4.32Å; I2149-I2151 HydrophobicContact CG2-CD1 4.42Å; I2149-I2151 HydrophobicContact CG2-CG1 4.06Å; I2151-C2153 HydrophobicContact CG2-CB 4.42Å; I2151-L2162 HydrophobicContact CD1-CD2 3.79Å |
| 2152 | I | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 118 | 167.6 | -47 | -171 | 0 | 0 | 0 | 107.2 | L2035 I2040 K2043 S2044 L2045 T2140 L2141 I2200 | L2035-I2152 HydrophobicContact CD2-CD1 3.66Å; I2040-I2152 HydrophobicContact CG2-CD1 4.33Å; I2040-I2152 HydrophobicContact CG2-CG2 3.8Å; K2043-I2152 HydrophobicContact CB-CG2 4.16Å; S2044-I2152 WeakPolarHBondContact O-CA 3.47Å; L2045-I2152 HydrophobicContact CD2-CB 4.33Å; L2045-I2152 HydrophobicContact CD2-CD1 3.76Å; L2045-I2152 HydrophobicContact CD2-CG1 3.63Å; L2045-I2152 HydrophobicContact CD2-CG2 4.1Å; T2140-I2152 CarbonylContact C-O 3.26Å; T2140-I2152 WeakPolarHBondContact CA-O 3.41Å; T2140-I2152 WeakPolarHBondContact CB-O 3.27Å; T2140-I2152 PolarHBondContact N-O 3.26Å; L2141-I2152 HydrophobicContact CB-CB 4.03Å; L2141-I2152 HydrophobicContact CB-CD1 4.24Å; L2141-I2152 HydrophobicContact CB-CG1 4.08Å; L2141-I2152 HydrophobicContact CD2-CD1 3.97Å; L2141-I2152 HydrophobicContact CD2-CG1 4.37Å; L2141-I2152 PolarHBondContact N-O 3.31Å; L2141-I2152 PolarHBondContact O-N 3.46Å; I2152-I2200 HydrophobicContact CD1-CD1 4.29Å |
| 2153 | C | 91.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 171.9 | -177.9 | 56.2 | 0 | 0 | 0 | 0 | 109.9 | K2043 S2044 I2151 F2157 V2159 | K2043-C2153 CarbonylContact C-O 3.59Å; K2043-C2153 VanDerWaalsContact CA-O 3.22Å; K2043-C2153 WeakPolarHBondContact CA-O 3.36Å; K2043-C2153 WeakPolarHBondContact CB-O 3.44Å; S2044-C2153 PolarHBondContact N-O 2.96Å; S2044-C2153 PolarHBondContact O-N 2.79Å; S2044-C2153 PolarHBondContact OG-SG 3.2Å; I2151-C2153 HydrophobicContact CG2-CB 4.42Å; C2153-F2157 HydrophobicContact CB-CB 3.93Å; C2153-F2157 HydrophobicContact CB-CD1 3.53Å; C2153-F2157 HydrophobicContact CB-CE1 4.26Å; C2153-F2157 HydrophobicContact CB-CG 3.88Å; C2153-V2159 WeakPolarHBondContact SG-CG2 3.38Å |
| 2154 | D | 91.2 | Very high | 91.3 | Very high | 54 Ų | 54 | 49.6 Ų | 49.6 | 29% | 0.289 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 160.7 | 173.5 | -148.1 | -87.5 | 0 | 0 | 0 | 112.3 | K2043 H2156 F2157 | K2043-D2154 IonicContact NZ-OD2 2.79Å; K2043-D2154 PolarHBondContact NZ-OD2 3.39Å; D2154-H2156 PolarHBondContact O-N 3.05Å; D2154-H2156 IonicContact OD1-CD2 2.81Å; D2154-H2156 PolarHBondContact OD1-N 2.93Å; D2154-F2157 HydrophobicContact CB-CB 4.48Å; D2154-F2157 PolarHBondContact O-N 3.37Å |
| 2155 | K | 86.2 | Confident | 91.1 | Very high | 116 Ų | 116 | 55.1 Ų | 55.1 | 50% | 0.504 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25.1 | 174.4 | -76.5 | 165.6 | -178.9 | 169.6 | 0 | 112.2 | K2041 D2042 | K2041-K2155 PolarHBondContact O-NZ 2.86Å; D2042-K2155 WeakPolarHBondContact O-CD 3.22Å; D2042-K2155 WeakPolarHBondContact O-CG 3.43Å; D2042-K2155 PolarHBondContact O-N 3.49Å; D2042-K2155 IonicContact OD1-NZ 2.7Å; D2042-K2155 PolarHBondContact OD1-NZ 3Å |
| 2156 | H | 86.1 | Confident | 91 | Very high | 176 Ų | 176 | 51.9 Ų | 51.9 | 82% | 0.815 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -2.4 | -179.8 | -61.4 | -80.5 | 0 | 0 | 0 | 114.1 | D2154 | D2154-H2156 PolarHBondContact O-N 3.05Å; D2154-H2156 IonicContact OD1-CD2 2.81Å; D2154-H2156 PolarHBondContact OD1-N 2.93Å |
| 2157 | F | 91.3 | Very high | 91 | Very high | 30 Ų | 30 | 52.6 Ų | 52.6 | 13% | 0.132 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -82 | 129.8 | 179.1 | 176.3 | -93 | 0 | 0 | 0 | 111.4 | E2138 T2139 C2153 D2154 V2159 L2162 | E2138-F2157 HydrophobicContact CB-CD2 4.08Å; E2138-F2157 HydrophobicContact CB-CE2 3.59Å; E2138-F2157 HydrophobicContact CG-CE2 4.5Å; E2138-F2157 WeakPolarHBondContact OE2-CE2 3.38Å; T2139-F2157 HydrophobicContact CG2-CE1 4.19Å; T2139-F2157 HydrophobicContact CG2-CZ 4.08Å; C2153-F2157 HydrophobicContact CB-CB 3.93Å; C2153-F2157 HydrophobicContact CB-CD1 3.53Å; C2153-F2157 HydrophobicContact CB-CE1 4.26Å; C2153-F2157 HydrophobicContact CB-CG 3.88Å; D2154-F2157 HydrophobicContact CB-CB 4.48Å; D2154-F2157 PolarHBondContact O-N 3.37Å; F2157-V2159 HydrophobicContact CD1-CG2 3.81Å; F2157-V2159 HydrophobicContact CE1-CG2 4.18Å; F2157-V2159 PolarHBondContact O-N 3.17Å; F2157-V2159 VanDerWaalsContact O-N 3.17Å; F2157-L2162 HydrophobicContact CE1-CB 4.29Å; F2157-L2162 HydrophobicContact CE1-CD2 4.15Å; F2157-L2162 HydrophobicContact CZ-CB 4.26Å; F2157-L2162 HydrophobicContact CZ-CD2 4.22Å |
| 2158 | D | 89.8 | Confident | 90.9 | Very high | 85 Ų | 85 | 53.8 Ų | 53.8 | 46% | 0.455 | 26% | 0.264 | S | S | . | . | trans | -78.9 | 99.5 | 177.7 | -175.2 | 5.3 | 0 | 0 | 0 | 112.1 | Y2160 R2161 | D2158-Y2160 VanDerWaalsContact C-N 3.29Å; D2158-Y2160 PolarHBondContact O-N 3.38Å; D2158-Y2160 WeakPolarHBondContact OD1-CA 3.47Å; D2158-Y2160 WeakPolarHBondContact OD1-CB 3.11Å; D2158-Y2160 PolarHBondContact OD1-N 2.95Å; D2158-R2161 HydrophobicContact CB-CB 4.14Å; D2158-R2161 PolarHBondContact OD1-N 2.93Å; D2158-R2161 WeakPolarHBondContact OD2-CB 3.48Å | ||
| 2159 | V | 91.5 | Very high | 90.6 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.03 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.2 | -23.2 | 176.8 | 178.2 | 0 | 0 | 0 | 0 | 112.7 | H2046 F2048 C2153 F2157 L2162 L2163 | H2046-V2159 HydrophobicContact CB-CG1 4.35Å; F2048-V2159 HydrophobicContact CE1-CG1 4.04Å; F2048-V2159 HydrophobicContact CZ-CG1 3.81Å; C2153-V2159 WeakPolarHBondContact SG-CG2 3.38Å; F2157-V2159 HydrophobicContact CD1-CG2 3.81Å; F2157-V2159 HydrophobicContact CE1-CG2 4.18Å; F2157-V2159 PolarHBondContact O-N 3.17Å; F2157-V2159 VanDerWaalsContact O-N 3.17Å; V2159-L2162 PolarHBondContact O-N 3.02Å; V2159-L2163 PolarHBondContact O-N 3.19Å |
| 2160 | Y | 92.2 | Very high | 90 | Very high | 127 Ų | 127 | 54.8 Ų | 54.8 | 50% | 0.498 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -74.2 | -42.1 | 178.4 | -66.2 | -71.2 | 0 | 0 | 0 | 111 | D2158 L2162 L2163 D2164 H2177 | D2158-Y2160 VanDerWaalsContact C-N 3.29Å; D2158-Y2160 PolarHBondContact O-N 3.38Å; D2158-Y2160 WeakPolarHBondContact OD1-CA 3.47Å; D2158-Y2160 WeakPolarHBondContact OD1-CB 3.11Å; D2158-Y2160 PolarHBondContact OD1-N 2.95Å; Y2160-L2162 PolarHBondContact O-N 2.86Å; Y2160-L2163 HydrophobicContact CD1-CD2 4.4Å; Y2160-L2163 WeakPolarHBondContact O-CB 2.96Å; Y2160-L2163 PolarHBondContact O-N 2.64Å; Y2160-D2164 PolarHBondContact O-N 2.69Å; Y2160-H2177 AromaticContact CE1-CE1 3.84Å; Y2160-H2177 AromaticContact CE1-ND1 3.6Å; Y2160-H2177 AromaticContact CZ-CE1 3.8Å; Y2160-H2177 AromaticContact CZ-ND1 3.94Å; Y2160-H2177 PolarHBondContact OH-CE1 2.81Å |
| 2161 | R | 91.5 | Very high | 89.2 | Confident | 151 Ų | 151 | 61.9 Ų | 61.9 | 57% | 0.57 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -52.7 | -39.1 | 170.2 | -174.9 | 180 | -175.7 | -143.5 | 1.9 | 113.1 | D2158 K2165 | D2158-R2161 HydrophobicContact CB-CB 4.14Å; D2158-R2161 PolarHBondContact OD1-N 2.93Å; D2158-R2161 WeakPolarHBondContact OD2-CB 3.48Å; R2161-K2165 VanDerWaalsContact O-CB 3.32Å; R2161-K2165 WeakPolarHBondContact O-CB 3.41Å; R2161-K2165 PolarHBondContact O-N 2.95Å |
| 2162 | L | 92.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.1 | -43.6 | 174.3 | 175.4 | 59.4 | 0 | 0 | 0 | 112.3 | L2135 I2136 T2139 I2151 F2157 V2159 Y2160 K2165 L2166 | L2135-L2162 HydrophobicContact CB-CD1 3.9Å; I2136-L2162 HydrophobicContact CG1-CD1 4.21Å; T2139-L2162 HydrophobicContact CG2-CD2 4.14Å; I2151-L2162 HydrophobicContact CD1-CD2 3.79Å; F2157-L2162 HydrophobicContact CE1-CB 4.29Å; F2157-L2162 HydrophobicContact CE1-CD2 4.15Å; F2157-L2162 HydrophobicContact CZ-CB 4.26Å; F2157-L2162 HydrophobicContact CZ-CD2 4.22Å; V2159-L2162 PolarHBondContact O-N 3.02Å; Y2160-L2162 PolarHBondContact O-N 2.86Å; L2162-K2165 PolarHBondContact O-N 3Å; L2162-L2166 HydrophobicContact CD1-CD1 3.89Å; L2162-L2166 HydrophobicContact CD1-CG 4.04Å; L2162-L2166 HydrophobicContact CG-CD1 3.94Å; L2162-L2166 WeakPolarHBondContact O-CB 3.38Å; L2162-L2166 VanDerWaalsContact O-CG 3.28Å; L2162-L2166 WeakPolarHBondContact O-CG 3.45Å; L2162-L2166 PolarHBondContact O-N 3.29Å |
| 2163 | L | 92 | Very high | 87.4 | Confident | 17 Ų | 17 | 66 Ų | 66 | 9% | 0.089 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 177.9 | 178.6 | 61.1 | 0 | 0 | 0 | 112.2 | F2048 V2159 Y2160 L2166 N2167 M2175 H2177 | F2048-L2163 HydrophobicContact CD1-CD1 3.99Å; F2048-L2163 HydrophobicContact CD2-CD1 4.45Å; F2048-L2163 HydrophobicContact CE1-CB 4.11Å; F2048-L2163 HydrophobicContact CE1-CD1 3.83Å; F2048-L2163 HydrophobicContact CE1-CD2 4.35Å; F2048-L2163 HydrophobicContact CE1-CG 4.32Å; F2048-L2163 HydrophobicContact CE2-CB 4.47Å; F2048-L2163 HydrophobicContact CE2-CD1 4.3Å; F2048-L2163 HydrophobicContact CG-CD1 4.32Å; F2048-L2163 HydrophobicContact CZ-CB 3.78Å; F2048-L2163 HydrophobicContact CZ-CD1 4Å; F2048-L2163 HydrophobicContact CZ-CG 4.4Å; V2159-L2163 PolarHBondContact O-N 3.19Å; Y2160-L2163 HydrophobicContact CD1-CD2 4.4Å; Y2160-L2163 WeakPolarHBondContact O-CB 2.96Å; Y2160-L2163 PolarHBondContact O-N 2.64Å; L2163-L2166 PolarHBondContact O-N 3.11Å; L2163-N2167 PolarHBondContact O-N 3.49Å; L2163-N2167 PolarHBondContact O-ND2 2.75Å; L2163-N2167 VanDerWaalsContact O-ND2 3.12Å; L2163-M2175 HydrophobicContact CD1-CB 3.94Å; L2163-H2177 HydrophobicContact CD2-CB 3.94Å |
| 2164 | D | 89.9 | Confident | 86.9 | Confident | 107 Ų | 107 | 70 Ų | 70 | 57% | 0.572 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.9 | -40.5 | -179.4 | -66.9 | -23.5 | 0 | 0 | 0 | 110.9 | Y2160 L2166 N2167 G2168 | Y2160-D2164 PolarHBondContact O-N 2.69Å; D2164-L2166 PolarHBondContact O-N 2.86Å; D2164-N2167 PolarHBondContact O-N 3.46Å; D2164-G2168 PolarHBondContact O-N 3.27Å |
| 2165 | K | 89.8 | Confident | 86.9 | Confident | 117 Ų | 117 | 67.9 Ų | 67.9 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.4 | -34.2 | 175.5 | -172.9 | 60.5 | 176.9 | 179 | 0 | 112.8 | T2132 L2135 R2161 L2162 V2169 | T2132-K2165 HydrophobicContact CG2-CG 3.98Å; L2135-K2165 HydrophobicContact CD1-CB 4.02Å; L2135-K2165 HydrophobicContact CD1-CG 3.92Å; R2161-K2165 VanDerWaalsContact O-CB 3.32Å; R2161-K2165 WeakPolarHBondContact O-CB 3.41Å; R2161-K2165 PolarHBondContact O-N 2.95Å; L2162-K2165 PolarHBondContact O-N 3Å; K2165-V2169 WeakPolarHBondContact O-CG2 3.43Å |
| 2166 | L | 90.2 | Very high | 86.9 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.8 | -43.2 | 174.6 | -77.1 | 167.1 | 0 | 0 | 0 | 112.5 | F2048 V2128 T2132 L2162 L2163 D2164 G2168 M2175 | F2048-L2166 HydrophobicContact CD2-CD1 4.02Å; F2048-L2166 HydrophobicContact CE2-CD1 3.71Å; V2128-L2166 HydrophobicContact CG1-CD2 3.74Å; T2132-L2166 HydrophobicContact CG2-CD2 3.93Å; T2132-L2166 HydrophobicContact CG2-CG 4.41Å; T2132-L2166 WeakPolarHBondContact OG1-CD2 3.44Å; L2162-L2166 HydrophobicContact CD1-CD1 3.89Å; L2162-L2166 HydrophobicContact CD1-CG 4.04Å; L2162-L2166 HydrophobicContact CG-CD1 3.94Å; L2162-L2166 WeakPolarHBondContact O-CB 3.38Å; L2162-L2166 VanDerWaalsContact O-CG 3.28Å; L2162-L2166 WeakPolarHBondContact O-CG 3.45Å; L2162-L2166 PolarHBondContact O-N 3.29Å; L2163-L2166 PolarHBondContact O-N 3.11Å; D2164-L2166 PolarHBondContact O-N 2.86Å; L2166-G2168 VanDerWaalsContact C-N 3.31Å; L2166-M2175 HydrophobicContact CB-CE 3.91Å; L2166-M2175 HydrophobicContact CB-SD 4.02Å; L2166-M2175 HydrophobicContact CD1-SD 4.22Å; L2166-M2175 HydrophobicContact CD2-CE 4.31Å |
| 2167 | N | 88 | Confident | 87.2 | Confident | 41 Ų | 41 | 58.5 Ų | 58.5 | 22% | 0.219 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.6 | -35.2 | 174.8 | -72.3 | -43.5 | 0 | 0 | 0 | 111.7 | L2163 D2164 V2169 M2175 | L2163-N2167 PolarHBondContact O-N 3.49Å; L2163-N2167 PolarHBondContact O-ND2 2.75Å; L2163-N2167 VanDerWaalsContact O-ND2 3.12Å; D2164-N2167 PolarHBondContact O-N 3.46Å; N2167-V2169 PolarHBondContact O-N 3.23Å; N2167-V2169 VanDerWaalsContact O-N 3.11Å; N2167-M2175 WeakPolarHBondContact OD1-CB 3.15Å; N2167-M2175 PolarHBondContact OD1-N 2.68Å |
| 2168 | G | 86 | Confident | 87 | Confident | 63 Ų | 63 | 63 Ų | 63 | 65% | 0.649 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 2.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | D2164 L2166 | D2164-G2168 PolarHBondContact O-N 3.27Å; L2166-G2168 VanDerWaalsContact C-N 3.31Å |
| 2169 | V | 86.2 | Confident | 87 | Confident | 31 Ų | 31 | 61.7 Ų | 61.7 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -33.7 | 179.8 | -176.4 | 0 | 0 | 0 | 0 | 112.8 | Y2127 V2128 M2131 T2132 K2165 N2167 | Y2127-V2169 HydrophobicContact CD1-CG1 4.41Å; Y2127-V2169 HydrophobicContact CE1-CG1 3.87Å; V2128-V2169 HydrophobicContact CG1-CB 4.37Å; V2128-V2169 HydrophobicContact CG1-CG2 4.17Å; V2128-V2169 HydrophobicContact CG2-CB 4.47Å; V2128-V2169 HydrophobicContact CG2-CG1 4.14Å; M2131-V2169 HydrophobicContact CB-CG1 4.32Å; M2131-V2169 HydrophobicContact CB-CG2 4.43Å; M2131-V2169 HydrophobicContact CG-CG1 4.48Å; T2132-V2169 HydrophobicContact CG2-CG2 4.13Å; K2165-V2169 WeakPolarHBondContact O-CG2 3.43Å; N2167-V2169 PolarHBondContact O-N 3.23Å; N2167-V2169 VanDerWaalsContact O-N 3.11Å |
| 2170 | Q | 81.4 | Confident | 86.8 | Confident | 30 Ų | 30 | 63.6 Ų | 63.6 | 14% | 0.14 | 33% | 0.33 | C | S | . | . | trans | -159.3 | 122 | 178.2 | 177.9 | 70 | 34.1 | 0 | 0 | 110.2 | F2124 D2172 I2173 | F2124-Q2170 HydrophobicContact CZ-CB 4.23Å; F2124-Q2170 HydrophobicContact CZ-CG 4.19Å; Q2170-D2172 PolarHBondContact NE2-OD2 2.65Å; Q2170-D2172 PolarHBondContact O-N 2.65Å; Q2170-I2173 PolarHBondContact O-N 3.42Å | ||
| 2171 | N | 76.9 | Confident | 86 | Confident | 149 Ų | 149 | 61.2 Ų | 61.2 | 80% | 0.797 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -28.2 | -172.5 | -57.6 | 5.6 | 0 | 0 | 0 | 115.4 | ||
| 2172 | D | 74.2 | Confident | 85.6 | Confident | 81 Ų | 81 | 62 Ų | 62 | 43% | 0.433 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -10.3 | -175.3 | -42.9 | -75.8 | 0 | 0 | 0 | 114.1 | N2056 Q2170 | N2056-D2172 PolarHBondContact ND2-O 3.17Å; Q2170-D2172 PolarHBondContact NE2-OD2 2.65Å; Q2170-D2172 PolarHBondContact O-N 2.65Å |
| 2173 | I | 77 | Confident | 85.1 | Confident | 6 Ų | 6 | 62.9 Ų | 62.9 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | trans | -94.8 | 124.9 | 168.1 | -86.9 | -170 | 0 | 0 | 0 | 109.3 | V2050 L2053 F2124 M2125 Q2170 M2175 | V2050-I2173 HydrophobicContact CG1-CD1 3.98Å; V2050-I2173 HydrophobicContact CG1-CG1 4.04Å; V2050-I2173 HydrophobicContact CG1-CG2 4.32Å; L2053-I2173 HydrophobicContact CD1-CD1 4.29Å; F2124-I2173 HydrophobicContact CD1-CD1 3.97Å; F2124-I2173 HydrophobicContact CE1-CD1 3.27Å; F2124-I2173 HydrophobicContact CE1-CG1 3.87Å; F2124-I2173 HydrophobicContact CZ-CD1 3.89Å; F2124-I2173 HydrophobicContact CZ-CG1 4.38Å; M2125-I2173 HydrophobicContact SD-CD1 3.75Å; Q2170-I2173 PolarHBondContact O-N 3.42Å; I2173-M2175 HydrophobicContact CG2-CE 3.87Å; I2173-M2175 HydrophobicContact CG2-CG 3.97Å | ||
| 2174 | V | 82.3 | Confident | 84.7 | Confident | 83 Ų | 83 | 65.6 Ų | 65.6 | 50% | 0.503 | 37% | 0.37 | S | S | . | . | trans | -124.4 | 112.7 | 169.1 | -179.7 | 0 | 0 | 0 | 0 | 107.9 | N2051 | N2051-V2174 PolarHBondContact N-O 2.75Å; N2051-V2174 PolarHBondContact ND2-O 3.37Å | ||
| 2175 | M | 89.7 | Confident | 84.6 | Confident | 9 Ų | 9 | 60.9 Ų | 60.9 | 4% | 0.044 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 138.6 | 174.8 | -53.3 | -162.4 | -168.6 | 0 | 0 | 110.5 | D2049 V2050 M2125 V2128 I2149 L2163 L2166 N2167 I2173 | D2049-M2175 WeakPolarHBondContact O-CA 3.34Å; V2050-M2175 HydrophobicContact CG2-CE 4.49Å; V2050-M2175 HydrophobicContact CG2-CG 4.24Å; V2050-M2175 HydrophobicContact CG2-SD 4.43Å; M2125-M2175 HydrophobicContact CE-CE 3.87Å; V2128-M2175 HydrophobicContact CG1-CE 4.14Å; I2149-M2175 HydrophobicContact CD1-SD 3.91Å; L2163-M2175 HydrophobicContact CD1-CB 3.94Å; L2166-M2175 HydrophobicContact CB-CE 3.91Å; L2166-M2175 HydrophobicContact CB-SD 4.02Å; L2166-M2175 HydrophobicContact CD1-SD 4.22Å; L2166-M2175 HydrophobicContact CD2-CE 4.31Å; N2167-M2175 WeakPolarHBondContact OD1-CB 3.15Å; N2167-M2175 PolarHBondContact OD1-N 2.68Å; I2173-M2175 HydrophobicContact CG2-CE 3.87Å; I2173-M2175 HydrophobicContact CG2-CG 3.97Å |
| 2176 | T | 86.8 | Confident | 84.3 | Confident | 53 Ų | 53 | 57.5 Ų | 57.5 | 33% | 0.325 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 160.7 | 170.4 | 69.2 | 0 | 0 | 0 | 0 | 110.8 | F2048 D2049 N2051 | F2048-T2176 WeakPolarHBondContact CA-O 3.22Å; F2048-T2176 WeakPolarHBondContact CB-O 3.24Å; D2049-T2176 PolarHBondContact N-O 3.22Å; D2049-T2176 PolarHBondContact O-N 2.8Å; D2049-T2176 PolarHBondContact O-OG1 3.45Å; N2051-T2176 VanDerWaalsContact ND2-CG2 3.31Å; N2051-T2176 WeakPolarHBondContact ND2-CG2 3.42Å |
| 2177 | H | 91.6 | Very high | 84.2 | Confident | 42 Ų | 42 | 57.6 Ų | 57.6 | 19% | 0.194 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127.8 | -179.6 | 175 | -137.8 | 0 | 0 | 0 | 112 | H2046 F2048 Y2160 L2163 | H2046-H2177 AromaticContact CG-NE2 3.84Å; H2046-H2177 AromaticContact ND1-CE1 3.88Å; H2046-H2177 AromaticContact ND1-NE2 3.13Å; H2046-H2177 PolarHBondContact ND1-NE2 3.04Å; H2046-H2177 VanDerWaalsContact ND1-NE2 3.13Å; F2048-H2177 HydrophobicContact CD1-CB 4.03Å; F2048-H2177 AromaticContact CD1-CD2 3.74Å; F2048-H2177 HydrophobicContact CE1-CB 4.13Å; F2048-H2177 AromaticContact CE1-CD2 3.46Å; F2048-H2177 VanDerWaalsContact CE1-CD2 3.46Å; F2048-H2177 WeakPolarHBondContact CE1-CD2 3.42Å; F2048-H2177 AromaticContact CE1-CG 3.99Å; Y2160-H2177 AromaticContact CE1-CE1 3.84Å; Y2160-H2177 AromaticContact CE1-ND1 3.6Å; Y2160-H2177 AromaticContact CZ-CE1 3.8Å; Y2160-H2177 AromaticContact CZ-ND1 3.94Å; Y2160-H2177 PolarHBondContact OH-CE1 2.81Å; L2163-H2177 HydrophobicContact CD2-CB 3.94Å |
| 2178 | E | 88.5 | Confident | 84 | Confident | 125 Ų | 125 | 57.1 Ų | 57.1 | 58% | 0.584 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 102 | 167.6 | -63.4 | -155.9 | 158.2 | 0 | 0 | 109.9 | S2047 L2185 | S2047-E2178 PolarHBondContact N-O 3.3Å; S2047-E2178 PolarHBondContact O-N 3.03Å; E2178-L2185 WeakPolarHBondContact O-CD1 3.33Å |
| 2179 | P | 89.4 | Confident | 83.5 | Confident | 58 Ų | 58 | 55.4 Ų | 55.4 | 38% | 0.377 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 158.2 | 170.3 | 30.8 | -34.6 | 0 | 0 | 0 | 111.3 | ||
| 2180 | E | 87.1 | Confident | 83.1 | Confident | 44 Ų | 44 | 54 Ų | 54 | 21% | 0.206 | 30% | 0.303 | C | S | . | . | trans | -59.3 | 144.7 | 175.7 | 75.3 | -176.8 | 117 | 0 | 0 | 112.8 | L2045 G2183 Q2184 L2185 R2194 | L2045-E2180 HydrophobicContact CB-CB 4.04Å; L2045-E2180 HydrophobicContact CB-CG 4.37Å; L2045-E2180 PolarHBondContact N-OE1 2.75Å; L2045-E2180 WeakPolarHBondContact O-CB 3.48Å; L2045-E2180 PolarHBondContact O-N 3.5Å; E2180-G2183 WeakPolarHBondContact OE2-CA 3.2Å; E2180-Q2184 WeakPolarHBondContact CA-O 3.44Å; E2180-L2185 HydrophobicContact CB-CB 4.14Å; E2180-R2194 IonicContact OE1-CZ 3.29Å; E2180-R2194 IonicContact OE1-NE 3.84Å; E2180-R2194 IonicContact OE1-NH2 3.82Å; E2180-R2194 PolarHBondContact OE1-NH2 2.94Å; E2180-R2194 IonicContact OE2-CZ 3.38Å; E2180-R2194 IonicContact OE2-NE 3.45Å; E2180-R2194 PolarHBondContact OE2-NE 2.91Å; E2180-R2194 VanDerWaalsContact OE2-NE 3.08Å; E2180-R2194 IonicContact OE2-NH2 3.98Å; E2180-R2194 PolarHBondContact OE2-NH2 2.76Å | ||
| 2181 | S | 76 | Confident | 83.1 | Confident | 77 Ų | 77 | 54.4 Ų | 54.4 | 54% | 0.538 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -127.8 | 128.2 | 178.4 | 65 | 0 | 0 | 0 | 0 | 110.8 | G2183 Q2184 | S2181-G2183 PolarHBondContact O-N 2.93Å; S2181-Q2184 PolarHBondContact N-O 2.88Å; S2181-Q2184 PolarHBondContact O-N 3.13Å; S2181-Q2184 VanDerWaalsContact O-N 3.08Å |
| 2182 | N | 82.6 | Confident | 83.6 | Confident | 167 Ų | 167 | 47.3 Ų | 47.3 | 89% | 0.893 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 34.4 | -173.5 | -50.9 | -86.4 | 0 | 0 | 0 | 113.6 | Q2184 | N2182-Q2184 VanDerWaalsContact C-N 3.33Š|
| 2183 | G | 81.9 | Confident | 83.9 | Confident | 20 Ų | 20 | 43.9 Ų | 43.9 | 21% | 0.206 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 21.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E2180 S2181 S2193 R2194 | E2180-G2183 WeakPolarHBondContact OE2-CA 3.2Å; S2181-G2183 PolarHBondContact O-N 2.93Å; G2183-S2193 WeakPolarHBondContact O-CA 3.31Å; G2183-R2194 WeakPolarHBondContact O-CB 3.47Å; G2183-R2194 PolarHBondContact O-N 2.72Å |
| 2184 | Q | 83.5 | Confident | 84.3 | Confident | 74 Ų | 74 | 46.3 Ų | 46.3 | 35% | 0.346 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 143.3 | -179.2 | -55.9 | -164.3 | -32.8 | 0 | 0 | 112.3 | E2180 S2181 N2182 L2191 L2192 S2193 | E2180-Q2184 WeakPolarHBondContact CA-O 3.44Å; S2181-Q2184 PolarHBondContact N-O 2.88Å; S2181-Q2184 PolarHBondContact O-N 3.13Å; S2181-Q2184 VanDerWaalsContact O-N 3.08Å; N2182-Q2184 VanDerWaalsContact C-N 3.33Å; Q2184-L2191 HydrophobicContact CB-CD1 4.17Å; Q2184-L2192 VanDerWaalsContact CA-O 3.26Å; Q2184-L2192 WeakPolarHBondContact CA-O 3.16Å; Q2184-S2193 PolarHBondContact NE2-OG 2.89Å |
| 2185 | L | 88.6 | Confident | 84.2 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 133.7 | 177.4 | -177.7 | 63.7 | 0 | 0 | 0 | 109.2 | L2045 L2150 E2178 E2180 L2191 L2192 | L2045-L2185 HydrophobicContact CB-CD2 4.02Å; L2150-L2185 HydrophobicContact CD1-CD2 3.73Å; E2178-L2185 WeakPolarHBondContact O-CD1 3.33Å; E2180-L2185 HydrophobicContact CB-CB 4.14Å; L2185-L2191 CarbonylContact O-C 3.43Å; L2185-L2192 PolarHBondContact N-O 3.34Å; L2185-L2192 PolarHBondContact O-N 2.93Å |
| 2186 | A | 82.5 | Confident | 83.6 | Confident | 46 Ų | 46 | 54 Ų | 54 | 38% | 0.38 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 136.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | I2190 L2191 L2205 | A2186-I2190 CarbonylContact C-O 3.48Å; A2186-I2190 WeakPolarHBondContact CA-O 3.36Å; A2186-L2191 HydrophobicContact CB-CD1 4.21Å; A2186-L2205 HydrophobicContact CB-CD1 4.2Å |
| 2187 | F | 87.3 | Confident | 83.2 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 126.4 | -179.6 | -170.3 | -101.7 | 0 | 0 | 0 | 109.9 | L2025 L2031 S2047 D2148 I2149 L2150 D2189 I2190 | L2025-F2187 HydrophobicContact CD1-CE1 4.29Å; L2031-F2187 HydrophobicContact CD2-CD1 3.42Å; L2031-F2187 VanDerWaalsContact CD2-CD1 3.42Å; L2031-F2187 HydrophobicContact CD2-CE1 3.6Å; S2047-F2187 WeakPolarHBondContact OG-CD2 3.29Å; D2148-F2187 HydrophobicContact CB-CE2 3.71Å; D2148-F2187 HydrophobicContact CB-CZ 3.8Å; I2149-F2187 WeakPolarHBondContact O-CE2 3.41Å; L2150-F2187 HydrophobicContact CB-CD1 4.22Å; L2150-F2187 HydrophobicContact CB-CD2 3.95Å; L2150-F2187 HydrophobicContact CB-CE1 4Å; L2150-F2187 HydrophobicContact CB-CE2 3.74Å; L2150-F2187 HydrophobicContact CB-CG 4.19Å; L2150-F2187 HydrophobicContact CB-CZ 3.75Å; L2150-F2187 HydrophobicContact CD1-CB 4.45Å; L2150-F2187 HydrophobicContact CD1-CD2 4.25Å; L2150-F2187 HydrophobicContact CD1-CG 4.25Å; F2187-D2189 PolarHBondContact O-N 3.38Å; F2187-D2189 VanDerWaalsContact O-N 3.12Å; F2187-I2190 HydrophobicContact CB-CG1 4.39Å; F2187-I2190 PolarHBondContact N-O 2.86Å; F2187-I2190 WeakPolarHBondContact O-CG1 3.31Å; F2187-I2190 PolarHBondContact O-N 3.12Å; F2187-I2190 VanDerWaalsContact O-O 3.1Å |
| 2188 | L | 85.1 | Confident | 82.5 | Confident | 31 Ų | 31 | 53.3 Ų | 53.3 | 16% | 0.162 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | -115.4 | -172.2 | -62.2 | 168.4 | 0 | 0 | 0 | 112.2 | T2028 Y2145 D2148 | T2028-L2188 HydrophobicContact CG2-CB 4.47Å; Y2145-L2188 HydrophobicContact CD1-CD1 4.48Å; Y2145-L2188 HydrophobicContact CD1-CD2 3.31Å; Y2145-L2188 HydrophobicContact CD2-CD1 4.39Å; Y2145-L2188 HydrophobicContact CE1-CD2 3.99Å; Y2145-L2188 HydrophobicContact CG-CD1 3.99Å; Y2145-L2188 HydrophobicContact CG-CD2 3.65Å; Y2145-L2188 HydrophobicContact CG-CG 4.46Å; D2148-L2188 HydrophobicContact CB-CD2 4.02Å; D2148-L2188 HydrophobicContact CB-CG 4.49Å; D2148-L2188 VanDerWaalsContact OD2-CD2 3.24Å; D2148-L2188 WeakPolarHBondContact OD2-CD2 3.36Å |
| 2189 | D | 74.1 | Confident | 82 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 14% | 0.144 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -7.8 | 174.4 | -75.9 | -34.1 | 0 | 0 | 0 | 112.5 | S1153 F2187 L2204 L2205 | S1153-D2189 WeakPolarHBondContact CB-OD2 3.33Å; S1153-D2189 PolarHBondContact OG-OD2 3.37Å; F2187-D2189 PolarHBondContact O-N 3.38Å; F2187-D2189 VanDerWaalsContact O-N 3.12Å; D2189-L2204 HydrophobicContact CB-CD1 3.57Å; D2189-L2204 HydrophobicContact CB-CD2 4.16Å; D2189-L2204 HydrophobicContact CB-CG 3.79Å; D2189-L2204 CarbonylContact O-C 3.46Å; D2189-L2204 WeakPolarHBondContact O-CA 3.24Å; D2189-L2204 WeakPolarHBondContact O-CD1 3.42Å; D2189-L2204 VanDerWaalsContact O-CG 3.29Å; D2189-L2204 WeakPolarHBondContact O-CG 3.28Å; D2189-L2205 VanDerWaalsContact O-CB 3.31Å; D2189-L2205 WeakPolarHBondContact O-CB 3.28Å; D2189-L2205 PolarHBondContact O-N 2.7Å |
| 2190 | I | 78 | Confident | 81.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 149.7 | -179.8 | 41.8 | -175.7 | 0 | 0 | 0 | 113.1 | T2028 L2031 I2032 A2186 F2187 L2192 R2202 L2204 | T2028-I2190 HydrophobicContact CG2-CB 4.35Å; T2028-I2190 HydrophobicContact CG2-CD1 3.81Å; T2028-I2190 HydrophobicContact CG2-CG1 3.75Å; T2028-I2190 HydrophobicContact CG2-CG2 4Å; L2031-I2190 HydrophobicContact CD2-CD1 3.8Å; L2031-I2190 HydrophobicContact CG-CD1 4.42Å; I2032-I2190 HydrophobicContact CD1-CG2 4.44Å; A2186-I2190 CarbonylContact C-O 3.48Å; A2186-I2190 WeakPolarHBondContact CA-O 3.36Å; F2187-I2190 HydrophobicContact CB-CG1 4.39Å; F2187-I2190 PolarHBondContact N-O 2.86Å; F2187-I2190 WeakPolarHBondContact O-CG1 3.31Å; F2187-I2190 PolarHBondContact O-N 3.12Å; F2187-I2190 VanDerWaalsContact O-O 3.1Å; I2190-L2192 HydrophobicContact CD1-CD2 3.66Å; I2190-L2192 HydrophobicContact CD1-CG 4.34Å; I2190-L2192 HydrophobicContact CG1-CD2 4.33Å; I2190-R2202 HydrophobicContact CG2-CB 4.45Å; I2190-L2204 HydrophobicContact CB-CD1 3.97Å; I2190-L2204 HydrophobicContact CG2-CD1 3.2Å; I2190-L2204 HydrophobicContact CG2-CG 4.47Å |
| 2191 | L | 82.8 | Confident | 81 | Confident | 39 Ų | 39 | 50.4 Ų | 50.4 | 20% | 0.204 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 113.7 | 154.1 | -178.5 | 74.6 | 0 | 0 | 0 | 107.7 | Q2184 L2185 A2186 Y2203 L2205 | Q2184-L2191 HydrophobicContact CB-CD1 4.17Å; L2185-L2191 CarbonylContact O-C 3.43Å; A2186-L2191 HydrophobicContact CB-CD1 4.21Å; L2191-Y2203 PolarHBondContact N-O 3.32Å; L2191-Y2203 PolarHBondContact O-N 2.81Å; L2191-L2205 HydrophobicContact CB-CD2 4.07Å; L2191-L2205 HydrophobicContact CB-CG 4.31Å |
| 2192 | L | 85.9 | Confident | 80.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 141.5 | 167.4 | -57.8 | -178.6 | 0 | 0 | 0 | 108.7 | L2035 L2045 L2150 Q2184 L2185 I2190 I2200 R2201 R2202 | L2035-L2192 HydrophobicContact CD1-CD2 3.81Å; L2045-L2192 HydrophobicContact CD1-CB 4.43Å; L2150-L2192 HydrophobicContact CD1-CD1 3.86Å; L2150-L2192 HydrophobicContact CD2-CD1 3.9Å; Q2184-L2192 VanDerWaalsContact CA-O 3.26Å; Q2184-L2192 WeakPolarHBondContact CA-O 3.16Å; L2185-L2192 PolarHBondContact N-O 3.34Å; L2185-L2192 PolarHBondContact O-N 2.93Å; I2190-L2192 HydrophobicContact CD1-CD2 3.66Å; I2190-L2192 HydrophobicContact CD1-CG 4.34Å; I2190-L2192 HydrophobicContact CG1-CD2 4.33Å; L2192-I2200 HydrophobicContact CB-CG2 4.2Å; L2192-I2200 HydrophobicContact CD2-CG2 3.94Å; L2192-R2201 CarbonylContact C-O 3.48Å; L2192-R2201 WeakPolarHBondContact CA-O 3.27Å; L2192-R2202 HydrophobicContact CD2-CG 4.09Å |
| 2193 | S | 81.9 | Confident | 79.9 | Confident | 10 Ų | 10 | 43 Ų | 43 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 122.7 | 177.5 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | G2183 Q2184 R2201 | G2183-S2193 WeakPolarHBondContact O-CA 3.31Å; Q2184-S2193 PolarHBondContact NE2-OG 2.89Å; S2193-R2201 PolarHBondContact N-O 2.97Å; S2193-R2201 PolarHBondContact O-N 2.84Å |
| 2194 | R | 84.3 | Confident | 78.5 | Confident | 57 Ų | 57 | 42 Ų | 42 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | trans | -59.3 | 157.5 | 174.4 | -172.2 | 177.4 | -68.4 | -84.9 | -5.3 | 111.7 | I2040 K2043 E2180 G2183 | I2040-R2194 HydrophobicContact CD1-CB 4.38Å; I2040-R2194 HydrophobicContact CD1-CG 4.3Å; I2040-R2194 PolarHBondContact O-NH1 3.18Å; K2043-R2194 VanDerWaalsContact O-CZ 3.27Å; K2043-R2194 PolarHBondContact O-NH1 3.22Å; K2043-R2194 PolarHBondContact O-NH2 2.9Å; E2180-R2194 IonicContact OE1-CZ 3.29Å; E2180-R2194 IonicContact OE1-NE 3.84Å; E2180-R2194 IonicContact OE1-NH2 3.82Å; E2180-R2194 PolarHBondContact OE1-NH2 2.94Å; E2180-R2194 IonicContact OE2-CZ 3.38Å; E2180-R2194 IonicContact OE2-NE 3.45Å; E2180-R2194 PolarHBondContact OE2-NE 2.91Å; E2180-R2194 VanDerWaalsContact OE2-NE 3.08Å; E2180-R2194 IonicContact OE2-NH2 3.98Å; E2180-R2194 PolarHBondContact OE2-NH2 2.76Å; G2183-R2194 WeakPolarHBondContact O-CB 3.47Å; G2183-R2194 PolarHBondContact O-N 2.72Å | ||
| 2195 | R | 80.6 | Confident | 77 | Confident | 89 Ų | 89 | 41.4 Ų | 41.4 | 34% | 0.336 | 20% | 0.204 | S | C | . | . | trans | -131 | 165.7 | 167.4 | -67.5 | -166.1 | -145.8 | 160.9 | 6.5 | 110.4 | D2197 G2198 T2199 R2201 | R2195-D2197 VanDerWaalsContact C-N 3.26Å; R2195-D2197 WeakPolarHBondContact CB-OD1 3.39Å; R2195-D2197 WeakPolarHBondContact CD-OD1 3.45Å; R2195-D2197 IonicContact CZ-OD2 3.36Å; R2195-D2197 IonicContact NH1-OD2 3.08Å; R2195-D2197 PolarHBondContact NH1-OD2 2.76Å; R2195-D2197 PolarHBondContact O-N 3.4Å; R2195-G2198 WeakPolarHBondContact O-CA 3.47Å; R2195-G2198 PolarHBondContact O-N 3.48Å; R2195-T2199 WeakPolarHBondContact CB-O 3.46Å; R2195-T2199 WeakPolarHBondContact CD-OG1 3.4Å; R2195-T2199 WeakPolarHBondContact CG-O 3.19Å; R2195-T2199 PolarHBondContact N-O 2.64Å; R2195-T2199 PolarHBondContact NE-OG1 2.75Å; R2195-T2199 PolarHBondContact NH1-OG1 2.78Å; R2195-T2199 VanDerWaalsContact NH1-OG1 3.16Å; R2195-R2201 HydrophobicContact CG-CG 3.98Å | ||
| 2196 | D | 77.3 | Confident | 74.8 | Confident | 165 Ų | 165 | 41.9 Ų | 41.9 | 88% | 0.882 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -27.8 | 178.2 | -31.1 | -64.7 | 0 | 0 | 0 | 112.5 | G2198 | D2196-G2198 PolarHBondContact O-N 2.92Š|
| 2197 | D | 77.8 | Confident | 72.9 | Confident | 79 Ų | 79 | 46.3 Ų | 46.3 | 42% | 0.422 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -2.2 | 171.9 | 62.9 | 20.4 | 0 | 0 | 0 | 113.6 | N2039 R2195 T2199 | N2039-D2197 PolarHBondContact ND2-O 2.76Å; R2195-D2197 VanDerWaalsContact C-N 3.26Å; R2195-D2197 WeakPolarHBondContact CB-OD1 3.39Å; R2195-D2197 WeakPolarHBondContact CD-OD1 3.45Å; R2195-D2197 IonicContact CZ-OD2 3.36Å; R2195-D2197 IonicContact NH1-OD2 3.08Å; R2195-D2197 PolarHBondContact NH1-OD2 2.76Å; R2195-D2197 PolarHBondContact O-N 3.4Å; D2197-T2199 VanDerWaalsContact C-N 3.29Å; D2197-T2199 VanDerWaalsContact CG-OG1 3.29Å; D2197-T2199 PolarHBondContact O-N 3.36Å; D2197-T2199 WeakPolarHBondContact OD1-CA 3.5Å; D2197-T2199 VanDerWaalsContact OD1-CB 3.25Å; D2197-T2199 WeakPolarHBondContact OD1-CB 3.39Å; D2197-T2199 WeakPolarHBondContact OD1-CG2 3.19Å; D2197-T2199 PolarHBondContact OD1-N 3.18Å; D2197-T2199 PolarHBondContact OD1-OG1 2.79Å; D2197-T2199 PolarHBondContact OD2-OG1 3.29Å |
| 2198 | G | 76.6 | Confident | 70.6 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 77.8 | 2.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | N2039 I2040 R2195 D2196 | N2039-G2198 WeakPolarHBondContact OD1-CA 3.31Å; N2039-G2198 PolarHBondContact OD1-O 3.49Å; I2040-G2198 WeakPolarHBondContact CG1-O 3.43Å; I2040-G2198 PolarHBondContact N-O 3.22Å; R2195-G2198 WeakPolarHBondContact O-CA 3.47Å; R2195-G2198 PolarHBondContact O-N 3.48Å; D2196-G2198 PolarHBondContact O-N 2.92Å |
| 2199 | T | 79.9 | Confident | 68.1 | Low | 48 Ų | 48 | 56 Ų | 56 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -87.4 | 150.5 | 179.3 | 70.6 | 0 | 0 | 0 | 0 | 113 | R2195 D2197 | R2195-T2199 WeakPolarHBondContact CB-O 3.46Å; R2195-T2199 WeakPolarHBondContact CD-OG1 3.4Å; R2195-T2199 WeakPolarHBondContact CG-O 3.19Å; R2195-T2199 PolarHBondContact N-O 2.64Å; R2195-T2199 PolarHBondContact NE-OG1 2.75Å; R2195-T2199 PolarHBondContact NH1-OG1 2.78Å; R2195-T2199 VanDerWaalsContact NH1-OG1 3.16Å; D2197-T2199 VanDerWaalsContact C-N 3.29Å; D2197-T2199 VanDerWaalsContact CG-OG1 3.29Å; D2197-T2199 PolarHBondContact O-N 3.36Å; D2197-T2199 WeakPolarHBondContact OD1-CA 3.5Å; D2197-T2199 VanDerWaalsContact OD1-CB 3.25Å; D2197-T2199 WeakPolarHBondContact OD1-CB 3.39Å; D2197-T2199 WeakPolarHBondContact OD1-CG2 3.19Å; D2197-T2199 PolarHBondContact OD1-N 3.18Å; D2197-T2199 PolarHBondContact OD1-OG1 2.79Å; D2197-T2199 PolarHBondContact OD2-OG1 3.29Å |
| 2200 | I | 77.2 | Confident | 65.9 | Low | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -94.3 | 117.7 | -173.7 | -49.7 | 176.1 | 0 | 0 | 0 | 111.8 | L2035 I2040 I2152 L2192 R2202 | L2035-I2200 HydrophobicContact CD2-CD1 3.96Å; I2040-I2200 HydrophobicContact CD1-CD1 4.23Å; I2040-I2200 HydrophobicContact CD1-CG1 3.76Å; I2040-I2200 HydrophobicContact CG1-CD1 4.43Å; I2040-I2200 HydrophobicContact CG1-CG1 3.9Å; I2040-I2200 HydrophobicContact CG2-CD1 3.83Å; I2040-I2200 HydrophobicContact CG2-CG1 4.18Å; I2152-I2200 HydrophobicContact CD1-CD1 4.29Å; L2192-I2200 HydrophobicContact CB-CG2 4.2Å; L2192-I2200 HydrophobicContact CD2-CG2 3.94Å; I2200-R2202 HydrophobicContact CG2-CG 4.41Å; I2200-R2202 PolarHBondContact O-NE 2.95Å |
| 2201 | R | 78.1 | Confident | 63.5 | Low | 112 Ų | 112 | 59.1 Ų | 59.1 | 42% | 0.423 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 144.6 | 163 | -65.5 | -172.2 | -176.1 | 158.5 | 4.8 | 110.6 | L2192 S2193 R2195 Y2203 | L2192-R2201 CarbonylContact C-O 3.48Å; L2192-R2201 WeakPolarHBondContact CA-O 3.27Å; S2193-R2201 PolarHBondContact N-O 2.97Å; S2193-R2201 PolarHBondContact O-N 2.84Å; R2195-R2201 HydrophobicContact CG-CG 3.98Å; R2201-Y2203 HydrophobicContact CB-CD2 4.4Å; R2201-Y2203 HydrophobicContact CB-CE2 3.73Å; R2201-Y2203 VanDerWaalsContact CD-OH 3.28Å; R2201-Y2203 WeakPolarHBondContact CD-OH 3.21Å |
| 2202 | R | 73 | Confident | 61 | Low | 43 Ų | 43 | 57.3 Ų | 57.3 | 16% | 0.162 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 116.3 | -174.9 | -64.7 | 157.7 | -126.4 | -158.3 | -5 | 107.6 | I2032 L2035 I2190 L2192 I2200 F2214 | I2032-R2202 PolarHBondContact O-NH1 2.78Å; L2035-R2202 VanDerWaalsContact O-CZ 3.23Å; L2035-R2202 PolarHBondContact O-NH1 3.02Å; L2035-R2202 VanDerWaalsContact O-NH1 3.1Å; L2035-R2202 PolarHBondContact O-NH2 3.29Å; I2190-R2202 HydrophobicContact CG2-CB 4.45Å; L2192-R2202 HydrophobicContact CD2-CG 4.09Å; I2200-R2202 HydrophobicContact CG2-CG 4.41Å; I2200-R2202 PolarHBondContact O-NE 2.95Å; R2202-F2214 WeakPolarHBondContact O-CB 3.42Å; R2202-F2214 PolarHBondContact O-N 3.29Å |
| 2203 | Y | 61.7 | Low | 58.4 | Low | 44 Ų | 44 | 58.6 Ų | 58.6 | 17% | 0.173 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 113.1 | 179.2 | -56.8 | -99 | 0 | 0 | 0 | 109.7 | L2191 R2201 L2205 D2213 | L2191-Y2203 PolarHBondContact N-O 3.32Å; L2191-Y2203 PolarHBondContact O-N 2.81Å; R2201-Y2203 HydrophobicContact CB-CD2 4.4Å; R2201-Y2203 HydrophobicContact CB-CE2 3.73Å; R2201-Y2203 VanDerWaalsContact CD-OH 3.28Å; R2201-Y2203 WeakPolarHBondContact CD-OH 3.21Å; Y2203-L2205 PolarHBondContact O-N 2.91Å; Y2203-D2213 HydrophobicContact CD1-CB 3.47Å; Y2203-D2213 VanDerWaalsContact CD1-CB 3.47Å; Y2203-D2213 HydrophobicContact CE1-CB 3.65Å |
| 2204 | L | 52.5 | Low | 56 | Low | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 122.2 | -177 | -150.3 | 76.5 | 0 | 0 | 0 | 111.1 | K1149 T2028 F2029 D2189 I2190 C2206 M2212 F2214 | K1149-L2204 HydrophobicContact CB-CD2 3.32Å; K1149-L2204 HydrophobicContact CD-CB 3.96Å; K1149-L2204 HydrophobicContact CD-CD2 3.31Å; K1149-L2204 HydrophobicContact CD-CG 3.83Å; K1149-L2204 HydrophobicContact CG-CD2 3.96Å; K1149-L2204 PolarHBondContact NZ-O 3.18Å; T2028-L2204 HydrophobicContact CG2-CD1 4.06Å; F2029-L2204 HydrophobicContact CZ-CD2 4.26Å; D2189-L2204 HydrophobicContact CB-CD1 3.57Å; D2189-L2204 HydrophobicContact CB-CD2 4.16Å; D2189-L2204 HydrophobicContact CB-CG 3.79Å; D2189-L2204 CarbonylContact O-C 3.46Å; D2189-L2204 WeakPolarHBondContact O-CA 3.24Å; D2189-L2204 WeakPolarHBondContact O-CD1 3.42Å; D2189-L2204 VanDerWaalsContact O-CG 3.29Å; D2189-L2204 WeakPolarHBondContact O-CG 3.28Å; I2190-L2204 HydrophobicContact CB-CD1 3.97Å; I2190-L2204 HydrophobicContact CG2-CD1 3.2Å; I2190-L2204 HydrophobicContact CG2-CG 4.47Å; L2204-C2206 PolarHBondContact O-N 3.47Å; L2204-M2212 PolarHBondContact N-O 2.81Å; L2204-F2214 HydrophobicContact CB-CD2 3.6Å; L2204-F2214 HydrophobicContact CB-CE2 3.06Å; L2204-F2214 HydrophobicContact CB-CZ 3.55Å; L2204-F2214 HydrophobicContact CD1-CE2 4.05Å; L2204-F2214 HydrophobicContact CD2-CE2 3.39Å; L2204-F2214 HydrophobicContact CD2-CZ 3.78Å; L2204-F2214 HydrophobicContact CG-CD2 4.43Å; L2204-F2214 HydrophobicContact CG-CE2 3.64Å; L2204-F2214 HydrophobicContact CG-CZ 4.21Å |
| 2205 | L | 51.6 | Low | 53.2 | Low | 61 Ų | 61 | 58.9 Ų | 58.9 | 32% | 0.319 | 28% | 0.277 | S | S | . | . | trans | -67.7 | 81.9 | -176.2 | -62.2 | 171 | 0 | 0 | 0 | 110.8 | A2186 D2189 L2191 Y2203 Y2207 | A2186-L2205 HydrophobicContact CB-CD1 4.2Å; D2189-L2205 VanDerWaalsContact O-CB 3.31Å; D2189-L2205 WeakPolarHBondContact O-CB 3.28Å; D2189-L2205 PolarHBondContact O-N 2.7Å; L2191-L2205 HydrophobicContact CB-CD2 4.07Å; L2191-L2205 HydrophobicContact CB-CG 4.31Å; Y2203-L2205 PolarHBondContact O-N 2.91Å; L2205-Y2207 PolarHBondContact O-N 3.14Å | ||
| 2206 | C | 43.6 | Very low | 50.7 | Low | 18 Ų | 18 | 57.7 Ų | 57.7 | 12% | 0.122 | 27% | 0.274 | C | S | . | . | trans | -64.8 | 131.8 | 168.1 | -142.4 | 0 | 0 | 0 | 0 | 108.8 | K1149 L2204 N2208 | K1149-C2206 WeakPolarHBondContact CE-SG 3.07Å; L2204-C2206 PolarHBondContact O-N 3.47Å; C2206-N2208 PolarHBondContact O-N 3.28Å | ||
| 2207 | Y | 41.6 | Very low | 48.1 | Very low | 138 Ų | 138 | 50.4 Ų | 50.4 | 54% | 0.541 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -71.5 | 43.7 | 173.8 | -98.9 | -78.7 | 0 | 0 | 0 | 113.7 | H1985 L2205 | H1985-Y2207 HydrophobicContact CB-CD1 4.16Å; H1985-Y2207 HydrophobicContact CB-CE1 3.3Å; H1985-Y2207 HydrophobicContact CB-CE2 4.46Å; H1985-Y2207 VanDerWaalsContact CB-CZ 3.49Å; H1985-Y2207 WeakPolarHBondContact CB-OH 3.36Å; L2205-Y2207 PolarHBondContact O-N 3.14Å |
| 2208 | N | 39.9 | Very low | 45.6 | Very low | 25 Ų | 25 | 49.5 Ų | 49.5 | 13% | 0.134 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -165 | 96.3 | -167.6 | -106.4 | -62.7 | 0 | 0 | 0 | 103.3 | L1178 K1182 C2206 L2210 | L1178-N2208 HydrophobicContact CD2-CB 4.45Å; L1178-N2208 VanDerWaalsContact CD2-ND2 3.32Å; L1178-N2208 WeakPolarHBondContact CD2-ND2 3.29Å; K1182-N2208 HydrophobicContact CD-CB 3.84Å; K1182-N2208 WeakPolarHBondContact CD-OD1 3.44Å; K1182-N2208 VanDerWaalsContact CE-OD1 3.25Å; K1182-N2208 WeakPolarHBondContact CE-OD1 3.44Å; K1182-N2208 HydrophobicContact CG-CB 4.14Å; K1182-N2208 PolarHBondContact NZ-OD1 3.47Å; C2206-N2208 PolarHBondContact O-N 3.28Å; N2208-L2210 CarbonylContact O-C 2.9Å; N2208-L2210 WeakPolarHBondContact O-CA 3.33Å; N2208-L2210 PolarHBondContact O-N 3.07Å |
| 2209 | K | 31.3 | Very low | 43.1 | Very low | 215 Ų | 215 | 52.1 Ų | 52.1 | 94% | 0.935 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -33.7 | -15.5 | -159.4 | -66.4 | -176 | 176.5 | 178.3 | 0 | 120 | S2211 | K2209-S2211 VanDerWaalsContact C-N 3.31Å; K2209-S2211 PolarHBondContact O-N 3.24Å |
| 2210 | L | 28 | Very low | 41.3 | Very low | 41 Ų | 41 | 52.3 Ų | 52.3 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | trans | -65.5 | 80.6 | 163.4 | -68.9 | 167.4 | 0 | 0 | 0 | 111.8 | K1182 K1185 E1186 N2208 M2212 | K1182-L2210 HydrophobicContact CD-CD1 4.21Å; K1182-L2210 HydrophobicContact CG-CD1 3.73Å; K1185-L2210 HydrophobicContact CB-CB 3.97Å; K1185-L2210 HydrophobicContact CB-CD2 4.36Å; K1185-L2210 VanDerWaalsContact CD-C 3.47Å; K1185-L2210 HydrophobicContact CD-CB 3.53Å; K1185-L2210 HydrophobicContact CD-CD2 3.75Å; K1185-L2210 HydrophobicContact CD-CG 4.22Å; K1185-L2210 HydrophobicContact CG-CB 4.23Å; K1185-L2210 HydrophobicContact CG-CD2 4.23Å; E1186-L2210 WeakPolarHBondContact OE1-CD1 3.4Å; N2208-L2210 CarbonylContact O-C 2.9Å; N2208-L2210 WeakPolarHBondContact O-CA 3.33Å; N2208-L2210 PolarHBondContact O-N 3.07Å; L2210-M2212 VanDerWaalsContact C-N 3.32Å; L2210-M2212 PolarHBondContact O-N 3.35Å | ||
| 2211 | S | 27.3 | Very low | 39.4 | Very low | 51 Ų | 51 | 54.7 Ų | 54.7 | 36% | 0.357 | 25% | 0.248 | S | C | . | . | trans | -61.1 | 80.7 | 167.8 | 48.9 | 0 | 0 | 0 | 0 | 112.3 | K1185 K2209 D2213 | K1185-S2211 WeakPolarHBondContact CE-O 3.33Å; K1185-S2211 VanDerWaalsContact NZ-C 3.35Å; K1185-S2211 PolarHBondContact NZ-O 3.46Å; K1185-S2211 PolarHBondContact NZ-OG 3.33Å; K2209-S2211 VanDerWaalsContact C-N 3.31Å; K2209-S2211 PolarHBondContact O-N 3.24Å; S2211-D2213 PolarHBondContact O-N 3.15Å; S2211-D2213 VanDerWaalsContact O-N 3.11Å | ||
| 2212 | M | 31.3 | Very low | 37.3 | Very low | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 106.7 | -172.8 | -168 | 178.4 | -21.7 | 0 | 0 | 110.5 | L1145 A1181 H1184 K1185 L2204 L2210 | L1145-M2212 HydrophobicContact CB-CE 4.34Å; L1145-M2212 HydrophobicContact CB-SD 3.92Å; L1145-M2212 HydrophobicContact CD1-CE 3.5Å; L1145-M2212 HydrophobicContact CD1-SD 4.18Å; L1145-M2212 HydrophobicContact CD2-CB 3.42Å; L1145-M2212 VanDerWaalsContact CD2-CB 3.42Å; L1145-M2212 HydrophobicContact CD2-CE 3.42Å; L1145-M2212 VanDerWaalsContact CD2-CE 3.42Å; L1145-M2212 HydrophobicContact CD2-CG 3.52Å; L1145-M2212 HydrophobicContact CD2-SD 3.26Å; L1145-M2212 WeakPolarHBondContact CD2-SD 3.27Å; L1145-M2212 HydrophobicContact CG-CE 3.88Å; L1145-M2212 HydrophobicContact CG-SD 3.91Å; A1181-M2212 WeakPolarHBondContact O-CE 3.42Å; H1184-M2212 VanDerWaalsContact C-CE 3.47Å; H1184-M2212 HydrophobicContact CB-CE 3.76Å; H1184-M2212 HydrophobicContact CB-SD 3.62Å; K1185-M2212 WeakPolarHBondContact CA-SD 3.43Å; K1185-M2212 HydrophobicContact CB-CB 3.86Å; K1185-M2212 HydrophobicContact CB-CE 3.66Å; K1185-M2212 HydrophobicContact CB-CG 3.77Å; K1185-M2212 HydrophobicContact CB-SD 4Å; K1185-M2212 HydrophobicContact CD-CB 4Å; K1185-M2212 HydrophobicContact CD-CG 4.49Å; K1185-M2212 HydrophobicContact CG-CB 3.91Å; K1185-M2212 HydrophobicContact CG-CG 3.88Å; K1185-M2212 PolarHBondContact N-SD 2.97Å; L2204-M2212 PolarHBondContact N-O 2.81Å; L2210-M2212 VanDerWaalsContact C-N 3.32Å; L2210-M2212 PolarHBondContact O-N 3.35Å |
| 2213 | D | 30.2 | Very low | 35.2 | Very low | 27 Ų | 27 | 52 Ų | 52 | 14% | 0.144 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -48.3 | 140 | 173.4 | 172.4 | -0.7 | 0 | 0 | 0 | 112.2 | K1142 Y2203 S2211 | K1142-D2213 WeakPolarHBondContact CD-O 3.49Å; K1142-D2213 WeakPolarHBondContact CE-O 2.95Å; K1142-D2213 VanDerWaalsContact CG-O 3.25Å; K1142-D2213 WeakPolarHBondContact CG-O 3.31Å; K1142-D2213 PolarHBondContact NZ-O 3.41Å; K1142-D2213 IonicContact NZ-OD1 2.9Å; K1142-D2213 PolarHBondContact NZ-OD1 2.77Å; K1142-D2213 IonicContact NZ-OD2 2.99Å; K1142-D2213 PolarHBondContact NZ-OD2 3.48Å; Y2203-D2213 HydrophobicContact CD1-CB 3.47Å; Y2203-D2213 VanDerWaalsContact CD1-CB 3.47Å; Y2203-D2213 HydrophobicContact CE1-CB 3.65Å; S2211-D2213 PolarHBondContact O-N 3.15Å; S2211-D2213 VanDerWaalsContact O-N 3.11Å |
| 2214 | F | 33 | Very low | 33.5 | Very low | 14 Ų | 14 | 52.5 Ų | 52.5 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 132.2 | 176.4 | -73.9 | -29.2 | 0 | 0 | 0 | 115.3 | K1142 L1145 E1146 K1149 R2202 L2204 | K1142-F2214 HydrophobicContact CB-CD1 4.13Å; K1142-F2214 VanDerWaalsContact O-CE1 3.24Å; K1142-F2214 WeakPolarHBondContact O-CE1 3.01Å; L1145-F2214 HydrophobicContact CB-CE1 3.81Å; L1145-F2214 HydrophobicContact CB-CZ 4.38Å; L1145-F2214 HydrophobicContact CD2-CD1 4.23Å; L1145-F2214 HydrophobicContact CD2-CE1 3.22Å; L1145-F2214 HydrophobicContact CD2-CZ 3.63Å; L1145-F2214 HydrophobicContact CG-CE1 3.67Å; L1145-F2214 HydrophobicContact CG-CZ 3.91Å; E1146-F2214 HydrophobicContact CB-CD1 4.34Å; E1146-F2214 HydrophobicContact CB-CD2 4.38Å; E1146-F2214 HydrophobicContact CB-CE1 3.85Å; E1146-F2214 HydrophobicContact CB-CE2 3.85Å; E1146-F2214 HydrophobicContact CB-CZ 3.65Å; E1146-F2214 VanDerWaalsContact CD-CE2 3.46Å; E1146-F2214 HydrophobicContact CG-CD1 4.23Å; E1146-F2214 HydrophobicContact CG-CD2 3.54Å; E1146-F2214 HydrophobicContact CG-CE1 4.07Å; E1146-F2214 HydrophobicContact CG-CE2 3.3Å; E1146-F2214 HydrophobicContact CG-CG 4.02Å; E1146-F2214 HydrophobicContact CG-CZ 3.68Å; E1146-F2214 VanDerWaalsContact N-CE1 3.33Å; E1146-F2214 VanDerWaalsContact N-CZ 3.28Å; E1146-F2214 VanDerWaalsContact OE1-CB 3.28Å; E1146-F2214 WeakPolarHBondContact OE1-CB 3.42Å; E1146-F2214 WeakPolarHBondContact OE1-CD2 3.47Å; E1146-F2214 VanDerWaalsContact OE1-CG 3.25Å; E1146-F2214 WeakPolarHBondContact OE1-CG 3.24Å; E1146-F2214 WeakPolarHBondContact OE2-CB 3.21Å; E1146-F2214 WeakPolarHBondContact OE2-CD1 3.47Å; E1146-F2214 VanDerWaalsContact OE2-CG 3.26Å; E1146-F2214 WeakPolarHBondContact OE2-CG 3.22Å; K1149-F2214 HydrophobicContact CD-CZ 4.16Å; R2202-F2214 WeakPolarHBondContact O-CB 3.42Å; R2202-F2214 PolarHBondContact O-N 3.29Å; L2204-F2214 HydrophobicContact CB-CD2 3.6Å; L2204-F2214 HydrophobicContact CB-CE2 3.06Å; L2204-F2214 HydrophobicContact CB-CZ 3.55Å; L2204-F2214 HydrophobicContact CD1-CE2 4.05Å; L2204-F2214 HydrophobicContact CD2-CE2 3.39Å; L2204-F2214 HydrophobicContact CD2-CZ 3.78Å; L2204-F2214 HydrophobicContact CG-CD2 4.43Å; L2204-F2214 HydrophobicContact CG-CE2 3.64Å; L2204-F2214 HydrophobicContact CG-CZ 4.21Å |
| 2215 | K | 25.8 | Very low | 32.2 | Very low | 58 Ų | 58 | 56 Ų | 56 | 25% | 0.252 | 26% | 0.264 | S | S | . | . | trans | -138.1 | 97.2 | 174.5 | -84 | 178.1 | 173.8 | -174.3 | 0 | 104.4 | I1138 A1139 K1142 L1192 S2217 | I1138-K2215 HydrophobicContact CG2-CD 3.78Å; A1139-K2215 WeakPolarHBondContact CA-O 3.34Å; A1139-K2215 HydrophobicContact CB-CB 4.47Å; A1139-K2215 WeakPolarHBondContact CB-O 3.4Å; K1142-K2215 HydrophobicContact CD-CB 3.57Å; K1142-K2215 HydrophobicContact CD-CD 4.4Å; K1142-K2215 HydrophobicContact CD-CG 4.18Å; L1192-K2215 VanDerWaalsContact CD1-NZ 3.28Å; K2215-S2217 PolarHBondContact O-N 2.93Å | ||
| 2216 | F | 26.8 | Very low | 30.9 | Very low | 64 Ų | 64 | 55.6 Ų | 55.6 | 28% | 0.281 | 26% | 0.26 | S | S | . | . | trans | -56.6 | 96.3 | 138.2 | -89.8 | -111.2 | 0 | 0 | 0 | 107.2 | V1143 E1146 N1229 K1233 | V1143-F2216 HydrophobicContact CB-CE2 4.34Å; V1143-F2216 HydrophobicContact CB-CZ 4.44Å; V1143-F2216 HydrophobicContact CG1-CE1 4.22Å; V1143-F2216 HydrophobicContact CG1-CE2 3.97Å; V1143-F2216 HydrophobicContact CG1-CZ 3.64Å; V1143-F2216 HydrophobicContact CG2-CD1 4.36Å; V1143-F2216 HydrophobicContact CG2-CD2 3.82Å; V1143-F2216 HydrophobicContact CG2-CE1 4.35Å; V1143-F2216 HydrophobicContact CG2-CE2 3.83Å; V1143-F2216 HydrophobicContact CG2-CG 4.06Å; V1143-F2216 HydrophobicContact CG2-CZ 4.08Å; E1146-F2216 HydrophobicContact CB-CE2 4.29Å; E1146-F2216 HydrophobicContact CG-CD2 4.48Å; E1146-F2216 HydrophobicContact CG-CE2 3.78Å; E1146-F2216 VanDerWaalsContact OE2-CD2 3.3Å; E1146-F2216 WeakPolarHBondContact OE2-CD2 3.09Å; E1146-F2216 VanDerWaalsContact OE2-CE2 3.31Å; E1146-F2216 WeakPolarHBondContact OE2-CE2 3.18Å; N1229-F2216 HydrophobicContact CB-CB 4.4Å; N1229-F2216 HydrophobicContact CB-CD1 3.26Å; N1229-F2216 HydrophobicContact CB-CE1 3.47Å; N1229-F2216 VanDerWaalsContact CB-CE1 3.47Å; N1229-F2216 HydrophobicContact CB-CG 3.96Å; N1229-F2216 HydrophobicContact CB-CZ 4.33Å; N1229-F2216 WeakPolarHBondContact ND2-CA 3.37Å; N1229-F2216 WeakPolarHBondContact ND2-CB 3.39Å; K1233-F2216 HydrophobicContact CD-CE1 3.69Å; K1233-F2216 HydrophobicContact CD-CZ 3.65Å; K1233-F2216 HydrophobicContact CG-CE1 4.13Å; K1233-F2216 HydrophobicContact CG-CZ 3.86Å | ||
| 2217 | S | 22.9 | Very low | 29.9 | Very low | 13 Ų | 13 | 58.5 Ų | 58.5 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | trans | -150.9 | 40.2 | 179.4 | 103.5 | 0 | 0 | 0 | 0 | 115.9 | K1135 A1139 V1225 N1229 K2215 | K1135-S2217 VanDerWaalsContact O-O 3.13Å; K1135-S2217 PolarHBondContact O-OG 3.28Å; A1139-S2217 VanDerWaalsContact CB-O 3.26Å; A1139-S2217 WeakPolarHBondContact CB-O 3.5Å; A1139-S2217 VanDerWaalsContact CB-OG 3.3Å; A1139-S2217 WeakPolarHBondContact CB-OG 3.45Å; V1225-S2217 VanDerWaalsContact CA-C 3.43Å; V1225-S2217 VanDerWaalsContact CG1-C 3.42Å; V1225-S2217 VanDerWaalsContact CG1-CB 3.47Å; V1225-S2217 WeakPolarHBondContact CG1-O 3.22Å; V1225-S2217 VanDerWaalsContact CG2-O 3.31Å; V1225-S2217 WeakPolarHBondContact CG2-O 3.24Å; V1225-S2217 CarbonylContact O-C 3.32Å; V1225-S2217 WeakPolarHBondContact O-CA 3.5Å; N1229-S2217 PolarHBondContact ND2-N 2.9Å; N1229-S2217 PolarHBondContact OD1-N 2.75Å; K2215-S2217 PolarHBondContact O-N 2.93Å | ||
| 2218 | Y | 25.3 | Very low | 28.9 | Very low | 60 Ų | 60 | 51.9 Ų | 51.9 | 24% | 0.235 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -139.7 | 130.2 | 175.1 | -146.7 | -31.9 | 0 | 0 | 0 | 111.2 | C1136 S1140 V1224 V1225 A1226 T1228 N1229 | C1136-Y2218 VanDerWaalsContact C-CD2 3.43Å; C1136-Y2218 HydrophobicContact CB-CD1 3.67Å; C1136-Y2218 HydrophobicContact CB-CD2 4.28Å; C1136-Y2218 HydrophobicContact CB-CE1 3.4Å; C1136-Y2218 VanDerWaalsContact CB-CE1 3.4Å; C1136-Y2218 HydrophobicContact CB-CE2 4.06Å; C1136-Y2218 HydrophobicContact CB-CG 4.1Å; C1136-Y2218 WeakPolarHBondContact O-CD2 3.16Å; C1136-Y2218 VanDerWaalsContact O-CE2 3.28Å; C1136-Y2218 WeakPolarHBondContact O-CE2 3.37Å; S1140-Y2218 VanDerWaalsContact CB-CD2 3.42Å; V1224-Y2218 CarbonylContact O-C 3.48Å; V1225-Y2218 CarbonylContact C-O 3.53Å; V1225-Y2218 VanDerWaalsContact CA-N 3.31Å; V1225-Y2218 PolarHBondContact O-N 3.18Å; A1226-Y2218 CarbonylContact C-O 3.47Å; A1226-Y2218 WeakPolarHBondContact CA-O 3.5Å; A1226-Y2218 PolarHBondContact N-O 2.81Å; T1228-Y2218 CarbonylContact C-O 3.46Å; T1228-Y2218 VanDerWaalsContact CA-O 3.31Å; T1228-Y2218 WeakPolarHBondContact CA-O 3.33Å; T1228-Y2218 VanDerWaalsContact CB-CD1 3.5Å; T1228-Y2218 HydrophobicContact CG2-CD1 3.42Å; T1228-Y2218 VanDerWaalsContact CG2-CD1 3.42Å; T1228-Y2218 HydrophobicContact CG2-CD2 3.73Å; T1228-Y2218 HydrophobicContact CG2-CE1 3.82Å; T1228-Y2218 HydrophobicContact CG2-CE2 4.12Å; T1228-Y2218 HydrophobicContact CG2-CG 3.37Å; T1228-Y2218 PolarHBondContact N-O 3.31Å; N1229-Y2218 VanDerWaalsContact CG-O 3.29Å; N1229-Y2218 PolarHBondContact N-O 3.29Å; N1229-Y2218 PolarHBondContact ND2-N 3.14Å; N1229-Y2218 WeakPolarHBondContact OD1-CB 3.44Å; N1229-Y2218 PolarHBondContact OD1-N 3.28Å; N1229-Y2218 PolarHBondContact OD1-O 3.47Å |
| 2219 | M | 25.1 | Very low | 27.9 | Very low | 54 Ų | 54 | 54.4 Ų | 54.4 | 27% | 0.266 | 26% | 0.258 | S | S | . | . | trans | -117.4 | 0 | 173.3 | -97 | -109.2 | 177.2 | 0 | 0 | 111.3 | S1222 T1223 V1224 V1225 A1226 K1227 T1228 | S1222-M2219 VanDerWaalsContact O-CG 3.26Å; S1222-M2219 WeakPolarHBondContact O-CG 3.41Å; T1223-M2219 HydrophobicContact CG2-CE 3.64Å; T1223-M2219 HydrophobicContact CG2-CG 4.28Å; T1223-M2219 HydrophobicContact CG2-SD 3.28Å; T1223-M2219 WeakPolarHBondContact CG2-SD 3.45Å; T1223-M2219 WeakPolarHBondContact O-CB 3.41Å; T1223-M2219 WeakPolarHBondContact O-CG 3.43Å; T1223-M2219 VanDerWaalsContact O-SD 3.39Å; V1224-M2219 HydrophobicContact CB-CB 4.45Å; V1224-M2219 VanDerWaalsContact N-CB 3.35Å; V1224-M2219 PolarHBondContact O-N 2.84Å; V1225-M2219 VanDerWaalsContact CA-N 3.29Å; V1225-M2219 VanDerWaalsContact N-CB 3.34Å; V1225-M2219 VanDerWaalsContact N-N 3.13Å; A1226-M2219 VanDerWaalsContact C-CG 3.45Å; A1226-M2219 HydrophobicContact CB-CE 3.79Å; A1226-M2219 HydrophobicContact CB-CG 3.68Å; K1227-M2219 HydrophobicContact CB-CB 3.48Å; K1227-M2219 VanDerWaalsContact CB-CB 3.48Å; K1227-M2219 HydrophobicContact CB-CG 3.53Å; K1227-M2219 WeakPolarHBondContact CB-O 3.48Å; K1227-M2219 HydrophobicContact CB-SD 3.31Å; K1227-M2219 WeakPolarHBondContact CB-SD 3.15Å; K1227-M2219 HydrophobicContact CD-SD 3.8Å; K1227-M2219 WeakPolarHBondContact CE-SD 3.28Å; K1227-M2219 HydrophobicContact CG-CG 4.27Å; K1227-M2219 HydrophobicContact CG-SD 3.35Å; K1227-M2219 WeakPolarHBondContact CG-SD 3.36Å; K1227-M2219 PolarHBondContact N-SD 2.75Å; K1227-M2219 VanDerWaalsContact N-SD 3.4Å; K1227-M2219 PolarHBondContact NZ-O 2.93Å; K1227-M2219 PolarHBondContact NZ-SD 3.36Å; K1227-M2219 VanDerWaalsContact NZ-SD 3.4Å; T1228-M2219 WeakPolarHBondContact CB-OXT 3.12Å; T1228-M2219 PolarHBondContact OG1-OXT 3.33Å |
Retrieved 2,219 of 2,219 residues in 2898 ms
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