| 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 | 50 | Low | 72.1 | Confident | 197 Ų | 197 | 110.6 Ų | 110.6 | 97% | 0.97 | 60% | 0.602 | S | S | * | * | 0 | 110.3 | 0 | -58.5 | -61.8 | -118.6 | 0 | 0 | 107.1 | |||||
| 2 | S | 58.8 | Low | 73.5 | Confident | 55 Ų | 55 | 109.3 Ų | 109.3 | 39% | 0.385 | 59% | 0.593 | S | S | . | * | trans | -68.9 | 161.8 | -174.7 | 71.4 | 0 | 0 | 0 | 0 | 110.6 | E4 D5 | S2-E4 PolarHBondContact O-N 3.33Å; S2-D5 PolarHBondContact N-OD2 3.39Å; S2-D5 PolarHBondContact O-N 3.4Å; S2-D5 PolarHBondContact OG-N 3.29Å; S2-D5 PolarHBondContact OG-OD2 3.35Å | ||
| 3 | G | 65.8 | Low | 74.5 | Confident | 62 Ų | 62 | 108.7 Ų | 108.7 | 64% | 0.639 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.3 | -24.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A7 | G3-A7 PolarHBondContact O-N 3.16Å |
| 4 | E | 63.1 | Low | 75.5 | Confident | 156 Ų | 156 | 108.4 Ų | 108.4 | 73% | 0.729 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -72.2 | -39.6 | 177.6 | -64.3 | 179.9 | 164.4 | 0 | 0 | 111.5 | S2 K6 A7 V8 | S2-E4 PolarHBondContact O-N 3.33Å; E4-K6 VanDerWaalsContact C-N 3.28Å; E4-K6 PolarHBondContact O-N 3.03Å; E4-A7 PolarHBondContact O-N 3.43Å; E4-V8 WeakPolarHBondContact O-CG2 3.45Å; E4-V8 PolarHBondContact O-N 2.95Å; E4-V8 VanDerWaalsContact O-N 3.1Å |
| 5 | D | 63.7 | Low | 76.2 | Confident | 83 Ų | 83 | 112 Ų | 112 | 44% | 0.444 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.7 | -38.4 | 176.9 | -59.8 | -43 | 0 | 0 | 0 | 111.7 | S2 V8 E9 | S2-D5 PolarHBondContact N-OD2 3.39Å; S2-D5 PolarHBondContact O-N 3.4Å; S2-D5 PolarHBondContact OG-N 3.29Å; S2-D5 PolarHBondContact OG-OD2 3.35Å; D5-V8 PolarHBondContact O-N 3.37Å; D5-E9 WeakPolarHBondContact O-CB 3.4Å; D5-E9 PolarHBondContact O-N 3.05Å |
| 6 | K | 76.1 | Confident | 76.7 | Confident | 138 Ų | 138 | 110.8 Ų | 110.8 | 60% | 0.6 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.1 | -33.9 | 178.1 | -67.7 | -175 | 178.9 | -177.5 | 0 | 112.9 | E4 L10 | E4-K6 VanDerWaalsContact C-N 3.28Å; E4-K6 PolarHBondContact O-N 3.03Å; K6-L10 WeakPolarHBondContact O-CB 3.26Å; K6-L10 PolarHBondContact O-N 3.37Å |
| 7 | A | 81.1 | Confident | 77.1 | Confident | 58 Ų | 58 | 109.8 Ų | 109.8 | 48% | 0.479 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.1 | -39.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | G3 E4 L10 Q11 | G3-A7 PolarHBondContact O-N 3.16Å; E4-A7 PolarHBondContact O-N 3.43Å; A7-L10 PolarHBondContact O-N 3.3Å; A7-Q11 WeakPolarHBondContact O-CB 3.35Å; A7-Q11 PolarHBondContact O-N 3.02Å |
| 8 | V | 85.6 | Confident | 77.8 | Confident | 95 Ų | 95 | 106.1 Ų | 106.1 | 58% | 0.576 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.3 | -42.2 | 174.9 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | E4 D5 Q11 L12 | E4-V8 WeakPolarHBondContact O-CG2 3.45Å; E4-V8 PolarHBondContact O-N 2.95Å; E4-V8 VanDerWaalsContact O-N 3.1Å; D5-V8 PolarHBondContact O-N 3.37Å; V8-Q11 PolarHBondContact O-N 3.44Å; V8-L12 WeakPolarHBondContact O-CB 3.42Å; V8-L12 PolarHBondContact O-N 3.13Å |
| 9 | E | 81.5 | Confident | 78.4 | Confident | 131 Ų | 131 | 105.9 Ų | 105.9 | 61% | 0.612 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.7 | -42.5 | 176.7 | -170.6 | 166.2 | -154.2 | 0 | 0 | 111.9 | D5 Q11 L12 Q13 | D5-E9 WeakPolarHBondContact O-CB 3.4Å; D5-E9 PolarHBondContact O-N 3.05Å; E9-Q11 PolarHBondContact O-N 3.45Å; E9-L12 PolarHBondContact O-N 3.04Å; E9-Q13 WeakPolarHBondContact O-CB 3.26Å; E9-Q13 PolarHBondContact O-N 2.89Å |
| 10 | L | 84.6 | Confident | 78.8 | Confident | 99 Ų | 99 | 105.2 Ų | 105.2 | 52% | 0.518 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 174.9 | -175.2 | 65.3 | 0 | 0 | 0 | 112 | K6 A7 L12 Q13 I14 | K6-L10 WeakPolarHBondContact O-CB 3.26Å; K6-L10 PolarHBondContact O-N 3.37Å; A7-L10 PolarHBondContact O-N 3.3Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-Q13 PolarHBondContact O-N 3.07Å; L10-I14 HydrophobicContact CG-CD1 4.15Å; L10-I14 VanDerWaalsContact O-CG1 3.28Å; L10-I14 WeakPolarHBondContact O-CG1 3.27Å; L10-I14 PolarHBondContact O-N 3.28Å |
| 11 | Q | 83.2 | Confident | 79.3 | Confident | 143 Ų | 143 | 104.7 Ų | 104.7 | 67% | 0.668 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66 | -38.2 | 177.5 | -169.6 | 175 | 7.3 | 0 | 0 | 111.9 | A7 V8 E9 R15 | A7-Q11 WeakPolarHBondContact O-CB 3.35Å; A7-Q11 PolarHBondContact O-N 3.02Å; V8-Q11 PolarHBondContact O-N 3.44Å; E9-Q11 PolarHBondContact O-N 3.45Å; Q11-R15 PolarHBondContact O-N 3.34Å; Q11-R15 VanDerWaalsContact O-N 3.13Å |
| 12 | L | 89.2 | Confident | 81.1 | Confident | 95 Ų | 95 | 100.9 Ų | 100.9 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 174.4 | -173.3 | 66.8 | 0 | 0 | 0 | 111.2 | V8 E9 L10 R15 Q16 | V8-L12 WeakPolarHBondContact O-CB 3.42Å; V8-L12 PolarHBondContact O-N 3.13Å; E9-L12 PolarHBondContact O-N 3.04Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L12-R15 PolarHBondContact O-N 2.6Å; L12-Q16 WeakPolarHBondContact O-CG 3.42Å; L12-Q16 PolarHBondContact O-N 2.7Å |
| 13 | Q | 86.1 | Confident | 82.4 | Confident | 101 Ų | 101 | 101 Ų | 101 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 178.1 | -167.5 | 178.4 | 10.7 | 0 | 0 | 112.2 | E9 L10 R15 Q16 N17 | E9-Q13 WeakPolarHBondContact O-CB 3.26Å; E9-Q13 PolarHBondContact O-N 2.89Å; L10-Q13 PolarHBondContact O-N 3.07Å; Q13-R15 VanDerWaalsContact C-N 3.29Å; Q13-R15 PolarHBondContact O-N 3.38Å; Q13-Q16 PolarHBondContact O-N 3.35Å; Q13-N17 WeakPolarHBondContact O-CB 3.47Å; Q13-N17 PolarHBondContact O-N 2.93Å; Q13-N17 PolarHBondContact O-ND2 3.34Å; Q13-N17 PolarHBondContact O-OD1 3.31Å |
| 14 | I | 87.9 | Confident | 83.6 | Confident | 104 Ų | 104 | 104.3 Ų | 104.3 | 53% | 0.533 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 175.1 | -69.6 | 165.3 | 0 | 0 | 0 | 110.8 | L10 A18 | L10-I14 HydrophobicContact CG-CD1 4.15Å; L10-I14 VanDerWaalsContact O-CG1 3.28Å; L10-I14 WeakPolarHBondContact O-CG1 3.27Å; L10-I14 PolarHBondContact O-N 3.28Å; I14-A18 WeakPolarHBondContact O-CB 3.45Å; I14-A18 PolarHBondContact O-N 3.04Å |
| 15 | R | 86.9 | Confident | 84.9 | Confident | 163 Ų | 163 | 101.4 Ų | 101.4 | 62% | 0.615 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.7 | -44 | 177.6 | -174.8 | 177.9 | 176.2 | 162.2 | 3.6 | 112 | Q11 L12 Q13 A18 E19 | Q11-R15 PolarHBondContact O-N 3.34Å; Q11-R15 VanDerWaalsContact O-N 3.13Å; L12-R15 PolarHBondContact O-N 2.6Å; Q13-R15 VanDerWaalsContact C-N 3.29Å; Q13-R15 PolarHBondContact O-N 3.38Å; R15-A18 PolarHBondContact O-N 2.85Å; R15-E19 WeakPolarHBondContact CG-OE1 3.45Å; R15-E19 IonicContact CZ-OE1 3.29Å; R15-E19 IonicContact NE-OE1 3.64Å; R15-E19 PolarHBondContact NE-OE1 2.74Å; R15-E19 IonicContact NH2-OE1 2.61Å; R15-E19 WeakPolarHBondContact O-CG 3.36Å; R15-E19 PolarHBondContact O-N 3.29Å |
| 16 | Q | 83.3 | Confident | 86.3 | Confident | 92 Ų | 92 | 105.5 Ų | 105.5 | 43% | 0.43 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 175.4 | -74 | 172.3 | -11.2 | 0 | 0 | 111.2 | L12 Q13 A18 E19 D20 | L12-Q16 WeakPolarHBondContact O-CG 3.42Å; L12-Q16 PolarHBondContact O-N 2.7Å; Q13-Q16 PolarHBondContact O-N 3.35Å; Q16-A18 VanDerWaalsContact C-N 3.26Å; Q16-A18 PolarHBondContact O-N 2.91Å; Q16-E19 PolarHBondContact O-N 3.28Å; Q16-D20 WeakPolarHBondContact O-CB 3.31Å; Q16-D20 VanDerWaalsContact O-CG 3.3Å; Q16-D20 PolarHBondContact O-N 2.96Å |
| 17 | N | 84.3 | Confident | 86.8 | Confident | 95 Ų | 95 | 104.4 Ų | 104.4 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.9 | -35.9 | 176.3 | -70.6 | -12.4 | 0 | 0 | 0 | 112.6 | Q13 L21 | Q13-N17 WeakPolarHBondContact O-CB 3.47Å; Q13-N17 PolarHBondContact O-N 2.93Å; Q13-N17 PolarHBondContact O-ND2 3.34Å; Q13-N17 PolarHBondContact O-OD1 3.31Å; N17-L21 WeakPolarHBondContact O-CB 3.48Å; N17-L21 PolarHBondContact O-N 2.9Å |
| 18 | A | 90.3 | Very high | 87.3 | Confident | 43 Ų | 43 | 106.9 Ų | 106.9 | 36% | 0.355 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.3 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I14 R15 Q16 D20 L21 H22 | I14-A18 WeakPolarHBondContact O-CB 3.45Å; I14-A18 PolarHBondContact O-N 3.04Å; R15-A18 PolarHBondContact O-N 2.85Å; Q16-A18 VanDerWaalsContact C-N 3.26Å; Q16-A18 PolarHBondContact O-N 2.91Å; A18-D20 VanDerWaalsContact C-N 3.34Å; A18-L21 PolarHBondContact O-N 3.44Å; A18-H22 PolarHBondContact O-CD2 3.03Å; A18-H22 PolarHBondContact O-N 2.9Å |
| 19 | E | 89.1 | Confident | 87.5 | Confident | 103 Ų | 103 | 107.1 Ų | 107.1 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 175.7 | -73.4 | 172.8 | -171.2 | 0 | 0 | 111 | R15 Q16 H22 S23 | R15-E19 WeakPolarHBondContact CG-OE1 3.45Å; R15-E19 IonicContact CZ-OE1 3.29Å; R15-E19 IonicContact NE-OE1 3.64Å; R15-E19 PolarHBondContact NE-OE1 2.74Å; R15-E19 IonicContact NH2-OE1 2.61Å; R15-E19 WeakPolarHBondContact O-CG 3.36Å; R15-E19 PolarHBondContact O-N 3.29Å; Q16-E19 PolarHBondContact O-N 3.28Å; E19-H22 PolarHBondContact O-N 3.16Å; E19-S23 PolarHBondContact O-N 3.35Å |
| 20 | D | 85.9 | Confident | 87.9 | Confident | 90 Ų | 90 | 105.5 Ų | 105.5 | 48% | 0.481 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 174.2 | -71.9 | -16.1 | 0 | 0 | 0 | 111.4 | Q16 A18 H22 S23 F24 | Q16-D20 WeakPolarHBondContact O-CB 3.31Å; Q16-D20 VanDerWaalsContact O-CG 3.3Å; Q16-D20 PolarHBondContact O-N 2.96Å; A18-D20 VanDerWaalsContact C-N 3.34Å; D20-H22 VanDerWaalsContact C-N 3.3Å; D20-H22 PolarHBondContact O-N 3.47Å; D20-S23 WeakPolarHBondContact O-CA 3.42Å; D20-S23 WeakPolarHBondContact O-CB 3.41Å; D20-S23 PolarHBondContact O-N 2.71Å; D20-S23 VanDerWaalsContact O-N 3.08Å; D20-F24 WeakPolarHBondContact O-CD2 3.35Å; D20-F24 PolarHBondContact O-N 3.42Å |
| 21 | L | 89.3 | Confident | 88.1 | Confident | 96 Ų | 96 | 108.5 Ų | 108.5 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59 | -41.9 | 176.3 | -176.1 | 65.9 | 0 | 0 | 0 | 111.8 | N17 A18 S23 F24 M25 | N17-L21 WeakPolarHBondContact O-CB 3.48Å; N17-L21 PolarHBondContact O-N 2.9Å; A18-L21 PolarHBondContact O-N 3.44Å; L21-S23 VanDerWaalsContact C-N 3.34Å; L21-F24 PolarHBondContact O-N 3.16Å; L21-M25 HydrophobicContact CD1-CE 4.04Å; L21-M25 HydrophobicContact CD2-CE 4.1Å; L21-M25 HydrophobicContact CG-CE 3.89Å; L21-M25 WeakPolarHBondContact O-CG 3.44Å; L21-M25 PolarHBondContact O-N 2.88Å |
| 22 | H | 87.6 | Confident | 88.6 | Confident | 117 Ų | 117 | 105.9 Ų | 105.9 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.4 | -34.8 | 175.2 | -78.3 | -56.5 | 0 | 0 | 0 | 112.8 | A18 E19 D20 R26 | A18-H22 PolarHBondContact O-CD2 3.03Å; A18-H22 PolarHBondContact O-N 2.9Å; E19-H22 PolarHBondContact O-N 3.16Å; D20-H22 VanDerWaalsContact C-N 3.3Å; D20-H22 PolarHBondContact O-N 3.47Å; H22-R26 WeakPolarHBondContact O-CB 3.45Å; H22-R26 PolarHBondContact O-N 3.02Å; H22-R26 VanDerWaalsContact O-N 3.12Å |
| 23 | S | 86.3 | Confident | 88.6 | Confident | 57 Ų | 57 | 104 Ų | 104 | 40% | 0.399 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 172.2 | -167.4 | 0 | 0 | 0 | 0 | 111 | E19 D20 L21 M25 R26 E27 | E19-S23 PolarHBondContact O-N 3.35Å; D20-S23 WeakPolarHBondContact O-CA 3.42Å; D20-S23 WeakPolarHBondContact O-CB 3.41Å; D20-S23 PolarHBondContact O-N 2.71Å; D20-S23 VanDerWaalsContact O-N 3.08Å; L21-S23 VanDerWaalsContact C-N 3.34Å; S23-M25 PolarHBondContact O-N 3.22Å; S23-R26 PolarHBondContact O-N 3.06Å; S23-R26 VanDerWaalsContact O-N 3.17Å; S23-E27 PolarHBondContact O-N 3.4Å |
| 24 | F | 89.8 | Confident | 88.8 | Confident | 131 Ų | 131 | 102.4 Ų | 102.4 | 58% | 0.575 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60 | -44 | 177.5 | -80.7 | -65.7 | 0 | 0 | 0 | 112.6 | D20 L21 R26 E27 L28 | D20-F24 WeakPolarHBondContact O-CD2 3.35Å; D20-F24 PolarHBondContact O-N 3.42Å; L21-F24 PolarHBondContact O-N 3.16Å; F24-R26 VanDerWaalsContact C-N 3.31Å; F24-R26 PolarHBondContact O-N 3.3Å; F24-E27 PolarHBondContact O-N 2.95Å; F24-L28 WeakPolarHBondContact O-CB 3.26Å; F24-L28 PolarHBondContact O-N 2.94Å |
| 25 | M | 91.3 | Very high | 88.8 | Confident | 96 Ų | 96 | 101 Ų | 101 | 47% | 0.473 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 176.5 | -72.4 | 179.3 | 179.3 | 0 | 0 | 111.6 | L21 S23 L28 D29 | L21-M25 HydrophobicContact CD1-CE 4.04Å; L21-M25 HydrophobicContact CD2-CE 4.1Å; L21-M25 HydrophobicContact CG-CE 3.89Å; L21-M25 WeakPolarHBondContact O-CG 3.44Å; L21-M25 PolarHBondContact O-N 2.88Å; S23-M25 PolarHBondContact O-N 3.22Å; M25-L28 WeakPolarHBondContact O-CB 3.23Å; M25-L28 PolarHBondContact O-N 3.36Å; M25-D29 PolarHBondContact O-N 2.91Å |
| 26 | R | 92.4 | Very high | 88.9 | Confident | 168 Ų | 168 | 98.7 Ų | 98.7 | 63% | 0.634 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.5 | -38.4 | 178.5 | -164.2 | -176.2 | -58 | 172.3 | 4.4 | 112.6 | H22 S23 F24 L28 D29 N30 | H22-R26 WeakPolarHBondContact O-CB 3.45Å; H22-R26 PolarHBondContact O-N 3.02Å; H22-R26 VanDerWaalsContact O-N 3.12Å; S23-R26 PolarHBondContact O-N 3.06Å; S23-R26 VanDerWaalsContact O-N 3.17Å; F24-R26 VanDerWaalsContact C-N 3.31Å; F24-R26 PolarHBondContact O-N 3.3Å; R26-L28 VanDerWaalsContact C-N 3.33Å; R26-D29 PolarHBondContact O-N 3.42Å; R26-N30 WeakPolarHBondContact O-CB 3.48Å; R26-N30 PolarHBondContact O-N 3.45Å; R26-N30 PolarHBondContact O-ND2 3.5Å |
| 27 | E | 88.1 | Confident | 89 | Confident | 116 Ų | 116 | 100.2 Ų | 100.2 | 54% | 0.542 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 173.7 | -74.7 | -178.9 | -171 | 0 | 0 | 111.8 | S23 F24 N30 W31 | S23-E27 PolarHBondContact O-N 3.4Å; F24-E27 PolarHBondContact O-N 2.95Å; E27-N30 PolarHBondContact O-N 2.8Å; E27-W31 VanDerWaalsContact O-CB 3.25Å; E27-W31 WeakPolarHBondContact O-CB 3.49Å; E27-W31 PolarHBondContact O-N 2.94Å |
| 28 | L | 90.6 | Very high | 88.7 | Confident | 109 Ų | 109 | 102 Ų | 102 | 57% | 0.571 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.1 | -47.9 | 173.4 | -99.7 | 159.4 | 0 | 0 | 0 | 112.2 | F24 M25 R26 N30 W31 E32 | F24-L28 WeakPolarHBondContact O-CB 3.26Å; F24-L28 PolarHBondContact O-N 2.94Å; M25-L28 WeakPolarHBondContact O-CB 3.23Å; M25-L28 PolarHBondContact O-N 3.36Å; R26-L28 VanDerWaalsContact C-N 3.33Å; L28-N30 VanDerWaalsContact C-N 3.33Å; L28-N30 PolarHBondContact O-N 3.36Å; L28-W31 PolarHBondContact O-N 3.33Å; L28-E32 WeakPolarHBondContact O-CB 3.49Å; L28-E32 PolarHBondContact O-N 2.94Å |
| 29 | D | 90.5 | Very high | 88.2 | Confident | 101 Ų | 101 | 103 Ų | 103 | 54% | 0.54 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 178 | -69.6 | -22.2 | 0 | 0 | 0 | 111.6 | M25 R26 E32 A33 | M25-D29 PolarHBondContact O-N 2.91Å; R26-D29 PolarHBondContact O-N 3.42Å; D29-E32 PolarHBondContact O-N 3.27Å; D29-A33 WeakPolarHBondContact O-CB 3.42Å; D29-A33 PolarHBondContact O-N 3.06Å |
| 30 | N | 90.5 | Very high | 87.8 | Confident | 96 Ų | 96 | 104.3 Ų | 104.3 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 175.7 | -74.3 | -22.2 | 0 | 0 | 0 | 111.5 | R26 E27 L28 A33 D34 | R26-N30 WeakPolarHBondContact O-CB 3.48Å; R26-N30 PolarHBondContact O-N 3.45Å; R26-N30 PolarHBondContact O-ND2 3.5Å; E27-N30 PolarHBondContact O-N 2.8Å; L28-N30 VanDerWaalsContact C-N 3.33Å; L28-N30 PolarHBondContact O-N 3.36Å; N30-A33 PolarHBondContact O-N 3.32Å; N30-D34 WeakPolarHBondContact O-CB 3.45Å; N30-D34 PolarHBondContact O-N 3.2Å |
| 31 | W | 86.8 | Confident | 87.5 | Confident | 163 Ų | 163 | 104.8 Ų | 104.8 | 62% | 0.617 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.3 | -40.9 | 177.2 | -178.5 | 85 | 0 | 0 | 0 | 111.9 | E27 L28 A33 D34 I35 | E27-W31 VanDerWaalsContact O-CB 3.25Å; E27-W31 WeakPolarHBondContact O-CB 3.49Å; E27-W31 PolarHBondContact O-N 2.94Å; L28-W31 PolarHBondContact O-N 3.33Å; W31-A33 VanDerWaalsContact C-N 3.35Å; W31-A33 PolarHBondContact O-N 3.14Å; W31-D34 PolarHBondContact O-N 3.31Å; W31-I35 HydrophobicContact CD2-CD1 3.66Å; W31-I35 HydrophobicContact CD2-CG1 4.38Å; W31-I35 HydrophobicContact CE3-CD1 3.76Å; W31-I35 HydrophobicContact CH2-CD1 3.26Å; W31-I35 HydrophobicContact CZ2-CD1 3.15Å; W31-I35 HydrophobicContact CZ2-CG1 4.41Å; W31-I35 HydrophobicContact CZ3-CD1 3.56Å; W31-I35 WeakPolarHBondContact O-CG1 3.46Å; W31-I35 PolarHBondContact O-N 3.34Å |
| 32 | E | 93.8 | Very high | 86.6 | Confident | 88 Ų | 88 | 105.8 Ų | 105.8 | 41% | 0.411 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 174.6 | -169.9 | -172.5 | 164.5 | 0 | 0 | 111.2 | L28 D29 I35 K36 | L28-E32 WeakPolarHBondContact O-CB 3.49Å; L28-E32 PolarHBondContact O-N 2.94Å; D29-E32 PolarHBondContact O-N 3.27Å; E32-I35 PolarHBondContact O-N 3.46Å; E32-K36 HydrophobicContact CG-CD 4.31Å; E32-K36 WeakPolarHBondContact O-CB 3.45Å; E32-K36 WeakPolarHBondContact O-CG 3.32Å; E32-K36 PolarHBondContact O-N 2.91Å; E32-K36 VanDerWaalsContact OE1-CE 3.26Å; E32-K36 WeakPolarHBondContact OE1-CE 3.44Å; E32-K36 IonicContact OE1-NZ 2.6Å; E32-K36 PolarHBondContact OE1-NZ 3.26Å |
| 33 | A | 90.9 | Very high | 86.1 | Confident | 55 Ų | 55 | 109.4 Ų | 109.4 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D29 N30 W31 K36 R37 | D29-A33 WeakPolarHBondContact O-CB 3.42Å; D29-A33 PolarHBondContact O-N 3.06Å; N30-A33 PolarHBondContact O-N 3.32Å; W31-A33 VanDerWaalsContact C-N 3.35Å; W31-A33 PolarHBondContact O-N 3.14Å; A33-K36 PolarHBondContact O-N 3.15Å; A33-R37 VanDerWaalsContact O-CB 3.26Å; A33-R37 WeakPolarHBondContact O-CB 3.37Å; A33-R37 PolarHBondContact O-N 3.48Å |
| 34 | D | 88.8 | Confident | 85.5 | Confident | 67 Ų | 67 | 112.2 Ų | 112.2 | 36% | 0.358 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 176.5 | -88.7 | 24.6 | 0 | 0 | 0 | 112.6 | N30 W31 R37 K38 | N30-D34 WeakPolarHBondContact O-CB 3.45Å; N30-D34 PolarHBondContact O-N 3.2Å; W31-D34 PolarHBondContact O-N 3.31Å; D34-R37 IonicContact OD1-CZ 3.45Å; D34-R37 IonicContact OD1-NE 3.6Å; D34-R37 IonicContact OD1-NH2 2.71Å; D34-R37 PolarHBondContact OD1-NH2 3Å; D34-R37 IonicContact OD2-NH2 3.17Å; D34-R37 PolarHBondContact OD2-NH2 3.23Å; D34-K38 WeakPolarHBondContact O-CB 3.36Å; D34-K38 WeakPolarHBondContact O-CG 3.25Å; D34-K38 PolarHBondContact O-N 3.06Å |
| 35 | I | 88.6 | Confident | 84 | Confident | 75 Ų | 75 | 108.6 Ų | 108.6 | 39% | 0.385 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.7 | -47.9 | 175.8 | -75.2 | -177.8 | 0 | 0 | 0 | 110.8 | W31 E32 R37 K38 D39 | W31-I35 HydrophobicContact CD2-CD1 3.66Å; W31-I35 HydrophobicContact CD2-CG1 4.38Å; W31-I35 HydrophobicContact CE3-CD1 3.76Å; W31-I35 HydrophobicContact CH2-CD1 3.26Å; W31-I35 HydrophobicContact CZ2-CD1 3.15Å; W31-I35 HydrophobicContact CZ2-CG1 4.41Å; W31-I35 HydrophobicContact CZ3-CD1 3.56Å; W31-I35 WeakPolarHBondContact O-CG1 3.46Å; W31-I35 PolarHBondContact O-N 3.34Å; E32-I35 PolarHBondContact O-N 3.46Å; I35-R37 PolarHBondContact O-N 2.96Å; I35-K38 PolarHBondContact O-N 3.03Å; I35-D39 WeakPolarHBondContact O-CB 3.43Å; I35-D39 PolarHBondContact O-N 3.45Å |
| 36 | K | 89.1 | Confident | 82.1 | Confident | 115 Ų | 115 | 112.1 Ų | 112.1 | 50% | 0.5 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.2 | -39.5 | 177.8 | -77.2 | 173.1 | 170.9 | 169.7 | 0 | 111.6 | E32 A33 Q40 | E32-K36 HydrophobicContact CG-CD 4.31Å; E32-K36 WeakPolarHBondContact O-CB 3.45Å; E32-K36 WeakPolarHBondContact O-CG 3.32Å; E32-K36 PolarHBondContact O-N 2.91Å; E32-K36 VanDerWaalsContact OE1-CE 3.26Å; E32-K36 WeakPolarHBondContact OE1-CE 3.44Å; E32-K36 IonicContact OE1-NZ 2.6Å; E32-K36 PolarHBondContact OE1-NZ 3.26Å; A33-K36 PolarHBondContact O-N 3.15Å; K36-Q40 WeakPolarHBondContact O-CB 3.38Å; K36-Q40 WeakPolarHBondContact O-CG 3.33Å; K36-Q40 PolarHBondContact O-N 3.29Å |
| 37 | R | 85.6 | Confident | 80.1 | Confident | 124 Ų | 124 | 107.9 Ų | 107.9 | 47% | 0.468 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.7 | -49.3 | 174.3 | 174.9 | 168.7 | 50.6 | 127.1 | -6.5 | 112 | A33 D34 I35 D39 Q40 E41 | A33-R37 VanDerWaalsContact O-CB 3.26Å; A33-R37 WeakPolarHBondContact O-CB 3.37Å; A33-R37 PolarHBondContact O-N 3.48Å; D34-R37 IonicContact OD1-CZ 3.45Å; D34-R37 IonicContact OD1-NE 3.6Å; D34-R37 IonicContact OD1-NH2 2.71Å; D34-R37 PolarHBondContact OD1-NH2 3Å; D34-R37 IonicContact OD2-NH2 3.17Å; D34-R37 PolarHBondContact OD2-NH2 3.23Å; I35-R37 PolarHBondContact O-N 2.96Å; R37-D39 VanDerWaalsContact C-N 3.34Å; R37-D39 PolarHBondContact O-N 2.83Å; R37-Q40 PolarHBondContact O-N 2.87Å; R37-E41 WeakPolarHBondContact CG-OE1 3.35Å; R37-E41 WeakPolarHBondContact O-CB 3.45Å; R37-E41 VanDerWaalsContact O-CG 3.31Å; R37-E41 WeakPolarHBondContact O-CG 3.38Å; R37-E41 PolarHBondContact O-N 3.44Å |
| 38 | K | 78 | Confident | 78.3 | Confident | 131 Ų | 131 | 110.2 Ų | 110.2 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.2 | -38.7 | 176.9 | -78.3 | 179.2 | 180 | 162.3 | 0 | 112.4 | D34 I35 E41 L42 | D34-K38 WeakPolarHBondContact O-CB 3.36Å; D34-K38 WeakPolarHBondContact O-CG 3.25Å; D34-K38 PolarHBondContact O-N 3.06Å; I35-K38 PolarHBondContact O-N 3.03Å; K38-E41 PolarHBondContact O-N 2.95Å; K38-L42 WeakPolarHBondContact O-CB 3.5Å; K38-L42 VanDerWaalsContact O-CG 3.23Å; K38-L42 WeakPolarHBondContact O-CG 3.44Å; K38-L42 PolarHBondContact O-N 3.31Å |
| 39 | D | 80 | Confident | 76.4 | Confident | 64 Ų | 64 | 110.3 Ų | 110.3 | 34% | 0.342 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 175.8 | -172.5 | 49.4 | 0 | 0 | 0 | 111.1 | I35 R37 L42 R43 | I35-D39 WeakPolarHBondContact O-CB 3.43Å; I35-D39 PolarHBondContact O-N 3.45Å; R37-D39 VanDerWaalsContact C-N 3.34Å; R37-D39 PolarHBondContact O-N 2.83Å; D39-L42 PolarHBondContact O-N 3.39Å; D39-R43 WeakPolarHBondContact O-CB 3.45Å; D39-R43 VanDerWaalsContact O-CG 3.26Å; D39-R43 WeakPolarHBondContact O-CG 3.04Å; D39-R43 PolarHBondContact O-N 3.22Å; D39-R43 IonicContact OD1-NE 2.96Å; D39-R43 IonicContact OD1-NH2 3.97Å; D39-R43 IonicContact OD2-CZ 3.07Å; D39-R43 IonicContact OD2-NE 3.72Å; D39-R43 PolarHBondContact OD2-NE 3.45Å; D39-R43 IonicContact OD2-NH2 2.74Å; D39-R43 PolarHBondContact OD2-NH2 3.26Å |
| 40 | Q | 81.1 | Confident | 74.4 | Confident | 132 Ų | 132 | 110.9 Ų | 110.9 | 62% | 0.617 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.3 | -41.6 | 171.5 | -77.3 | 179.1 | 3.7 | 0 | 0 | 112.7 | K36 R37 L42 R43 T44 | K36-Q40 WeakPolarHBondContact O-CB 3.38Å; K36-Q40 WeakPolarHBondContact O-CG 3.33Å; K36-Q40 PolarHBondContact O-N 3.29Å; R37-Q40 PolarHBondContact O-N 2.87Å; Q40-L42 VanDerWaalsContact C-N 3.31Å; Q40-L42 PolarHBondContact O-N 2.93Å; Q40-R43 PolarHBondContact O-N 3.48Å; Q40-T44 WeakPolarHBondContact O-CB 3.41Å; Q40-T44 VanDerWaalsContact O-CG2 3.27Å; Q40-T44 WeakPolarHBondContact O-CG2 3.45Å; Q40-T44 PolarHBondContact O-N 3.29Å; Q40-T44 PolarHBondContact O-OG1 2.61Å |
| 41 | E | 78.6 | Confident | 72.5 | Confident | 100 Ų | 100 | 113.2 Ų | 113.2 | 47% | 0.467 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.2 | -37.4 | 175.5 | -75.1 | 172.7 | -173.9 | 0 | 0 | 112.2 | R37 K38 T44 | R37-E41 WeakPolarHBondContact CG-OE1 3.35Å; R37-E41 WeakPolarHBondContact O-CB 3.45Å; R37-E41 VanDerWaalsContact O-CG 3.31Å; R37-E41 WeakPolarHBondContact O-CG 3.38Å; R37-E41 PolarHBondContact O-N 3.44Å; K38-E41 PolarHBondContact O-N 2.95Å; E41-T44 WeakPolarHBondContact CA-OG1 3.38Å; E41-T44 PolarHBondContact O-OG1 3.17Å |
| 42 | L | 70.3 | Confident | 71.1 | Confident | 117 Ų | 117 | 114.4 Ų | 114.4 | 61% | 0.613 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -71.3 | -40.3 | 175.1 | -70.6 | 169.6 | 0 | 0 | 0 | 111.7 | K38 D39 Q40 G45 | K38-L42 WeakPolarHBondContact O-CB 3.5Å; K38-L42 VanDerWaalsContact O-CG 3.23Å; K38-L42 WeakPolarHBondContact O-CG 3.44Å; K38-L42 PolarHBondContact O-N 3.31Å; D39-L42 PolarHBondContact O-N 3.39Å; Q40-L42 VanDerWaalsContact C-N 3.31Å; Q40-L42 PolarHBondContact O-N 2.93Å; L42-G45 PolarHBondContact O-N 3.5Å |
| 43 | R | 76.2 | Confident | 69 | Low | 193 Ų | 193 | 115.2 Ų | 115.2 | 73% | 0.728 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.9 | -32.2 | 176.5 | -72.7 | 176.4 | -168.3 | -160.3 | 6.1 | 113.4 | D39 Q40 G45 | D39-R43 WeakPolarHBondContact O-CB 3.45Å; D39-R43 VanDerWaalsContact O-CG 3.26Å; D39-R43 WeakPolarHBondContact O-CG 3.04Å; D39-R43 PolarHBondContact O-N 3.22Å; D39-R43 IonicContact OD1-NE 2.96Å; D39-R43 IonicContact OD1-NH2 3.97Å; D39-R43 IonicContact OD2-CZ 3.07Å; D39-R43 IonicContact OD2-NE 3.72Å; D39-R43 PolarHBondContact OD2-NE 3.45Å; D39-R43 IonicContact OD2-NH2 2.74Å; D39-R43 PolarHBondContact OD2-NH2 3.26Å; Q40-R43 PolarHBondContact O-N 3.48Å; R43-G45 PolarHBondContact O-N 2.87Å |
| 44 | T | 74.1 | Confident | 67 | Low | 115 Ų | 115 | 118.7 Ų | 118.7 | 71% | 0.706 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 0.4 | 179.7 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | Q40 E41 | Q40-T44 WeakPolarHBondContact O-CB 3.41Å; Q40-T44 VanDerWaalsContact O-CG2 3.27Å; Q40-T44 WeakPolarHBondContact O-CG2 3.45Å; Q40-T44 PolarHBondContact O-N 3.29Å; Q40-T44 PolarHBondContact O-OG1 2.61Å; E41-T44 WeakPolarHBondContact CA-OG1 3.38Å; E41-T44 PolarHBondContact O-OG1 3.17Å |
| 45 | G | 58.5 | Low | 64.8 | Low | 56 Ų | 56 | 120.5 Ų | 120.5 | 58% | 0.577 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.5 | 23.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | L42 R43 V47 | L42-G45 PolarHBondContact O-N 3.5Å; R43-G45 PolarHBondContact O-N 2.87Å; G45-V47 PolarHBondContact O-N 3.3Å |
| 46 | R | 51 | Low | 63.2 | Low | 169 Ų | 169 | 122.7 Ų | 122.7 | 64% | 0.638 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 30.4 | 176 | -145.8 | 178.3 | -169.4 | -176.5 | 4.3 | 114.2 | Q48 E49 | R46-Q48 VanDerWaalsContact C-N 3.28Å; R46-Q48 PolarHBondContact O-N 3.04Å; R46-E49 HydrophobicContact CG-CB 4.5Å; R46-E49 IonicContact CZ-OE2 2.75Å; R46-E49 IonicContact NE-OE2 3.85Å; R46-E49 PolarHBondContact NE-OE2 3.31Å; R46-E49 IonicContact NH2-OE2 3.51Å; R46-E49 PolarHBondContact NH2-OE2 3.11Å |
| 47 | V | 50.8 | Low | 61.3 | Low | 80 Ų | 80 | 123.1 Ų | 123.1 | 49% | 0.485 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.9 | -24.2 | -174.1 | 178.3 | 0 | 0 | 0 | 0 | 112.4 | G45 | G45-V47 PolarHBondContact O-N 3.3Å |
| 48 | Q | 51.3 | Low | 59.4 | Low | 164 Ų | 164 | 128.9 Ų | 128.9 | 77% | 0.766 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -82.5 | -25.2 | -176.4 | -81.8 | 177.1 | 0.8 | 0 | 0 | 115.2 | R46 | R46-Q48 VanDerWaalsContact C-N 3.28Å; R46-Q48 PolarHBondContact O-N 3.04Å |
| 49 | E | 49.9 | Very low | 58.2 | Low | 112 Ų | 112 | 126.9 Ų | 126.9 | 52% | 0.523 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -81.2 | -33.4 | -178.9 | -77.7 | -175.3 | 145.2 | 0 | 0 | 112.4 | R46 K52 | R46-E49 HydrophobicContact CG-CB 4.5Å; R46-E49 IonicContact CZ-OE2 2.75Å; R46-E49 IonicContact NE-OE2 3.85Å; R46-E49 PolarHBondContact NE-OE2 3.31Å; R46-E49 IonicContact NH2-OE2 3.51Å; R46-E49 PolarHBondContact NH2-OE2 3.11Å; E49-K52 PolarHBondContact O-N 3.11Å |
| 50 | L | 47.9 | Very low | 57.1 | Low | 113 Ų | 113 | 132.1 Ų | 132.1 | 59% | 0.592 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -72.8 | -27.8 | 179.5 | -78.9 | 163.3 | 0 | 0 | 0 | 113.7 | K52 T53 | L50-K52 PolarHBondContact O-N 2.96Å; L50-T53 PolarHBondContact O-N 3.15Å; L50-T53 PolarHBondContact O-OG1 3.09Å; L50-T53 VanDerWaalsContact O-OG1 3.11Å |
| 51 | Q | 51.8 | Low | 55.6 | Low | 144 Ų | 144 | 128 Ų | 128 | 67% | 0.673 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -19 | 175 | -78.6 | -175.9 | -12.3 | 0 | 0 | 113.3 | ||
| 52 | K | 56.4 | Low | 54.5 | Low | 189 Ų | 189 | 129.8 Ų | 129.8 | 82% | 0.822 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -18.1 | 177.1 | -73 | -177.4 | 177.6 | 175.3 | 0 | 113.6 | E49 L50 | E49-K52 PolarHBondContact O-N 3.11Å; L50-K52 PolarHBondContact O-N 2.96Å |
| 53 | T | 50.2 | Low | 53.6 | Low | 104 Ų | 104 | 133.4 Ų | 133.4 | 64% | 0.638 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -101.6 | -0.3 | -175.2 | 52.7 | 0 | 0 | 0 | 0 | 114.1 | L50 | L50-T53 PolarHBondContact O-N 3.15Å; L50-T53 PolarHBondContact O-OG1 3.09Å; L50-T53 VanDerWaalsContact O-OG1 3.11Å |
| 54 | L | 48.1 | Very low | 52.5 | Low | 128 Ų | 128 | 127.3 Ų | 127.3 | 67% | 0.67 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -80.7 | 132.4 | 173.6 | -69.2 | 169.9 | 0 | 0 | 0 | 110.1 | ||
| 55 | P | 42.8 | Very low | 51.7 | Low | 106 Ų | 106 | 129.1 Ų | 129.1 | 69% | 0.688 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -59 | 148.1 | 174.5 | 23 | -30.6 | 0 | 0 | 0 | 110.3 | V57 | P55-V57 PolarHBondContact O-N 3.43Š|
| 56 | P | 55.1 | Low | 51.4 | Low | 120 Ų | 120 | 131 Ų | 131 | 78% | 0.779 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 128 | -174.9 | -18.9 | 29.5 | 0 | 0 | 0 | 110.7 | R58 | P56-R58 PolarHBondContact O-N 2.91Š|
| 57 | V | 50.1 | Low | 51.5 | Low | 124 Ų | 124 | 132 Ų | 132 | 75% | 0.752 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -53 | 118.2 | 175.9 | -179.1 | 0 | 0 | 0 | 0 | 109 | P55 N59 K60 | P55-V57 PolarHBondContact O-N 3.43Å; V57-N59 PolarHBondContact O-N 3.12Å; V57-K60 PolarHBondContact O-N 3.08Å |
| 58 | R | 46.1 | Very low | 51.5 | Low | 245 Ų | 245 | 133.6 Ų | 133.6 | 93% | 0.925 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 64.5 | -178.2 | -173.1 | -177.1 | 176.2 | 149.1 | -2.9 | 111.1 | P56 | P56-R58 PolarHBondContact O-N 2.91Š|
| 59 | N | 51.2 | Low | 51.4 | Low | 89 Ų | 89 | 132.4 Ų | 132.4 | 48% | 0.476 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -171.4 | 6.8 | 163.3 | -117.7 | -12.6 | 0 | 0 | 0 | 114.9 | V57 G61 Y62 R63 | V57-N59 PolarHBondContact O-N 3.12Å; N59-G61 VanDerWaalsContact C-N 3.31Å; N59-G61 PolarHBondContact O-N 3.36Å; N59-Y62 PolarHBondContact O-N 2.96Å; N59-Y62 WeakPolarHBondContact OD1-CB 3.49Å; N59-R63 WeakPolarHBondContact O-CG 3.38Å; N59-R63 PolarHBondContact O-N 3.35Å |
| 60 | K | 57.6 | Low | 51.6 | Low | 175 Ų | 175 | 136.7 Ų | 136.7 | 76% | 0.761 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -59.6 | -40.7 | -178.9 | -125.8 | 178.1 | -177.1 | 178.9 | 0 | 112.7 | V57 S64 | V57-K60 PolarHBondContact O-N 3.08Å; K60-S64 PolarHBondContact O-N 3.36Å; K60-S64 VanDerWaalsContact O-N 3.12Å; K60-S64 PolarHBondContact O-OG 3.31Å |
| 61 | G | 49.9 | Very low | 51.7 | Low | 45 Ų | 45 | 141.2 Ų | 141.2 | 46% | 0.464 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -72.8 | -26.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | N59 S64 K65 | N59-G61 VanDerWaalsContact C-N 3.31Å; N59-G61 PolarHBondContact O-N 3.36Å; G61-S64 WeakPolarHBondContact CA-OG 3.44Å; G61-S64 PolarHBondContact O-OG 3.17Å; G61-K65 VanDerWaalsContact O-CG 3.28Å; G61-K65 WeakPolarHBondContact O-CG 3.4Å; G61-K65 PolarHBondContact O-N 3.44Å |
| 62 | Y | 54.8 | Low | 51.5 | Low | 138 Ų | 138 | 142.4 Ų | 142.4 | 54% | 0.541 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -73.6 | -45.7 | 173.9 | -179.1 | -96.6 | 0 | 0 | 0 | 110.5 | N59 S64 K65 M66 | N59-Y62 PolarHBondContact O-N 2.96Å; N59-Y62 WeakPolarHBondContact OD1-CB 3.49Å; Y62-S64 VanDerWaalsContact C-N 3.32Å; Y62-S64 PolarHBondContact O-N 2.92Å; Y62-K65 PolarHBondContact O-N 2.8Å; Y62-M66 HydrophobicContact CE1-CG 4.14Å; Y62-M66 WeakPolarHBondContact O-CB 3.35Å; Y62-M66 PolarHBondContact O-N 3.35Å |
| 63 | R | 52.3 | Low | 50.6 | Low | 193 Ų | 193 | 140.3 Ų | 140.3 | 73% | 0.728 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -62.7 | -36.1 | 177.4 | -66.8 | -178.4 | 82.1 | 146.4 | 4.8 | 112.6 | N59 R67 | N59-R63 WeakPolarHBondContact O-CG 3.38Å; N59-R63 PolarHBondContact O-N 3.35Å; R63-R67 WeakPolarHBondContact O-CB 3.4Å; R63-R67 PolarHBondContact O-N 3.38Å; R63-R67 VanDerWaalsContact O-N 3.09Å |
| 64 | S | 52.2 | Low | 49.9 | Very low | 64 Ų | 64 | 139.1 Ų | 139.1 | 45% | 0.448 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -67.4 | -42.5 | 174.7 | 61.8 | 0 | 0 | 0 | 0 | 112.1 | K60 G61 Y62 R67 E68 | K60-S64 PolarHBondContact O-N 3.36Å; K60-S64 VanDerWaalsContact O-N 3.12Å; K60-S64 PolarHBondContact O-OG 3.31Å; G61-S64 WeakPolarHBondContact CA-OG 3.44Å; G61-S64 PolarHBondContact O-OG 3.17Å; Y62-S64 VanDerWaalsContact C-N 3.32Å; Y62-S64 PolarHBondContact O-N 2.92Å; S64-R67 PolarHBondContact O-N 3.47Å; S64-E68 WeakPolarHBondContact O-CB 3.11Å; S64-E68 PolarHBondContact O-N 3.43Å |
| 65 | K | 57.4 | Low | 49.2 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 67% | 0.665 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -66.2 | -40 | 176.8 | -74.5 | 177.3 | -179.7 | -176.8 | 0 | 112.5 | G61 Y62 E68 K69 | G61-K65 VanDerWaalsContact O-CG 3.28Å; G61-K65 WeakPolarHBondContact O-CG 3.4Å; G61-K65 PolarHBondContact O-N 3.44Å; Y62-K65 PolarHBondContact O-N 2.8Å; K65-E68 PolarHBondContact O-N 3.12Å; K65-K69 WeakPolarHBondContact O-CB 3.34Å; K65-K69 PolarHBondContact O-N 3.33Å |
| 66 | M | 51.8 | Low | 49.1 | Very low | 95 Ų | 95 | 139 Ų | 139 | 47% | 0.468 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -62.3 | -42.6 | 175 | -112.3 | -84.6 | -151.7 | 0 | 0 | 111.8 | Y62 E68 K69 R70 | Y62-M66 HydrophobicContact CE1-CG 4.14Å; Y62-M66 WeakPolarHBondContact O-CB 3.35Å; Y62-M66 PolarHBondContact O-N 3.35Å; M66-E68 VanDerWaalsContact C-N 3.33Å; M66-E68 PolarHBondContact O-N 2.73Å; M66-K69 PolarHBondContact O-N 3.01Å; M66-R70 PolarHBondContact O-N 2.98Å |
| 67 | R | 53.4 | Low | 47.9 | Very low | 190 Ų | 190 | 137.8 Ų | 137.8 | 72% | 0.717 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.1 | -35.7 | 177.2 | -171.7 | 173.6 | 170.9 | -133.2 | 0.5 | 112.4 | R63 S64 R71 | R63-R67 WeakPolarHBondContact O-CB 3.4Å; R63-R67 PolarHBondContact O-N 3.38Å; R63-R67 VanDerWaalsContact O-N 3.09Å; S64-R67 PolarHBondContact O-N 3.47Å; R67-R71 PolarHBondContact O-N 3.26Å |
| 68 | E | 51.4 | Low | 47 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 53% | 0.533 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -74.6 | -34.5 | 176.6 | -160.7 | 167.1 | -168.4 | 0 | 0 | 112.4 | S64 K65 M66 R71 K72 | S64-E68 WeakPolarHBondContact O-CB 3.11Å; S64-E68 PolarHBondContact O-N 3.43Å; K65-E68 PolarHBondContact O-N 3.12Å; M66-E68 VanDerWaalsContact C-N 3.33Å; M66-E68 PolarHBondContact O-N 2.73Å; E68-R71 PolarHBondContact O-N 3.25Å; E68-K72 PolarHBondContact O-N 3.05Å |
| 69 | K | 49.4 | Very low | 46.2 | Very low | 140 Ų | 140 | 132 Ų | 132 | 61% | 0.609 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -68.2 | -41.8 | 173.9 | -157.4 | 178.2 | -175.4 | -173.4 | 0 | 111.8 | K65 M66 R71 K72 Q73 | K65-K69 WeakPolarHBondContact O-CB 3.34Å; K65-K69 PolarHBondContact O-N 3.33Å; M66-K69 PolarHBondContact O-N 3.01Å; K69-R71 VanDerWaalsContact C-N 3.3Å; K69-R71 PolarHBondContact O-N 3.3Å; K69-K72 PolarHBondContact O-N 3.23Å; K69-Q73 PolarHBondContact O-N 3.36Å |
| 70 | R | 53.2 | Low | 45.4 | Very low | 201 Ų | 201 | 135 Ų | 135 | 76% | 0.758 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -60.8 | -36.3 | 171 | -86.3 | -176.7 | 158.5 | -160.8 | -2.9 | 112.6 | M66 K72 Q73 | M66-R70 PolarHBondContact O-N 2.98Å; R70-K72 VanDerWaalsContact C-N 3.29Å; R70-K72 PolarHBondContact O-N 3.31Å; R70-Q73 PolarHBondContact O-N 2.84Å |
| 71 | R | 50.2 | Low | 44.1 | Very low | 208 Ų | 208 | 133.1 Ų | 133.1 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -70 | -22 | 177.2 | -125.2 | 177.2 | -179.6 | -171.6 | -2.6 | 114 | R67 E68 K69 | R67-R71 PolarHBondContact O-N 3.26Å; E68-R71 PolarHBondContact O-N 3.25Å; K69-R71 VanDerWaalsContact C-N 3.3Å; K69-R71 PolarHBondContact O-N 3.3Å |
| 72 | K | 48.2 | Very low | 43.6 | Very low | 169 Ų | 169 | 139 Ų | 139 | 74% | 0.735 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -5.2 | 179.6 | -73.6 | 179.1 | 178.3 | 177 | 0 | 113.9 | E68 K69 R70 | E68-K72 PolarHBondContact O-N 3.05Å; K69-K72 PolarHBondContact O-N 3.23Å; R70-K72 VanDerWaalsContact C-N 3.29Å; R70-K72 PolarHBondContact O-N 3.31Å |
| 73 | Q | 38.1 | Very low | 42.4 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -108.2 | 4.3 | -176.9 | -77.5 | -178.2 | -10.9 | 0 | 0 | 114.7 | K69 R70 | K69-Q73 PolarHBondContact O-N 3.36Å; R70-Q73 PolarHBondContact O-N 2.84Å |
| 74 | A | 33.9 | Very low | 41.5 | Very low | 79 Ų | 79 | 136.7 Ų | 136.7 | 65% | 0.653 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 127.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 75 | P | 34.9 | Very low | 40.6 | Very low | 121 Ų | 121 | 142 Ų | 142 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 142.6 | 174.2 | 30.6 | -30.6 | 0 | 0 | 0 | 110.4 | A77 | P75-A77 PolarHBondContact O-N 3Š|
| 76 | A | 39.9 | Very low | 39.5 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 91% | 0.909 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 120.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 77 | A | 29.9 | Very low | 38.7 | Very low | 96 Ų | 96 | 146.9 Ų | 146.9 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | trans | -136.6 | 117.6 | 167 | 0 | 0 | 0 | 0 | 0 | 108.9 | P75 | P75-A77 PolarHBondContact O-N 3Š| ||
| 78 | D | 32.3 | Very low | 38.2 | Very low | 175 Ų | 175 | 143.9 Ų | 143.9 | 94% | 0.936 | 78% | 0.781 | S | S | * | * | trans | -63.3 | 143.5 | 166.5 | -73.3 | -54.6 | 0 | 0 | 0 | 110.6 | ||||
| 79 | G | 29.1 | Very low | 38.1 | Very low | 71 Ų | 71 | 143.1 Ų | 143.1 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | 151.3 | 102.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 80 | D | 34.3 | Very low | 38.5 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -42.7 | 126.4 | 171.1 | -152 | -3.4 | 0 | 0 | 0 | 114.2 | ||||
| 81 | T | 30.3 | Very low | 39.2 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -172.8 | 121.2 | 145.2 | 22.1 | 0 | 0 | 0 | 0 | 109.7 | A83 | T81-A83 PolarHBondContact O-N 3.5Å; T81-A83 VanDerWaalsContact O-N 3.15Å | ||
| 82 | N | 39.1 | Very low | 40.3 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | -59.1 | 109.7 | 174.6 | -80.9 | -59.5 | 0 | 0 | 0 | 112.1 | ||||
| 83 | A | 30.1 | Very low | 41.6 | Very low | 88 Ų | 88 | 136.1 Ų | 136.1 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -146 | 108 | 152.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | T81 E85 | T81-A83 PolarHBondContact O-N 3.5Å; T81-A83 VanDerWaalsContact O-N 3.15Å; A83-E85 PolarHBondContact O-N 3.42Å; A83-E85 VanDerWaalsContact O-N 3.11Å | ||
| 84 | E | 32.6 | Very low | 43.1 | Very low | 196 Ų | 196 | 133.7 Ų | 133.7 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | trans | -60.8 | 111.2 | 174.8 | -82.5 | -174.2 | 131 | 0 | 0 | 110 | ||||
| 85 | E | 32.3 | Very low | 44.8 | Very low | 175 Ų | 175 | 135 Ų | 135 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 135.6 | 163.2 | -71.3 | -173.3 | 156.3 | 0 | 0 | 110 | A83 R87 | A83-E85 PolarHBondContact O-N 3.42Å; A83-E85 VanDerWaalsContact O-N 3.11Å; E85-R87 PolarHBondContact O-N 3.2Å |
| 86 | P | 34.8 | Very low | 46.9 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 120.4 | 177.7 | 29.3 | -30.7 | 0 | 0 | 0 | 109.3 | ||
| 87 | R | 35 | Very low | 48.5 | Very low | 226 Ų | 226 | 136.6 Ų | 136.6 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 141.9 | 171.5 | -61.2 | 178.9 | -160.4 | 175.3 | 6.8 | 109.2 | E85 A89 | E85-R87 PolarHBondContact O-N 3.2Å; R87-A89 PolarHBondContact O-N 2.96Å; R87-A89 VanDerWaalsContact O-N 3.15Å |
| 88 | P | 42.6 | Very low | 50.8 | Low | 127 Ų | 127 | 142 Ų | 142 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 125.5 | 176.7 | 24.1 | -32.4 | 0 | 0 | 0 | 108.9 | S90 | P88-S90 PolarHBondContact O-N 3.08Š|
| 89 | A | 49.1 | Very low | 52.9 | Low | 99 Ų | 99 | 134.9 Ų | 134.9 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 129.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | R87 R91 | R87-A89 PolarHBondContact O-N 2.96Å; R87-A89 VanDerWaalsContact O-N 3.15Å; A89-R91 PolarHBondContact O-N 3.22Å |
| 90 | S | 59.5 | Low | 55.2 | Low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 138.1 | 172.6 | 47.4 | 0 | 0 | 0 | 0 | 109.1 | P88 L92 | P88-S90 PolarHBondContact O-N 3.08Å; S90-L92 PolarHBondContact O-N 3.05Å |
| 91 | R | 66.7 | Low | 57.3 | Low | 239 Ų | 239 | 136.9 Ų | 136.9 | 90% | 0.902 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 116.5 | 177.5 | -174.6 | 178.5 | -178.3 | 117.4 | -0.5 | 109.6 | A89 K93 | A89-R91 PolarHBondContact O-N 3.22Å; R91-K93 PolarHBondContact O-N 3Å |
| 92 | L | 73.1 | Confident | 59.6 | Low | 59 Ų | 59 | 139.2 Ų | 139.2 | 31% | 0.309 | 71% | 0.709 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 128.5 | 178.8 | -67.9 | 174.7 | 0 | 0 | 0 | 109.1 | S90 W100 F103 | S90-L92 PolarHBondContact O-N 3.05Å; L92-W100 HydrophobicContact CB-CZ2 4.24Å; L92-F103 HydrophobicContact CD1-CB 3.96Å; L92-F103 HydrophobicContact CD1-CD2 3.58Å; L92-F103 HydrophobicContact CD1-CE2 4.3Å; L92-F103 HydrophobicContact CD1-CG 3.88Å |
| 93 | K | 75.9 | Confident | 61.6 | Low | 168 Ų | 168 | 135.4 Ų | 135.4 | 73% | 0.73 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -70 | 138.8 | 178 | -80.8 | 175.4 | 178.3 | 173.1 | 0 | 108.7 | R91 C95 D96 W100 | R91-K93 PolarHBondContact O-N 3Å; K93-C95 PolarHBondContact O-N 3.36Å; K93-D96 PolarHBondContact O-N 2.98Å; K93-W100 PolarHBondContact O-NE1 3.5Å |
| 94 | S | 68.9 | Low | 63.9 | Low | 95 Ų | 95 | 135.5 Ų | 135.5 | 66% | 0.664 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -18.3 | -177.1 | 54.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 95 | C | 70.1 | Confident | 66.2 | Low | 105 Ų | 105 | 129.9 Ų | 129.9 | 71% | 0.709 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -6.6 | -174 | -38.4 | 0 | 0 | 0 | 0 | 114 | K93 Y97 | K93-C95 PolarHBondContact O-N 3.36Å; C95-Y97 PolarHBondContact O-N 3.23Å |
| 96 | D | 78.8 | Confident | 68.3 | Low | 83 Ų | 83 | 127.6 Ų | 127.6 | 44% | 0.444 | 65% | 0.645 | S | S | . | * | trans | -101.4 | 74.4 | -173.3 | -174.9 | 17.1 | 0 | 0 | 0 | 111.8 | K93 R98 S99 W100 | K93-D96 PolarHBondContact O-N 2.98Å; D96-R98 PolarHBondContact O-N 2.89Å; D96-R98 VanDerWaalsContact O-N 3.07Å; D96-S99 WeakPolarHBondContact CB-OG 3.42Å; D96-S99 PolarHBondContact O-N 2.6Å; D96-S99 PolarHBondContact O-OG 3.03Å; D96-S99 WeakPolarHBondContact OD2-CB 3.4Å; D96-S99 PolarHBondContact OD2-OG 3.37Å; D96-W100 VanDerWaalsContact O-CD1 3.27Å; D96-W100 PolarHBondContact O-N 3.27Å | ||
| 97 | Y | 74.5 | Confident | 70.6 | Confident | 182 Ų | 182 | 127.8 Ų | 127.8 | 71% | 0.714 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -55.5 | -28.5 | -175.6 | -72.4 | -85 | 0 | 0 | 0 | 114.2 | C95 S99 W100 D101 | C95-Y97 PolarHBondContact O-N 3.23Å; Y97-S99 VanDerWaalsContact C-N 3.33Å; Y97-S99 PolarHBondContact O-N 3.06Å; Y97-W100 PolarHBondContact O-N 2.92Å; Y97-D101 PolarHBondContact O-N 3.18Å |
| 98 | R | 76.9 | Confident | 72.6 | Confident | 209 Ų | 209 | 118.3 Ų | 118.3 | 79% | 0.789 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.5 | -26.6 | 178.7 | -77.4 | -171.9 | 171.4 | -172.9 | -1.6 | 113.8 | D96 | D96-R98 PolarHBondContact O-N 2.89Å; D96-R98 VanDerWaalsContact O-N 3.07Å |
| 99 | S | 77.9 | Confident | 74.1 | Confident | 27 Ų | 27 | 116.2 Ų | 116.2 | 19% | 0.189 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -85.4 | -26 | 173.9 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | D96 Y97 K102 F103 | D96-S99 WeakPolarHBondContact CB-OG 3.42Å; D96-S99 PolarHBondContact O-N 2.6Å; D96-S99 PolarHBondContact O-OG 3.03Å; D96-S99 WeakPolarHBondContact OD2-CB 3.4Å; D96-S99 PolarHBondContact OD2-OG 3.37Å; Y97-S99 VanDerWaalsContact C-N 3.33Å; Y97-S99 PolarHBondContact O-N 3.06Å; S99-K102 PolarHBondContact O-N 3.3Å; S99-F103 PolarHBondContact O-N 2.78Å |
| 100 | W | 77.1 | Confident | 75.5 | Confident | 115 Ų | 115 | 114.2 Ų | 114.2 | 44% | 0.436 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.9 | -38.6 | 170 | -76 | 94.3 | 0 | 0 | 0 | 113.1 | L92 K93 D96 Y97 K102 F103 | L92-W100 HydrophobicContact CB-CZ2 4.24Å; K93-W100 PolarHBondContact O-NE1 3.5Å; D96-W100 VanDerWaalsContact O-CD1 3.27Å; D96-W100 PolarHBondContact O-N 3.27Å; Y97-W100 PolarHBondContact O-N 2.92Å; W100-K102 PolarHBondContact O-N 3.2Å; W100-K102 VanDerWaalsContact O-N 3.16Å; W100-F103 HydrophobicContact CE3-CD1 4.49Å; W100-F103 HydrophobicContact CZ3-CD1 4.45Å; W100-F103 WeakPolarHBondContact O-CB 3.45Å; W100-F103 PolarHBondContact O-N 3Å |
| 101 | D | 77.4 | Confident | 76.4 | Confident | 151 Ų | 151 | 115 Ų | 115 | 81% | 0.807 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -22.9 | 175.9 | -94.7 | -6.1 | 0 | 0 | 0 | 113.6 | Y97 | Y97-D101 PolarHBondContact O-N 3.18Š|
| 102 | K | 79.6 | Confident | 76.6 | Confident | 184 Ų | 184 | 109.5 Ų | 109.5 | 80% | 0.8 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -0.6 | 177.9 | -62 | -178.9 | -177.2 | -176.5 | 0 | 112.8 | S99 W100 | S99-K102 PolarHBondContact O-N 3.3Å; W100-K102 PolarHBondContact O-N 3.2Å; W100-K102 VanDerWaalsContact O-N 3.16Å |
| 103 | F | 80.3 | Confident | 76.5 | Confident | 88 Ų | 88 | 111.1 Ų | 111.1 | 39% | 0.386 | 56% | 0.555 | S | S | . | * | trans | -84.3 | 117.8 | -178.6 | -177.2 | -105 | 0 | 0 | 0 | 109.5 | L92 S99 W100 V105 A108 | L92-F103 HydrophobicContact CD1-CB 3.96Å; L92-F103 HydrophobicContact CD1-CD2 3.58Å; L92-F103 HydrophobicContact CD1-CE2 4.3Å; L92-F103 HydrophobicContact CD1-CG 3.88Å; S99-F103 PolarHBondContact O-N 2.78Å; W100-F103 HydrophobicContact CE3-CD1 4.49Å; W100-F103 HydrophobicContact CZ3-CD1 4.45Å; W100-F103 WeakPolarHBondContact O-CB 3.45Å; W100-F103 PolarHBondContact O-N 3Å; F103-V105 HydrophobicContact CD1-CG2 3.87Å; F103-V105 HydrophobicContact CE1-CG2 4.24Å; F103-V105 PolarHBondContact O-N 3.24Å; F103-V105 VanDerWaalsContact O-N 3.14Å; F103-A108 HydrophobicContact CE1-CB 3.95Å; F103-A108 HydrophobicContact CE2-CB 4.38Å; F103-A108 HydrophobicContact CZ-CB 3.5Å | ||
| 104 | D | 79.1 | Confident | 76.3 | Confident | 90 Ų | 90 | 110.6 Ų | 110.6 | 48% | 0.481 | 55% | 0.553 | S | S | . | * | trans | -80.2 | 95.1 | 178.6 | -170.4 | -22.6 | 0 | 0 | 0 | 109.6 | D106 K107 A108 | D104-D106 VanDerWaalsContact C-N 3.32Å; D104-D106 PolarHBondContact OD1-N 2.8Å; D104-K107 HydrophobicContact CB-CB 4.05Å; D104-K107 PolarHBondContact OD1-N 2.83Å; D104-A108 PolarHBondContact O-N 3.18Å | ||
| 105 | V | 79.8 | Confident | 75.8 | Confident | 78 Ų | 78 | 112.4 Ų | 112.4 | 47% | 0.473 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.1 | -39 | -177.4 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | F103 A108 L109 | F103-V105 HydrophobicContact CD1-CG2 3.87Å; F103-V105 HydrophobicContact CE1-CG2 4.24Å; F103-V105 PolarHBondContact O-N 3.24Å; F103-V105 VanDerWaalsContact O-N 3.14Å; V105-A108 PolarHBondContact O-N 2.71Å; V105-L109 HydrophobicContact CG1-CD1 3.84Å; V105-L109 HydrophobicContact CG1-CG 4.26Å; V105-L109 WeakPolarHBondContact O-CB 3.42Å; V105-L109 WeakPolarHBondContact O-CG 3.26Å; V105-L109 PolarHBondContact O-N 3.39Å |
| 106 | D | 76.6 | Confident | 75.1 | Confident | 126 Ų | 126 | 109.6 Ų | 109.6 | 67% | 0.674 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.1 | -39.5 | -176.5 | -63.6 | -34.2 | 0 | 0 | 0 | 110.9 | D104 L109 A110 | D104-D106 VanDerWaalsContact C-N 3.32Å; D104-D106 PolarHBondContact OD1-N 2.8Å; D106-L109 PolarHBondContact O-N 3.44Å; D106-A110 WeakPolarHBondContact O-CB 3.43Å; D106-A110 PolarHBondContact O-N 3.24Å |
| 107 | K | 82.9 | Confident | 73.7 | Confident | 128 Ų | 128 | 112.4 Ų | 112.4 | 56% | 0.557 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66 | -39.9 | 173.5 | -172.6 | 177.4 | 179.2 | -178.4 | 0 | 112.7 | D104 A110 E111 | D104-K107 HydrophobicContact CB-CB 4.05Å; D104-K107 PolarHBondContact OD1-N 2.83Å; K107-A110 PolarHBondContact O-N 3.38Å; K107-E111 PolarHBondContact O-N 3.01Å |
| 108 | A | 77.3 | Confident | 72.5 | Confident | 27 Ų | 27 | 107.2 Ų | 107.2 | 22% | 0.223 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -68.7 | -37.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F103 D104 V105 E111 M112 | F103-A108 HydrophobicContact CE1-CB 3.95Å; F103-A108 HydrophobicContact CE2-CB 4.38Å; F103-A108 HydrophobicContact CZ-CB 3.5Å; D104-A108 PolarHBondContact O-N 3.18Å; V105-A108 PolarHBondContact O-N 2.71Å; A108-E111 PolarHBondContact O-N 3.42Å; A108-M112 WeakPolarHBondContact O-CG 3.15Å; A108-M112 PolarHBondContact O-N 3.3Å |
| 109 | L | 73.6 | Confident | 71.1 | Confident | 84 Ų | 84 | 102.4 Ų | 102.4 | 44% | 0.44 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 172.7 | -75 | 170.6 | 0 | 0 | 0 | 110.9 | V105 D106 E111 M112 D113 | V105-L109 HydrophobicContact CG1-CD1 3.84Å; V105-L109 HydrophobicContact CG1-CG 4.26Å; V105-L109 WeakPolarHBondContact O-CB 3.42Å; V105-L109 WeakPolarHBondContact O-CG 3.26Å; V105-L109 PolarHBondContact O-N 3.39Å; D106-L109 PolarHBondContact O-N 3.44Å; L109-E111 VanDerWaalsContact C-N 3.31Å; L109-E111 PolarHBondContact O-N 3.27Å; L109-M112 PolarHBondContact O-N 2.93Å; L109-M112 VanDerWaalsContact O-N 3.12Å; L109-D113 WeakPolarHBondContact O-CB 3.46Å; L109-D113 VanDerWaalsContact O-CG 3.25Å; L109-D113 PolarHBondContact O-N 3.08Å |
| 110 | A | 79.1 | Confident | 69.4 | Low | 57 Ų | 57 | 108.9 Ų | 108.9 | 47% | 0.471 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.8 | -35.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | D106 K107 K114 | D106-A110 WeakPolarHBondContact O-CB 3.43Å; D106-A110 PolarHBondContact O-N 3.24Å; K107-A110 PolarHBondContact O-N 3.38Å; A110-K114 WeakPolarHBondContact O-CB 3.49Å; A110-K114 PolarHBondContact O-N 2.93Å |
| 111 | E | 79.1 | Confident | 67.5 | Low | 120 Ų | 120 | 107.4 Ų | 107.4 | 56% | 0.561 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.4 | -40.4 | 172.7 | -81.9 | 179 | -176.5 | 0 | 0 | 112.2 | K107 A108 L109 K114 E115 | K107-E111 PolarHBondContact O-N 3.01Å; A108-E111 PolarHBondContact O-N 3.42Å; L109-E111 VanDerWaalsContact C-N 3.31Å; L109-E111 PolarHBondContact O-N 3.27Å; E111-K114 PolarHBondContact O-N 3.37Å; E111-E115 PolarHBondContact O-N 2.98Å |
| 112 | M | 70.6 | Confident | 66 | Low | 123 Ų | 123 | 106 Ų | 106 | 61% | 0.606 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.9 | -39.9 | 174.8 | -79.6 | -172.1 | 55.4 | 0 | 0 | 112.4 | A108 L109 K114 E115 A116 | A108-M112 WeakPolarHBondContact O-CG 3.15Å; A108-M112 PolarHBondContact O-N 3.3Å; L109-M112 PolarHBondContact O-N 2.93Å; L109-M112 VanDerWaalsContact O-N 3.12Å; M112-K114 VanDerWaalsContact C-N 3.34Å; M112-E115 CarbonylContact O-C 3.46Å; M112-E115 PolarHBondContact O-N 3.07Å; M112-A116 WeakPolarHBondContact O-CB 3.47Å; M112-A116 PolarHBondContact O-N 3.19Å |
| 113 | D | 71.6 | Confident | 64.3 | Low | 94 Ų | 94 | 105.1 Ų | 105.1 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.2 | -36.8 | 177.5 | -68.5 | -20.1 | 0 | 0 | 0 | 110.4 | L109 E115 A116 E117 | L109-D113 WeakPolarHBondContact O-CB 3.46Å; L109-D113 VanDerWaalsContact O-CG 3.25Å; L109-D113 PolarHBondContact O-N 3.08Å; D113-E115 PolarHBondContact O-N 3.41Å; D113-A116 CarbonylContact O-C 3.59Å; D113-A116 PolarHBondContact O-N 3.39Å; D113-E117 WeakPolarHBondContact O-CB 3.15Å; D113-E117 WeakPolarHBondContact O-CG 3.43Å; D113-E117 PolarHBondContact O-N 3.42Å |
| 114 | K | 72.1 | Confident | 63.1 | Low | 156 Ų | 156 | 110 Ų | 110 | 68% | 0.678 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.8 | -38.2 | 172.1 | -133.2 | 173.3 | -173.7 | 174.2 | 0 | 113 | A110 E111 M112 S118 | A110-K114 WeakPolarHBondContact O-CB 3.49Å; A110-K114 PolarHBondContact O-N 2.93Å; E111-K114 PolarHBondContact O-N 3.37Å; M112-K114 VanDerWaalsContact C-N 3.34Å; K114-S118 PolarHBondContact O-N 2.73Å |
| 115 | E | 58.1 | Low | 61.9 | Low | 133 Ų | 133 | 113.8 Ų | 113.8 | 62% | 0.621 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -69.9 | -34.1 | 172.1 | -74.4 | -170.9 | 169.1 | 0 | 0 | 111.6 | E111 M112 D113 S118 N119 | E111-E115 PolarHBondContact O-N 2.98Å; M112-E115 CarbonylContact O-C 3.46Å; M112-E115 PolarHBondContact O-N 3.07Å; D113-E115 PolarHBondContact O-N 3.41Å; E115-S118 PolarHBondContact O-N 2.88Å; E115-S118 PolarHBondContact O-OG 2.96Å; E115-N119 PolarHBondContact O-N 2.92Å; E115-N119 PolarHBondContact O-ND2 3.03Å |
| 116 | A | 54.3 | Low | 61.1 | Low | 47 Ų | 47 | 112.3 Ų | 112.3 | 39% | 0.388 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.3 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M112 D113 S118 N119 E120 | M112-A116 WeakPolarHBondContact O-CB 3.47Å; M112-A116 PolarHBondContact O-N 3.19Å; D113-A116 CarbonylContact O-C 3.59Å; D113-A116 PolarHBondContact O-N 3.39Å; A116-S118 PolarHBondContact O-N 3.41Å; A116-N119 CarbonylContact O-C 3.33Å; A116-N119 PolarHBondContact O-N 3.12Å; A116-E120 PolarHBondContact O-N 3.39Å |
| 117 | E | 50.5 | Low | 61.2 | Low | 142 Ų | 142 | 109.9 Ų | 109.9 | 66% | 0.664 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -58.7 | -36 | 172.3 | -76.2 | 178 | 172.7 | 0 | 0 | 111.6 | D113 N119 | D113-E117 WeakPolarHBondContact O-CB 3.15Å; D113-E117 WeakPolarHBondContact O-CG 3.43Å; D113-E117 PolarHBondContact O-N 3.42Å; E117-N119 VanDerWaalsContact C-N 3.3Å; E117-N119 PolarHBondContact O-N 3.33Å |
| 118 | S | 49.7 | Very low | 61.3 | Low | 73 Ų | 73 | 110.1 Ų | 110.1 | 51% | 0.51 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -71.6 | -21 | 174.3 | 76.1 | 0 | 0 | 0 | 0 | 114.3 | K114 E115 A116 | K114-S118 PolarHBondContact O-N 2.73Å; E115-S118 PolarHBondContact O-N 2.88Å; E115-S118 PolarHBondContact O-OG 2.96Å; A116-S118 PolarHBondContact O-N 3.41Å |
| 119 | N | 47.1 | Very low | 61.8 | Low | 108 Ų | 108 | 115 Ų | 115 | 58% | 0.578 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -98.3 | -21.2 | 177.8 | -72.6 | -57.8 | 0 | 0 | 0 | 113 | E115 A116 E117 S121 D122 | E115-N119 PolarHBondContact O-N 2.92Å; E115-N119 PolarHBondContact O-ND2 3.03Å; A116-N119 CarbonylContact O-C 3.33Å; A116-N119 PolarHBondContact O-N 3.12Å; E117-N119 VanDerWaalsContact C-N 3.3Å; E117-N119 PolarHBondContact O-N 3.33Å; N119-S121 VanDerWaalsContact C-N 3.3Å; N119-D122 PolarHBondContact O-N 2.94Å |
| 120 | E | 40.7 | Very low | 62.5 | Low | 163 Ų | 163 | 117.5 Ų | 117.5 | 76% | 0.762 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -76.1 | -18.3 | 172.1 | -84.7 | -144.1 | 158.6 | 0 | 0 | 113 | A116 D122 | A116-E120 PolarHBondContact O-N 3.39Å; E120-D122 PolarHBondContact O-N 3.36Å |
| 121 | S | 37.3 | Very low | 63 | Low | 83 Ų | 83 | 114.8 Ų | 114.8 | 58% | 0.58 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -8.6 | 170.6 | -166.6 | 0 | 0 | 0 | 0 | 113.5 | N119 Q123 | N119-S121 VanDerWaalsContact C-N 3.3Å; S121-Q123 PolarHBondContact O-N 3.09Å |
| 122 | D | 46.4 | Very low | 63.6 | Low | 123 Ų | 123 | 112.8 Ų | 112.8 | 66% | 0.658 | 57% | 0.566 | S | S | * | * | trans | -86.9 | 46.6 | 172.5 | -72.3 | -19.3 | 0 | 0 | 0 | 111 | N119 E120 E124 | N119-D122 PolarHBondContact O-N 2.94Å; E120-D122 PolarHBondContact O-N 3.36Å; D122-E124 PolarHBondContact O-N 3.48Å | ||
| 123 | Q | 45.2 | Very low | 64.8 | Low | 165 Ų | 165 | 109.3 Ų | 109.3 | 77% | 0.771 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -59 | 122.4 | 150.5 | -74.8 | 172.6 | 0.8 | 0 | 0 | 105.4 | S121 E125 | S121-Q123 PolarHBondContact O-N 3.09Å; Q123-E125 VanDerWaalsContact C-N 3.32Å; Q123-E125 PolarHBondContact O-N 3.2Å |
| 124 | E | 54 | Low | 65.8 | Low | 189 Ų | 189 | 106.3 Ų | 106.3 | 88% | 0.883 | 54% | 0.54 | S | S | * | . | trans | -33.7 | 93.3 | -177.1 | -65.1 | -175 | 163.5 | 0 | 0 | 111.2 | D122 V126 | D122-E124 PolarHBondContact O-N 3.48Å; E124-V126 VanDerWaalsContact C-N 3.3Å; E124-V126 PolarHBondContact O-N 3.29Å | ||
| 125 | E | 54.3 | Low | 66.9 | Low | 171 Ų | 171 | 100.7 Ų | 100.7 | 80% | 0.799 | 52% | 0.515 | S | S | * | . | trans | -65.7 | 104.6 | 178.4 | -84.2 | -158.2 | 153.8 | 0 | 0 | 104.3 | Q123 D127 | Q123-E125 VanDerWaalsContact C-N 3.32Å; Q123-E125 PolarHBondContact O-N 3.2Å; E125-D127 PolarHBondContact O-N 3.38Å | ||
| 126 | V | 62 | Low | 68.7 | Low | 47 Ų | 47 | 98.4 Ų | 98.4 | 29% | 0.285 | 51% | 0.505 | S | S | . | . | trans | -51.6 | 108 | 170.6 | 175.8 | 0 | 0 | 0 | 0 | 105.4 | E124 K128 A160 D161 Y163 | E124-V126 VanDerWaalsContact C-N 3.3Å; E124-V126 PolarHBondContact O-N 3.29Å; V126-K128 HydrophobicContact CB-CG 4.48Å; V126-K128 HydrophobicContact CG1-CG 3.87Å; V126-K128 PolarHBondContact O-N 3.05Å; V126-A160 WeakPolarHBondContact CG1-O 3.39Å; V126-D161 HydrophobicContact CG1-CB 3.77Å; V126-D161 WeakPolarHBondContact CG1-OD1 3.07Å; V126-Y163 HydrophobicContact CG2-CD2 4.25Å; V126-Y163 HydrophobicContact CG2-CE2 4.11Å | ||
| 127 | D | 79.8 | Confident | 70.6 | Confident | 75 Ų | 75 | 99.6 Ų | 99.6 | 40% | 0.401 | 50% | 0.504 | S | S | . | . | trans | -79.5 | 71.7 | -172.7 | -165.9 | -12.5 | 0 | 0 | 0 | 107.4 | E125 D129 R130 A131 A160 | E125-D127 PolarHBondContact O-N 3.38Å; D127-D129 PolarHBondContact O-N 3.33Å; D127-R130 HydrophobicContact CB-CB 3.91Å; D127-R130 WeakPolarHBondContact O-CB 3.4Å; D127-R130 PolarHBondContact O-N 3.17Å; D127-R130 VanDerWaalsContact O-N 3.1Å; D127-R130 VanDerWaalsContact OD1-CB 3.29Å; D127-R130 WeakPolarHBondContact OD1-CB 3.28Å; D127-R130 PolarHBondContact OD1-N 3.46Å; D127-R130 WeakPolarHBondContact OD2-CB 3.36Å; D127-R130 WeakPolarHBondContact OD2-CD 3.36Å; D127-A131 PolarHBondContact O-N 3.42Å; D127-A160 PolarHBondContact N-O 2.97Å | ||
| 128 | K | 84 | Confident | 72.8 | Confident | 132 Ų | 132 | 92.8 Ų | 92.8 | 57% | 0.574 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -57.8 | -37 | -174.3 | -69.9 | 176.4 | -175.7 | 172.1 | 0 | 110.8 | V126 A131 L132 | V126-K128 HydrophobicContact CB-CG 4.48Å; V126-K128 HydrophobicContact CG1-CG 3.87Å; V126-K128 PolarHBondContact O-N 3.05Å; K128-A131 PolarHBondContact O-N 3.25Å; K128-L132 WeakPolarHBondContact O-CB 3.46Å; K128-L132 VanDerWaalsContact O-CG 3.25Å; K128-L132 WeakPolarHBondContact O-CG 3.28Å; K128-L132 PolarHBondContact O-N 3.41Å |
| 129 | D | 87.4 | Confident | 74.9 | Confident | 129 Ų | 129 | 91.1 Ų | 91.1 | 69% | 0.69 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.6 | -42.5 | 177.9 | -71.3 | -18.1 | 0 | 0 | 0 | 111.3 | D127 L132 A133 | D127-D129 PolarHBondContact O-N 3.33Å; D129-L132 PolarHBondContact O-N 3.31Å; D129-A133 WeakPolarHBondContact O-CB 3.48Å; D129-A133 PolarHBondContact O-N 3.13Å |
| 130 | R | 88.6 | Confident | 77.3 | Confident | 137 Ų | 137 | 91.8 Ų | 91.8 | 52% | 0.517 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 173 | -177.9 | 177.1 | 179.3 | -177.4 | -3.6 | 112.3 | D127 L132 A133 E134 A160 | D127-R130 HydrophobicContact CB-CB 3.91Å; D127-R130 WeakPolarHBondContact O-CB 3.4Å; D127-R130 PolarHBondContact O-N 3.17Å; D127-R130 VanDerWaalsContact O-N 3.1Å; D127-R130 VanDerWaalsContact OD1-CB 3.29Å; D127-R130 WeakPolarHBondContact OD1-CB 3.28Å; D127-R130 PolarHBondContact OD1-N 3.46Å; D127-R130 WeakPolarHBondContact OD2-CB 3.36Å; D127-R130 WeakPolarHBondContact OD2-CD 3.36Å; R130-L132 VanDerWaalsContact C-N 3.34Å; R130-L132 PolarHBondContact O-N 2.98Å; R130-A133 PolarHBondContact O-N 3.44Å; R130-E134 WeakPolarHBondContact O-CG 3.4Å; R130-E134 PolarHBondContact O-N 2.91Å; R130-A160 HydrophobicContact CB-CB 4.43Å; R130-A160 HydrophobicContact CG-CB 4.24Å |
| 131 | A | 90.9 | Very high | 79.9 | Confident | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.3 | -41 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D127 K128 K135 A160 D161 L167 | D127-A131 PolarHBondContact O-N 3.42Å; K128-A131 PolarHBondContact O-N 3.25Å; A131-K135 VanDerWaalsContact O-CB 3.26Å; A131-K135 WeakPolarHBondContact O-CB 3.45Å; A131-K135 PolarHBondContact O-N 3.48Å; A131-A160 HydrophobicContact CB-CB 4.04Å; A131-D161 HydrophobicContact CB-CB 3.38Å; A131-L167 HydrophobicContact CB-CD1 4.39Å |
| 132 | L | 91.7 | Very high | 82.7 | Confident | 78 Ų | 78 | 83.6 Ų | 83.6 | 41% | 0.408 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 174.4 | -72.5 | 171.9 | 0 | 0 | 0 | 112.1 | K128 D129 R130 K135 E136 | K128-L132 WeakPolarHBondContact O-CB 3.46Å; K128-L132 VanDerWaalsContact O-CG 3.25Å; K128-L132 WeakPolarHBondContact O-CG 3.28Å; K128-L132 PolarHBondContact O-N 3.41Å; D129-L132 PolarHBondContact O-N 3.31Å; R130-L132 VanDerWaalsContact C-N 3.34Å; R130-L132 PolarHBondContact O-N 2.98Å; L132-K135 WeakPolarHBondContact O-CB 3.45Å; L132-K135 PolarHBondContact O-N 3.49Å; L132-E136 WeakPolarHBondContact O-CG 3.47Å; L132-E136 PolarHBondContact O-N 3.26Å |
| 133 | A | 94.1 | Very high | 85.1 | Confident | 51 Ų | 51 | 86.5 Ų | 86.5 | 42% | 0.421 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D129 R130 K135 E136 N137 | D129-A133 WeakPolarHBondContact O-CB 3.48Å; D129-A133 PolarHBondContact O-N 3.13Å; R130-A133 PolarHBondContact O-N 3.44Å; A133-K135 VanDerWaalsContact C-N 3.33Å; A133-K135 PolarHBondContact O-N 3.38Å; A133-E136 PolarHBondContact O-N 3.5Å; A133-N137 VanDerWaalsContact O-CG 3.27Å; A133-N137 PolarHBondContact O-N 2.95Å; A133-N137 PolarHBondContact O-ND2 3.33Å |
| 134 | E | 94.2 | Very high | 87.5 | Confident | 30 Ų | 30 | 84.6 Ų | 84.6 | 14% | 0.14 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.7 | -36.6 | 176.2 | -70.3 | -73.3 | -178.3 | 0 | 0 | 111.8 | R130 N137 G138 R156 | R130-E134 WeakPolarHBondContact O-CG 3.4Å; R130-E134 PolarHBondContact O-N 2.91Å; E134-N137 PolarHBondContact O-N 2.93Å; E134-G138 PolarHBondContact O-N 2.86Å; E134-R156 HydrophobicContact CG-CB 4.33Å; E134-R156 IonicContact OE1-NE 3.01Å; E134-R156 PolarHBondContact OE1-NE 3.33Å; E134-R156 IonicContact OE2-CZ 3.22Å; E134-R156 IonicContact OE2-NE 2.65Å; E134-R156 PolarHBondContact OE2-NE 3Å; E134-R156 IonicContact OE2-NH2 4Å; E134-R156 PolarHBondContact OE2-NH2 3.03Å |
| 135 | K | 94.9 | Very high | 89.4 | Confident | 38 Ų | 38 | 77.2 Ų | 77.2 | 17% | 0.165 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.4 | -48 | 172.4 | -175.7 | -153.5 | 68 | 170.8 | 0 | 111.5 | A131 L132 A133 G138 N139 V166 L167 | A131-K135 VanDerWaalsContact O-CB 3.26Å; A131-K135 WeakPolarHBondContact O-CB 3.45Å; A131-K135 PolarHBondContact O-N 3.48Å; L132-K135 WeakPolarHBondContact O-CB 3.45Å; L132-K135 PolarHBondContact O-N 3.49Å; A133-K135 VanDerWaalsContact C-N 3.33Å; A133-K135 PolarHBondContact O-N 3.38Å; K135-G138 PolarHBondContact O-N 3.48Å; K135-N139 WeakPolarHBondContact O-CB 3.47Å; K135-N139 PolarHBondContact O-N 3.46Å; K135-N139 PolarHBondContact O-ND2 3.28Å; K135-N139 PolarHBondContact O-OD1 3.22Å; K135-V166 HydrophobicContact CD-CG1 4.46Å; K135-L167 HydrophobicContact CB-CD2 3.74Å; K135-L167 HydrophobicContact CG-CD2 4.03Å |
| 136 | E | 95.8 | Very high | 91.4 | Very high | 86 Ų | 86 | 73.7 Ų | 73.7 | 40% | 0.402 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.8 | -36.4 | 178.5 | -67.9 | -52 | 143.6 | 0 | 0 | 112.3 | L132 A133 N139 K140 | L132-E136 WeakPolarHBondContact O-CG 3.47Å; L132-E136 PolarHBondContact O-N 3.26Å; A133-E136 PolarHBondContact O-N 3.5Å; E136-N139 WeakPolarHBondContact O-CB 3.46Å; E136-N139 PolarHBondContact O-N 3.19Å; E136-N139 PolarHBondContact OE2-ND2 3.46Å; E136-K140 WeakPolarHBondContact O-CG 3.11Å; E136-K140 PolarHBondContact O-N 3.28Å |
| 137 | N | 94.4 | Very high | 93 | Very high | 71 Ų | 71 | 74.5 Ų | 74.5 | 38% | 0.38 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 173.1 | -71 | -21.7 | 0 | 0 | 0 | 111.6 | A133 E134 N139 K140 L141 | A133-N137 VanDerWaalsContact O-CG 3.27Å; A133-N137 PolarHBondContact O-N 2.95Å; A133-N137 PolarHBondContact O-ND2 3.33Å; E134-N137 PolarHBondContact O-N 2.93Å; N137-N139 VanDerWaalsContact C-N 3.28Å; N137-N139 PolarHBondContact O-N 3.44Å; N137-K140 WeakPolarHBondContact O-CB 3.46Å; N137-K140 PolarHBondContact O-N 2.91Å; N137-K140 VanDerWaalsContact O-N 3.17Å; N137-L141 WeakPolarHBondContact O-CG 3.35Å; N137-L141 PolarHBondContact O-N 3.37Å |
| 138 | G | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.1 | -40.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E134 K135 K140 L141 F142 Y154 | E134-G138 PolarHBondContact O-N 2.86Å; K135-G138 PolarHBondContact O-N 3.48Å; G138-K140 PolarHBondContact O-N 2.98Å; G138-L141 PolarHBondContact O-N 3.24Å; G138-F142 VanDerWaalsContact O-CB 3.27Å; G138-F142 WeakPolarHBondContact O-CB 3.45Å; G138-F142 PolarHBondContact O-N 3.48Å; G138-Y154 PolarHBondContact O-OH 2.91Å |
| 139 | N | 95.3 | Very high | 94.2 | Very high | 38 Ų | 38 | 73.7 Ų | 73.7 | 20% | 0.203 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 176.6 | -70.7 | -19.5 | 0 | 0 | 0 | 112.4 | K135 E136 N137 K143 Y154 N170 | K135-N139 WeakPolarHBondContact O-CB 3.47Å; K135-N139 PolarHBondContact O-N 3.46Å; K135-N139 PolarHBondContact O-ND2 3.28Å; K135-N139 PolarHBondContact O-OD1 3.22Å; E136-N139 WeakPolarHBondContact O-CB 3.46Å; E136-N139 PolarHBondContact O-N 3.19Å; E136-N139 PolarHBondContact OE2-ND2 3.46Å; N137-N139 VanDerWaalsContact C-N 3.28Å; N137-N139 PolarHBondContact O-N 3.44Å; N139-K143 WeakPolarHBondContact O-CG 3.38Å; N139-K143 PolarHBondContact O-N 3Å; N139-K143 VanDerWaalsContact O-N 3.15Å; N139-Y154 WeakPolarHBondContact CA-OH 3.49Å; N139-Y154 PolarHBondContact N-OH 3.04Å; N139-Y154 PolarHBondContact OD1-OH 3.49Å; N139-N170 PolarHBondContact OD1-ND2 3.49Å |
| 140 | K | 96.6 | Very high | 94.7 | Very high | 121 Ų | 121 | 67.5 Ų | 67.5 | 53% | 0.526 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.6 | -50.7 | 174.9 | -70.8 | 170.8 | -174.3 | 172.3 | 0 | 110.8 | E136 N137 G138 F142 K143 E144 | E136-K140 WeakPolarHBondContact O-CG 3.11Å; E136-K140 PolarHBondContact O-N 3.28Å; N137-K140 WeakPolarHBondContact O-CB 3.46Å; N137-K140 PolarHBondContact O-N 2.91Å; N137-K140 VanDerWaalsContact O-N 3.17Å; G138-K140 PolarHBondContact O-N 2.98Å; K140-F142 VanDerWaalsContact C-N 3.28Å; K140-F142 PolarHBondContact O-N 3.11Å; K140-K143 WeakPolarHBondContact O-CB 3.45Å; K140-K143 PolarHBondContact O-N 3.43Å; K140-K143 VanDerWaalsContact O-N 3.07Å; K140-E144 WeakPolarHBondContact O-CG 3.44Å; K140-E144 PolarHBondContact O-N 2.98Å |
| 141 | L | 96.4 | Very high | 95 | Very high | 27 Ų | 27 | 61.9 Ų | 61.9 | 14% | 0.141 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.8 | -36.9 | 178.4 | -68.4 | 168.7 | 0 | 0 | 0 | 112.4 | N137 G138 K143 E144 G145 K146 E149 A150 C153 | N137-L141 WeakPolarHBondContact O-CG 3.35Å; N137-L141 PolarHBondContact O-N 3.37Å; G138-L141 PolarHBondContact O-N 3.24Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 3.26Å; L141-E144 CarbonylContact O-C 3.59Å; L141-E144 PolarHBondContact O-N 3.23Å; L141-G145 PolarHBondContact O-N 3.08Å; L141-G145 VanDerWaalsContact O-N 3.13Å; L141-K146 HydrophobicContact CD2-CD 4.11Å; L141-K146 PolarHBondContact O-N 2.75Å; L141-E149 HydrophobicContact CD1-CB 4Å; L141-A150 HydrophobicContact CB-CB 3.99Å; L141-C153 WeakPolarHBondContact CD1-SG 3.48Å |
| 142 | F | 96.3 | Very high | 95.3 | Very high | 48 Ų | 48 | 67.6 Ų | 67.6 | 21% | 0.211 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.2 | -41 | 174.2 | -175.6 | -87.4 | 0 | 0 | 0 | 112 | G138 K140 E144 G145 Y147 A150 T173 S174 R177 | G138-F142 VanDerWaalsContact O-CB 3.27Å; G138-F142 WeakPolarHBondContact O-CB 3.45Å; G138-F142 PolarHBondContact O-N 3.48Å; K140-F142 VanDerWaalsContact C-N 3.28Å; K140-F142 PolarHBondContact O-N 3.11Å; F142-E144 VanDerWaalsContact C-N 3.32Å; F142-G145 PolarHBondContact O-N 3.06Å; F142-G145 VanDerWaalsContact O-N 3.17Å; F142-Y147 AromaticContact CD2-CD1 3.75Å; F142-Y147 HydrophobicContact CD2-CD1 3.75Å; F142-Y147 AromaticContact CD2-CE1 3.92Å; F142-Y147 HydrophobicContact CD2-CE1 3.92Å; F142-Y147 AromaticContact CE2-CD1 3.84Å; F142-Y147 HydrophobicContact CE2-CD1 3.84Å; F142-Y147 AromaticContact CE2-CE1 3.78Å; F142-Y147 HydrophobicContact CE2-CE1 3.78Å; F142-Y147 HydrophobicContact CG-CE1 4.46Å; F142-Y147 HydrophobicContact CZ-CE1 4.2Å; F142-A150 HydrophobicContact CB-CB 4.4Å; F142-T173 HydrophobicContact CE2-CG2 3.92Å; F142-T173 HydrophobicContact CZ-CG2 3.67Å; F142-S174 WeakPolarHBondContact CD2-OG 3.16Å; F142-R177 HydrophobicContact CE2-CG 4.02Å; F142-R177 HydrophobicContact CZ-CG 4.01Å |
| 143 | K | 95.9 | Very high | 95.4 | Very high | 184 Ų | 184 | 64.1 Ų | 64.1 | 80% | 0.8 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67.4 | -32.6 | 174.8 | -71.4 | 173 | -178 | 178.9 | 0 | 112.3 | N139 K140 L141 G145 | N139-K143 WeakPolarHBondContact O-CG 3.38Å; N139-K143 PolarHBondContact O-N 3Å; N139-K143 VanDerWaalsContact O-N 3.15Å; K140-K143 WeakPolarHBondContact O-CB 3.45Å; K140-K143 PolarHBondContact O-N 3.43Å; K140-K143 VanDerWaalsContact O-N 3.07Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 3.26Å; K143-G145 PolarHBondContact O-N 3.21Å |
| 144 | E | 95.9 | Very high | 95.5 | Very high | 124 Ų | 124 | 61.9 Ų | 61.9 | 58% | 0.579 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -8.6 | 173.5 | -67.9 | 173.3 | -161.9 | 0 | 0 | 113.2 | K140 L141 F142 K146 | K140-E144 WeakPolarHBondContact O-CG 3.44Å; K140-E144 PolarHBondContact O-N 2.98Å; L141-E144 CarbonylContact O-C 3.59Å; L141-E144 PolarHBondContact O-N 3.23Å; F142-E144 VanDerWaalsContact C-N 3.32Å; E144-K146 VanDerWaalsContact C-N 3.33Å; E144-K146 IonicContact OE2-NZ 3.75Å |
| 145 | G | 93.3 | Very high | 95.6 | Very high | 35 Ų | 35 | 63.3 Ų | 63.3 | 36% | 0.361 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L141 F142 K143 Y147 | L141-G145 PolarHBondContact O-N 3.08Å; L141-G145 VanDerWaalsContact O-N 3.13Å; F142-G145 PolarHBondContact O-N 3.06Å; F142-G145 VanDerWaalsContact O-N 3.17Å; K143-G145 PolarHBondContact O-N 3.21Å; G145-Y147 VanDerWaalsContact O-CD2 3.32Å; G145-Y147 WeakPolarHBondContact O-CD2 3.36Å; G145-Y147 WeakPolarHBondContact O-CE2 3.45Å; G145-Y147 PolarHBondContact O-N 3.34Å |
| 146 | K | 95.8 | Very high | 95.6 | Very high | 96 Ų | 96 | 66.4 Ų | 66.4 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | trans | -87.5 | 78.6 | 177.2 | -65.3 | 179 | 178.8 | 176.5 | 0 | 110.6 | L141 E144 E149 A150 | L141-K146 HydrophobicContact CD2-CD 4.11Å; L141-K146 PolarHBondContact O-N 2.75Å; E144-K146 VanDerWaalsContact C-N 3.33Å; E144-K146 IonicContact OE2-NZ 3.75Å; K146-E149 HydrophobicContact CB-CB 4.43Å; K146-E149 IonicContact NZ-OE2 2.8Å; K146-A150 WeakPolarHBondContact O-CB 3.5Å; K146-A150 PolarHBondContact O-N 3.19Å; K146-A150 VanDerWaalsContact O-N 3.17Å | ||
| 147 | Y | 95.9 | Very high | 95.5 | Very high | 65 Ų | 65 | 62.3 Ų | 62.3 | 26% | 0.255 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.8 | -36.9 | -171.5 | -54.3 | -62.4 | 0 | 0 | 0 | 114 | F142 G145 A150 I151 R177 L178 | F142-Y147 AromaticContact CD2-CD1 3.75Å; F142-Y147 HydrophobicContact CD2-CD1 3.75Å; F142-Y147 AromaticContact CD2-CE1 3.92Å; F142-Y147 HydrophobicContact CD2-CE1 3.92Å; F142-Y147 AromaticContact CE2-CD1 3.84Å; F142-Y147 HydrophobicContact CE2-CD1 3.84Å; F142-Y147 AromaticContact CE2-CE1 3.78Å; F142-Y147 HydrophobicContact CE2-CE1 3.78Å; F142-Y147 HydrophobicContact CG-CE1 4.46Å; F142-Y147 HydrophobicContact CZ-CE1 4.2Å; G145-Y147 VanDerWaalsContact O-CD2 3.32Å; G145-Y147 WeakPolarHBondContact O-CD2 3.36Å; G145-Y147 WeakPolarHBondContact O-CE2 3.45Å; G145-Y147 PolarHBondContact O-N 3.34Å; Y147-A150 PolarHBondContact O-N 3.12Å; Y147-I151 WeakPolarHBondContact O-CD1 3.32Å; Y147-I151 VanDerWaalsContact O-CG1 3.26Å; Y147-I151 WeakPolarHBondContact O-CG1 3.36Å; Y147-I151 PolarHBondContact O-N 3.46Å; Y147-R177 HydrophobicContact CD1-CB 3.94Å; Y147-R177 HydrophobicContact CD1-CG 4.22Å; Y147-R177 HydrophobicContact CD2-CB 4.07Å; Y147-R177 HydrophobicContact CE1-CB 3.8Å; Y147-R177 HydrophobicContact CE1-CG 3.74Å; Y147-R177 HydrophobicContact CE2-CB 3.93Å; Y147-R177 HydrophobicContact CG-CB 4.08Å; Y147-L178 HydrophobicContact CD2-CD2 4.15Å; Y147-L178 HydrophobicContact CG-CD2 4.5Å |
| 148 | D | 94.9 | Very high | 95.4 | Very high | 96 Ų | 96 | 60.4 Ų | 60.4 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.3 | -44.9 | 179.9 | -64.3 | -60.5 | 0 | 0 | 0 | 111.7 | A150 I151 E152 L178 | D148-A150 VanDerWaalsContact C-N 3.31Å; D148-A150 PolarHBondContact O-N 2.98Å; D148-I151 WeakPolarHBondContact O-CB 3.38Å; D148-I151 PolarHBondContact O-N 3.2Å; D148-E152 PolarHBondContact O-N 3.15Å; D148-L178 VanDerWaalsContact OD1-CD1 3.27Å; D148-L178 WeakPolarHBondContact OD1-CD1 3.47Å |
| 149 | E | 94.9 | Very high | 95.3 | Very high | 93 Ų | 93 | 64.5 Ų | 64.5 | 44% | 0.435 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.1 | -36.2 | 174.7 | -64.2 | 176.4 | -151.6 | 0 | 0 | 111.9 | L141 K146 E152 C153 | L141-E149 HydrophobicContact CD1-CB 4Å; K146-E149 HydrophobicContact CB-CB 4.43Å; K146-E149 IonicContact NZ-OE2 2.8Å; E149-E152 PolarHBondContact O-N 3.44Å; E149-C153 PolarHBondContact O-N 3.12Å; E149-C153 VanDerWaalsContact O-N 3.16Å; E149-C153 PolarHBondContact O-SG 3.13Å |
| 150 | A | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L141 F142 K146 Y147 D148 E152 C153 Y154 | L141-A150 HydrophobicContact CB-CB 3.99Å; F142-A150 HydrophobicContact CB-CB 4.4Å; K146-A150 WeakPolarHBondContact O-CB 3.5Å; K146-A150 PolarHBondContact O-N 3.19Å; K146-A150 VanDerWaalsContact O-N 3.17Å; Y147-A150 PolarHBondContact O-N 3.12Å; D148-A150 VanDerWaalsContact C-N 3.31Å; D148-A150 PolarHBondContact O-N 2.98Å; A150-E152 VanDerWaalsContact C-N 3.32Å; A150-E152 PolarHBondContact O-N 3.36Å; A150-C153 PolarHBondContact O-N 3.19Å; A150-Y154 HydrophobicContact CB-CD2 4.48Å; A150-Y154 HydrophobicContact CB-CE2 3.97Å; A150-Y154 WeakPolarHBondContact O-CD2 3.37Å; A150-Y154 PolarHBondContact O-N 3.36Å |
| 151 | I | 96.5 | Very high | 94.7 | Very high | 19 Ų | 19 | 58.4 Ų | 58.4 | 10% | 0.097 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 176.8 | -72.6 | 158.1 | 0 | 0 | 0 | 111.3 | Y147 D148 Y154 T155 R171 F175 L178 | Y147-I151 WeakPolarHBondContact O-CD1 3.32Å; Y147-I151 VanDerWaalsContact O-CG1 3.26Å; Y147-I151 WeakPolarHBondContact O-CG1 3.36Å; Y147-I151 PolarHBondContact O-N 3.46Å; D148-I151 WeakPolarHBondContact O-CB 3.38Å; D148-I151 PolarHBondContact O-N 3.2Å; I151-Y154 PolarHBondContact O-N 3.08Å; I151-T155 WeakPolarHBondContact O-CB 3.39Å; I151-T155 PolarHBondContact O-N 3.15Å; I151-T155 PolarHBondContact O-OG1 3.13Å; I151-R171 HydrophobicContact CB-CG 4.42Å; I151-R171 HydrophobicContact CG1-CG 4.21Å; I151-R171 HydrophobicContact CG2-CG 4.06Å; I151-F175 HydrophobicContact CD1-CD1 3.62Å; I151-F175 HydrophobicContact CD1-CE1 3.51Å; I151-F175 HydrophobicContact CD1-CG 4.18Å; I151-F175 HydrophobicContact CD1-CZ 3.98Å; I151-F175 HydrophobicContact CG1-CD1 4.5Å; I151-F175 HydrophobicContact CG1-CE1 4.27Å; I151-F175 HydrophobicContact CG1-CE2 4.47Å; I151-F175 HydrophobicContact CG1-CZ 4.25Å; I151-F175 HydrophobicContact CG2-CE1 4.17Å; I151-F175 HydrophobicContact CG2-CE2 4.14Å; I151-F175 HydrophobicContact CG2-CZ 3.61Å; I151-L178 HydrophobicContact CD1-CD1 3.57Å |
| 152 | E | 95.6 | Very high | 94.4 | Very high | 119 Ų | 119 | 60.6 Ų | 60.6 | 56% | 0.556 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.9 | -43.4 | 175.7 | -66.5 | -176.4 | -179.1 | 0 | 0 | 111.8 | D148 E149 A150 T155 R156 | D148-E152 PolarHBondContact O-N 3.15Å; E149-E152 PolarHBondContact O-N 3.44Å; A150-E152 VanDerWaalsContact C-N 3.32Å; A150-E152 PolarHBondContact O-N 3.36Å; E152-T155 PolarHBondContact O-N 3.47Å; E152-R156 WeakPolarHBondContact O-CG 3.31Å; E152-R156 PolarHBondContact O-N 3.13Å; E152-R156 IonicContact OE2-NH1 2.75Å |
| 153 | C | 95.4 | Very high | 94.1 | Very high | 6 Ų | 6 | 66.6 Ų | 66.6 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.3 | -46.2 | 176 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | L141 E149 A150 T155 R156 G157 | L141-C153 WeakPolarHBondContact CD1-SG 3.48Å; E149-C153 PolarHBondContact O-N 3.12Å; E149-C153 VanDerWaalsContact O-N 3.16Å; E149-C153 PolarHBondContact O-SG 3.13Å; A150-C153 PolarHBondContact O-N 3.19Å; C153-T155 VanDerWaalsContact C-N 3.3Å; C153-T155 PolarHBondContact O-N 3.11Å; C153-R156 PolarHBondContact O-N 3.34Å; C153-R156 PolarHBondContact SG-NH2 2.91Å; C153-G157 PolarHBondContact O-N 2.78Å |
| 154 | Y | 96.5 | Very high | 93.9 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.4 | -37 | 175.9 | -62.7 | -49.8 | 0 | 0 | 0 | 112.2 | G138 N139 A150 I151 G157 M158 L167 N170 R171 S174 | G138-Y154 PolarHBondContact O-OH 2.91Å; N139-Y154 WeakPolarHBondContact CA-OH 3.49Å; N139-Y154 PolarHBondContact N-OH 3.04Å; N139-Y154 PolarHBondContact OD1-OH 3.49Å; A150-Y154 HydrophobicContact CB-CD2 4.48Å; A150-Y154 HydrophobicContact CB-CE2 3.97Å; A150-Y154 WeakPolarHBondContact O-CD2 3.37Å; A150-Y154 PolarHBondContact O-N 3.36Å; I151-Y154 PolarHBondContact O-N 3.08Å; Y154-G157 PolarHBondContact O-N 3.22Å; Y154-M158 VanDerWaalsContact O-CG 3.28Å; Y154-M158 WeakPolarHBondContact O-CG 3.33Å; Y154-M158 PolarHBondContact O-N 3.16Å; Y154-L167 HydrophobicContact CD1-CD2 4.13Å; Y154-N170 HydrophobicContact CD1-CB 4.06Å; Y154-N170 HydrophobicContact CD2-CB 4.41Å; Y154-N170 HydrophobicContact CE1-CB 3.66Å; Y154-N170 HydrophobicContact CE2-CB 4.05Å; Y154-N170 HydrophobicContact CG-CB 4.43Å; Y154-R171 HydrophobicContact CD2-CB 4.18Å; Y154-R171 HydrophobicContact CG-CB 4.34Å; Y154-S174 WeakPolarHBondContact CE2-OG 3.32Å |
| 155 | T | 96.1 | Very high | 93.8 | Very high | 61 Ų | 61 | 54.2 Ų | 54.2 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.2 | -40 | 177 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | I151 E152 C153 G157 M158 A159 R171 | I151-T155 WeakPolarHBondContact O-CB 3.39Å; I151-T155 PolarHBondContact O-N 3.15Å; I151-T155 PolarHBondContact O-OG1 3.13Å; E152-T155 PolarHBondContact O-N 3.47Å; C153-T155 VanDerWaalsContact C-N 3.3Å; C153-T155 PolarHBondContact O-N 3.11Å; T155-G157 VanDerWaalsContact C-N 3.33Å; T155-M158 PolarHBondContact O-N 2.85Å; T155-A159 PolarHBondContact O-N 3.5Å; T155-A159 VanDerWaalsContact O-N 3.1Å; T155-R171 WeakPolarHBondContact OG1-CD 3.16Å; T155-R171 PolarHBondContact OG1-NH1 3.01Å |
| 156 | R | 94.1 | Very high | 93.8 | Very high | 103 Ų | 103 | 54.6 Ų | 54.6 | 39% | 0.389 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 170.4 | -71.9 | -167 | -62.3 | -92.4 | -0.6 | 111.9 | E134 E152 C153 A159 A160 | E134-R156 HydrophobicContact CG-CB 4.33Å; E134-R156 IonicContact OE1-NE 3.01Å; E134-R156 PolarHBondContact OE1-NE 3.33Å; E134-R156 IonicContact OE2-CZ 3.22Å; E134-R156 IonicContact OE2-NE 2.65Å; E134-R156 PolarHBondContact OE2-NE 3Å; E134-R156 IonicContact OE2-NH2 4Å; E134-R156 PolarHBondContact OE2-NH2 3.03Å; E152-R156 WeakPolarHBondContact O-CG 3.31Å; E152-R156 PolarHBondContact O-N 3.13Å; E152-R156 IonicContact OE2-NH1 2.75Å; C153-R156 PolarHBondContact O-N 3.34Å; C153-R156 PolarHBondContact SG-NH2 2.91Å; R156-A159 PolarHBondContact O-N 2.99Å; R156-A160 PolarHBondContact O-N 2.93Å |
| 157 | G | 93.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | C153 Y154 T155 A159 A160 D161 L167 | C153-G157 PolarHBondContact O-N 2.78Å; Y154-G157 PolarHBondContact O-N 3.22Å; T155-G157 VanDerWaalsContact C-N 3.33Å; G157-A159 VanDerWaalsContact C-N 3.28Å; G157-A159 PolarHBondContact O-N 3.2Å; G157-A160 PolarHBondContact O-N 3.4Å; G157-A160 VanDerWaalsContact O-N 3.1Å; G157-D161 PolarHBondContact O-N 3.06Å; G157-L167 VanDerWaalsContact C-CD1 3.44Å; G157-L167 WeakPolarHBondContact O-CD1 3.01Å |
| 158 | M | 93.1 | Very high | 93.8 | Very high | 31 Ų | 31 | 47 Ų | 47 | 15% | 0.153 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.4 | -30.6 | 178 | -70.3 | 171.6 | 65.4 | 0 | 0 | 112.5 | Y154 T155 A160 D161 P162 L167 P168 R171 L190 | Y154-M158 VanDerWaalsContact O-CG 3.28Å; Y154-M158 WeakPolarHBondContact O-CG 3.33Å; Y154-M158 PolarHBondContact O-N 3.16Å; T155-M158 PolarHBondContact O-N 2.85Å; M158-A160 VanDerWaalsContact C-N 3.32Å; M158-D161 CarbonylContact O-C 3.49Å; M158-P162 WeakPolarHBondContact O-CA 3.36Å; M158-L167 HydrophobicContact CG-CB 3.65Å; M158-L167 HydrophobicContact CG-CD1 4.32Å; M158-P168 HydrophobicContact CE-CB 3.99Å; M158-P168 HydrophobicContact SD-CB 4.18Å; M158-R171 PolarHBondContact SD-NH1 3.32Å; M158-L190 HydrophobicContact CE-CD2 3.53Å |
| 159 | A | 91.4 | Very high | 93.9 | Very high | 85 Ų | 85 | 42.5 Ų | 42.5 | 70% | 0.702 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -72.1 | -27 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T155 R156 G157 | T155-A159 PolarHBondContact O-N 3.5Å; T155-A159 VanDerWaalsContact O-N 3.1Å; R156-A159 PolarHBondContact O-N 2.99Å; G157-A159 VanDerWaalsContact C-N 3.28Å; G157-A159 PolarHBondContact O-N 3.2Å |
| 160 | A | 90.6 | Very high | 93.9 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 12% | 0.116 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -83.6 | -37.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V126 D127 R130 A131 R156 G157 M158 | V126-A160 WeakPolarHBondContact CG1-O 3.39Å; D127-A160 PolarHBondContact N-O 2.97Å; R130-A160 HydrophobicContact CB-CB 4.43Å; R130-A160 HydrophobicContact CG-CB 4.24Å; A131-A160 HydrophobicContact CB-CB 4.04Å; R156-A160 PolarHBondContact O-N 2.93Å; G157-A160 PolarHBondContact O-N 3.4Å; G157-A160 VanDerWaalsContact O-N 3.1Å; M158-A160 VanDerWaalsContact C-N 3.32Å |
| 161 | D | 90.4 | Very high | 93.9 | Very high | 18 Ų | 18 | 41.4 Ų | 41.4 | 10% | 0.096 | 22% | 0.218 | C | C | . | . | trans | -132.9 | 91.4 | 173.3 | -175.1 | 1.6 | 0 | 0 | 0 | 111.7 | V126 A131 G157 M158 Y163 N164 | V126-D161 HydrophobicContact CG1-CB 3.77Å; V126-D161 WeakPolarHBondContact CG1-OD1 3.07Å; A131-D161 HydrophobicContact CB-CB 3.38Å; G157-D161 PolarHBondContact O-N 3.06Å; M158-D161 CarbonylContact O-C 3.49Å; D161-Y163 PolarHBondContact O-N 3.27Å; D161-Y163 PolarHBondContact OD1-N 2.86Å; D161-Y163 VanDerWaalsContact OD1-N 3.1Å; D161-N164 HydrophobicContact CB-CB 4.42Å; D161-N164 WeakPolarHBondContact OD2-CB 3.48Å | ||
| 162 | P | 90.1 | Very high | 93.9 | Very high | 73 Ų | 73 | 40.6 Ų | 40.6 | 47% | 0.474 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -16.9 | 178.5 | -23.7 | 35.4 | 0 | 0 | 0 | 114.7 | M158 | M158-P162 WeakPolarHBondContact O-CA 3.36Š|
| 163 | Y | 90.3 | Very high | 93.9 | Very high | 173 Ų | 173 | 35.8 Ų | 35.8 | 68% | 0.678 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -7.4 | -171.5 | -58.7 | -75.4 | 0 | 0 | 0 | 113.4 | V126 D161 P165 | V126-Y163 HydrophobicContact CG2-CD2 4.25Å; V126-Y163 HydrophobicContact CG2-CE2 4.11Å; D161-Y163 PolarHBondContact O-N 3.27Å; D161-Y163 PolarHBondContact OD1-N 2.86Å; D161-Y163 VanDerWaalsContact OD1-N 3.1Å; Y163-P165 WeakPolarHBondContact O-CD 3.43Å |
| 164 | N | 90.8 | Very high | 94 | Very high | 28 Ų | 28 | 35.5 Ų | 35.5 | 15% | 0.15 | 19% | 0.19 | C | C | . | . | trans | -85.2 | 115.4 | -175.6 | -176.1 | -16.5 | 0 | 0 | 0 | 112.7 | D161 V166 L167 P168 | D161-N164 HydrophobicContact CB-CB 4.42Å; D161-N164 WeakPolarHBondContact OD2-CB 3.48Å; N164-V166 VanDerWaalsContact C-N 3.28Å; N164-V166 PolarHBondContact O-N 3.08Å; N164-V166 VanDerWaalsContact OD1-CB 3.22Å; N164-V166 WeakPolarHBondContact OD1-CB 3.4Å; N164-V166 WeakPolarHBondContact OD1-CG2 3.4Å; N164-V166 PolarHBondContact OD1-N 3.48Å; N164-L167 HydrophobicContact CB-CD1 4.16Å; N164-P168 WeakPolarHBondContact O-CD 3.38Å | ||
| 165 | P | 93.3 | Very high | 94 | Very high | 20 Ų | 20 | 36.6 Ų | 36.6 | 13% | 0.13 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -72.4 | -15.8 | -179.1 | 30.8 | -37.7 | 0 | 0 | 0 | 114.2 | Y163 P168 T169 A191 L194 D195 Y198 | Y163-P165 WeakPolarHBondContact O-CD 3.43Å; P165-P168 WeakPolarHBondContact O-CG 3.4Å; P165-T169 PolarHBondContact O-N 2.91Å; P165-T169 PolarHBondContact O-OG1 2.99Å; P165-A191 HydrophobicContact CB-CB 4.5Å; P165-L194 HydrophobicContact CB-CB 4.12Å; P165-D195 HydrophobicContact CB-CB 3.92Å; P165-D195 HydrophobicContact CG-CB 3.74Å; P165-Y198 HydrophobicContact CB-CD1 4.21Å |
| 166 | V | 94.4 | Very high | 94 | Very high | 43 Ų | 43 | 36.9 Ų | 36.9 | 26% | 0.261 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -72.6 | -40.7 | -177.1 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | K135 N164 T169 N170 | K135-V166 HydrophobicContact CD-CG1 4.46Å; N164-V166 VanDerWaalsContact C-N 3.28Å; N164-V166 PolarHBondContact O-N 3.08Å; N164-V166 VanDerWaalsContact OD1-CB 3.22Å; N164-V166 WeakPolarHBondContact OD1-CB 3.4Å; N164-V166 WeakPolarHBondContact OD1-CG2 3.4Å; N164-V166 PolarHBondContact OD1-N 3.48Å; V166-T169 PolarHBondContact O-N 3.33Å; V166-N170 PolarHBondContact O-N 3.1Å |
| 167 | L | 94.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.1 | -53.7 | -179.5 | -74.9 | 167.5 | 0 | 0 | 0 | 113.5 | A131 K135 Y154 G157 M158 N164 T169 N170 R171 | A131-L167 HydrophobicContact CB-CD1 4.39Å; K135-L167 HydrophobicContact CB-CD2 3.74Å; K135-L167 HydrophobicContact CG-CD2 4.03Å; Y154-L167 HydrophobicContact CD1-CD2 4.13Å; G157-L167 VanDerWaalsContact C-CD1 3.44Å; G157-L167 WeakPolarHBondContact O-CD1 3.01Å; M158-L167 HydrophobicContact CG-CB 3.65Å; M158-L167 HydrophobicContact CG-CD1 4.32Å; N164-L167 HydrophobicContact CB-CD1 4.16Å; L167-T169 VanDerWaalsContact C-N 3.25Å; L167-T169 PolarHBondContact O-N 2.83Å; L167-N170 PolarHBondContact O-N 3.11Å; L167-R171 PolarHBondContact O-N 3.15Å |
| 168 | P | 96.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.5 | -32.9 | 175.9 | 22.2 | -30.9 | 0 | 0 | 0 | 112.1 | M158 N164 P165 R171 A172 L190 A191 L194 | M158-P168 HydrophobicContact CE-CB 3.99Å; M158-P168 HydrophobicContact SD-CB 4.18Å; N164-P168 WeakPolarHBondContact O-CD 3.38Å; P165-P168 WeakPolarHBondContact O-CG 3.4Å; P168-R171 PolarHBondContact O-N 3.32Å; P168-A172 WeakPolarHBondContact O-CB 3.25Å; P168-A172 PolarHBondContact O-N 3.45Å; P168-L190 HydrophobicContact CB-CD2 4.24Å; P168-A191 HydrophobicContact CB-CB 4.41Å; P168-A191 HydrophobicContact CG-CB 3.96Å; P168-L194 HydrophobicContact CG-CD1 4.25Å |
| 169 | T | 96.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.6 | -39 | 176.5 | -56.5 | 0 | 0 | 0 | 0 | 112.9 | P165 V166 L167 A172 T173 A191 Y198 R204 | P165-T169 PolarHBondContact O-N 2.91Å; P165-T169 PolarHBondContact O-OG1 2.99Å; V166-T169 PolarHBondContact O-N 3.33Å; L167-T169 VanDerWaalsContact C-N 3.25Å; L167-T169 PolarHBondContact O-N 2.83Å; T169-A172 PolarHBondContact O-N 3.18Å; T169-T173 PolarHBondContact O-N 2.96Å; T169-T173 VanDerWaalsContact O-N 3.08Å; T169-T173 PolarHBondContact O-OG1 3.34Å; T169-A191 VanDerWaalsContact OG1-CB 3.27Å; T169-A191 WeakPolarHBondContact OG1-CB 3.4Å; T169-Y198 HydrophobicContact CG2-CE1 3.98Å; T169-Y198 WeakPolarHBondContact OG1-CE1 3.43Å; T169-R204 HydrophobicContact CG2-CG 3.96Å |
| 170 | N | 95.7 | Very high | 94.5 | Very high | 32 Ų | 32 | 48.2 Ų | 48.2 | 17% | 0.171 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.1 | -37.1 | 175.1 | -73.2 | 0.3 | 0 | 0 | 0 | 111.7 | N139 Y154 V166 L167 T173 S174 | N139-N170 PolarHBondContact OD1-ND2 3.49Å; Y154-N170 HydrophobicContact CD1-CB 4.06Å; Y154-N170 HydrophobicContact CD2-CB 4.41Å; Y154-N170 HydrophobicContact CE1-CB 3.66Å; Y154-N170 HydrophobicContact CE2-CB 4.05Å; Y154-N170 HydrophobicContact CG-CB 4.43Å; V166-N170 PolarHBondContact O-N 3.1Å; L167-N170 PolarHBondContact O-N 3.11Å; N170-T173 WeakPolarHBondContact O-CB 3.48Å; N170-T173 PolarHBondContact O-N 3.39Å; N170-S174 PolarHBondContact O-N 3.42Å; N170-S174 VanDerWaalsContact O-N 3.14Å; N170-S174 PolarHBondContact O-OG 2.97Å; N170-S174 VanDerWaalsContact O-OG 3.09Å |
| 171 | R | 96.7 | Very high | 94.7 | Very high | 38 Ų | 38 | 50.4 Ų | 50.4 | 14% | 0.143 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.6 | -45 | 172.4 | -163.6 | 173.7 | 71.7 | -178.6 | -3.6 | 111.7 | I151 Y154 T155 M158 L167 P168 T173 S174 F175 D187 | I151-R171 HydrophobicContact CB-CG 4.42Å; I151-R171 HydrophobicContact CG1-CG 4.21Å; I151-R171 HydrophobicContact CG2-CG 4.06Å; Y154-R171 HydrophobicContact CD2-CB 4.18Å; Y154-R171 HydrophobicContact CG-CB 4.34Å; T155-R171 WeakPolarHBondContact OG1-CD 3.16Å; T155-R171 PolarHBondContact OG1-NH1 3.01Å; M158-R171 PolarHBondContact SD-NH1 3.32Å; L167-R171 PolarHBondContact O-N 3.15Å; P168-R171 PolarHBondContact O-N 3.32Å; R171-T173 VanDerWaalsContact C-N 3.25Å; R171-T173 PolarHBondContact O-N 3.08Å; R171-S174 WeakPolarHBondContact O-CA 3.38Å; R171-S174 WeakPolarHBondContact O-CB 3.38Å; R171-S174 PolarHBondContact O-N 3.31Å; R171-F175 HydrophobicContact CG-CD2 4.08Å; R171-F175 HydrophobicContact CG-CE2 3.7Å; R171-F175 WeakPolarHBondContact O-CD2 3.36Å; R171-F175 PolarHBondContact O-N 3.18Å; R171-D187 IonicContact CZ-OD1 3.63Å; R171-D187 IonicContact CZ-OD2 3.93Å; R171-D187 IonicContact NE-OD1 3.93Å; R171-D187 IonicContact NE-OD2 3.05Å; R171-D187 PolarHBondContact NE-OD2 3.39Å; R171-D187 IonicContact NH2-OD1 3.48Å; R171-D187 PolarHBondContact NH2-OD1 3.21Å; R171-D187 IonicContact NH2-OD2 3.95Å |
| 172 | A | 96.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.7 | -39.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P168 T169 S174 F175 F176 A184 D187 C188 | P168-A172 WeakPolarHBondContact O-CB 3.25Å; P168-A172 PolarHBondContact O-N 3.45Å; T169-A172 PolarHBondContact O-N 3.18Å; A172-S174 VanDerWaalsContact C-N 3.31Å; A172-S174 PolarHBondContact O-N 3.41Å; A172-F175 PolarHBondContact O-N 3.48Å; A172-F176 WeakPolarHBondContact O-CB 3.07Å; A172-F176 PolarHBondContact O-N 3.03Å; A172-A184 HydrophobicContact CB-CB 4.29Å; A172-A184 WeakPolarHBondContact O-CB 3.36Å; A172-D187 HydrophobicContact CB-CB 3.75Å; A172-C188 VanDerWaalsContact CB-SG 3.53Å |
| 173 | T | 95.9 | Very high | 95.1 | Very high | 17 Ų | 17 | 52 Ų | 52 | 10% | 0.104 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.9 | -36.5 | 176.9 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | F142 T169 N170 R171 F176 R177 R204 | F142-T173 HydrophobicContact CE2-CG2 3.92Å; F142-T173 HydrophobicContact CZ-CG2 3.67Å; T169-T173 PolarHBondContact O-N 2.96Å; T169-T173 VanDerWaalsContact O-N 3.08Å; T169-T173 PolarHBondContact O-OG1 3.34Å; N170-T173 WeakPolarHBondContact O-CB 3.48Å; N170-T173 PolarHBondContact O-N 3.39Å; R171-T173 VanDerWaalsContact C-N 3.25Å; R171-T173 PolarHBondContact O-N 3.08Å; T173-F176 WeakPolarHBondContact O-CB 3.17Å; T173-F176 PolarHBondContact O-N 2.89Å; T173-R177 WeakPolarHBondContact O-CG 3.32Å; T173-R177 PolarHBondContact O-N 2.9Å; T173-R177 VanDerWaalsContact O-N 3.12Å; T173-R204 PolarHBondContact OG1-NE 3.19Å |
| 174 | S | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.8 | -44.6 | 174.7 | -52.4 | 0 | 0 | 0 | 0 | 111.3 | F142 Y154 N170 R171 A172 F176 R177 L178 | F142-S174 WeakPolarHBondContact CD2-OG 3.16Å; Y154-S174 WeakPolarHBondContact CE2-OG 3.32Å; N170-S174 PolarHBondContact O-N 3.42Å; N170-S174 VanDerWaalsContact O-N 3.14Å; N170-S174 PolarHBondContact O-OG 2.97Å; N170-S174 VanDerWaalsContact O-OG 3.09Å; R171-S174 WeakPolarHBondContact O-CA 3.38Å; R171-S174 WeakPolarHBondContact O-CB 3.38Å; R171-S174 PolarHBondContact O-N 3.31Å; A172-S174 VanDerWaalsContact C-N 3.31Å; A172-S174 PolarHBondContact O-N 3.41Å; S174-F176 VanDerWaalsContact C-N 3.31Å; S174-F176 PolarHBondContact O-N 3.47Å; S174-R177 PolarHBondContact O-N 3.33Å; S174-L178 PolarHBondContact O-N 3.1Å; S174-L178 VanDerWaalsContact O-N 3.15Å |
| 175 | F | 97.3 | Very high | 95.7 | Very high | 26 Ų | 26 | 43.6 Ų | 43.6 | 11% | 0.114 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -36.1 | 173.5 | -75.8 | -54.9 | 0 | 0 | 0 | 113.3 | I151 R171 A172 R177 L178 K179 K180 V183 A184 D187 | I151-F175 HydrophobicContact CD1-CD1 3.62Å; I151-F175 HydrophobicContact CD1-CE1 3.51Å; I151-F175 HydrophobicContact CD1-CG 4.18Å; I151-F175 HydrophobicContact CD1-CZ 3.98Å; I151-F175 HydrophobicContact CG1-CD1 4.5Å; I151-F175 HydrophobicContact CG1-CE1 4.27Å; I151-F175 HydrophobicContact CG1-CE2 4.47Å; I151-F175 HydrophobicContact CG1-CZ 4.25Å; I151-F175 HydrophobicContact CG2-CE1 4.17Å; I151-F175 HydrophobicContact CG2-CE2 4.14Å; I151-F175 HydrophobicContact CG2-CZ 3.61Å; R171-F175 HydrophobicContact CG-CD2 4.08Å; R171-F175 HydrophobicContact CG-CE2 3.7Å; R171-F175 WeakPolarHBondContact O-CD2 3.36Å; R171-F175 PolarHBondContact O-N 3.18Å; A172-F175 PolarHBondContact O-N 3.48Å; F175-R177 VanDerWaalsContact C-N 3.34Å; F175-L178 CarbonylContact O-C 3.46Å; F175-L178 PolarHBondContact O-N 3Å; F175-L178 VanDerWaalsContact O-N 3.16Å; F175-K179 PolarHBondContact O-N 2.99Å; F175-K180 HydrophobicContact CB-CB 4.33Å; F175-K180 HydrophobicContact CD1-CB 4.21Å; F175-K180 HydrophobicContact CD1-CD 3.98Å; F175-K180 HydrophobicContact CE1-CD 4.34Å; F175-K180 PolarHBondContact O-N 2.9Å; F175-V183 HydrophobicContact CD1-CG1 4.31Å; F175-V183 HydrophobicContact CD2-CB 4.43Å; F175-V183 HydrophobicContact CD2-CG1 3.74Å; F175-V183 HydrophobicContact CE1-CG1 4.2Å; F175-V183 HydrophobicContact CE2-CG1 3.6Å; F175-V183 HydrophobicContact CG-CB 4.38Å; F175-V183 HydrophobicContact CG-CG1 4.1Å; F175-V183 HydrophobicContact CZ-CG1 3.85Å; F175-A184 HydrophobicContact CB-CB 4.06Å; F175-D187 WeakPolarHBondContact CD2-OD2 3.44Å; F175-D187 WeakPolarHBondContact CE2-OD2 3.41Å |
| 176 | F | 96.6 | Very high | 95.8 | Very high | 67 Ų | 67 | 45.6 Ų | 45.6 | 29% | 0.294 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62 | -42.1 | 175 | -171.6 | -87.4 | 0 | 0 | 0 | 111.4 | A172 T173 S174 L178 K179 Y181 A207 A208 A211 | A172-F176 WeakPolarHBondContact O-CB 3.07Å; A172-F176 PolarHBondContact O-N 3.03Å; T173-F176 WeakPolarHBondContact O-CB 3.17Å; T173-F176 PolarHBondContact O-N 2.89Å; S174-F176 VanDerWaalsContact C-N 3.31Å; S174-F176 PolarHBondContact O-N 3.47Å; F176-L178 VanDerWaalsContact C-N 3.27Å; F176-L178 PolarHBondContact O-N 2.78Å; F176-K179 PolarHBondContact O-N 2.84Å; F176-Y181 AromaticContact CD2-CD1 3.68Å; F176-Y181 HydrophobicContact CD2-CD1 3.68Å; F176-Y181 AromaticContact CD2-CE1 3.9Å; F176-Y181 HydrophobicContact CD2-CE1 3.9Å; F176-Y181 AromaticContact CE2-CD1 3.8Å; F176-Y181 HydrophobicContact CE2-CD1 3.8Å; F176-Y181 AromaticContact CE2-CE1 3.8Å; F176-Y181 HydrophobicContact CE2-CE1 3.8Å; F176-Y181 HydrophobicContact CG-CD1 4.39Å; F176-Y181 HydrophobicContact CG-CE1 4.33Å; F176-Y181 HydrophobicContact CZ-CE1 4.16Å; F176-A207 HydrophobicContact CE2-CB 4.1Å; F176-A207 HydrophobicContact CZ-CB 4.34Å; F176-A208 HydrophobicContact CD2-CB 4.34Å; F176-A211 HydrophobicContact CE2-CB 4.3Å |
| 177 | R | 96.2 | Very high | 95.9 | Very high | 150 Ų | 150 | 44 Ų | 44 | 57% | 0.566 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -63.4 | -33 | 174 | -66.9 | -64.3 | -175.5 | -173.2 | 0.4 | 112.7 | F142 Y147 T173 S174 F175 K179 | F142-R177 HydrophobicContact CE2-CG 4.02Å; F142-R177 HydrophobicContact CZ-CG 4.01Å; Y147-R177 HydrophobicContact CD1-CB 3.94Å; Y147-R177 HydrophobicContact CD1-CG 4.22Å; Y147-R177 HydrophobicContact CD2-CB 4.07Å; Y147-R177 HydrophobicContact CE1-CB 3.8Å; Y147-R177 HydrophobicContact CE1-CG 3.74Å; Y147-R177 HydrophobicContact CE2-CB 3.93Å; Y147-R177 HydrophobicContact CG-CB 4.08Å; T173-R177 WeakPolarHBondContact O-CG 3.32Å; T173-R177 PolarHBondContact O-N 2.9Å; T173-R177 VanDerWaalsContact O-N 3.12Å; S174-R177 PolarHBondContact O-N 3.33Å; F175-R177 VanDerWaalsContact C-N 3.34Å; R177-K179 PolarHBondContact O-N 3.21Å |
| 178 | L | 95.3 | Very high | 96 | Very high | 49 Ų | 49 | 44 Ų | 44 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 5.1 | 173.5 | -65.5 | 174.9 | 0 | 0 | 0 | 114.1 | Y147 D148 I151 S174 F175 F176 K180 | Y147-L178 HydrophobicContact CD2-CD2 4.15Å; Y147-L178 HydrophobicContact CG-CD2 4.5Å; D148-L178 VanDerWaalsContact OD1-CD1 3.27Å; D148-L178 WeakPolarHBondContact OD1-CD1 3.47Å; I151-L178 HydrophobicContact CD1-CD1 3.57Å; S174-L178 PolarHBondContact O-N 3.1Å; S174-L178 VanDerWaalsContact O-N 3.15Å; F175-L178 CarbonylContact O-C 3.46Å; F175-L178 PolarHBondContact O-N 3Å; F175-L178 VanDerWaalsContact O-N 3.16Å; F176-L178 VanDerWaalsContact C-N 3.27Å; F176-L178 PolarHBondContact O-N 2.78Å; L178-K180 HydrophobicContact CB-CD 4.47Å; L178-K180 HydrophobicContact CB-CG 4.39Å; L178-K180 PolarHBondContact O-N 3.46Å |
| 179 | K | 94.8 | Very high | 96 | Very high | 155 Ų | 155 | 46.9 Ų | 46.9 | 67% | 0.674 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 18.3 | -176.1 | -52.6 | -177.5 | 178.1 | 178.9 | 0 | 114.8 | F175 F176 R177 Y181 | F175-K179 PolarHBondContact O-N 2.99Å; F176-K179 PolarHBondContact O-N 2.84Å; R177-K179 PolarHBondContact O-N 3.21Å; K179-Y181 VanDerWaalsContact C-N 3.3Å; K179-Y181 HydrophobicContact CB-CE1 4.47Å; K179-Y181 HydrophobicContact CB-CE2 4.09Å; K179-Y181 WeakPolarHBondContact O-CD2 3.16Å; K179-Y181 PolarHBondContact O-N 2.88Å; K179-Y181 VanDerWaalsContact O-N 3.15Å |
| 180 | K | 95.2 | Very high | 96 | Very high | 103 Ų | 103 | 50.2 Ų | 50.2 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | trans | -88.2 | 66 | 175.7 | -67.1 | 178.3 | -179 | 171.2 | 0 | 110 | F175 L178 A182 V183 A184 | F175-K180 HydrophobicContact CB-CB 4.33Å; F175-K180 HydrophobicContact CD1-CB 4.21Å; F175-K180 HydrophobicContact CD1-CD 3.98Å; F175-K180 HydrophobicContact CE1-CD 4.34Å; F175-K180 PolarHBondContact O-N 2.9Å; L178-K180 HydrophobicContact CB-CD 4.47Å; L178-K180 HydrophobicContact CB-CG 4.39Å; L178-K180 PolarHBondContact O-N 3.46Å; K180-A182 PolarHBondContact O-N 3.35Å; K180-V183 PolarHBondContact O-N 3.25Å; K180-A184 PolarHBondContact O-N 3.25Å | ||
| 181 | Y | 95.8 | Very high | 96 | Very high | 61 Ų | 61 | 48.7 Ų | 48.7 | 24% | 0.239 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.2 | -32.6 | -168.9 | -51.5 | -59.9 | 0 | 0 | 0 | 114.3 | F176 K179 A184 E185 A211 | F176-Y181 AromaticContact CD2-CD1 3.68Å; F176-Y181 HydrophobicContact CD2-CD1 3.68Å; F176-Y181 AromaticContact CD2-CE1 3.9Å; F176-Y181 HydrophobicContact CD2-CE1 3.9Å; F176-Y181 AromaticContact CE2-CD1 3.8Å; F176-Y181 HydrophobicContact CE2-CD1 3.8Å; F176-Y181 AromaticContact CE2-CE1 3.8Å; F176-Y181 HydrophobicContact CE2-CE1 3.8Å; F176-Y181 HydrophobicContact CG-CD1 4.39Å; F176-Y181 HydrophobicContact CG-CE1 4.33Å; F176-Y181 HydrophobicContact CZ-CE1 4.16Å; K179-Y181 VanDerWaalsContact C-N 3.3Å; K179-Y181 HydrophobicContact CB-CE1 4.47Å; K179-Y181 HydrophobicContact CB-CE2 4.09Å; K179-Y181 WeakPolarHBondContact O-CD2 3.16Å; K179-Y181 PolarHBondContact O-N 2.88Å; K179-Y181 VanDerWaalsContact O-N 3.15Å; Y181-A184 PolarHBondContact O-N 3.23Å; Y181-E185 PolarHBondContact O-N 2.91Å; Y181-A211 HydrophobicContact CD1-CB 3.65Å; Y181-A211 HydrophobicContact CD2-CB 3.81Å; Y181-A211 HydrophobicContact CE1-CB 3.67Å; Y181-A211 HydrophobicContact CE2-CB 3.82Å; Y181-A211 HydrophobicContact CG-CB 3.72Å |
| 182 | A | 94.7 | Very high | 96 | Very high | 65 Ų | 65 | 47.7 Ų | 47.7 | 54% | 0.537 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.9 | -41.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K180 A184 E185 S186 | K180-A182 PolarHBondContact O-N 3.35Å; A182-A184 VanDerWaalsContact C-N 3.35Å; A182-E185 WeakPolarHBondContact O-CB 3.27Å; A182-E185 PolarHBondContact O-N 2.99Å; A182-S186 PolarHBondContact O-N 3.31Å |
| 183 | V | 94.9 | Very high | 95.9 | Very high | 60 Ų | 60 | 51.7 Ų | 51.7 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.3 | -35.6 | 176.5 | -174.7 | 0 | 0 | 0 | 0 | 110.7 | F175 K180 E185 S186 D187 | F175-V183 HydrophobicContact CD1-CG1 4.31Å; F175-V183 HydrophobicContact CD2-CB 4.43Å; F175-V183 HydrophobicContact CD2-CG1 3.74Å; F175-V183 HydrophobicContact CE1-CG1 4.2Å; F175-V183 HydrophobicContact CE2-CG1 3.6Å; F175-V183 HydrophobicContact CG-CB 4.38Å; F175-V183 HydrophobicContact CG-CG1 4.1Å; F175-V183 HydrophobicContact CZ-CG1 3.85Å; K180-V183 PolarHBondContact O-N 3.25Å; V183-E185 VanDerWaalsContact C-N 3.34Å; V183-E185 PolarHBondContact O-N 3.3Å; V183-S186 WeakPolarHBondContact CA-OG 3.49Å; V183-S186 PolarHBondContact O-N 3.39Å; V183-S186 PolarHBondContact O-OG 3Å; V183-D187 PolarHBondContact O-N 3.03Å |
| 184 | A | 96.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.017 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A172 F175 K180 Y181 A182 D187 C188 A208 | A172-A184 HydrophobicContact CB-CB 4.29Å; A172-A184 WeakPolarHBondContact O-CB 3.36Å; F175-A184 HydrophobicContact CB-CB 4.06Å; K180-A184 PolarHBondContact O-N 3.25Å; Y181-A184 PolarHBondContact O-N 3.23Å; A182-A184 VanDerWaalsContact C-N 3.35Å; A184-D187 PolarHBondContact O-N 3.38Å; A184-C188 PolarHBondContact O-N 3.14Å; A184-C188 PolarHBondContact O-SG 3.44Å; A184-A208 HydrophobicContact CB-CB 4.28Å |
| 185 | E | 96.4 | Very high | 95.6 | Very high | 22 Ų | 22 | 56.3 Ų | 56.3 | 10% | 0.103 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 174.7 | -177 | 178.4 | -169.7 | 0 | 0 | 111.4 | Y181 A182 V183 C188 N189 R205 R209 K214 | Y181-E185 PolarHBondContact O-N 2.91Å; A182-E185 WeakPolarHBondContact O-CB 3.27Å; A182-E185 PolarHBondContact O-N 2.99Å; V183-E185 VanDerWaalsContact C-N 3.34Å; V183-E185 PolarHBondContact O-N 3.3Å; E185-C188 PolarHBondContact O-N 3.36Å; E185-N189 PolarHBondContact O-N 3.17Å; E185-N189 PolarHBondContact O-ND2 3.09Å; E185-R205 HydrophobicContact CG-CG 4.3Å; E185-R209 HydrophobicContact CG-CG 4.42Å; E185-R209 IonicContact OE1-CZ 3.46Å; E185-R209 IonicContact OE1-NE 2.73Å; E185-R209 PolarHBondContact OE1-NE 2.97Å; E185-R209 IonicContact OE1-NH2 3.57Å; E185-R209 PolarHBondContact OE1-NH2 3.17Å; E185-K214 IonicContact OE1-NZ 3.52Å; E185-K214 IonicContact OE2-NZ 3.18Å; E185-K214 PolarHBondContact OE2-NZ 3.11Å |
| 186 | S | 95.8 | Very high | 95.4 | Very high | 61 Ų | 61 | 60 Ų | 60 | 43% | 0.427 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 178 | 56 | 0 | 0 | 0 | 0 | 113.1 | A182 V183 C188 N189 L190 | A182-S186 PolarHBondContact O-N 3.31Å; V183-S186 WeakPolarHBondContact CA-OG 3.49Å; V183-S186 PolarHBondContact O-N 3.39Å; V183-S186 PolarHBondContact O-OG 3Å; S186-C188 VanDerWaalsContact C-N 3.33Å; S186-C188 PolarHBondContact O-N 3.02Å; S186-N189 WeakPolarHBondContact O-CB 3.47Å; S186-N189 PolarHBondContact O-N 2.88Å; S186-L190 PolarHBondContact O-N 3.36Å |
| 187 | D | 95.8 | Very high | 95.2 | Very high | 10 Ų | 10 | 60.6 Ų | 60.6 | 5% | 0.053 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.4 | -36.4 | 177 | -84 | -3.5 | 0 | 0 | 0 | 111.8 | R171 A172 F175 V183 A184 L190 A191 | R171-D187 IonicContact CZ-OD1 3.63Å; R171-D187 IonicContact CZ-OD2 3.93Å; R171-D187 IonicContact NE-OD1 3.93Å; R171-D187 IonicContact NE-OD2 3.05Å; R171-D187 PolarHBondContact NE-OD2 3.39Å; R171-D187 IonicContact NH2-OD1 3.48Å; R171-D187 PolarHBondContact NH2-OD1 3.21Å; R171-D187 IonicContact NH2-OD2 3.95Å; A172-D187 HydrophobicContact CB-CB 3.75Å; F175-D187 WeakPolarHBondContact CD2-OD2 3.44Å; F175-D187 WeakPolarHBondContact CE2-OD2 3.41Å; V183-D187 PolarHBondContact O-N 3.03Å; A184-D187 PolarHBondContact O-N 3.38Å; D187-L190 PolarHBondContact O-N 3.45Å; D187-A191 PolarHBondContact O-N 3.13Å |
| 188 | C | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69 | -35.1 | 173.8 | -62.2 | 0 | 0 | 0 | 0 | 112 | A172 A184 E185 S186 L190 A191 V192 R205 | A172-C188 VanDerWaalsContact CB-SG 3.53Å; A184-C188 PolarHBondContact O-N 3.14Å; A184-C188 PolarHBondContact O-SG 3.44Å; E185-C188 PolarHBondContact O-N 3.36Å; S186-C188 VanDerWaalsContact C-N 3.33Å; S186-C188 PolarHBondContact O-N 3.02Å; C188-L190 VanDerWaalsContact C-N 3.32Å; C188-A191 PolarHBondContact O-N 2.97Å; C188-V192 WeakPolarHBondContact O-CG2 3.42Å; C188-V192 PolarHBondContact O-N 3.37Å; C188-R205 HydrophobicContact CB-CB 3.64Å; C188-R205 HydrophobicContact CB-CG 4.04Å |
| 189 | N | 96.9 | Very high | 95 | Very high | 62 Ų | 62 | 56.5 Ų | 56.5 | 33% | 0.332 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 173.1 | -72.2 | -23.8 | 0 | 0 | 0 | 111.7 | E185 S186 V192 A193 R205 | E185-N189 PolarHBondContact O-N 3.17Å; E185-N189 PolarHBondContact O-ND2 3.09Å; S186-N189 WeakPolarHBondContact O-CB 3.47Å; S186-N189 PolarHBondContact O-N 2.88Å; N189-V192 PolarHBondContact O-N 3.47Å; N189-A193 WeakPolarHBondContact O-CB 3.3Å; N189-A193 PolarHBondContact O-N 3.17Å; N189-R205 WeakPolarHBondContact OD1-CD 3.42Å; N189-R205 PolarHBondContact OD1-NH1 3.23Å |
| 190 | L | 95.9 | Very high | 94.9 | Very high | 72 Ų | 72 | 53.9 Ų | 53.9 | 38% | 0.377 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 173.5 | 179.1 | 61.7 | 0 | 0 | 0 | 111.2 | M158 P168 S186 D187 C188 V192 A193 L194 | M158-L190 HydrophobicContact CE-CD2 3.53Å; P168-L190 HydrophobicContact CB-CD2 4.24Å; S186-L190 PolarHBondContact O-N 3.36Å; D187-L190 PolarHBondContact O-N 3.45Å; C188-L190 VanDerWaalsContact C-N 3.32Å; L190-V192 VanDerWaalsContact C-N 3.34Å; L190-V192 PolarHBondContact O-N 3.28Å; L190-A193 PolarHBondContact O-N 3.48Å; L190-L194 HydrophobicContact CG-CD1 4.48Å; L190-L194 WeakPolarHBondContact O-CG 3.45Å; L190-L194 PolarHBondContact O-N 3.23Å |
| 191 | A | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P165 P168 T169 D187 C188 L194 D195 A201 | P165-A191 HydrophobicContact CB-CB 4.5Å; P168-A191 HydrophobicContact CB-CB 4.41Å; P168-A191 HydrophobicContact CG-CB 3.96Å; T169-A191 VanDerWaalsContact OG1-CB 3.27Å; T169-A191 WeakPolarHBondContact OG1-CB 3.4Å; D187-A191 PolarHBondContact O-N 3.13Å; C188-A191 PolarHBondContact O-N 2.97Å; A191-L194 PolarHBondContact O-N 3.13Å; A191-D195 PolarHBondContact O-N 2.67Å; A191-A201 HydrophobicContact CB-CB 3.76Å |
| 192 | V | 95.6 | Very high | 95 | Very high | 18 Ų | 18 | 46.4 Ų | 46.4 | 11% | 0.109 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.7 | -36.4 | 175.7 | 170.9 | 0 | 0 | 0 | 0 | 111.8 | C188 N189 L190 L194 D195 N196 A201 Y202 | C188-V192 WeakPolarHBondContact O-CG2 3.42Å; C188-V192 PolarHBondContact O-N 3.37Å; N189-V192 PolarHBondContact O-N 3.47Å; L190-V192 VanDerWaalsContact C-N 3.34Å; L190-V192 PolarHBondContact O-N 3.28Å; V192-L194 VanDerWaalsContact C-N 3.29Å; V192-L194 PolarHBondContact O-N 2.87Å; V192-D195 CarbonylContact O-C 3.45Å; V192-D195 VanDerWaalsContact O-C 3.29Å; V192-N196 PolarHBondContact O-N 3.16Å; V192-A201 HydrophobicContact CG2-CB 3.83Å; V192-Y202 HydrophobicContact CG1-CE1 4.05Å; V192-Y202 HydrophobicContact CG1-CE2 4.27Å; V192-Y202 VanDerWaalsContact CG1-OH 3.31Å; V192-Y202 WeakPolarHBondContact CG1-OH 3.39Å; V192-Y202 HydrophobicContact CG2-CD1 4.31Å; V192-Y202 HydrophobicContact CG2-CD2 4.21Å; V192-Y202 HydrophobicContact CG2-CE1 4.09Å; V192-Y202 HydrophobicContact CG2-CE2 3.97Å; V192-Y202 HydrophobicContact CG2-CG 4.38Å |
| 193 | A | 95.4 | Very high | 95 | Very high | 86 Ų | 86 | 44.5 Ų | 44.5 | 71% | 0.711 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -67.1 | -31 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N189 L190 | N189-A193 WeakPolarHBondContact O-CB 3.3Å; N189-A193 PolarHBondContact O-N 3.17Å; L190-A193 PolarHBondContact O-N 3.48Å |
| 194 | L | 93.1 | Very high | 95.1 | Very high | 64 Ų | 64 | 47.7 Ų | 47.7 | 34% | 0.335 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -76.3 | -46.2 | 174.3 | -66.7 | 174.4 | 0 | 0 | 0 | 111.8 | P165 P168 L190 A191 V192 | P165-L194 HydrophobicContact CB-CB 4.12Å; P168-L194 HydrophobicContact CG-CD1 4.25Å; L190-L194 HydrophobicContact CG-CD1 4.48Å; L190-L194 WeakPolarHBondContact O-CG 3.45Å; L190-L194 PolarHBondContact O-N 3.23Å; A191-L194 PolarHBondContact O-N 3.13Å; V192-L194 VanDerWaalsContact C-N 3.29Å; V192-L194 PolarHBondContact O-N 2.87Å |
| 195 | D | 92.3 | Very high | 95.1 | Very high | 50 Ų | 50 | 49 Ų | 49 | 27% | 0.267 | 26% | 0.262 | S | S | . | . | trans | -141.5 | 107.8 | 178.3 | -176.5 | 2.8 | 0 | 0 | 0 | 111.7 | P165 A191 V192 S197 Y198 | P165-D195 HydrophobicContact CB-CB 3.92Å; P165-D195 HydrophobicContact CG-CB 3.74Å; A191-D195 PolarHBondContact O-N 2.67Å; V192-D195 CarbonylContact O-C 3.45Å; V192-D195 VanDerWaalsContact O-C 3.29Å; D195-S197 VanDerWaalsContact C-N 3.26Å; D195-S197 PolarHBondContact O-N 3.45Å; D195-S197 WeakPolarHBondContact OD1-CA 3.41Å; D195-S197 WeakPolarHBondContact OD1-CB 3.08Å; D195-S197 PolarHBondContact OD1-N 3.26Å; D195-S197 PolarHBondContact OD1-OG 3.15Å; D195-S197 PolarHBondContact OD2-OG 2.86Å; D195-Y198 PolarHBondContact O-N 2.63Å | ||
| 196 | N | 92.5 | Very high | 95 | Very high | 104 Ų | 104 | 47.9 Ų | 47.9 | 56% | 0.556 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -15 | 178.4 | -168 | 79.4 | 0 | 0 | 0 | 112.9 | V192 Y202 | V192-N196 PolarHBondContact O-N 3.16Å; N196-Y202 WeakPolarHBondContact O-CE2 3.42Å; N196-Y202 PolarHBondContact O-OH 3.36Å; N196-Y202 PolarHBondContact OD1-OH 3.28Å |
| 197 | S | 93 | Very high | 95 | Very high | 78 Ų | 78 | 46 Ų | 46 | 55% | 0.545 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -9.7 | 175.9 | 75.3 | 0 | 0 | 0 | 0 | 112.9 | D195 Y199 | D195-S197 VanDerWaalsContact C-N 3.26Å; D195-S197 PolarHBondContact O-N 3.45Å; D195-S197 WeakPolarHBondContact OD1-CA 3.41Å; D195-S197 WeakPolarHBondContact OD1-CB 3.08Å; D195-S197 PolarHBondContact OD1-N 3.26Å; D195-S197 PolarHBondContact OD1-OG 3.15Å; D195-S197 PolarHBondContact OD2-OG 2.86Å; S197-Y199 PolarHBondContact O-N 3.44Å |
| 198 | Y | 93.9 | Very high | 95.1 | Very high | 36 Ų | 36 | 45.5 Ų | 45.5 | 14% | 0.141 | 24% | 0.243 | C | C | . | . | trans | -79.1 | 83.5 | -175.3 | -168.5 | -127.5 | 0 | 0 | 0 | 112.5 | P165 T169 D195 K200 A201 | P165-Y198 HydrophobicContact CB-CD1 4.21Å; T169-Y198 HydrophobicContact CG2-CE1 3.98Å; T169-Y198 WeakPolarHBondContact OG1-CE1 3.43Å; D195-Y198 PolarHBondContact O-N 2.63Å; Y198-K200 HydrophobicContact CD1-CB 4.44Å; Y198-K200 HydrophobicContact CE1-CB 3.9Å; Y198-K200 HydrophobicContact CE2-CB 3.97Å; Y198-K200 HydrophobicContact CE2-CD 3.96Å; Y198-K200 HydrophobicContact CE2-CG 4.25Å; Y198-K200 PolarHBondContact O-N 3.2Å; Y198-A201 HydrophobicContact CD1-CB 3.77Å; Y198-A201 HydrophobicContact CE1-CB 4.41Å; Y198-A201 WeakPolarHBondContact O-CB 3.46Å; Y198-A201 PolarHBondContact O-N 3.34Å | ||
| 199 | Y | 93.6 | Very high | 95 | Very high | 78 Ų | 78 | 46.9 Ų | 46.9 | 31% | 0.306 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -54.6 | -29 | -177 | 77.4 | -86.5 | 0 | 0 | 0 | 114.4 | S197 A201 Y202 A203 V225 D229 | S197-Y199 PolarHBondContact O-N 3.44Å; Y199-A201 VanDerWaalsContact C-N 3.28Å; Y199-A201 PolarHBondContact O-N 3.3Å; Y199-Y202 PolarHBondContact O-N 3.41Å; Y199-A203 PolarHBondContact O-N 2.91Å; Y199-V225 HydrophobicContact CD2-CG1 4.16Å; Y199-D229 HydrophobicContact CD2-CB 4.43Å; Y199-D229 HydrophobicContact CG-CB 4.45Å |
| 200 | K | 94.1 | Very high | 94.9 | Very high | 99 Ų | 99 | 47.2 Ų | 47.2 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.2 | -32.9 | 177.7 | -69.5 | 179.9 | -178.7 | 172 | 0 | 112.2 | Y198 A203 R204 | Y198-K200 HydrophobicContact CD1-CB 4.44Å; Y198-K200 HydrophobicContact CE1-CB 3.9Å; Y198-K200 HydrophobicContact CE2-CB 3.97Å; Y198-K200 HydrophobicContact CE2-CD 3.96Å; Y198-K200 HydrophobicContact CE2-CG 4.25Å; Y198-K200 PolarHBondContact O-N 3.2Å; K200-A203 PolarHBondContact O-N 3.23Å; K200-R204 VanDerWaalsContact O-CG 3.24Å; K200-R204 WeakPolarHBondContact O-CG 3.48Å; K200-R204 PolarHBondContact O-N 3.19Å |
| 201 | A | 95.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -42.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A191 V192 Y198 Y199 R204 R205 | A191-A201 HydrophobicContact CB-CB 3.76Å; V192-A201 HydrophobicContact CG2-CB 3.83Å; Y198-A201 HydrophobicContact CD1-CB 3.77Å; Y198-A201 HydrophobicContact CE1-CB 4.41Å; Y198-A201 WeakPolarHBondContact O-CB 3.46Å; Y198-A201 PolarHBondContact O-N 3.34Å; Y199-A201 VanDerWaalsContact C-N 3.28Å; Y199-A201 PolarHBondContact O-N 3.3Å; A201-R204 PolarHBondContact O-N 3.12Å; A201-R205 WeakPolarHBondContact O-CB 3.35Å; A201-R205 PolarHBondContact O-N 3.02Å |
| 202 | Y | 96.4 | Very high | 94.7 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 174.5 | -66.8 | -87.2 | 0 | 0 | 0 | 112.1 | V192 N196 Y199 R204 R205 G206 M224 L228 | V192-Y202 HydrophobicContact CG1-CE1 4.05Å; V192-Y202 HydrophobicContact CG1-CE2 4.27Å; V192-Y202 VanDerWaalsContact CG1-OH 3.31Å; V192-Y202 WeakPolarHBondContact CG1-OH 3.39Å; V192-Y202 HydrophobicContact CG2-CD1 4.31Å; V192-Y202 HydrophobicContact CG2-CD2 4.21Å; V192-Y202 HydrophobicContact CG2-CE1 4.09Å; V192-Y202 HydrophobicContact CG2-CE2 3.97Å; V192-Y202 HydrophobicContact CG2-CG 4.38Å; N196-Y202 WeakPolarHBondContact O-CE2 3.42Å; N196-Y202 PolarHBondContact O-OH 3.36Å; N196-Y202 PolarHBondContact OD1-OH 3.28Å; Y199-Y202 PolarHBondContact O-N 3.41Å; Y202-R204 VanDerWaalsContact C-N 3.34Å; Y202-R204 PolarHBondContact O-N 2.94Å; Y202-R205 PolarHBondContact O-N 3.32Å; Y202-G206 PolarHBondContact O-N 3.29Å; Y202-M224 HydrophobicContact CD1-CB 3.94Å; Y202-M224 HydrophobicContact CD1-CG 4.46Å; Y202-M224 HydrophobicContact CE1-CB 4.19Å; Y202-M224 HydrophobicContact CE1-CG 4.36Å; Y202-M224 HydrophobicContact CG-CB 4.35Å; Y202-L228 HydrophobicContact CD2-CD1 4.05Å; Y202-L228 HydrophobicContact CE2-CD1 3.95Å |
| 203 | A | 95.6 | Very high | 94.5 | Very high | 24 Ų | 24 | 55 Ų | 55 | 20% | 0.198 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61 | -42.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y199 K200 A207 V225 | Y199-A203 PolarHBondContact O-N 2.91Å; K200-A203 PolarHBondContact O-N 3.23Å; A203-A207 PolarHBondContact O-N 3.46Å; A203-V225 HydrophobicContact CB-CG2 3.96Å |
| 204 | R | 95.7 | Very high | 94.4 | Very high | 127 Ų | 127 | 55 Ų | 55 | 48% | 0.479 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69.3 | -37.8 | 176.7 | -66.5 | -63.9 | -175.3 | -146.3 | -5.1 | 112.3 | T169 T173 K200 A201 Y202 A207 A208 | T169-R204 HydrophobicContact CG2-CG 3.96Å; T173-R204 PolarHBondContact OG1-NE 3.19Å; K200-R204 VanDerWaalsContact O-CG 3.24Å; K200-R204 WeakPolarHBondContact O-CG 3.48Å; K200-R204 PolarHBondContact O-N 3.19Å; A201-R204 PolarHBondContact O-N 3.12Å; Y202-R204 VanDerWaalsContact C-N 3.34Å; Y202-R204 PolarHBondContact O-N 2.94Å; R204-A207 PolarHBondContact O-N 2.86Å; R204-A208 PolarHBondContact O-N 3.03Å |
| 205 | R | 96.8 | Very high | 94.4 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 11% | 0.109 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 174.5 | -165.3 | 170.4 | 64.7 | -169.3 | -3 | 111.8 | E185 C188 N189 A201 Y202 A207 A208 R209 D221 | E185-R205 HydrophobicContact CG-CG 4.3Å; C188-R205 HydrophobicContact CB-CB 3.64Å; C188-R205 HydrophobicContact CB-CG 4.04Å; N189-R205 WeakPolarHBondContact OD1-CD 3.42Å; N189-R205 PolarHBondContact OD1-NH1 3.23Å; A201-R205 WeakPolarHBondContact O-CB 3.35Å; A201-R205 PolarHBondContact O-N 3.02Å; Y202-R205 PolarHBondContact O-N 3.32Å; R205-A207 VanDerWaalsContact C-N 3.33Å; R205-A207 PolarHBondContact O-N 3.11Å; R205-A208 PolarHBondContact O-N 3.18Å; R205-A208 VanDerWaalsContact O-N 3.17Å; R205-R209 WeakPolarHBondContact O-CB 3.44Å; R205-R209 WeakPolarHBondContact O-CG 3.48Å; R205-R209 PolarHBondContact O-N 3.07Å; R205-D221 WeakPolarHBondContact CG-OD2 3.41Å; R205-D221 IonicContact CZ-OD1 3.5Å; R205-D221 VanDerWaalsContact CZ-OD1 3.22Å; R205-D221 IonicContact CZ-OD2 3.86Å; R205-D221 IonicContact NE-OD1 3.55Å; R205-D221 PolarHBondContact NE-OD1 3.43Å; R205-D221 IonicContact NE-OD2 2.75Å; R205-D221 PolarHBondContact NE-OD2 3.48Å; R205-D221 IonicContact NH2-OD1 3.53Å; R205-D221 PolarHBondContact NH2-OD1 3.2Å |
| 206 | G | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.4 | -43.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y202 R209 F210 | Y202-G206 PolarHBondContact O-N 3.29Å; G206-R209 PolarHBondContact O-N 2.83Å; G206-F210 VanDerWaalsContact O-CB 3.32Å; G206-F210 WeakPolarHBondContact O-CB 3.41Å; G206-F210 PolarHBondContact O-N 3.33Å |
| 207 | A | 95.7 | Very high | 94.3 | Very high | 21 Ų | 21 | 54.6 Ų | 54.6 | 17% | 0.174 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F176 A203 R204 R205 F210 A211 Y222 | F176-A207 HydrophobicContact CE2-CB 4.1Å; F176-A207 HydrophobicContact CZ-CB 4.34Å; A203-A207 PolarHBondContact O-N 3.46Å; R204-A207 PolarHBondContact O-N 2.86Å; R205-A207 VanDerWaalsContact C-N 3.33Å; R205-A207 PolarHBondContact O-N 3.11Å; A207-F210 PolarHBondContact O-N 3.41Å; A207-A211 PolarHBondContact O-N 2.74Å; A207-A211 VanDerWaalsContact O-N 3.1Å; A207-Y222 WeakPolarHBondContact CA-OH 3.46Å; A207-Y222 PolarHBondContact N-OH 3.29Å |
| 208 | A | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.8 | -43 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | F176 A184 R204 R205 A211 L212 | F176-A208 HydrophobicContact CD2-CB 4.34Å; A184-A208 HydrophobicContact CB-CB 4.28Å; R204-A208 PolarHBondContact O-N 3.03Å; R205-A208 PolarHBondContact O-N 3.18Å; R205-A208 VanDerWaalsContact O-N 3.17Å; A208-A211 PolarHBondContact O-N 3.11Å; A208-L212 WeakPolarHBondContact O-CG 3.44Å; A208-L212 PolarHBondContact O-N 3.18Å; A208-L212 VanDerWaalsContact O-N 3.08Å |
| 209 | R | 96 | Very high | 94.5 | Very high | 28 Ų | 28 | 49.9 Ų | 49.9 | 11% | 0.106 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.7 | -37.4 | 176.7 | -76.5 | 172.5 | 171.3 | -179.8 | -7.5 | 112.7 | E185 R205 G206 A211 L212 Q213 K214 A218 D221 | E185-R209 HydrophobicContact CG-CG 4.42Å; E185-R209 IonicContact OE1-CZ 3.46Å; E185-R209 IonicContact OE1-NE 2.73Å; E185-R209 PolarHBondContact OE1-NE 2.97Å; E185-R209 IonicContact OE1-NH2 3.57Å; E185-R209 PolarHBondContact OE1-NH2 3.17Å; R205-R209 WeakPolarHBondContact O-CB 3.44Å; R205-R209 WeakPolarHBondContact O-CG 3.48Å; R205-R209 PolarHBondContact O-N 3.07Å; G206-R209 PolarHBondContact O-N 2.83Å; R209-A211 VanDerWaalsContact C-N 3.33Å; R209-A211 PolarHBondContact O-N 3.05Å; R209-L212 CarbonylContact O-C 3.53Å; R209-L212 WeakPolarHBondContact O-CA 3.43Å; R209-L212 PolarHBondContact O-N 3.45Å; R209-L212 VanDerWaalsContact O-N 3.12Å; R209-Q213 PolarHBondContact O-N 3.24Å; R209-K214 HydrophobicContact CB-CB 4.17Å; R209-K214 HydrophobicContact CG-CD 4.43Å; R209-K214 PolarHBondContact O-N 3.23Å; R209-A218 HydrophobicContact CB-CB 3.98Å; R209-D221 VanDerWaalsContact CD-OD2 3.26Å; R209-D221 WeakPolarHBondContact CD-OD2 3.39Å; R209-D221 IonicContact CZ-OD2 2.69Å; R209-D221 IonicContact NE-OD2 3.63Å; R209-D221 IonicContact NH1-OD1 3.46Å; R209-D221 PolarHBondContact NH1-OD1 3.36Å; R209-D221 IonicContact NH1-OD2 3.55Å; R209-D221 PolarHBondContact NH1-OD2 3.13Å |
| 210 | F | 95 | Very high | 94.5 | Very high | 69 Ų | 69 | 50.3 Ų | 50.3 | 30% | 0.303 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 171.9 | -176.8 | -97.9 | 0 | 0 | 0 | 111.4 | G206 A207 L212 Q213 H215 A218 L242 I245 | G206-F210 VanDerWaalsContact O-CB 3.32Å; G206-F210 WeakPolarHBondContact O-CB 3.41Å; G206-F210 PolarHBondContact O-N 3.33Å; A207-F210 PolarHBondContact O-N 3.41Å; F210-L212 PolarHBondContact O-N 2.86Å; F210-Q213 PolarHBondContact O-N 3.35Å; F210-Q213 VanDerWaalsContact O-N 3.08Å; F210-H215 AromaticContact CD2-ND1 3.9Å; F210-A218 HydrophobicContact CB-CB 4.44Å; F210-L242 HydrophobicContact CD2-CD2 3.55Å; F210-L242 HydrophobicContact CD2-CG 4.12Å; F210-L242 HydrophobicContact CE2-CD2 3.88Å; F210-L242 HydrophobicContact CE2-CG 4.34Å; F210-I245 HydrophobicContact CE2-CD1 3.62Å; F210-I245 HydrophobicContact CZ-CD1 3.89Å |
| 211 | A | 94.3 | Very high | 94.6 | Very high | 37 Ų | 37 | 45.7 Ų | 45.7 | 31% | 0.306 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.9 | -25.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F176 Y181 A207 A208 R209 Q213 | F176-A211 HydrophobicContact CE2-CB 4.3Å; Y181-A211 HydrophobicContact CD1-CB 3.65Å; Y181-A211 HydrophobicContact CD2-CB 3.81Å; Y181-A211 HydrophobicContact CE1-CB 3.67Å; Y181-A211 HydrophobicContact CE2-CB 3.82Å; Y181-A211 HydrophobicContact CG-CB 3.72Å; A207-A211 PolarHBondContact O-N 2.74Å; A207-A211 VanDerWaalsContact O-N 3.1Å; A208-A211 PolarHBondContact O-N 3.11Å; R209-A211 VanDerWaalsContact C-N 3.33Å; R209-A211 PolarHBondContact O-N 3.05Å; A211-Q213 VanDerWaalsContact C-N 3.32Å |
| 212 | L | 93.3 | Very high | 94.6 | Very high | 58 Ų | 58 | 46.5 Ų | 46.5 | 30% | 0.304 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 6.1 | 173.6 | -69.4 | 171.7 | 0 | 0 | 0 | 113.8 | A208 R209 F210 K214 | A208-L212 WeakPolarHBondContact O-CG 3.44Å; A208-L212 PolarHBondContact O-N 3.18Å; A208-L212 VanDerWaalsContact O-N 3.08Å; R209-L212 CarbonylContact O-C 3.53Å; R209-L212 WeakPolarHBondContact O-CA 3.43Å; R209-L212 PolarHBondContact O-N 3.45Å; R209-L212 VanDerWaalsContact O-N 3.12Å; F210-L212 PolarHBondContact O-N 2.86Å; L212-K214 HydrophobicContact CB-CD 4.34Å; L212-K214 HydrophobicContact CB-CG 4.23Å; L212-K214 PolarHBondContact O-N 3.46Å |
| 213 | Q | 91.4 | Very high | 94.6 | Very high | 159 Ų | 159 | 50.1 Ų | 50.1 | 74% | 0.743 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 17.9 | -175.7 | -56.5 | 179 | -13.4 | 0 | 0 | 114.6 | R209 F210 A211 H215 | R209-Q213 PolarHBondContact O-N 3.24Å; F210-Q213 PolarHBondContact O-N 3.35Å; F210-Q213 VanDerWaalsContact O-N 3.08Å; A211-Q213 VanDerWaalsContact C-N 3.32Å; Q213-H215 PolarHBondContact O-CD2 3.49Å; Q213-H215 PolarHBondContact O-N 2.75Å |
| 214 | K | 92.6 | Very high | 94.5 | Very high | 85 Ų | 85 | 51.8 Ų | 51.8 | 37% | 0.37 | 25% | 0.245 | S | C | . | . | trans | -85.2 | 64.2 | 173.6 | -62.7 | 176.7 | -177.6 | 177.7 | 0 | 109.8 | E185 R209 L212 Q216 L217 A218 | E185-K214 IonicContact OE1-NZ 3.52Å; E185-K214 IonicContact OE2-NZ 3.18Å; E185-K214 PolarHBondContact OE2-NZ 3.11Å; R209-K214 HydrophobicContact CB-CB 4.17Å; R209-K214 HydrophobicContact CG-CD 4.43Å; R209-K214 PolarHBondContact O-N 3.23Å; L212-K214 HydrophobicContact CB-CD 4.34Å; L212-K214 HydrophobicContact CB-CG 4.23Å; L212-K214 PolarHBondContact O-N 3.46Å; K214-Q216 PolarHBondContact O-N 3.05Å; K214-L217 HydrophobicContact CB-CB 4.45Å; K214-L217 HydrophobicContact CB-CD1 4.4Å; K214-L217 HydrophobicContact CD-CD1 4.21Å; K214-L217 PolarHBondContact O-N 3.37Å; K214-A218 WeakPolarHBondContact O-CB 3.45Å; K214-A218 PolarHBondContact O-N 3.34Å | ||
| 215 | H | 92.6 | Very high | 94.5 | Very high | 40 Ų | 40 | 45.7 Ų | 45.7 | 19% | 0.185 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61 | -38.8 | -170 | -61.8 | -56.5 | 0 | 0 | 0 | 113.7 | F210 Q213 A218 L219 L242 L246 | F210-H215 AromaticContact CD2-ND1 3.9Å; Q213-H215 PolarHBondContact O-CD2 3.49Å; Q213-H215 PolarHBondContact O-N 2.75Å; H215-A218 PolarHBondContact O-N 3.42Å; H215-L219 PolarHBondContact O-N 3.25Å; H215-L242 HydrophobicContact CB-CD2 3.84Å; H215-L246 HydrophobicContact CB-CD2 3.82Å; H215-L246 HydrophobicContact CB-CG 4.23Å |
| 216 | Q | 91.1 | Very high | 94.4 | Very high | 105 Ų | 105 | 46.3 Ų | 46.3 | 49% | 0.491 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.2 | -49 | 179 | -168.4 | 64.7 | 15.1 | 0 | 0 | 112.4 | K214 A218 L219 E220 | K214-Q216 PolarHBondContact O-N 3.05Å; Q216-A218 VanDerWaalsContact C-N 3.27Å; Q216-A218 PolarHBondContact O-N 3.27Å; Q216-L219 VanDerWaalsContact O-CB 3.32Å; Q216-L219 WeakPolarHBondContact O-CB 3.21Å; Q216-L219 PolarHBondContact O-N 2.77Å; Q216-L219 VanDerWaalsContact O-N 3.1Å; Q216-E220 PolarHBondContact O-N 3.44Å |
| 217 | L | 92.9 | Very high | 94.3 | Very high | 65 Ų | 65 | 52.8 Ų | 52.8 | 34% | 0.34 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.8 | -30.2 | 178.6 | -63.7 | 174.9 | 0 | 0 | 0 | 112.3 | K214 D221 | K214-L217 HydrophobicContact CB-CB 4.45Å; K214-L217 HydrophobicContact CB-CD1 4.4Å; K214-L217 HydrophobicContact CD-CD1 4.21Å; K214-L217 PolarHBondContact O-N 3.37Å; L217-D221 PolarHBondContact O-N 3.5Å |
| 218 | A | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.1 | -36.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R209 F210 K214 H215 Q216 D221 Y222 L242 | R209-A218 HydrophobicContact CB-CB 3.98Å; F210-A218 HydrophobicContact CB-CB 4.44Å; K214-A218 WeakPolarHBondContact O-CB 3.45Å; K214-A218 PolarHBondContact O-N 3.34Å; H215-A218 PolarHBondContact O-N 3.42Å; Q216-A218 VanDerWaalsContact C-N 3.27Å; Q216-A218 PolarHBondContact O-N 3.27Å; A218-D221 PolarHBondContact O-N 2.96Å; A218-Y222 WeakPolarHBondContact O-CD2 3.04Å; A218-Y222 PolarHBondContact O-N 3.04Å; A218-L242 HydrophobicContact CB-CD1 3.87Å; A218-L242 HydrophobicContact CB-CD2 4.22Å |
| 219 | L | 94.8 | Very high | 93.9 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 177.2 | -176.8 | 70.9 | 0 | 0 | 0 | 111.1 | H215 Q216 D221 Y222 Q223 V239 L242 Q243 L246 | H215-L219 PolarHBondContact O-N 3.25Å; Q216-L219 VanDerWaalsContact O-CB 3.32Å; Q216-L219 WeakPolarHBondContact O-CB 3.21Å; Q216-L219 PolarHBondContact O-N 2.77Å; Q216-L219 VanDerWaalsContact O-N 3.1Å; L219-D221 VanDerWaalsContact C-N 3.33Å; L219-D221 PolarHBondContact O-N 3.43Å; L219-Y222 PolarHBondContact O-N 3.45Å; L219-Q223 WeakPolarHBondContact O-CB 3.4Å; L219-Q223 VanDerWaalsContact O-CG 3.27Å; L219-Q223 WeakPolarHBondContact O-CG 3.48Å; L219-Q223 PolarHBondContact O-N 2.86Å; L219-V239 HydrophobicContact CD1-CB 4.37Å; L219-V239 HydrophobicContact CD1-CG1 3.86Å; L219-V239 HydrophobicContact CD1-CG2 4.33Å; L219-L242 HydrophobicContact CB-CD1 4.4Å; L219-L242 HydrophobicContact CD1-CB 4.15Å; L219-Q243 HydrophobicContact CD1-CG 4.1Å; L219-L246 HydrophobicContact CD2-CD1 4.11Å |
| 220 | E | 94.6 | Very high | 93.6 | Very high | 86 Ų | 86 | 60.6 Ų | 60.6 | 40% | 0.402 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.9 | -45.1 | 175.6 | -68 | 168.1 | -165.2 | 0 | 0 | 111.5 | Q216 Y222 Q223 M224 | Q216-E220 PolarHBondContact O-N 3.44Å; E220-Y222 PolarHBondContact O-N 2.87Å; E220-Q223 WeakPolarHBondContact O-CB 3.38Å; E220-Q223 PolarHBondContact O-N 3.18Å; E220-M224 WeakPolarHBondContact O-CG 3.38Å; E220-M224 PolarHBondContact O-N 3.18Å |
| 221 | D | 95.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.016 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 178.3 | -78 | -23.8 | 0 | 0 | 0 | 112.3 | R205 R209 L217 A218 L219 Q223 M224 V225 | R205-D221 WeakPolarHBondContact CG-OD2 3.41Å; R205-D221 IonicContact CZ-OD1 3.5Å; R205-D221 VanDerWaalsContact CZ-OD1 3.22Å; R205-D221 IonicContact CZ-OD2 3.86Å; R205-D221 IonicContact NE-OD1 3.55Å; R205-D221 PolarHBondContact NE-OD1 3.43Å; R205-D221 IonicContact NE-OD2 2.75Å; R205-D221 PolarHBondContact NE-OD2 3.48Å; R205-D221 IonicContact NH2-OD1 3.53Å; R205-D221 PolarHBondContact NH2-OD1 3.2Å; R209-D221 VanDerWaalsContact CD-OD2 3.26Å; R209-D221 WeakPolarHBondContact CD-OD2 3.39Å; R209-D221 IonicContact CZ-OD2 2.69Å; R209-D221 IonicContact NE-OD2 3.63Å; R209-D221 IonicContact NH1-OD1 3.46Å; R209-D221 PolarHBondContact NH1-OD1 3.36Å; R209-D221 IonicContact NH1-OD2 3.55Å; R209-D221 PolarHBondContact NH1-OD2 3.13Å; L217-D221 PolarHBondContact O-N 3.5Å; A218-D221 PolarHBondContact O-N 2.96Å; L219-D221 VanDerWaalsContact C-N 3.33Å; L219-D221 PolarHBondContact O-N 3.43Å; D221-Q223 VanDerWaalsContact C-N 3.35Å; D221-M224 WeakPolarHBondContact O-CB 3.37Å; D221-M224 PolarHBondContact O-N 3Å; D221-V225 WeakPolarHBondContact O-CG2 3.48Å; D221-V225 PolarHBondContact O-N 3.05Å |
| 222 | Y | 95.8 | Very high | 93.3 | Very high | 17 Ų | 17 | 59.6 Ų | 59.6 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.3 | -29.6 | 177.3 | -71.4 | -63.9 | 0 | 0 | 0 | 112.9 | A207 A218 L219 E220 V225 L226 A235 E238 L242 | A207-Y222 WeakPolarHBondContact CA-OH 3.46Å; A207-Y222 PolarHBondContact N-OH 3.29Å; A218-Y222 WeakPolarHBondContact O-CD2 3.04Å; A218-Y222 PolarHBondContact O-N 3.04Å; L219-Y222 PolarHBondContact O-N 3.45Å; E220-Y222 PolarHBondContact O-N 2.87Å; Y222-V225 WeakPolarHBondContact O-CB 3.25Å; Y222-V225 PolarHBondContact O-N 3.4Å; Y222-L226 WeakPolarHBondContact O-CG 3.42Å; Y222-L226 PolarHBondContact O-N 3.36Å; Y222-A235 HydrophobicContact CD1-CB 4.14Å; Y222-E238 HydrophobicContact CD1-CB 4.23Å; Y222-E238 HydrophobicContact CD2-CB 3.99Å; Y222-E238 HydrophobicContact CE1-CB 4.01Å; Y222-E238 HydrophobicContact CE1-CG 4.13Å; Y222-E238 HydrophobicContact CE2-CB 3.75Å; Y222-E238 HydrophobicContact CE2-CG 4.33Å; Y222-E238 HydrophobicContact CG-CB 4.23Å; Y222-L242 HydrophobicContact CD2-CD1 3.57Å; Y222-L242 HydrophobicContact CE2-CD1 3.91Å |
| 223 | Q | 95.2 | Very high | 93.2 | Very high | 84 Ų | 84 | 60.1 Ų | 60.1 | 39% | 0.393 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 169.9 | -75.3 | 172.8 | -11.8 | 0 | 0 | 111.2 | L219 E220 D221 V225 L226 Q227 | L219-Q223 WeakPolarHBondContact O-CB 3.4Å; L219-Q223 VanDerWaalsContact O-CG 3.27Å; L219-Q223 WeakPolarHBondContact O-CG 3.48Å; L219-Q223 PolarHBondContact O-N 2.86Å; E220-Q223 WeakPolarHBondContact O-CB 3.38Å; E220-Q223 PolarHBondContact O-N 3.18Å; D221-Q223 VanDerWaalsContact C-N 3.35Å; Q223-V225 VanDerWaalsContact C-N 3.3Å; Q223-V225 PolarHBondContact O-N 3.22Å; Q223-L226 PolarHBondContact O-N 3.24Å; Q223-L226 VanDerWaalsContact O-N 3.11Å; Q223-Q227 WeakPolarHBondContact O-CG 3.4Å; Q223-Q227 PolarHBondContact O-N 3.28Å |
| 224 | M | 93.9 | Very high | 93.2 | Very high | 58 Ų | 58 | 59.6 Ų | 59.6 | 29% | 0.286 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 172.5 | -69.7 | -53.9 | -52.3 | 0 | 0 | 111.9 | Y202 E220 D221 L226 Q227 L228 | Y202-M224 HydrophobicContact CD1-CB 3.94Å; Y202-M224 HydrophobicContact CD1-CG 4.46Å; Y202-M224 HydrophobicContact CE1-CB 4.19Å; Y202-M224 HydrophobicContact CE1-CG 4.36Å; Y202-M224 HydrophobicContact CG-CB 4.35Å; E220-M224 WeakPolarHBondContact O-CG 3.38Å; E220-M224 PolarHBondContact O-N 3.18Å; D221-M224 WeakPolarHBondContact O-CB 3.37Å; D221-M224 PolarHBondContact O-N 3Å; M224-L226 VanDerWaalsContact C-N 3.31Å; M224-L226 PolarHBondContact O-N 3.43Å; M224-Q227 VanDerWaalsContact CE-OE1 3.28Å; M224-Q227 PolarHBondContact O-N 3.26Å; M224-Q227 PolarHBondContact SD-OE1 3.11Å; M224-L228 WeakPolarHBondContact O-CG 3.49Å; M224-L228 PolarHBondContact O-N 2.76Å |
| 225 | V | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 172.2 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | Y199 A203 D221 Y222 Q223 Q227 L228 D229 N232 A235 | Y199-V225 HydrophobicContact CD2-CG1 4.16Å; A203-V225 HydrophobicContact CB-CG2 3.96Å; D221-V225 WeakPolarHBondContact O-CG2 3.48Å; D221-V225 PolarHBondContact O-N 3.05Å; Y222-V225 WeakPolarHBondContact O-CB 3.25Å; Y222-V225 PolarHBondContact O-N 3.4Å; Q223-V225 VanDerWaalsContact C-N 3.3Å; Q223-V225 PolarHBondContact O-N 3.22Å; V225-Q227 VanDerWaalsContact C-N 3.32Å; V225-Q227 PolarHBondContact O-N 3.41Å; V225-L228 PolarHBondContact O-N 3.3Å; V225-D229 CarbonylContact O-C 3.57Å; V225-D229 WeakPolarHBondContact O-CA 3.27Å; V225-D229 PolarHBondContact O-N 3.33Å; V225-N232 HydrophobicContact CG1-CB 4.33Å; V225-A235 HydrophobicContact CB-CB 4.12Å; V225-A235 HydrophobicContact CG1-CB 3.67Å |
| 226 | L | 94.5 | Very high | 93.2 | Very high | 42 Ų | 42 | 57.9 Ų | 57.9 | 22% | 0.22 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.7 | -27.7 | 177.9 | -66.1 | 175.3 | 0 | 0 | 0 | 113.4 | Y222 Q223 M224 D229 P230 A235 Q236 V239 | Y222-L226 WeakPolarHBondContact O-CG 3.42Å; Y222-L226 PolarHBondContact O-N 3.36Å; Q223-L226 PolarHBondContact O-N 3.24Å; Q223-L226 VanDerWaalsContact O-N 3.11Å; M224-L226 VanDerWaalsContact C-N 3.31Å; M224-L226 PolarHBondContact O-N 3.43Å; L226-D229 CarbonylContact O-C 3.52Å; L226-P230 VanDerWaalsContact O-CA 3.26Å; L226-P230 WeakPolarHBondContact O-CA 3.34Å; L226-P230 WeakPolarHBondContact O-CG 3.48Å; L226-A235 HydrophobicContact CD2-CB 3.83Å; L226-A235 HydrophobicContact CG-CB 4.15Å; L226-Q236 HydrophobicContact CD1-CG 4.31Å; L226-Q236 HydrophobicContact CD2-CB 4.48Å; L226-Q236 HydrophobicContact CD2-CG 3.44Å; L226-Q236 VanDerWaalsContact CD2-CG 3.44Å; L226-V239 HydrophobicContact CD1-CG2 3.98Å |
| 227 | Q | 94.1 | Very high | 93.3 | Very high | 135 Ų | 135 | 55.2 Ų | 55.2 | 63% | 0.631 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -69.6 | -40.1 | 172.2 | -71.3 | 178.9 | 8.9 | 0 | 0 | 111.7 | Q223 M224 V225 | Q223-Q227 WeakPolarHBondContact O-CG 3.4Å; Q223-Q227 PolarHBondContact O-N 3.28Å; M224-Q227 VanDerWaalsContact CE-OE1 3.28Å; M224-Q227 PolarHBondContact O-N 3.26Å; M224-Q227 PolarHBondContact SD-OE1 3.11Å; V225-Q227 VanDerWaalsContact C-N 3.32Å; V225-Q227 PolarHBondContact O-N 3.41Å |
| 228 | L | 92.3 | Very high | 93.3 | Very high | 73 Ų | 73 | 54 Ų | 54 | 38% | 0.382 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -81 | -37.9 | -179.5 | -65.5 | 174.1 | 0 | 0 | 0 | 112.8 | Y202 M224 V225 | Y202-L228 HydrophobicContact CD2-CD1 4.05Å; Y202-L228 HydrophobicContact CE2-CD1 3.95Å; M224-L228 WeakPolarHBondContact O-CG 3.49Å; M224-L228 PolarHBondContact O-N 2.76Å; V225-L228 PolarHBondContact O-N 3.3Å |
| 229 | D | 90.5 | Very high | 93.3 | Very high | 51 Ų | 51 | 54.6 Ų | 54.6 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | trans | -135 | 87 | 177.1 | -178.7 | 11.7 | 0 | 0 | 0 | 110.6 | Y199 V225 L226 G231 N232 | Y199-D229 HydrophobicContact CD2-CB 4.43Å; Y199-D229 HydrophobicContact CG-CB 4.45Å; V225-D229 CarbonylContact O-C 3.57Å; V225-D229 WeakPolarHBondContact O-CA 3.27Å; V225-D229 PolarHBondContact O-N 3.33Å; L226-D229 CarbonylContact O-C 3.52Å; D229-G231 PolarHBondContact O-N 3.18Å; D229-G231 VanDerWaalsContact O-N 3.11Å; D229-G231 PolarHBondContact OD1-N 3.49Å; D229-N232 HydrophobicContact CB-CB 4.4Å; D229-N232 PolarHBondContact O-N 2.96Å | ||
| 230 | P | 90.4 | Very high | 93.2 | Very high | 90 Ų | 90 | 59.8 Ų | 59.8 | 58% | 0.584 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -19.5 | 179.1 | -24.7 | 34.1 | 0 | 0 | 0 | 114.3 | L226 Q236 | L226-P230 VanDerWaalsContact O-CA 3.26Å; L226-P230 WeakPolarHBondContact O-CA 3.34Å; L226-P230 WeakPolarHBondContact O-CG 3.48Å; P230-Q236 PolarHBondContact O-NE2 3.48Å; P230-Q236 VanDerWaalsContact O-NE2 3.17Å |
| 231 | G | 90.5 | Very high | 93.1 | Very high | 63 Ų | 63 | 60.1 Ų | 60.1 | 65% | 0.649 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -2.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D229 A233 | D229-G231 PolarHBondContact O-N 3.18Å; D229-G231 VanDerWaalsContact O-N 3.11Å; D229-G231 PolarHBondContact OD1-N 3.49Å; G231-A233 PolarHBondContact O-N 2.9Å |
| 232 | N | 92.7 | Very high | 93 | Very high | 21 Ų | 21 | 60 Ų | 60 | 11% | 0.112 | 33% | 0.326 | C | S | . | . | trans | -75.2 | 97.9 | -174.5 | -167.9 | -26 | 0 | 0 | 0 | 112.5 | V225 D229 E234 A235 Q236 | V225-N232 HydrophobicContact CG1-CB 4.33Å; D229-N232 HydrophobicContact CB-CB 4.4Å; D229-N232 PolarHBondContact O-N 2.96Å; N232-E234 VanDerWaalsContact C-N 3.28Å; N232-E234 PolarHBondContact O-N 3.05Å; N232-E234 WeakPolarHBondContact OD1-CB 3.33Å; N232-E234 PolarHBondContact OD1-N 3.18Å; N232-A235 HydrophobicContact CB-CB 4.14Å; N232-A235 PolarHBondContact O-N 3.23Å; N232-A235 PolarHBondContact OD1-N 3.39Å; N232-Q236 WeakPolarHBondContact O-CG 3.45Å; N232-Q236 PolarHBondContact O-N 3.42Å | ||
| 233 | A | 91.2 | Very high | 92.8 | Very high | 70 Ų | 70 | 64 Ų | 64 | 58% | 0.579 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.1 | -31.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G231 S237 | G231-A233 PolarHBondContact O-N 2.9Å; A233-S237 PolarHBondContact O-N 3.27Å; A233-S237 VanDerWaalsContact O-N 3.08Å |
| 234 | E | 90.6 | Very high | 92.6 | Very high | 147 Ų | 147 | 65.6 Ų | 65.6 | 69% | 0.687 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.7 | -50.7 | 177.5 | -60.2 | -179.1 | 175.9 | 0 | 0 | 109.8 | N232 Q236 S237 E238 | N232-E234 VanDerWaalsContact C-N 3.28Å; N232-E234 PolarHBondContact O-N 3.05Å; N232-E234 WeakPolarHBondContact OD1-CB 3.33Å; N232-E234 PolarHBondContact OD1-N 3.18Å; E234-Q236 VanDerWaalsContact C-N 3.35Å; E234-Q236 PolarHBondContact O-N 3.02Å; E234-S237 PolarHBondContact O-N 3.31Å; E234-S237 VanDerWaalsContact O-N 3.13Å; E234-S237 PolarHBondContact O-OG 3.33Å; E234-E238 WeakPolarHBondContact O-CG 3.44Å; E234-E238 PolarHBondContact O-N 2.86Å |
| 235 | A | 91.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 65.1 Ų | 65.1 | 2% | 0.017 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y222 V225 L226 N232 S237 E238 V239 | Y222-A235 HydrophobicContact CD1-CB 4.14Å; V225-A235 HydrophobicContact CB-CB 4.12Å; V225-A235 HydrophobicContact CG1-CB 3.67Å; L226-A235 HydrophobicContact CD2-CB 3.83Å; L226-A235 HydrophobicContact CG-CB 4.15Å; N232-A235 HydrophobicContact CB-CB 4.14Å; N232-A235 PolarHBondContact O-N 3.23Å; N232-A235 PolarHBondContact OD1-N 3.39Å; A235-S237 VanDerWaalsContact C-N 3.32Å; A235-S237 PolarHBondContact O-N 3.23Å; A235-E238 PolarHBondContact O-N 2.79Å; A235-V239 VanDerWaalsContact O-CG2 3.29Å; A235-V239 WeakPolarHBondContact O-CG2 3.26Å; A235-V239 PolarHBondContact O-N 3.39Å |
| 236 | Q | 93.1 | Very high | 91.9 | Very high | 88 Ų | 88 | 67.4 Ų | 67.4 | 41% | 0.411 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 175.8 | -65.6 | -178.2 | 7.5 | 0 | 0 | 112.3 | L226 P230 N232 E234 K240 | L226-Q236 HydrophobicContact CD1-CG 4.31Å; L226-Q236 HydrophobicContact CD2-CB 4.48Å; L226-Q236 HydrophobicContact CD2-CG 3.44Å; L226-Q236 VanDerWaalsContact CD2-CG 3.44Å; P230-Q236 PolarHBondContact O-NE2 3.48Å; P230-Q236 VanDerWaalsContact O-NE2 3.17Å; N232-Q236 WeakPolarHBondContact O-CG 3.45Å; N232-Q236 PolarHBondContact O-N 3.42Å; E234-Q236 VanDerWaalsContact C-N 3.35Å; E234-Q236 PolarHBondContact O-N 3.02Å; Q236-K240 WeakPolarHBondContact O-CG 3.39Å; Q236-K240 PolarHBondContact O-N 3.48Å |
| 237 | S | 94 | Very high | 91.5 | Very high | 48 Ų | 48 | 68.1 Ų | 68.1 | 34% | 0.336 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.5 | -39.9 | 177.4 | 79.8 | 0 | 0 | 0 | 0 | 111.9 | A233 E234 A235 K240 K241 | A233-S237 PolarHBondContact O-N 3.27Å; A233-S237 VanDerWaalsContact O-N 3.08Å; E234-S237 PolarHBondContact O-N 3.31Å; E234-S237 VanDerWaalsContact O-N 3.13Å; E234-S237 PolarHBondContact O-OG 3.33Å; A235-S237 VanDerWaalsContact C-N 3.32Å; A235-S237 PolarHBondContact O-N 3.23Å; S237-K240 PolarHBondContact O-N 2.87Å; S237-K241 VanDerWaalsContact O-CG 3.31Å; S237-K241 WeakPolarHBondContact O-CG 3.47Å; S237-K241 PolarHBondContact O-N 2.95Å; S237-K241 VanDerWaalsContact O-N 3.1Å |
| 238 | E | 93.4 | Very high | 90.7 | Very high | 39 Ų | 39 | 67.6 Ų | 67.6 | 18% | 0.182 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -70.1 | -37.6 | 178.4 | -66.2 | -55 | 139.7 | 0 | 0 | 112.1 | Y222 E234 A235 K240 K241 L242 | Y222-E238 HydrophobicContact CD1-CB 4.23Å; Y222-E238 HydrophobicContact CD2-CB 3.99Å; Y222-E238 HydrophobicContact CE1-CB 4.01Å; Y222-E238 HydrophobicContact CE1-CG 4.13Å; Y222-E238 HydrophobicContact CE2-CB 3.75Å; Y222-E238 HydrophobicContact CE2-CG 4.33Å; Y222-E238 HydrophobicContact CG-CB 4.23Å; E234-E238 WeakPolarHBondContact O-CG 3.44Å; E234-E238 PolarHBondContact O-N 2.86Å; A235-E238 PolarHBondContact O-N 2.79Å; E238-K240 PolarHBondContact O-N 3.06Å; E238-K241 PolarHBondContact O-N 2.98Å; E238-K241 IonicContact OE1-NZ 2.69Å; E238-K241 PolarHBondContact OE1-NZ 3.44Å; E238-K241 IonicContact OE2-NZ 3.91Å; E238-L242 WeakPolarHBondContact O-CB 3.48Å; E238-L242 WeakPolarHBondContact O-CG 3.22Å; E238-L242 PolarHBondContact O-N 3.28Å |
| 239 | V | 93.7 | Very high | 89.6 | Confident | 13 Ų | 13 | 68.8 Ų | 68.8 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 172.8 | 166.9 | 0 | 0 | 0 | 0 | 111.2 | L219 L226 A235 L242 Q243 | L219-V239 HydrophobicContact CD1-CB 4.37Å; L219-V239 HydrophobicContact CD1-CG1 3.86Å; L219-V239 HydrophobicContact CD1-CG2 4.33Å; L226-V239 HydrophobicContact CD1-CG2 3.98Å; A235-V239 VanDerWaalsContact O-CG2 3.29Å; A235-V239 WeakPolarHBondContact O-CG2 3.26Å; A235-V239 PolarHBondContact O-N 3.39Å; V239-L242 PolarHBondContact O-N 3.47Å; V239-Q243 HydrophobicContact CG1-CG 4.41Å; V239-Q243 WeakPolarHBondContact O-CB 3.23Å; V239-Q243 VanDerWaalsContact O-CG 3.28Å; V239-Q243 WeakPolarHBondContact O-CG 3.37Å; V239-Q243 PolarHBondContact O-N 3.41Å |
| 240 | K | 93.3 | Very high | 88.1 | Confident | 126 Ų | 126 | 73.3 Ų | 73.3 | 55% | 0.548 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 177.2 | -72.4 | 176.8 | -178.9 | 178.3 | 0 | 111.7 | Q236 S237 E238 L242 Q243 E244 | Q236-K240 WeakPolarHBondContact O-CG 3.39Å; Q236-K240 PolarHBondContact O-N 3.48Å; S237-K240 PolarHBondContact O-N 2.87Å; E238-K240 PolarHBondContact O-N 3.06Å; K240-L242 VanDerWaalsContact C-N 3.32Å; K240-L242 PolarHBondContact O-N 2.98Å; K240-Q243 PolarHBondContact O-N 3.16Å; K240-E244 WeakPolarHBondContact O-CG 3.38Å; K240-E244 PolarHBondContact O-N 3.08Å |
| 241 | K | 93.4 | Very high | 86.6 | Confident | 93 Ų | 93 | 75 Ų | 75 | 40% | 0.404 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.1 | -44.9 | 175.7 | -69.5 | 170.9 | -165.3 | 170.4 | 0 | 111.7 | S237 E238 E244 I245 | S237-K241 VanDerWaalsContact O-CG 3.31Å; S237-K241 WeakPolarHBondContact O-CG 3.47Å; S237-K241 PolarHBondContact O-N 2.95Å; S237-K241 VanDerWaalsContact O-N 3.1Å; E238-K241 PolarHBondContact O-N 2.98Å; E238-K241 IonicContact OE1-NZ 2.69Å; E238-K241 PolarHBondContact OE1-NZ 3.44Å; E238-K241 IonicContact OE2-NZ 3.91Å; K241-E244 PolarHBondContact O-N 3.17Å; K241-I245 WeakPolarHBondContact O-CD1 3.31Å; K241-I245 VanDerWaalsContact O-CG1 3.25Å; K241-I245 WeakPolarHBondContact O-CG1 3.34Å; K241-I245 PolarHBondContact O-N 3.12Å |
| 242 | L | 92.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 178.2 | -83.1 | 168.3 | 0 | 0 | 0 | 112.2 | F210 H215 A218 L219 Y222 E238 V239 K240 I245 L246 | F210-L242 HydrophobicContact CD2-CD2 3.55Å; F210-L242 HydrophobicContact CD2-CG 4.12Å; F210-L242 HydrophobicContact CE2-CD2 3.88Å; F210-L242 HydrophobicContact CE2-CG 4.34Å; H215-L242 HydrophobicContact CB-CD2 3.84Å; A218-L242 HydrophobicContact CB-CD1 3.87Å; A218-L242 HydrophobicContact CB-CD2 4.22Å; L219-L242 HydrophobicContact CB-CD1 4.4Å; L219-L242 HydrophobicContact CD1-CB 4.15Å; Y222-L242 HydrophobicContact CD2-CD1 3.57Å; Y222-L242 HydrophobicContact CE2-CD1 3.91Å; E238-L242 WeakPolarHBondContact O-CB 3.48Å; E238-L242 WeakPolarHBondContact O-CG 3.22Å; E238-L242 PolarHBondContact O-N 3.28Å; V239-L242 PolarHBondContact O-N 3.47Å; K240-L242 VanDerWaalsContact C-N 3.32Å; K240-L242 PolarHBondContact O-N 2.98Å; L242-I245 PolarHBondContact O-N 3.34Å; L242-L246 WeakPolarHBondContact O-CB 3.43Å; L242-L246 VanDerWaalsContact O-CG 3.25Å; L242-L246 WeakPolarHBondContact O-CG 3.45Å; L242-L246 PolarHBondContact O-N 3.47Å |
| 243 | Q | 91.8 | Very high | 82.5 | Confident | 100 Ų | 100 | 84 Ų | 84 | 47% | 0.467 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 175.6 | -74.4 | 172.8 | -20.8 | 0 | 0 | 112 | L219 V239 K240 L246 A247 | L219-Q243 HydrophobicContact CD1-CG 4.1Å; V239-Q243 HydrophobicContact CG1-CG 4.41Å; V239-Q243 WeakPolarHBondContact O-CB 3.23Å; V239-Q243 VanDerWaalsContact O-CG 3.28Å; V239-Q243 WeakPolarHBondContact O-CG 3.37Å; V239-Q243 PolarHBondContact O-N 3.41Å; K240-Q243 PolarHBondContact O-N 3.16Å; Q243-L246 PolarHBondContact O-N 2.99Å; Q243-A247 VanDerWaalsContact O-CB 3.31Å; Q243-A247 WeakPolarHBondContact O-CB 3.03Å; Q243-A247 PolarHBondContact O-N 3.17Å |
| 244 | E | 90.7 | Very high | 80.2 | Confident | 119 Ų | 119 | 86.2 Ų | 86.2 | 56% | 0.556 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.2 | -42 | 175 | -72.4 | 171.4 | -169.6 | 0 | 0 | 112.2 | K240 K241 A247 Q248 | K240-E244 WeakPolarHBondContact O-CG 3.38Å; K240-E244 PolarHBondContact O-N 3.08Å; K241-E244 PolarHBondContact O-N 3.17Å; E244-A247 PolarHBondContact O-N 2.82Å; E244-Q248 VanDerWaalsContact O-CG 3.29Å; E244-Q248 WeakPolarHBondContact O-CG 3.47Å; E244-Q248 PolarHBondContact O-N 3.39Å |
| 245 | I | 88.6 | Confident | 77.9 | Confident | 47 Ų | 47 | 83.9 Ų | 83.9 | 24% | 0.241 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -64 | -46.3 | 176.6 | -70.4 | 162.6 | 0 | 0 | 0 | 110.4 | F210 K241 L242 A247 Q248 V249 | F210-I245 HydrophobicContact CE2-CD1 3.62Å; F210-I245 HydrophobicContact CZ-CD1 3.89Å; K241-I245 WeakPolarHBondContact O-CD1 3.31Å; K241-I245 VanDerWaalsContact O-CG1 3.25Å; K241-I245 WeakPolarHBondContact O-CG1 3.34Å; K241-I245 PolarHBondContact O-N 3.12Å; L242-I245 PolarHBondContact O-N 3.34Å; I245-A247 PolarHBondContact O-N 3.24Å; I245-Q248 PolarHBondContact O-N 2.9Å; I245-V249 WeakPolarHBondContact O-CG2 3.4Å; I245-V249 PolarHBondContact O-N 3.26Å |
| 246 | L | 86.7 | Confident | 75.9 | Confident | 49 Ų | 49 | 89.8 Ų | 89.8 | 26% | 0.257 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 178.5 | -71.9 | 169.7 | 0 | 0 | 0 | 111.5 | H215 L219 L242 Q243 Q248 V249 D250 | H215-L246 HydrophobicContact CB-CD2 3.82Å; H215-L246 HydrophobicContact CB-CG 4.23Å; L219-L246 HydrophobicContact CD2-CD1 4.11Å; L242-L246 WeakPolarHBondContact O-CB 3.43Å; L242-L246 VanDerWaalsContact O-CG 3.25Å; L242-L246 WeakPolarHBondContact O-CG 3.45Å; L242-L246 PolarHBondContact O-N 3.47Å; Q243-L246 PolarHBondContact O-N 2.99Å; L246-Q248 VanDerWaalsContact C-N 3.32Å; L246-Q248 PolarHBondContact O-N 3.41Å; L246-V249 PolarHBondContact O-N 3.14Å; L246-D250 PolarHBondContact O-N 3.42Å; L246-D250 VanDerWaalsContact O-N 3.15Å |
| 247 | A | 85.5 | Confident | 73.4 | Confident | 57 Ų | 57 | 92.9 Ų | 92.9 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -34.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q243 E244 I245 V251 | Q243-A247 VanDerWaalsContact O-CB 3.31Å; Q243-A247 WeakPolarHBondContact O-CB 3.03Å; Q243-A247 PolarHBondContact O-N 3.17Å; E244-A247 PolarHBondContact O-N 2.82Å; I245-A247 PolarHBondContact O-N 3.24Å; A247-V251 VanDerWaalsContact O-CG2 3.3Å; A247-V251 WeakPolarHBondContact O-CG2 3.24Å |
| 248 | Q | 78.7 | Confident | 70.9 | Confident | 123 Ų | 123 | 96.3 Ų | 96.3 | 58% | 0.575 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -73.6 | -33.3 | 175.9 | -74.7 | 175.1 | 46.7 | 0 | 0 | 113 | E244 I245 L246 D250 V251 R252 | E244-Q248 VanDerWaalsContact O-CG 3.29Å; E244-Q248 WeakPolarHBondContact O-CG 3.47Å; E244-Q248 PolarHBondContact O-N 3.39Å; I245-Q248 PolarHBondContact O-N 2.9Å; L246-Q248 VanDerWaalsContact C-N 3.32Å; L246-Q248 PolarHBondContact O-N 3.41Å; Q248-D250 VanDerWaalsContact C-N 3.34Å; Q248-V251 PolarHBondContact O-N 3.48Å; Q248-R252 PolarHBondContact O-N 2.91Å |
| 249 | V | 67.8 | Low | 68.6 | Low | 98 Ų | 98 | 97.6 Ų | 97.6 | 59% | 0.594 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.3 | -37.5 | 175.9 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | I245 L246 V251 | I245-V249 WeakPolarHBondContact O-CG2 3.4Å; I245-V249 PolarHBondContact O-N 3.26Å; L246-V249 PolarHBondContact O-N 3.14Å; V249-V251 VanDerWaalsContact C-N 3.29Å; V249-V251 PolarHBondContact O-N 3.04Å |
| 250 | D | 60.4 | Low | 66.3 | Low | 146 Ų | 146 | 105.2 Ų | 105.2 | 78% | 0.781 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.8 | -24.7 | -180 | -144.4 | 11.8 | 0 | 0 | 0 | 113.1 | L246 Q248 | L246-D250 PolarHBondContact O-N 3.42Å; L246-D250 VanDerWaalsContact O-N 3.15Å; Q248-D250 VanDerWaalsContact C-N 3.34Å |
| 251 | V | 59.6 | Low | 64.1 | Low | 126 Ų | 126 | 101.4 Ų | 101.4 | 76% | 0.764 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -93.7 | -17.9 | -176.2 | 177.4 | 0 | 0 | 0 | 0 | 113.4 | A247 Q248 V249 | A247-V251 VanDerWaalsContact O-CG2 3.3Å; A247-V251 WeakPolarHBondContact O-CG2 3.24Å; Q248-V251 PolarHBondContact O-N 3.48Å; V249-V251 VanDerWaalsContact C-N 3.29Å; V249-V251 PolarHBondContact O-N 3.04Å |
| 252 | R | 53 | Low | 62.7 | Low | 229 Ų | 229 | 100.1 Ų | 100.1 | 86% | 0.864 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -104.9 | -4.8 | -171.7 | -110.9 | 179.2 | -177.1 | 178.2 | 1.9 | 116.2 | Q248 | Q248-R252 PolarHBondContact O-N 2.91Å |
| 253 | G | 42.1 | Very low | 61.4 | Low | 45 Ų | 45 | 104 Ų | 104 | 46% | 0.464 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -96.5 | 143.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | A255 | G253-A255 PolarHBondContact O-N 2.69Š|
| 254 | P | 44.8 | Very low | 60.3 | Low | 116 Ų | 116 | 101.6 Ų | 101.6 | 75% | 0.753 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -56.3 | 140.4 | 145 | 29.9 | -29.8 | 0 | 0 | 0 | 105.8 | V256 | P254-V256 PolarHBondContact O-N 3.38Š|
| 255 | A | 42.3 | Very low | 59.4 | Low | 98 Ų | 98 | 97.8 Ų | 97.8 | 81% | 0.81 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -56.2 | 77.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G253 Q257 | G253-A255 PolarHBondContact O-N 2.69Å; A255-Q257 PolarHBondContact O-N 3.04Å |
| 256 | V | 48 | Very low | 58.8 | Low | 126 Ų | 126 | 100.9 Ų | 100.9 | 76% | 0.764 | 60% | 0.597 | S | S | * | * | trans | -88.3 | 85.9 | 146.4 | -174.3 | 0 | 0 | 0 | 0 | 102 | P254 P258 | P254-V256 PolarHBondContact O-N 3.38Å; V256-P258 WeakPolarHBondContact O-CD 3.01Å; V256-P258 VanDerWaalsContact O-N 3.15Å | ||
| 257 | Q | 40.8 | Very low | 58.6 | Low | 153 Ų | 153 | 103 Ų | 103 | 72% | 0.715 | 61% | 0.606 | S | S | * | * | trans | -42.4 | 125.4 | 158.2 | -64.3 | 170.8 | 5.2 | 0 | 0 | 105.4 | A255 A259 | A255-Q257 PolarHBondContact O-N 3.04Å; Q257-A259 PolarHBondContact O-N 3.21Å | ||
| 258 | P | 42.8 | Very low | 58.6 | Low | 119 Ų | 119 | 107.5 Ų | 107.5 | 77% | 0.773 | 61% | 0.611 | S | S | * | * | trans | -56.5 | 104.1 | 154.2 | 22.3 | -23 | 0 | 0 | 0 | 102.3 | V256 E260 | V256-P258 WeakPolarHBondContact O-CD 3.01Å; V256-P258 VanDerWaalsContact O-N 3.15Å; P258-E260 VanDerWaalsContact C-N 3.31Å; P258-E260 PolarHBondContact O-N 2.99Å | ||
| 259 | A | 43.5 | Very low | 58.9 | Low | 67 Ų | 67 | 107 Ų | 107 | 55% | 0.554 | 61% | 0.608 | S | S | * | * | trans | -51.9 | 108 | -175.7 | 0 | 0 | 0 | 0 | 0 | 104.9 | Q257 A261 | Q257-A259 PolarHBondContact O-N 3.21Å; A259-A261 VanDerWaalsContact C-N 3.31Å; A259-A261 PolarHBondContact O-N 3.44Å | ||
| 260 | E | 45.8 | Very low | 59.9 | Low | 172 Ų | 172 | 106.2 Ų | 106.2 | 80% | 0.804 | 60% | 0.6 | S | S | * | * | trans | -42.1 | 114.2 | 153.6 | -67.6 | 180 | 160.8 | 0 | 0 | 102.3 | P258 T262 | P258-E260 VanDerWaalsContact C-N 3.31Å; P258-E260 PolarHBondContact O-N 2.99Å; E260-T262 VanDerWaalsContact O-CA 3.28Å; E260-T262 WeakPolarHBondContact O-CA 3.46Å; E260-T262 WeakPolarHBondContact O-CG2 3.32Å; E260-T262 PolarHBondContact O-N 3.49Å | ||
| 261 | A | 48 | Very low | 61.3 | Low | 46 Ų | 46 | 103.5 Ų | 103.5 | 38% | 0.38 | 58% | 0.583 | S | S | . | * | trans | -50 | 103.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 104.8 | A259 D265 Q266 | A259-A261 VanDerWaalsContact C-N 3.31Å; A259-A261 PolarHBondContact O-N 3.44Å; A261-D265 HydrophobicContact CB-CB 4.26Å; A261-Q266 HydrophobicContact CB-CG 4.18Å | ||
| 262 | T | 62.8 | Low | 62.7 | Low | 67 Ų | 67 | 101.3 Ų | 101.3 | 41% | 0.411 | 56% | 0.564 | S | S | . | * | trans | -63.4 | 159.4 | -163.7 | 50.8 | 0 | 0 | 0 | 0 | 105.5 | E260 A264 D265 Q266 | E260-T262 VanDerWaalsContact O-CA 3.28Å; E260-T262 WeakPolarHBondContact O-CA 3.46Å; E260-T262 WeakPolarHBondContact O-CG2 3.32Å; E260-T262 PolarHBondContact O-N 3.49Å; T262-A264 CarbonylContact O-C 3.56Å; T262-A264 PolarHBondContact O-N 3.13Å; T262-D265 PolarHBondContact N-OD2 3.08Å; T262-D265 VanDerWaalsContact N-OD2 3.15Å; T262-D265 WeakPolarHBondContact O-CA 3.29Å; T262-D265 PolarHBondContact O-N 3.21Å; T262-D265 PolarHBondContact OG1-N 3.38Å; T262-D265 PolarHBondContact OG1-OD2 3.34Å; T262-Q266 PolarHBondContact O-N 3.45Å | ||
| 263 | A | 66.4 | Low | 64.5 | Low | 82 Ų | 82 | 95.6 Ų | 95.6 | 68% | 0.678 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -48.3 | -28.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q267 | A263-Q267 WeakPolarHBondContact O-CB 3.49Å; A263-Q267 PolarHBondContact O-N 3.01Å |
| 264 | A | 67.7 | Low | 66.9 | Low | 48 Ų | 48 | 98.9 Ų | 98.9 | 40% | 0.397 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.3 | -40.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T262 Q267 R268 | T262-A264 CarbonylContact O-C 3.56Å; T262-A264 PolarHBondContact O-N 3.13Å; A264-Q267 PolarHBondContact O-N 2.94Å; A264-R268 VanDerWaalsContact O-CG 3.3Å; A264-R268 WeakPolarHBondContact O-CG 3.49Å; A264-R268 PolarHBondContact O-N 3.42Å |
| 265 | D | 72.9 | Confident | 69.2 | Low | 40 Ų | 40 | 99 Ų | 99 | 21% | 0.214 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -72.3 | -37.1 | 176.2 | -60.2 | -47.3 | 0 | 0 | 0 | 111.8 | A261 T262 Q267 R268 Q269 | A261-D265 HydrophobicContact CB-CB 4.26Å; T262-D265 PolarHBondContact N-OD2 3.08Å; T262-D265 VanDerWaalsContact N-OD2 3.15Å; T262-D265 WeakPolarHBondContact O-CA 3.29Å; T262-D265 PolarHBondContact O-N 3.21Å; T262-D265 PolarHBondContact OG1-N 3.38Å; T262-D265 PolarHBondContact OG1-OD2 3.34Å; D265-Q267 VanDerWaalsContact C-N 3.34Å; D265-R268 PolarHBondContact O-N 2.92Å; D265-R268 IonicContact OD1-CZ 3.38Å; D265-R268 IonicContact OD1-NH1 3.24Å; D265-R268 PolarHBondContact OD1-NH1 3.23Å; D265-R268 IonicContact OD1-NH2 2.69Å; D265-Q269 VanDerWaalsContact O-CG 3.32Å; D265-Q269 WeakPolarHBondContact O-CG 3.42Å; D265-Q269 PolarHBondContact O-N 3Å |
| 266 | Q | 75.4 | Confident | 71.6 | Confident | 112 Ų | 112 | 98.6 Ų | 98.6 | 52% | 0.523 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 170.7 | -68.8 | -178.3 | -13.3 | 0 | 0 | 111 | A261 T262 Q269 L270 | A261-Q266 HydrophobicContact CB-CG 4.18Å; T262-Q266 PolarHBondContact O-N 3.45Å; Q266-Q269 PolarHBondContact O-N 3.29Å; Q266-L270 VanDerWaalsContact O-CG 3.3Å; Q266-L270 WeakPolarHBondContact O-CG 3.32Å; Q266-L270 PolarHBondContact O-N 2.92Å |
| 267 | Q | 82.1 | Confident | 73.7 | Confident | 93 Ų | 93 | 98.9 Ų | 98.9 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 175.3 | -176.7 | 63.4 | 19.4 | 0 | 0 | 112.1 | A263 A264 D265 Q269 L270 E271 | A263-Q267 WeakPolarHBondContact O-CB 3.49Å; A263-Q267 PolarHBondContact O-N 3.01Å; A264-Q267 PolarHBondContact O-N 2.94Å; D265-Q267 VanDerWaalsContact C-N 3.34Å; Q267-Q269 VanDerWaalsContact C-N 3.33Å; Q267-Q269 PolarHBondContact O-N 3.43Å; Q267-L270 PolarHBondContact O-N 2.85Å; Q267-E271 WeakPolarHBondContact CG-OE1 3.3Å; Q267-E271 PolarHBondContact NE2-OE1 3.32Å; Q267-E271 WeakPolarHBondContact O-CG 3.45Å; Q267-E271 PolarHBondContact O-N 2.72Å |
| 268 | R | 84.9 | Confident | 76.2 | Confident | 152 Ų | 152 | 96.3 Ų | 96.3 | 57% | 0.574 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.8 | -39.4 | 175.1 | -73.8 | -179.6 | -150.4 | 143.7 | 10.5 | 112.3 | A264 D265 E271 E272 | A264-R268 VanDerWaalsContact O-CG 3.3Å; A264-R268 WeakPolarHBondContact O-CG 3.49Å; A264-R268 PolarHBondContact O-N 3.42Å; D265-R268 PolarHBondContact O-N 2.92Å; D265-R268 IonicContact OD1-CZ 3.38Å; D265-R268 IonicContact OD1-NH1 3.24Å; D265-R268 PolarHBondContact OD1-NH1 3.23Å; D265-R268 IonicContact OD1-NH2 2.69Å; R268-E271 PolarHBondContact O-N 2.93Å; R268-E272 WeakPolarHBondContact O-CB 3.48Å; R268-E272 PolarHBondContact O-N 3.23Å |
| 269 | Q | 85.3 | Confident | 78.7 | Confident | 111 Ų | 111 | 90.6 Ų | 90.6 | 52% | 0.519 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 175.7 | -74.6 | 177 | -0.4 | 0 | 0 | 111.7 | D265 Q266 Q267 E272 Q273 | D265-Q269 VanDerWaalsContact O-CG 3.32Å; D265-Q269 WeakPolarHBondContact O-CG 3.42Å; D265-Q269 PolarHBondContact O-N 3Å; Q266-Q269 PolarHBondContact O-N 3.29Å; Q267-Q269 VanDerWaalsContact C-N 3.33Å; Q267-Q269 PolarHBondContact O-N 3.43Å; Q269-E272 PolarHBondContact O-N 3.44Å; Q269-Q273 WeakPolarHBondContact O-CB 3.24Å; Q269-Q273 VanDerWaalsContact O-CG 3.28Å; Q269-Q273 WeakPolarHBondContact O-CG 3.38Å; Q269-Q273 PolarHBondContact O-N 3.15Å |
| 270 | L | 89 | Confident | 81.1 | Confident | 83 Ų | 83 | 90.4 Ų | 90.4 | 44% | 0.435 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 174.8 | -70.9 | 170.2 | 0 | 0 | 0 | 111.3 | Q266 Q267 Q273 Q274 | Q266-L270 VanDerWaalsContact O-CG 3.3Å; Q266-L270 WeakPolarHBondContact O-CG 3.32Å; Q266-L270 PolarHBondContact O-N 2.92Å; Q267-L270 PolarHBondContact O-N 2.85Å; L270-Q273 PolarHBondContact O-N 2.82Å; L270-Q274 WeakPolarHBondContact O-CB 3.39Å; L270-Q274 VanDerWaalsContact O-CG 3.24Å; L270-Q274 WeakPolarHBondContact O-CG 3.38Å; L270-Q274 PolarHBondContact O-N 3.1Å |
| 271 | E | 90.3 | Very high | 83.4 | Confident | 88 Ų | 88 | 88.1 Ų | 88.1 | 41% | 0.411 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 176.2 | -73.9 | 170.8 | -169.3 | 0 | 0 | 112.1 | Q267 R268 Q274 R275 | Q267-E271 WeakPolarHBondContact CG-OE1 3.3Å; Q267-E271 PolarHBondContact NE2-OE1 3.32Å; Q267-E271 WeakPolarHBondContact O-CG 3.45Å; Q267-E271 PolarHBondContact O-N 2.72Å; R268-E271 PolarHBondContact O-N 2.93Å; E271-Q274 PolarHBondContact O-N 3.07Å; E271-R275 WeakPolarHBondContact O-CG 3.38Å; E271-R275 PolarHBondContact O-N 3.3Å |
| 272 | E | 89.5 | Confident | 85.7 | Confident | 81 Ų | 81 | 86.9 Ų | 86.9 | 38% | 0.379 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 174.6 | -168 | -173.4 | 149.5 | 0 | 0 | 112 | R268 Q269 R275 K276 | R268-E272 WeakPolarHBondContact O-CB 3.48Å; R268-E272 PolarHBondContact O-N 3.23Å; Q269-E272 PolarHBondContact O-N 3.44Å; E272-R275 PolarHBondContact O-N 2.98Å; E272-K276 HydrophobicContact CG-CD 4.48Å; E272-K276 WeakPolarHBondContact O-CG 3.38Å; E272-K276 PolarHBondContact O-N 3.47Å; E272-K276 WeakPolarHBondContact OE1-CE 3.29Å; E272-K276 IonicContact OE1-NZ 3.75Å; E272-K276 PolarHBondContact OE1-NZ 3.45Å |
| 273 | Q | 90.7 | Very high | 87.3 | Confident | 109 Ų | 109 | 85.5 Ų | 85.5 | 51% | 0.509 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 174.4 | -74.4 | 176.8 | 10.5 | 0 | 0 | 111.8 | Q269 L270 K276 Q277 | Q269-Q273 WeakPolarHBondContact O-CB 3.24Å; Q269-Q273 VanDerWaalsContact O-CG 3.28Å; Q269-Q273 WeakPolarHBondContact O-CG 3.38Å; Q269-Q273 PolarHBondContact O-N 3.15Å; L270-Q273 PolarHBondContact O-N 2.82Å; Q273-K276 PolarHBondContact O-N 2.79Å; Q273-Q277 WeakPolarHBondContact O-CG 3.34Å; Q273-Q277 PolarHBondContact O-N 3.1Å |
| 274 | Q | 91.9 | Very high | 88.7 | Confident | 113 Ų | 113 | 85.4 Ų | 85.4 | 53% | 0.528 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 175.8 | -74.6 | 172 | 12.2 | 0 | 0 | 111.4 | L270 E271 K276 Q277 E278 | L270-Q274 WeakPolarHBondContact O-CB 3.39Å; L270-Q274 VanDerWaalsContact O-CG 3.24Å; L270-Q274 WeakPolarHBondContact O-CG 3.38Å; L270-Q274 PolarHBondContact O-N 3.1Å; E271-Q274 PolarHBondContact O-N 3.07Å; Q274-K276 VanDerWaalsContact C-N 3.33Å; Q274-K276 PolarHBondContact O-N 3.4Å; Q274-Q277 WeakPolarHBondContact O-CB 3.36Å; Q274-Q277 PolarHBondContact O-N 3.19Å; Q274-Q277 VanDerWaalsContact O-N 3.17Å; Q274-E278 PolarHBondContact O-N 3.39Å |
| 275 | R | 93 | Very high | 90 | Very high | 119 Ų | 119 | 89.1 Ų | 89.1 | 45% | 0.449 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 175.1 | -76.4 | -171.3 | -70.9 | 110.5 | -3.9 | 112.5 | E271 E272 E278 A279 A308 | E271-R275 WeakPolarHBondContact O-CG 3.38Å; E271-R275 PolarHBondContact O-N 3.3Å; E272-R275 PolarHBondContact O-N 2.98Å; R275-E278 PolarHBondContact O-N 2.97Å; R275-A279 WeakPolarHBondContact O-CB 3.48Å; R275-A279 PolarHBondContact O-N 2.9Å; R275-A308 PolarHBondContact NH1-O 2.98Å |
| 276 | K | 91.9 | Very high | 91.1 | Very high | 89 Ų | 89 | 87.2 Ų | 87.2 | 39% | 0.387 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 173.9 | -75.7 | 169.5 | 170.2 | 165.9 | 0 | 112 | E272 Q273 Q274 A279 V280 | E272-K276 HydrophobicContact CG-CD 4.48Å; E272-K276 WeakPolarHBondContact O-CG 3.38Å; E272-K276 PolarHBondContact O-N 3.47Å; E272-K276 WeakPolarHBondContact OE1-CE 3.29Å; E272-K276 IonicContact OE1-NZ 3.75Å; E272-K276 PolarHBondContact OE1-NZ 3.45Å; Q273-K276 PolarHBondContact O-N 2.79Å; Q274-K276 VanDerWaalsContact C-N 3.33Å; Q274-K276 PolarHBondContact O-N 3.4Å; K276-A279 PolarHBondContact O-N 2.75Å; K276-V280 WeakPolarHBondContact O-CG2 3.44Å; K276-V280 PolarHBondContact O-N 2.69Å; K276-V280 VanDerWaalsContact O-N 3.13Å |
| 277 | Q | 92.5 | Very high | 92.1 | Very high | 132 Ų | 132 | 84 Ų | 84 | 62% | 0.617 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.1 | -41.5 | 176.2 | -72.8 | 175.1 | 5.5 | 0 | 0 | 112 | Q273 Q274 V280 M281 | Q273-Q277 WeakPolarHBondContact O-CG 3.34Å; Q273-Q277 PolarHBondContact O-N 3.1Å; Q274-Q277 WeakPolarHBondContact O-CB 3.36Å; Q274-Q277 PolarHBondContact O-N 3.19Å; Q274-Q277 VanDerWaalsContact O-N 3.17Å; Q277-V280 PolarHBondContact O-N 3.42Å; Q277-M281 PolarHBondContact O-N 3.42Å |
| 278 | E | 93.4 | Very high | 92.8 | Very high | 99 Ų | 99 | 81.6 Ų | 81.6 | 46% | 0.463 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 175 | -176.3 | 173.4 | -168.6 | 0 | 0 | 111.3 | Q274 R275 V280 M281 Q282 A308 | Q274-E278 PolarHBondContact O-N 3.39Å; R275-E278 PolarHBondContact O-N 2.97Å; E278-V280 VanDerWaalsContact C-N 3.29Å; E278-V280 PolarHBondContact O-N 3.43Å; E278-M281 WeakPolarHBondContact O-CB 3.37Å; E278-M281 PolarHBondContact O-N 3.22Å; E278-M281 VanDerWaalsContact O-N 3.15Å; E278-Q282 HydrophobicContact CG-CG 4.46Å; E278-Q282 WeakPolarHBondContact O-CG 3.5Å; E278-Q282 PolarHBondContact O-N 3.1Å; E278-A308 HydrophobicContact CB-CB 4.48Å; E278-A308 HydrophobicContact CG-CB 4.46Å |
| 279 | A | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.1 | -40.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R275 K276 K283 G305 A308 D309 L315 | R275-A279 WeakPolarHBondContact O-CB 3.48Å; R275-A279 PolarHBondContact O-N 2.9Å; K276-A279 PolarHBondContact O-N 2.75Å; A279-K283 WeakPolarHBondContact O-CB 3.44Å; A279-K283 PolarHBondContact O-N 3.45Å; A279-G305 WeakPolarHBondContact CB-O 3.28Å; A279-A308 HydrophobicContact CB-CB 4.07Å; A279-D309 HydrophobicContact CB-CB 3.47Å; A279-D309 VanDerWaalsContact CB-CB 3.47Å; A279-L315 HydrophobicContact CB-CD1 4.28Å |
| 280 | V | 94.6 | Very high | 93.9 | Very high | 62 Ų | 62 | 74.2 Ų | 74.2 | 38% | 0.376 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 175.4 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | K276 Q277 E278 Q282 K283 D284 | K276-V280 WeakPolarHBondContact O-CG2 3.44Å; K276-V280 PolarHBondContact O-N 2.69Å; K276-V280 VanDerWaalsContact O-N 3.13Å; Q277-V280 PolarHBondContact O-N 3.42Å; E278-V280 VanDerWaalsContact C-N 3.29Å; E278-V280 PolarHBondContact O-N 3.43Å; V280-Q282 PolarHBondContact O-N 2.86Å; V280-K283 WeakPolarHBondContact O-CB 3.22Å; V280-K283 PolarHBondContact O-N 3.36Å; V280-D284 PolarHBondContact O-N 3.32Å |
| 281 | M | 95 | Very high | 94.2 | Very high | 125 Ų | 125 | 79 Ų | 79 | 62% | 0.616 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.6 | -46.3 | 176.6 | -173.5 | -152.6 | -63.3 | 0 | 0 | 111.5 | Q277 E278 K283 D284 R285 | Q277-M281 PolarHBondContact O-N 3.42Å; E278-M281 WeakPolarHBondContact O-CB 3.37Å; E278-M281 PolarHBondContact O-N 3.22Å; E278-M281 VanDerWaalsContact O-N 3.15Å; M281-K283 VanDerWaalsContact C-N 3.33Å; M281-K283 PolarHBondContact O-N 2.88Å; M281-D284 PolarHBondContact O-N 2.97Å; M281-R285 PolarHBondContact O-N 2.97Å |
| 282 | Q | 95.6 | Very high | 94.5 | Very high | 19 Ų | 19 | 80 Ų | 80 | 9% | 0.089 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 178.6 | -66.1 | -59.3 | -16.4 | 0 | 0 | 112 | E278 V280 R285 G286 C301 R304 | E278-Q282 HydrophobicContact CG-CG 4.46Å; E278-Q282 WeakPolarHBondContact O-CG 3.5Å; E278-Q282 PolarHBondContact O-N 3.1Å; V280-Q282 PolarHBondContact O-N 2.86Å; Q282-R285 PolarHBondContact O-N 3.38Å; Q282-G286 PolarHBondContact O-N 3.37Å; Q282-C301 WeakPolarHBondContact CB-O 3.37Å; Q282-R304 HydrophobicContact CG-CB 4.32Å |
| 283 | K | 96.3 | Very high | 94.7 | Very high | 38 Ų | 38 | 77.8 Ų | 77.8 | 17% | 0.165 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.3 | -47.7 | 172.1 | -178.1 | -147.6 | 68.8 | 179.4 | 0 | 111.2 | A279 V280 M281 G286 N287 L315 | A279-K283 WeakPolarHBondContact O-CB 3.44Å; A279-K283 PolarHBondContact O-N 3.45Å; V280-K283 WeakPolarHBondContact O-CB 3.22Å; V280-K283 PolarHBondContact O-N 3.36Å; M281-K283 VanDerWaalsContact C-N 3.33Å; M281-K283 PolarHBondContact O-N 2.88Å; K283-G286 PolarHBondContact O-N 3.47Å; K283-N287 PolarHBondContact O-N 2.79Å; K283-N287 PolarHBondContact O-ND2 2.98Å; K283-L315 HydrophobicContact CB-CD2 3.62Å; K283-L315 HydrophobicContact CG-CD2 4.03Å |
| 284 | D | 95.4 | Very high | 94.9 | Very high | 80 Ų | 80 | 77.8 Ų | 77.8 | 43% | 0.428 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68 | -37.7 | -178.8 | -68 | -26.9 | 0 | 0 | 0 | 112 | V280 M281 N287 A288 | V280-D284 PolarHBondContact O-N 3.32Å; M281-D284 PolarHBondContact O-N 2.97Å; D284-N287 WeakPolarHBondContact O-CB 3.32Å; D284-N287 PolarHBondContact O-N 3.22Å; D284-A288 PolarHBondContact O-N 3.15Å |
| 285 | R | 95.2 | Very high | 95.2 | Very high | 126 Ų | 126 | 75.1 Ų | 75.1 | 48% | 0.475 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 171.6 | -171.4 | 178.1 | -173.9 | 170.3 | 2 | 112.2 | M281 Q282 N287 A288 Y289 | M281-R285 PolarHBondContact O-N 2.97Å; Q282-R285 PolarHBondContact O-N 3.38Å; R285-N287 VanDerWaalsContact C-N 3.3Å; R285-N287 PolarHBondContact O-N 2.92Å; R285-A288 WeakPolarHBondContact O-CB 3.28Å; R285-A288 PolarHBondContact O-N 3Å; R285-Y289 HydrophobicContact CG-CD2 4.21Å; R285-Y289 HydrophobicContact CG-CE2 3.84Å; R285-Y289 PolarHBondContact NH2-OH 3.07Å; R285-Y289 WeakPolarHBondContact O-CD2 3.44Å; R285-Y289 PolarHBondContact O-N 2.67Å; R285-Y289 VanDerWaalsContact O-N 3.09Å |
| 286 | G | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q282 K283 A288 Y289 F290 A298 Y302 | Q282-G286 PolarHBondContact O-N 3.37Å; K283-G286 PolarHBondContact O-N 3.47Å; G286-A288 VanDerWaalsContact C-N 3.32Å; G286-A288 PolarHBondContact O-N 2.69Å; G286-Y289 PolarHBondContact O-N 3.13Å; G286-F290 WeakPolarHBondContact O-CB 3.09Å; G286-F290 PolarHBondContact O-N 3.49Å; G286-A298 WeakPolarHBondContact O-CB 3.02Å; G286-Y302 PolarHBondContact O-OH 2.91Å |
| 287 | N | 95.8 | Very high | 95.5 | Very high | 44 Ų | 44 | 71.9 Ų | 71.9 | 24% | 0.235 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.7 | -36.6 | 175.2 | -70.6 | -28.9 | 0 | 0 | 0 | 112 | K283 D284 R285 F290 K291 Y302 N318 | K283-N287 PolarHBondContact O-N 2.79Å; K283-N287 PolarHBondContact O-ND2 2.98Å; D284-N287 WeakPolarHBondContact O-CB 3.32Å; D284-N287 PolarHBondContact O-N 3.22Å; R285-N287 VanDerWaalsContact C-N 3.3Å; R285-N287 PolarHBondContact O-N 2.92Å; N287-F290 PolarHBondContact O-N 3.05Å; N287-K291 WeakPolarHBondContact O-CG 3.44Å; N287-K291 PolarHBondContact O-N 3.39Å; N287-K291 VanDerWaalsContact O-N 3.08Å; N287-Y302 WeakPolarHBondContact CA-OH 3.35Å; N287-Y302 PolarHBondContact N-OH 3.49Å; N287-Y302 PolarHBondContact OD1-OH 3.24Å; N287-N318 PolarHBondContact OD1-ND2 2.6Å |
| 288 | A | 96.3 | Very high | 95.7 | Very high | 44 Ų | 44 | 65.6 Ų | 65.6 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.8 | -50.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D284 R285 G286 F290 K291 E292 | D284-A288 PolarHBondContact O-N 3.15Å; R285-A288 WeakPolarHBondContact O-CB 3.28Å; R285-A288 PolarHBondContact O-N 3Å; G286-A288 VanDerWaalsContact C-N 3.32Å; G286-A288 PolarHBondContact O-N 2.69Å; A288-F290 VanDerWaalsContact C-N 3.29Å; A288-F290 PolarHBondContact O-N 3.24Å; A288-K291 WeakPolarHBondContact O-CB 3.47Å; A288-K291 PolarHBondContact O-N 3.2Å; A288-K291 VanDerWaalsContact O-N 3.12Å; A288-E292 PolarHBondContact O-N 2.73Å |
| 289 | Y | 97.4 | Very high | 95.9 | Very high | 56 Ų | 56 | 61.7 Ų | 61.7 | 22% | 0.22 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.3 | -35.4 | 175.6 | -71.2 | -49.2 | 0 | 0 | 0 | 113.2 | R285 G286 K291 E292 G293 K294 A297 C301 | R285-Y289 HydrophobicContact CG-CD2 4.21Å; R285-Y289 HydrophobicContact CG-CE2 3.84Å; R285-Y289 PolarHBondContact NH2-OH 3.07Å; R285-Y289 WeakPolarHBondContact O-CD2 3.44Å; R285-Y289 PolarHBondContact O-N 2.67Å; R285-Y289 VanDerWaalsContact O-N 3.09Å; G286-Y289 PolarHBondContact O-N 3.13Å; Y289-K291 VanDerWaalsContact C-N 3.32Å; Y289-K291 PolarHBondContact O-N 2.96Å; Y289-E292 PolarHBondContact O-N 3.33Å; Y289-G293 PolarHBondContact O-N 2.89Å; Y289-G293 VanDerWaalsContact O-N 3.13Å; Y289-K294 HydrophobicContact CD1-CD 4.23Å; Y289-K294 PolarHBondContact O-N 3.25Å; Y289-A297 HydrophobicContact CD1-CB 4.46Å; Y289-A297 HydrophobicContact CD2-CB 4.13Å; Y289-A297 HydrophobicContact CE2-CB 4.42Å; Y289-A297 HydrophobicContact CG-CB 4.13Å; Y289-C301 VanDerWaalsContact CE2-SG 3.59Å |
| 290 | F | 96.6 | Very high | 96 | Very high | 51 Ų | 51 | 67.3 Ų | 67.3 | 22% | 0.224 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 175.2 | -172.5 | -84.8 | 0 | 0 | 0 | 111.8 | G286 N287 A288 E292 G293 Y295 A298 M321 A322 K325 | G286-F290 WeakPolarHBondContact O-CB 3.09Å; G286-F290 PolarHBondContact O-N 3.49Å; N287-F290 PolarHBondContact O-N 3.05Å; A288-F290 VanDerWaalsContact C-N 3.29Å; A288-F290 PolarHBondContact O-N 3.24Å; F290-E292 VanDerWaalsContact C-N 3.34Å; F290-G293 PolarHBondContact O-N 3.15Å; F290-Y295 AromaticContact CD2-CD1 3.65Å; F290-Y295 HydrophobicContact CD2-CD1 3.65Å; F290-Y295 AromaticContact CD2-CE1 3.86Å; F290-Y295 HydrophobicContact CD2-CE1 3.86Å; F290-Y295 HydrophobicContact CE1-CE1 4.42Å; F290-Y295 AromaticContact CE2-CD1 3.75Å; F290-Y295 HydrophobicContact CE2-CD1 3.75Å; F290-Y295 AromaticContact CE2-CE1 3.75Å; F290-Y295 HydrophobicContact CE2-CE1 3.75Å; F290-Y295 HydrophobicContact CG-CD1 4.32Å; F290-Y295 HydrophobicContact CG-CE1 4.24Å; F290-Y295 HydrophobicContact CZ-CD1 4.49Å; F290-Y295 HydrophobicContact CZ-CE1 4.04Å; F290-A298 HydrophobicContact CB-CB 4.26Å; F290-M321 HydrophobicContact CE2-CG 3.86Å; F290-M321 HydrophobicContact CZ-CG 3.6Å; F290-A322 HydrophobicContact CD2-CB 4.14Å; F290-A322 HydrophobicContact CE2-CB 4.21Å; F290-K325 HydrophobicContact CE2-CG 4.11Å; F290-K325 HydrophobicContact CZ-CG 4.01Å |
| 291 | K | 95.6 | Very high | 96.1 | Very high | 183 Ų | 183 | 64.7 Ų | 64.7 | 80% | 0.796 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -67.5 | -34.4 | 174.7 | -72.4 | 173.6 | -178.9 | 179.7 | 0 | 112.4 | N287 A288 Y289 G293 | N287-K291 WeakPolarHBondContact O-CG 3.44Å; N287-K291 PolarHBondContact O-N 3.39Å; N287-K291 VanDerWaalsContact O-N 3.08Å; A288-K291 WeakPolarHBondContact O-CB 3.47Å; A288-K291 PolarHBondContact O-N 3.2Å; A288-K291 VanDerWaalsContact O-N 3.12Å; Y289-K291 VanDerWaalsContact C-N 3.32Å; Y289-K291 PolarHBondContact O-N 2.96Å; K291-G293 PolarHBondContact O-N 2.82Å |
| 292 | E | 95.4 | Very high | 96.2 | Very high | 111 Ų | 111 | 58.9 Ų | 58.9 | 52% | 0.519 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -10.5 | 173.1 | -68.3 | 176.4 | -156 | 0 | 0 | 113.5 | A288 Y289 F290 K294 | A288-E292 PolarHBondContact O-N 2.73Å; Y289-E292 PolarHBondContact O-N 3.33Å; F290-E292 VanDerWaalsContact C-N 3.34Å; E292-K294 VanDerWaalsContact C-N 3.33Å; E292-K294 HydrophobicContact CB-CG 4.46Å; E292-K294 WeakPolarHBondContact OE2-CE 3.47Å; E292-K294 IonicContact OE2-NZ 3.15Å; E292-K294 PolarHBondContact OE2-NZ 3.3Å |
| 293 | G | 93.8 | Very high | 96.2 | Very high | 33 Ų | 33 | 59.3 Ų | 59.3 | 34% | 0.34 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 7.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y289 F290 K291 Y295 | Y289-G293 PolarHBondContact O-N 2.89Å; Y289-G293 VanDerWaalsContact O-N 3.13Å; F290-G293 PolarHBondContact O-N 3.15Å; K291-G293 PolarHBondContact O-N 2.82Å; G293-Y295 WeakPolarHBondContact O-CD2 3.39Å; G293-Y295 PolarHBondContact O-N 3.24Å |
| 294 | K | 96.6 | Very high | 96.2 | Very high | 110 Ų | 110 | 63.9 Ų | 63.9 | 48% | 0.478 | 31% | 0.308 | S | S | . | . | trans | -87.4 | 77.3 | 175.9 | -64.6 | 174.7 | -172.4 | 152.8 | 0 | 109.9 | Y289 E292 A297 A298 | Y289-K294 HydrophobicContact CD1-CD 4.23Å; Y289-K294 PolarHBondContact O-N 3.25Å; E292-K294 VanDerWaalsContact C-N 3.33Å; E292-K294 HydrophobicContact CB-CG 4.46Å; E292-K294 WeakPolarHBondContact OE2-CE 3.47Å; E292-K294 IonicContact OE2-NZ 3.15Å; E292-K294 PolarHBondContact OE2-NZ 3.3Å; K294-A297 HydrophobicContact CB-CB 4.29Å; K294-A298 PolarHBondContact O-N 2.87Å; K294-A298 VanDerWaalsContact O-N 3.16Å | ||
| 295 | Y | 96.8 | Very high | 96.2 | Very high | 57 Ų | 57 | 60.1 Ų | 60.1 | 22% | 0.224 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.2 | -34.6 | -170.3 | -56.9 | -57.4 | 0 | 0 | 0 | 113.6 | F290 G293 A298 I299 K325 L326 | F290-Y295 AromaticContact CD2-CD1 3.65Å; F290-Y295 HydrophobicContact CD2-CD1 3.65Å; F290-Y295 AromaticContact CD2-CE1 3.86Å; F290-Y295 HydrophobicContact CD2-CE1 3.86Å; F290-Y295 HydrophobicContact CE1-CE1 4.42Å; F290-Y295 AromaticContact CE2-CD1 3.75Å; F290-Y295 HydrophobicContact CE2-CD1 3.75Å; F290-Y295 AromaticContact CE2-CE1 3.75Å; F290-Y295 HydrophobicContact CE2-CE1 3.75Å; F290-Y295 HydrophobicContact CG-CD1 4.32Å; F290-Y295 HydrophobicContact CG-CE1 4.24Å; F290-Y295 HydrophobicContact CZ-CD1 4.49Å; F290-Y295 HydrophobicContact CZ-CE1 4.04Å; G293-Y295 WeakPolarHBondContact O-CD2 3.39Å; G293-Y295 PolarHBondContact O-N 3.24Å; Y295-A298 WeakPolarHBondContact O-CB 3.38Å; Y295-A298 PolarHBondContact O-N 3.17Å; Y295-I299 WeakPolarHBondContact O-CD1 3.49Å; Y295-I299 VanDerWaalsContact O-CG1 3.3Å; Y295-I299 WeakPolarHBondContact O-CG1 3.48Å; Y295-I299 PolarHBondContact O-N 3.35Å; Y295-K325 HydrophobicContact CD1-CB 4.07Å; Y295-K325 HydrophobicContact CD1-CG 4.36Å; Y295-K325 HydrophobicContact CD2-CB 3.87Å; Y295-K325 HydrophobicContact CE1-CB 4.03Å; Y295-K325 HydrophobicContact CE1-CG 3.97Å; Y295-K325 HydrophobicContact CE2-CB 3.81Å; Y295-K325 HydrophobicContact CE2-CG 4.41Å; Y295-K325 HydrophobicContact CG-CB 4Å; Y295-L326 HydrophobicContact CD2-CD2 3.97Å; Y295-L326 HydrophobicContact CD2-CG 4.46Å; Y295-L326 HydrophobicContact CG-CD2 4.39Å; Y295-L326 HydrophobicContact CG-CG 4.48Å |
| 296 | E | 96.3 | Very high | 96.2 | Very high | 108 Ų | 108 | 56.3 Ų | 56.3 | 51% | 0.505 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 177.1 | -67.2 | 78.2 | -176.4 | 0 | 0 | 111.5 | A298 I299 E300 L326 | E296-A298 VanDerWaalsContact C-N 3.26Å; E296-A298 PolarHBondContact O-N 2.91Å; E296-I299 WeakPolarHBondContact O-CB 2.95Å; E296-I299 PolarHBondContact O-N 3.34Å; E296-I299 VanDerWaalsContact O-N 3.13Å; E296-E300 PolarHBondContact O-N 2.93Å; E296-E300 VanDerWaalsContact O-N 3.13Å; E296-L326 HydrophobicContact CG-CD1 3.95Å; E296-L326 WeakPolarHBondContact OE1-CD1 3.42Å; E296-L326 WeakPolarHBondContact OE1-CD2 3.4Å |
| 297 | A | 95.8 | Very high | 96.1 | Very high | 31 Ų | 31 | 64.1 Ų | 64.1 | 26% | 0.256 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.5 | -34.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y289 K294 E300 C301 | Y289-A297 HydrophobicContact CD1-CB 4.46Å; Y289-A297 HydrophobicContact CD2-CB 4.13Å; Y289-A297 HydrophobicContact CE2-CB 4.42Å; Y289-A297 HydrophobicContact CG-CB 4.13Å; K294-A297 HydrophobicContact CB-CB 4.29Å; A297-E300 PolarHBondContact O-N 3.23Å; A297-C301 PolarHBondContact O-N 3.37Å; A297-C301 PolarHBondContact O-SG 2.79Å |
| 298 | A | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.6 | -42 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G286 F290 K294 Y295 E296 E300 C301 Y302 | G286-A298 WeakPolarHBondContact O-CB 3.02Å; F290-A298 HydrophobicContact CB-CB 4.26Å; K294-A298 PolarHBondContact O-N 2.87Å; K294-A298 VanDerWaalsContact O-N 3.16Å; Y295-A298 WeakPolarHBondContact O-CB 3.38Å; Y295-A298 PolarHBondContact O-N 3.17Å; E296-A298 VanDerWaalsContact C-N 3.26Å; E296-A298 PolarHBondContact O-N 2.91Å; A298-E300 VanDerWaalsContact C-N 3.33Å; A298-E300 PolarHBondContact O-N 2.98Å; A298-C301 PolarHBondContact O-N 2.95Å; A298-Y302 HydrophobicContact CB-CD2 4.46Å; A298-Y302 HydrophobicContact CB-CE2 3.94Å; A298-Y302 WeakPolarHBondContact O-CD2 3.37Å; A298-Y302 PolarHBondContact O-N 3.28Å |
| 299 | I | 97.1 | Very high | 95.7 | Very high | 17 Ų | 17 | 61.5 Ų | 61.5 | 9% | 0.087 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 177.1 | -71.2 | 158.2 | 0 | 0 | 0 | 111.5 | Y295 E296 Y302 S303 R319 A322 F323 L326 | Y295-I299 WeakPolarHBondContact O-CD1 3.49Å; Y295-I299 VanDerWaalsContact O-CG1 3.3Å; Y295-I299 WeakPolarHBondContact O-CG1 3.48Å; Y295-I299 PolarHBondContact O-N 3.35Å; E296-I299 WeakPolarHBondContact O-CB 2.95Å; E296-I299 PolarHBondContact O-N 3.34Å; E296-I299 VanDerWaalsContact O-N 3.13Å; I299-Y302 PolarHBondContact O-N 3.37Å; I299-S303 WeakPolarHBondContact O-CB 3.35Å; I299-S303 PolarHBondContact O-N 3.01Å; I299-S303 PolarHBondContact O-OG 3.3Å; I299-R319 HydrophobicContact CB-CG 4.39Å; I299-R319 HydrophobicContact CG1-CG 4.17Å; I299-R319 HydrophobicContact CG2-CG 4.08Å; I299-A322 HydrophobicContact CD1-CB 4.05Å; I299-A322 HydrophobicContact CG1-CB 3.62Å; I299-F323 HydrophobicContact CD1-CD1 3.58Å; I299-F323 HydrophobicContact CD1-CE1 3.52Å; I299-F323 HydrophobicContact CD1-CG 4.36Å; I299-F323 HydrophobicContact CD1-CZ 4.28Å; I299-F323 HydrophobicContact CG1-CD1 4.34Å; I299-F323 HydrophobicContact CG1-CE1 4.11Å; I299-F323 HydrophobicContact CG1-CZ 4.39Å; I299-F323 HydrophobicContact CG2-CE1 3.95Å; I299-F323 HydrophobicContact CG2-CZ 3.74Å; I299-L326 HydrophobicContact CD1-CD1 3.58Å |
| 300 | E | 96.6 | Very high | 95.3 | Very high | 118 Ų | 118 | 61.3 Ų | 61.3 | 55% | 0.551 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.8 | -44.6 | 175.8 | -69.3 | -177.6 | -175.6 | 0 | 0 | 111.7 | E296 A297 A298 S303 R304 | E296-E300 PolarHBondContact O-N 2.93Å; E296-E300 VanDerWaalsContact O-N 3.13Å; A297-E300 PolarHBondContact O-N 3.23Å; A298-E300 VanDerWaalsContact C-N 3.33Å; A298-E300 PolarHBondContact O-N 2.98Å; E300-S303 PolarHBondContact O-N 3.43Å; E300-R304 WeakPolarHBondContact O-CG 3.38Å; E300-R304 PolarHBondContact O-N 3.41Å |
| 301 | C | 96.6 | Very high | 94.9 | Very high | 8 Ų | 8 | 66.2 Ų | 66.2 | 5% | 0.054 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 177.3 | -64.5 | 0 | 0 | 0 | 0 | 111.4 | Q282 Y289 A297 A298 S303 R304 G305 | Q282-C301 WeakPolarHBondContact CB-O 3.37Å; Y289-C301 VanDerWaalsContact CE2-SG 3.59Å; A297-C301 PolarHBondContact O-N 3.37Å; A297-C301 PolarHBondContact O-SG 2.79Å; A298-C301 PolarHBondContact O-N 2.95Å; C301-S303 VanDerWaalsContact C-N 3.33Å; C301-S303 PolarHBondContact O-N 3.47Å; C301-R304 PolarHBondContact O-N 3.38Å; C301-G305 PolarHBondContact O-N 3.45Å |
| 302 | Y | 97.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 177 | -62.6 | -47.8 | 0 | 0 | 0 | 112.4 | G286 N287 A298 I299 G305 M306 L315 N318 R319 | G286-Y302 PolarHBondContact O-OH 2.91Å; N287-Y302 WeakPolarHBondContact CA-OH 3.35Å; N287-Y302 PolarHBondContact N-OH 3.49Å; N287-Y302 PolarHBondContact OD1-OH 3.24Å; A298-Y302 HydrophobicContact CB-CD2 4.46Å; A298-Y302 HydrophobicContact CB-CE2 3.94Å; A298-Y302 WeakPolarHBondContact O-CD2 3.37Å; A298-Y302 PolarHBondContact O-N 3.28Å; I299-Y302 PolarHBondContact O-N 3.37Å; Y302-G305 PolarHBondContact O-N 3.11Å; Y302-M306 WeakPolarHBondContact O-CG 3.41Å; Y302-M306 PolarHBondContact O-N 3.31Å; Y302-L315 HydrophobicContact CD1-CD2 4.03Å; Y302-N318 HydrophobicContact CD1-CB 4.37Å; Y302-N318 HydrophobicContact CE1-CB 3.91Å; Y302-N318 HydrophobicContact CE2-CB 4.1Å; Y302-R319 HydrophobicContact CD2-CB 4.02Å; Y302-R319 HydrophobicContact CD2-CG 4.39Å; Y302-R319 HydrophobicContact CG-CB 4.26Å |
| 303 | S | 96.6 | Very high | 94.6 | Very high | 28 Ų | 28 | 54.8 Ų | 54.8 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.6 | -45 | 176.9 | -56 | 0 | 0 | 0 | 0 | 111.6 | I299 E300 C301 G305 M306 E307 R319 | I299-S303 WeakPolarHBondContact O-CB 3.35Å; I299-S303 PolarHBondContact O-N 3.01Å; I299-S303 PolarHBondContact O-OG 3.3Å; E300-S303 PolarHBondContact O-N 3.43Å; C301-S303 VanDerWaalsContact C-N 3.33Å; C301-S303 PolarHBondContact O-N 3.47Å; S303-G305 VanDerWaalsContact C-N 3.29Å; S303-G305 PolarHBondContact O-N 2.97Å; S303-M306 PolarHBondContact O-N 3.39Å; S303-M306 VanDerWaalsContact O-N 3.12Å; S303-E307 WeakPolarHBondContact O-CG 3.35Å; S303-E307 PolarHBondContact O-N 2.97Å; S303-R319 WeakPolarHBondContact OG-CD 3.1Å; S303-R319 PolarHBondContact OG-NH1 3.17Å |
| 304 | R | 95.9 | Very high | 94.7 | Very high | 135 Ų | 135 | 56.7 Ų | 56.7 | 51% | 0.509 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.8 | -38.1 | 172.5 | -69.6 | 180 | -173.8 | 177.1 | 5 | 112.4 | Q282 E300 C301 M306 E307 A308 | Q282-R304 HydrophobicContact CG-CB 4.32Å; E300-R304 WeakPolarHBondContact O-CG 3.38Å; E300-R304 PolarHBondContact O-N 3.41Å; C301-R304 PolarHBondContact O-N 3.38Å; R304-M306 VanDerWaalsContact C-N 3.32Å; R304-M306 PolarHBondContact O-N 3.06Å; R304-E307 PolarHBondContact O-N 3.12Å; R304-A308 PolarHBondContact O-N 3.25Å |
| 305 | G | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.9 | -40 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A279 C301 Y302 S303 A308 D309 L315 | A279-G305 WeakPolarHBondContact CB-O 3.28Å; C301-G305 PolarHBondContact O-N 3.45Å; Y302-G305 PolarHBondContact O-N 3.11Å; S303-G305 VanDerWaalsContact C-N 3.29Å; S303-G305 PolarHBondContact O-N 2.97Å; G305-A308 PolarHBondContact O-N 3.13Å; G305-D309 PolarHBondContact O-N 2.95Å; G305-L315 WeakPolarHBondContact O-CD1 3.45Å |
| 306 | M | 94.6 | Very high | 94.6 | Very high | 47 Ų | 47 | 48.9 Ų | 48.9 | 23% | 0.232 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71 | -31.8 | 179.9 | -69.3 | 174.5 | 62.6 | 0 | 0 | 112.4 | Y302 S303 R304 A308 D309 G310 L315 P316 | Y302-M306 WeakPolarHBondContact O-CG 3.41Å; Y302-M306 PolarHBondContact O-N 3.31Å; S303-M306 PolarHBondContact O-N 3.39Å; S303-M306 VanDerWaalsContact O-N 3.12Å; R304-M306 VanDerWaalsContact C-N 3.32Å; R304-M306 PolarHBondContact O-N 3.06Å; M306-A308 VanDerWaalsContact C-N 3.29Å; M306-D309 CarbonylContact O-C 3.43Å; M306-G310 PolarHBondContact O-N 2.69Å; M306-L315 HydrophobicContact CG-CB 3.64Å; M306-L315 HydrophobicContact CG-CD1 4.15Å; M306-L315 HydrophobicContact CG-CG 4.49Å; M306-L315 HydrophobicContact SD-CB 4.49Å; M306-P316 HydrophobicContact CE-CB 3.94Å; M306-P316 HydrophobicContact CE-CG 4.5Å; M306-P316 HydrophobicContact SD-CB 4.1Å |
| 307 | E | 93.8 | Very high | 94.6 | Very high | 163 Ų | 163 | 43.7 Ų | 43.7 | 76% | 0.762 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -65 | -34.6 | 172.1 | -70.7 | 169.2 | -169.6 | 0 | 0 | 111.7 | S303 R304 | S303-E307 WeakPolarHBondContact O-CG 3.35Å; S303-E307 PolarHBondContact O-N 2.97Å; R304-E307 PolarHBondContact O-N 3.12Å |
| 308 | A | 92.8 | Very high | 94.6 | Very high | 10 Ų | 10 | 43.5 Ų | 43.5 | 8% | 0.083 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -76.4 | -47.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | R275 E278 A279 R304 G305 M306 | R275-A308 PolarHBondContact NH1-O 2.98Å; E278-A308 HydrophobicContact CB-CB 4.48Å; E278-A308 HydrophobicContact CG-CB 4.46Å; A279-A308 HydrophobicContact CB-CB 4.07Å; R304-A308 PolarHBondContact O-N 3.25Å; G305-A308 PolarHBondContact O-N 3.13Å; M306-A308 VanDerWaalsContact C-N 3.29Å |
| 309 | D | 91.8 | Very high | 94.6 | Very high | 24 Ų | 24 | 45.5 Ų | 45.5 | 13% | 0.128 | 23% | 0.234 | C | C | . | . | trans | -135.3 | 97.1 | 178.2 | -175.2 | 12.3 | 0 | 0 | 0 | 112.2 | A279 G305 M306 M311 | A279-D309 HydrophobicContact CB-CB 3.47Å; A279-D309 VanDerWaalsContact CB-CB 3.47Å; G305-D309 PolarHBondContact O-N 2.95Å; M306-D309 CarbonylContact O-C 3.43Å; D309-M311 PolarHBondContact O-N 2.98Å; D309-M311 PolarHBondContact OD1-N 3.46Å | ||
| 310 | G | 87.9 | Confident | 94.6 | Very high | 52 Ų | 52 | 44.7 Ų | 44.7 | 54% | 0.536 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -8.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | M306 | M306-G310 PolarHBondContact O-N 2.69Š|
| 311 | M | 88.8 | Confident | 94.6 | Very high | 154 Ų | 154 | 41.5 Ų | 41.5 | 76% | 0.759 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -7 | -178.7 | -61.7 | -62.6 | 170.7 | 0 | 0 | 112.8 | D309 V313 L342 | D309-M311 PolarHBondContact O-N 2.98Å; D309-M311 PolarHBondContact OD1-N 3.46Å; M311-V313 PolarHBondContact O-N 2.94Å; M311-L342 HydrophobicContact SD-CD2 4.49Å |
| 312 | N | 91.9 | Very high | 94.6 | Very high | 30 Ų | 30 | 41.1 Ų | 41.1 | 16% | 0.16 | 21% | 0.213 | C | C | . | . | trans | -83.7 | 110.3 | -177.2 | -175.1 | -19.2 | 0 | 0 | 0 | 111.9 | L314 L315 P316 | N312-L314 VanDerWaalsContact C-N 3.27Å; N312-L314 PolarHBondContact O-N 3.47Å; N312-L314 WeakPolarHBondContact OD1-CB 3.33Å; N312-L314 PolarHBondContact OD1-N 3.3Å; N312-L315 HydrophobicContact CB-CD1 4.02Å; N312-L315 HydrophobicContact CB-CG 4.42Å; N312-P316 WeakPolarHBondContact O-CD 3.33Å | ||
| 313 | V | 93.4 | Very high | 94.6 | Very high | 23 Ų | 23 | 41.6 Ų | 41.6 | 14% | 0.139 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -31.9 | -180 | -178.6 | 0 | 0 | 0 | 0 | 113.2 | M311 L315 P316 A317 A339 L342 D343 Y346 | M311-V313 PolarHBondContact O-N 2.94Å; V313-L315 PolarHBondContact O-N 3.24Å; V313-P316 WeakPolarHBondContact O-CD 3.29Å; V313-P316 WeakPolarHBondContact O-CG 3.49Å; V313-A317 WeakPolarHBondContact O-CB 3.42Å; V313-A317 PolarHBondContact O-N 3.41Å; V313-A339 HydrophobicContact CG1-CB 4.24Å; V313-L342 HydrophobicContact CG2-CB 3.71Å; V313-D343 HydrophobicContact CB-CB 4.37Å; V313-D343 HydrophobicContact CG1-CB 4Å; V313-D343 HydrophobicContact CG2-CB 3.46Å; V313-D343 VanDerWaalsContact CG2-CB 3.46Å; V313-Y346 HydrophobicContact CG1-CD1 3.97Å; V313-Y346 HydrophobicContact CG1-CG 3.99Å |
| 314 | L | 94.7 | Very high | 94.6 | Very high | 73 Ų | 73 | 41.3 Ų | 41.3 | 38% | 0.382 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -71.7 | -33.3 | -171.1 | -59.6 | 175.8 | 0 | 0 | 0 | 112.4 | N312 N318 Y346 | N312-L314 VanDerWaalsContact C-N 3.27Å; N312-L314 PolarHBondContact O-N 3.47Å; N312-L314 WeakPolarHBondContact OD1-CB 3.33Å; N312-L314 PolarHBondContact OD1-N 3.3Å; L314-N318 VanDerWaalsContact O-CB 3.32Å; L314-N318 WeakPolarHBondContact O-CB 3.35Å; L314-N318 VanDerWaalsContact O-CG 3.23Å; L314-N318 PolarHBondContact O-N 3.2Å; L314-Y346 HydrophobicContact CD2-CE2 3.92Å |
| 315 | L | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62 | -58.5 | -178.9 | -75 | 171.1 | 0 | 0 | 0 | 113 | A279 K283 Y302 G305 M306 N312 V313 A317 N318 R319 | A279-L315 HydrophobicContact CB-CD1 4.28Å; K283-L315 HydrophobicContact CB-CD2 3.62Å; K283-L315 HydrophobicContact CG-CD2 4.03Å; Y302-L315 HydrophobicContact CD1-CD2 4.03Å; G305-L315 WeakPolarHBondContact O-CD1 3.45Å; M306-L315 HydrophobicContact CG-CB 3.64Å; M306-L315 HydrophobicContact CG-CD1 4.15Å; M306-L315 HydrophobicContact CG-CG 4.49Å; M306-L315 HydrophobicContact SD-CB 4.49Å; N312-L315 HydrophobicContact CB-CD1 4.02Å; N312-L315 HydrophobicContact CB-CG 4.42Å; V313-L315 PolarHBondContact O-N 3.24Å; L315-A317 VanDerWaalsContact C-N 3.27Å; L315-A317 PolarHBondContact O-N 3.36Å; L315-N318 PolarHBondContact O-N 2.93Å; L315-R319 PolarHBondContact O-N 3.32Å |
| 316 | P | 96.7 | Very high | 94.7 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.9 | -37.3 | 177.3 | 23.8 | -32.5 | 0 | 0 | 0 | 111.2 | M306 N312 V313 N318 R319 A320 A339 L342 | M306-P316 HydrophobicContact CE-CB 3.94Å; M306-P316 HydrophobicContact CE-CG 4.5Å; M306-P316 HydrophobicContact SD-CB 4.1Å; N312-P316 WeakPolarHBondContact O-CD 3.33Å; V313-P316 WeakPolarHBondContact O-CD 3.29Å; V313-P316 WeakPolarHBondContact O-CG 3.49Å; P316-N318 PolarHBondContact O-N 3.28Å; P316-R319 PolarHBondContact O-N 2.83Å; P316-A320 WeakPolarHBondContact O-CB 3.44Å; P316-A320 PolarHBondContact O-N 3.38Å; P316-A339 HydrophobicContact CB-CB 4.42Å; P316-A339 HydrophobicContact CG-CB 4.05Å; P316-L342 HydrophobicContact CG-CD1 4.46Å |
| 317 | A | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V313 L315 A320 M321 A339 Y346 R352 | V313-A317 WeakPolarHBondContact O-CB 3.42Å; V313-A317 PolarHBondContact O-N 3.41Å; L315-A317 VanDerWaalsContact C-N 3.27Å; L315-A317 PolarHBondContact O-N 3.36Å; A317-A320 WeakPolarHBondContact O-CB 3.5Å; A317-A320 PolarHBondContact O-N 3.18Å; A317-M321 PolarHBondContact O-N 2.75Å; A317-A339 HydrophobicContact CB-CB 4.26Å; A317-Y346 HydrophobicContact CB-CD1 4.35Å; A317-Y346 HydrophobicContact CB-CE1 3.54Å; A317-R352 PolarHBondContact O-NH1 2.67Å |
| 318 | N | 96 | Very high | 94.8 | Very high | 27 Ų | 27 | 42.1 Ų | 42.1 | 14% | 0.144 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.2 | -35.4 | -179.6 | -73.9 | -5.2 | 0 | 0 | 0 | 112 | N287 Y302 L314 L315 P316 M321 A322 R352 | N287-N318 PolarHBondContact OD1-ND2 2.6Å; Y302-N318 HydrophobicContact CD1-CB 4.37Å; Y302-N318 HydrophobicContact CE1-CB 3.91Å; Y302-N318 HydrophobicContact CE2-CB 4.1Å; L314-N318 VanDerWaalsContact O-CB 3.32Å; L314-N318 WeakPolarHBondContact O-CB 3.35Å; L314-N318 VanDerWaalsContact O-CG 3.23Å; L314-N318 PolarHBondContact O-N 3.2Å; L315-N318 PolarHBondContact O-N 2.93Å; P316-N318 PolarHBondContact O-N 3.28Å; N318-M321 WeakPolarHBondContact O-CB 3.47Å; N318-M321 PolarHBondContact O-N 2.85Å; N318-A322 PolarHBondContact O-N 3.28Å; N318-A322 VanDerWaalsContact O-N 3.12Å; N318-R352 PolarHBondContact OD1-NH1 3.42Å; N318-R352 VanDerWaalsContact OD1-NH1 3.1Å |
| 319 | R | 97 | Very high | 95.1 | Very high | 42 Ų | 42 | 44.9 Ų | 44.9 | 16% | 0.158 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.6 | -42.6 | 170.9 | -163.4 | 172.2 | 70.5 | 178.4 | -2.1 | 111.9 | I299 Y302 S303 L315 P316 M321 A322 F323 D335 | I299-R319 HydrophobicContact CB-CG 4.39Å; I299-R319 HydrophobicContact CG1-CG 4.17Å; I299-R319 HydrophobicContact CG2-CG 4.08Å; Y302-R319 HydrophobicContact CD2-CB 4.02Å; Y302-R319 HydrophobicContact CD2-CG 4.39Å; Y302-R319 HydrophobicContact CG-CB 4.26Å; S303-R319 WeakPolarHBondContact OG-CD 3.1Å; S303-R319 PolarHBondContact OG-NH1 3.17Å; L315-R319 PolarHBondContact O-N 3.32Å; P316-R319 PolarHBondContact O-N 2.83Å; R319-M321 VanDerWaalsContact C-N 3.27Å; R319-M321 PolarHBondContact O-N 2.61Å; R319-A322 WeakPolarHBondContact O-CA 3.4Å; R319-A322 WeakPolarHBondContact O-CB 3.23Å; R319-A322 PolarHBondContact O-N 3.1Å; R319-F323 HydrophobicContact CG-CD2 4.21Å; R319-F323 HydrophobicContact CG-CE2 3.73Å; R319-F323 HydrophobicContact CG-CZ 4.29Å; R319-F323 WeakPolarHBondContact O-CD2 3.32Å; R319-F323 PolarHBondContact O-N 3.19Å; R319-D335 WeakPolarHBondContact CB-OD2 3.28Å; R319-D335 WeakPolarHBondContact CG-OD2 3.49Å; R319-D335 IonicContact CZ-OD1 2.74Å; R319-D335 IonicContact CZ-OD2 3.94Å; R319-D335 IonicContact NE-OD1 4Å; R319-D335 IonicContact NE-OD2 3.11Å; R319-D335 PolarHBondContact NE-OD2 3.34Å; R319-D335 IonicContact NH2-OD1 3.47Å; R319-D335 PolarHBondContact NH2-OD1 3.42Å; R319-D335 IonicContact NH2-OD2 3.18Å; R319-D335 PolarHBondContact NH2-OD2 2.79Å |
| 320 | A | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.8 | -38.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P316 A317 F323 L324 A332 D335 C336 | P316-A320 WeakPolarHBondContact O-CB 3.44Å; P316-A320 PolarHBondContact O-N 3.38Å; A317-A320 WeakPolarHBondContact O-CB 3.5Å; A317-A320 PolarHBondContact O-N 3.18Å; A320-F323 PolarHBondContact O-N 3.29Å; A320-L324 WeakPolarHBondContact O-CG 3.49Å; A320-L324 PolarHBondContact O-N 3.11Å; A320-A332 HydrophobicContact CB-CB 4.41Å; A320-D335 HydrophobicContact CB-CB 3.74Å; A320-C336 WeakPolarHBondContact CB-SG 3.49Å |
| 321 | M | 96.6 | Very high | 95.7 | Very high | 51 Ų | 51 | 51.4 Ų | 51.4 | 25% | 0.251 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.1 | -38.1 | 175 | 179.3 | 57.8 | 72.3 | 0 | 0 | 112.1 | F290 A317 N318 R319 L324 K325 R352 | F290-M321 HydrophobicContact CE2-CG 3.86Å; F290-M321 HydrophobicContact CZ-CG 3.6Å; A317-M321 PolarHBondContact O-N 2.75Å; N318-M321 WeakPolarHBondContact O-CB 3.47Å; N318-M321 PolarHBondContact O-N 2.85Å; R319-M321 VanDerWaalsContact C-N 3.27Å; R319-M321 PolarHBondContact O-N 2.61Å; M321-L324 WeakPolarHBondContact O-CB 3.14Å; M321-L324 PolarHBondContact O-N 3.35Å; M321-L324 HydrophobicContact SD-CD1 4.37Å; M321-K325 WeakPolarHBondContact O-CG 3.36Å; M321-K325 PolarHBondContact O-N 2.77Å; M321-K325 VanDerWaalsContact O-N 3.13Å; M321-R352 HydrophobicContact CE-CG 3.78Å |
| 322 | A | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -41.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | F290 I299 N318 R319 L324 K325 L326 | F290-A322 HydrophobicContact CD2-CB 4.14Å; F290-A322 HydrophobicContact CE2-CB 4.21Å; I299-A322 HydrophobicContact CD1-CB 4.05Å; I299-A322 HydrophobicContact CG1-CB 3.62Å; N318-A322 PolarHBondContact O-N 3.28Å; N318-A322 VanDerWaalsContact O-N 3.12Å; R319-A322 WeakPolarHBondContact O-CA 3.4Å; R319-A322 WeakPolarHBondContact O-CB 3.23Å; R319-A322 PolarHBondContact O-N 3.1Å; A322-L324 PolarHBondContact O-N 3.42Å; A322-K325 PolarHBondContact O-N 3.08Å; A322-K325 VanDerWaalsContact O-N 3.15Å; A322-L326 PolarHBondContact O-N 3.02Å |
| 323 | F | 97.8 | Very high | 96.4 | Very high | 12 Ų | 12 | 43.8 Ų | 43.8 | 5% | 0.053 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.8 | -39.2 | 173.2 | -72.7 | -48.9 | 0 | 0 | 0 | 113.3 | I299 R319 A320 K325 L326 D327 R328 E331 A332 D335 | I299-F323 HydrophobicContact CD1-CD1 3.58Å; I299-F323 HydrophobicContact CD1-CE1 3.52Å; I299-F323 HydrophobicContact CD1-CG 4.36Å; I299-F323 HydrophobicContact CD1-CZ 4.28Å; I299-F323 HydrophobicContact CG1-CD1 4.34Å; I299-F323 HydrophobicContact CG1-CE1 4.11Å; I299-F323 HydrophobicContact CG1-CZ 4.39Å; I299-F323 HydrophobicContact CG2-CE1 3.95Å; I299-F323 HydrophobicContact CG2-CZ 3.74Å; R319-F323 HydrophobicContact CG-CD2 4.21Å; R319-F323 HydrophobicContact CG-CE2 3.73Å; R319-F323 HydrophobicContact CG-CZ 4.29Å; R319-F323 WeakPolarHBondContact O-CD2 3.32Å; R319-F323 PolarHBondContact O-N 3.19Å; A320-F323 PolarHBondContact O-N 3.29Å; F323-K325 VanDerWaalsContact C-N 3.25Å; F323-K325 PolarHBondContact O-N 3.26Å; F323-L326 CarbonylContact O-C 3.32Å; F323-L326 PolarHBondContact O-N 2.89Å; F323-L326 VanDerWaalsContact O-N 3.12Å; F323-D327 PolarHBondContact O-N 3.29Å; F323-D327 VanDerWaalsContact O-N 3.15Å; F323-R328 HydrophobicContact CB-CB 4.14Å; F323-R328 HydrophobicContact CD1-CB 3.96Å; F323-R328 HydrophobicContact CG-CB 4.41Å; F323-R328 PolarHBondContact O-N 3.04Å; F323-E331 HydrophobicContact CD1-CB 4.41Å; F323-E331 HydrophobicContact CD2-CB 3.97Å; F323-E331 HydrophobicContact CE1-CB 4.45Å; F323-E331 HydrophobicContact CE2-CB 3.99Å; F323-E331 HydrophobicContact CG-CB 4.19Å; F323-E331 HydrophobicContact CZ-CB 4.25Å; F323-A332 HydrophobicContact CB-CB 3.86Å; F323-D335 VanDerWaalsContact CE2-OD2 3.3Å; F323-D335 WeakPolarHBondContact CE2-OD2 3.41Å |
| 324 | L | 96.6 | Very high | 96.5 | Very high | 21 Ų | 21 | 49 Ų | 49 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -34.7 | 173.3 | -75 | 177.4 | 0 | 0 | 0 | 112.4 | A320 M321 A322 L326 D327 Y329 A332 R352 A356 | A320-L324 WeakPolarHBondContact O-CG 3.49Å; A320-L324 PolarHBondContact O-N 3.11Å; M321-L324 WeakPolarHBondContact O-CB 3.14Å; M321-L324 PolarHBondContact O-N 3.35Å; M321-L324 HydrophobicContact SD-CD1 4.37Å; A322-L324 PolarHBondContact O-N 3.42Å; L324-L326 VanDerWaalsContact C-N 3.31Å; L324-D327 PolarHBondContact O-N 3.02Å; L324-Y329 HydrophobicContact CD2-CD1 3.82Å; L324-Y329 HydrophobicContact CD2-CE1 4.28Å; L324-A332 HydrophobicContact CD2-CB 3.98Å; L324-A332 HydrophobicContact CG-CB 4Å; L324-R352 HydrophobicContact CD1-CB 3.99Å; L324-R352 HydrophobicContact CD1-CG 4.19Å; L324-A356 HydrophobicContact CD2-CB 3.78Å |
| 325 | K | 96.6 | Very high | 96.6 | Very high | 111 Ų | 111 | 46.1 Ų | 46.1 | 48% | 0.483 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -73.4 | -23.4 | 176.3 | -68.3 | -63.1 | -177.9 | -176.7 | 0 | 113.5 | F290 Y295 M321 A322 F323 | F290-K325 HydrophobicContact CE2-CG 4.11Å; F290-K325 HydrophobicContact CZ-CG 4.01Å; Y295-K325 HydrophobicContact CD1-CB 4.07Å; Y295-K325 HydrophobicContact CD1-CG 4.36Å; Y295-K325 HydrophobicContact CD2-CB 3.87Å; Y295-K325 HydrophobicContact CE1-CB 4.03Å; Y295-K325 HydrophobicContact CE1-CG 3.97Å; Y295-K325 HydrophobicContact CE2-CB 3.81Å; Y295-K325 HydrophobicContact CE2-CG 4.41Å; Y295-K325 HydrophobicContact CG-CB 4Å; M321-K325 WeakPolarHBondContact O-CG 3.36Å; M321-K325 PolarHBondContact O-N 2.77Å; M321-K325 VanDerWaalsContact O-N 3.13Å; A322-K325 PolarHBondContact O-N 3.08Å; A322-K325 VanDerWaalsContact O-N 3.15Å; F323-K325 VanDerWaalsContact C-N 3.25Å; F323-K325 PolarHBondContact O-N 3.26Å |
| 326 | L | 95.8 | Very high | 96.7 | Very high | 43 Ų | 43 | 46.1 Ų | 46.1 | 23% | 0.225 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 9.6 | 175.5 | -64.7 | 179.4 | 0 | 0 | 0 | 113 | Y295 E296 I299 A322 F323 L324 R328 | Y295-L326 HydrophobicContact CD2-CD2 3.97Å; Y295-L326 HydrophobicContact CD2-CG 4.46Å; Y295-L326 HydrophobicContact CG-CD2 4.39Å; Y295-L326 HydrophobicContact CG-CG 4.48Å; E296-L326 HydrophobicContact CG-CD1 3.95Å; E296-L326 WeakPolarHBondContact OE1-CD1 3.42Å; E296-L326 WeakPolarHBondContact OE1-CD2 3.4Å; I299-L326 HydrophobicContact CD1-CD1 3.58Å; A322-L326 PolarHBondContact O-N 3.02Å; F323-L326 CarbonylContact O-C 3.32Å; F323-L326 PolarHBondContact O-N 2.89Å; F323-L326 VanDerWaalsContact O-N 3.12Å; L324-L326 VanDerWaalsContact C-N 3.31Å; L326-R328 HydrophobicContact CB-CG 4.29Å; L326-R328 PolarHBondContact O-N 3.01Å; L326-R328 VanDerWaalsContact O-N 3.11Å |
| 327 | D | 95.4 | Very high | 96.7 | Very high | 105 Ų | 105 | 48.8 Ų | 48.8 | 56% | 0.561 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57 | 22.8 | -176.4 | -59.2 | -40.6 | 0 | 0 | 0 | 114.6 | F323 L324 Y329 | F323-D327 PolarHBondContact O-N 3.29Å; F323-D327 VanDerWaalsContact O-N 3.15Å; L324-D327 PolarHBondContact O-N 3.02Å; D327-Y329 VanDerWaalsContact C-N 3.31Å; D327-Y329 HydrophobicContact CB-CE1 4.41Å; D327-Y329 HydrophobicContact CB-CE2 3.94Å; D327-Y329 VanDerWaalsContact CG-OH 3.29Å; D327-Y329 VanDerWaalsContact O-CD2 3.32Å; D327-Y329 WeakPolarHBondContact O-CD2 3.19Å; D327-Y329 WeakPolarHBondContact O-CE2 3.45Å; D327-Y329 PolarHBondContact O-N 3.41Å; D327-Y329 VanDerWaalsContact O-N 3.13Å; D327-Y329 PolarHBondContact OD1-OH 2.93Å |
| 328 | R | 96.8 | Very high | 96.7 | Very high | 104 Ų | 104 | 50.5 Ų | 50.5 | 39% | 0.392 | 24% | 0.241 | S | C | . | . | trans | -88.8 | 66.6 | 176.8 | -70.4 | 173.3 | 67.3 | 173.9 | 1.4 | 110.4 | F323 L326 K330 E331 A332 | F323-R328 HydrophobicContact CB-CB 4.14Å; F323-R328 HydrophobicContact CD1-CB 3.96Å; F323-R328 HydrophobicContact CG-CB 4.41Å; F323-R328 PolarHBondContact O-N 3.04Å; L326-R328 HydrophobicContact CB-CG 4.29Å; L326-R328 PolarHBondContact O-N 3.01Å; L326-R328 VanDerWaalsContact O-N 3.11Å; R328-K330 PolarHBondContact O-N 3.41Å; R328-E331 IonicContact CZ-OE1 3.88Å; R328-E331 IonicContact CZ-OE2 2.73Å; R328-E331 IonicContact NE-OE1 2.75Å; R328-E331 IonicContact NE-OE2 3.69Å; R328-E331 PolarHBondContact NE-OE2 2.95Å; R328-E331 IonicContact NH2-OE1 3Å; R328-E331 PolarHBondContact NH2-OE1 3.41Å; R328-E331 IonicContact NH2-OE2 3.88Å; R328-E331 PolarHBondContact NH2-OE2 3.48Å; R328-A332 PolarHBondContact O-N 3.49Å | ||
| 329 | Y | 97.2 | Very high | 96.7 | Very high | 67 Ų | 67 | 49.2 Ų | 49.2 | 26% | 0.263 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.3 | -29.2 | -168.7 | -52.1 | -61.7 | 0 | 0 | 0 | 115 | L324 D327 E333 A359 | L324-Y329 HydrophobicContact CD2-CD1 3.82Å; L324-Y329 HydrophobicContact CD2-CE1 4.28Å; D327-Y329 VanDerWaalsContact C-N 3.31Å; D327-Y329 HydrophobicContact CB-CE1 4.41Å; D327-Y329 HydrophobicContact CB-CE2 3.94Å; D327-Y329 VanDerWaalsContact CG-OH 3.29Å; D327-Y329 VanDerWaalsContact O-CD2 3.32Å; D327-Y329 WeakPolarHBondContact O-CD2 3.19Å; D327-Y329 WeakPolarHBondContact O-CE2 3.45Å; D327-Y329 PolarHBondContact O-N 3.41Å; D327-Y329 VanDerWaalsContact O-N 3.13Å; D327-Y329 PolarHBondContact OD1-OH 2.93Å; Y329-E333 PolarHBondContact O-N 3.12Å; Y329-A359 HydrophobicContact CD1-CB 3.54Å; Y329-A359 HydrophobicContact CD2-CB 3.58Å; Y329-A359 HydrophobicContact CE1-CB 3.54Å; Y329-A359 HydrophobicContact CE2-CB 3.56Å; Y329-A359 HydrophobicContact CG-CB 3.56Å |
| 330 | K | 96.8 | Very high | 96.6 | Very high | 149 Ų | 149 | 48.2 Ų | 48.2 | 65% | 0.648 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -65.2 | -49.5 | 179.6 | -65.8 | -175.5 | 180 | 178.5 | 0 | 111.8 | R328 A332 E333 E334 L360 | R328-K330 PolarHBondContact O-N 3.41Å; K330-A332 VanDerWaalsContact C-N 3.32Å; K330-A332 PolarHBondContact O-N 3.1Å; K330-E333 WeakPolarHBondContact O-CB 3.42Å; K330-E333 PolarHBondContact O-N 3.45Å; K330-E334 PolarHBondContact O-N 3.14Å; K330-L360 HydrophobicContact CG-CD1 4.42Å; K330-L360 HydrophobicContact CG-CD2 3.85Å |
| 331 | E | 96.8 | Very high | 96.5 | Very high | 65 Ų | 65 | 52.9 Ų | 52.9 | 30% | 0.304 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.7 | -33.2 | 179.4 | -66.8 | 159.6 | 136.9 | 0 | 0 | 111.3 | F323 R328 E333 E334 D335 | F323-E331 HydrophobicContact CD1-CB 4.41Å; F323-E331 HydrophobicContact CD2-CB 3.97Å; F323-E331 HydrophobicContact CE1-CB 4.45Å; F323-E331 HydrophobicContact CE2-CB 3.99Å; F323-E331 HydrophobicContact CG-CB 4.19Å; F323-E331 HydrophobicContact CZ-CB 4.25Å; R328-E331 IonicContact CZ-OE1 3.88Å; R328-E331 IonicContact CZ-OE2 2.73Å; R328-E331 IonicContact NE-OE1 2.75Å; R328-E331 IonicContact NE-OE2 3.69Å; R328-E331 PolarHBondContact NE-OE2 2.95Å; R328-E331 IonicContact NH2-OE1 3Å; R328-E331 PolarHBondContact NH2-OE1 3.41Å; R328-E331 IonicContact NH2-OE2 3.88Å; R328-E331 PolarHBondContact NH2-OE2 3.48Å; E331-E333 VanDerWaalsContact C-N 3.31Å; E331-E333 PolarHBondContact O-N 3.45Å; E331-E334 PolarHBondContact O-N 3.15Å; E331-D335 PolarHBondContact O-N 3.24Å |
| 332 | A | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.3 | -38.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A320 F323 L324 R328 K330 C336 A356 | A320-A332 HydrophobicContact CB-CB 4.41Å; F323-A332 HydrophobicContact CB-CB 3.86Å; L324-A332 HydrophobicContact CD2-CB 3.98Å; L324-A332 HydrophobicContact CG-CB 4Å; R328-A332 PolarHBondContact O-N 3.49Å; K330-A332 VanDerWaalsContact C-N 3.32Å; K330-A332 PolarHBondContact O-N 3.1Å; A332-C336 WeakPolarHBondContact O-CB 3.33Å; A332-C336 PolarHBondContact O-N 3.26Å; A332-C336 PolarHBondContact O-SG 3.01Å; A332-A356 HydrophobicContact CB-CB 4.16Å |
| 333 | E | 97.1 | Very high | 96.2 | Very high | 24 Ų | 24 | 56.3 Ų | 56.3 | 11% | 0.112 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 176.1 | -177 | -179.1 | -173.5 | 0 | 0 | 111.7 | Y329 K330 E331 T337 R353 R357 L360 K362 | Y329-E333 PolarHBondContact O-N 3.12Å; K330-E333 WeakPolarHBondContact O-CB 3.42Å; K330-E333 PolarHBondContact O-N 3.45Å; E331-E333 VanDerWaalsContact C-N 3.31Å; E331-E333 PolarHBondContact O-N 3.45Å; E333-T337 WeakPolarHBondContact O-CB 3.34Å; E333-T337 PolarHBondContact O-N 2.92Å; E333-T337 PolarHBondContact O-OG1 2.94Å; E333-R353 HydrophobicContact CG-CG 4.08Å; E333-R357 HydrophobicContact CG-CG 4.33Å; E333-R357 IonicContact OE1-CZ 3.85Å; E333-R357 IonicContact OE1-NE 3.37Å; E333-R357 PolarHBondContact OE1-NE 2.89Å; E333-R357 IonicContact OE1-NH2 2.63Å; E333-R357 PolarHBondContact OE1-NH2 3.42Å; E333-L360 WeakPolarHBondContact OE2-CD1 3.46Å; E333-K362 VanDerWaalsContact CD-NZ 3.33Å; E333-K362 IonicContact OE1-NZ 3.11Å; E333-K362 PolarHBondContact OE1-NZ 3.48Å; E333-K362 VanDerWaalsContact OE1-NZ 3.11Å; E333-K362 IonicContact OE2-NZ 3.95Å; E333-K362 PolarHBondContact OE2-NZ 3.47Å |
| 334 | E | 96.6 | Very high | 95.9 | Very high | 132 Ų | 132 | 59.2 Ų | 59.2 | 62% | 0.617 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.8 | -49.5 | 177.7 | -69.2 | 171.3 | -172 | 0 | 0 | 111.2 | K330 E331 C336 T337 A338 | K330-E334 PolarHBondContact O-N 3.14Å; E331-E334 PolarHBondContact O-N 3.15Å; E334-C336 PolarHBondContact O-N 3.34Å; E334-T337 WeakPolarHBondContact O-CB 3.4Å; E334-T337 PolarHBondContact O-N 2.87Å; E334-T337 VanDerWaalsContact O-N 3.1Å; E334-A338 PolarHBondContact O-N 3.35Å |
| 335 | D | 96.6 | Very high | 95.8 | Very high | 13 Ų | 13 | 63 Ų | 63 | 7% | 0.07 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 178.9 | -86.9 | -4.4 | 0 | 0 | 0 | 112.7 | R319 A320 F323 E331 T337 A338 A339 | R319-D335 WeakPolarHBondContact CB-OD2 3.28Å; R319-D335 WeakPolarHBondContact CG-OD2 3.49Å; R319-D335 IonicContact CZ-OD1 2.74Å; R319-D335 IonicContact CZ-OD2 3.94Å; R319-D335 IonicContact NE-OD1 4Å; R319-D335 IonicContact NE-OD2 3.11Å; R319-D335 PolarHBondContact NE-OD2 3.34Å; R319-D335 IonicContact NH2-OD1 3.47Å; R319-D335 PolarHBondContact NH2-OD1 3.42Å; R319-D335 IonicContact NH2-OD2 3.18Å; R319-D335 PolarHBondContact NH2-OD2 2.79Å; A320-D335 HydrophobicContact CB-CB 3.74Å; F323-D335 VanDerWaalsContact CE2-OD2 3.3Å; F323-D335 WeakPolarHBondContact CE2-OD2 3.41Å; E331-D335 PolarHBondContact O-N 3.24Å; D335-T337 VanDerWaalsContact C-N 3.29Å; D335-T337 PolarHBondContact O-N 3.27Å; D335-A338 PolarHBondContact O-N 3.4Å; D335-A339 PolarHBondContact O-N 3.48Å |
| 336 | C | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.5 | -34.9 | 174.1 | -67.4 | 0 | 0 | 0 | 0 | 111.6 | A320 A332 E334 A339 I340 R352 R353 | A320-C336 WeakPolarHBondContact CB-SG 3.49Å; A332-C336 WeakPolarHBondContact O-CB 3.33Å; A332-C336 PolarHBondContact O-N 3.26Å; A332-C336 PolarHBondContact O-SG 3.01Å; E334-C336 PolarHBondContact O-N 3.34Å; C336-A339 PolarHBondContact O-N 2.91Å; C336-I340 WeakPolarHBondContact O-CD1 3.44Å; C336-I340 VanDerWaalsContact O-CG1 3.24Å; C336-I340 WeakPolarHBondContact O-CG1 3.49Å; C336-I340 PolarHBondContact O-N 2.63Å; C336-R352 VanDerWaalsContact SG-CB 3.52Å; C336-R353 HydrophobicContact CB-CB 3.6Å; C336-R353 HydrophobicContact CB-CG 4.03Å |
| 337 | T | 96.8 | Very high | 95.6 | Very high | 58 Ų | 58 | 58.1 Ų | 58.1 | 36% | 0.356 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.8 | -39 | 176.2 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | E333 E334 D335 I340 S341 R353 | E333-T337 WeakPolarHBondContact O-CB 3.34Å; E333-T337 PolarHBondContact O-N 2.92Å; E333-T337 PolarHBondContact O-OG1 2.94Å; E334-T337 WeakPolarHBondContact O-CB 3.4Å; E334-T337 PolarHBondContact O-N 2.87Å; E334-T337 VanDerWaalsContact O-N 3.1Å; D335-T337 VanDerWaalsContact C-N 3.29Å; D335-T337 PolarHBondContact O-N 3.27Å; T337-I340 PolarHBondContact O-N 3.1Å; T337-S341 PolarHBondContact O-N 3.4Å; T337-R353 WeakPolarHBondContact OG1-CD 3.5Å; T337-R353 PolarHBondContact OG1-NH1 3.29Å |
| 338 | A | 95.7 | Very high | 95.5 | Very high | 37 Ų | 37 | 57.2 Ų | 57.2 | 31% | 0.306 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E334 D335 I340 S341 L342 | E334-A338 PolarHBondContact O-N 3.35Å; D335-A338 PolarHBondContact O-N 3.4Å; A338-I340 PolarHBondContact O-N 2.88Å; A338-S341 PolarHBondContact O-N 2.97Å; A338-S341 PolarHBondContact O-OG 3.06Å; A338-L342 PolarHBondContact O-N 3.35Å |
| 339 | A | 95.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V313 P316 A317 D335 C336 S341 L342 D343 A349 | V313-A339 HydrophobicContact CG1-CB 4.24Å; P316-A339 HydrophobicContact CB-CB 4.42Å; P316-A339 HydrophobicContact CG-CB 4.05Å; A317-A339 HydrophobicContact CB-CB 4.26Å; D335-A339 PolarHBondContact O-N 3.48Å; C336-A339 PolarHBondContact O-N 2.91Å; A339-S341 VanDerWaalsContact C-N 3.34Å; A339-L342 PolarHBondContact O-N 3.4Å; A339-D343 PolarHBondContact O-N 3.3Å; A339-A349 HydrophobicContact CB-CB 4.07Å |
| 340 | I | 95.6 | Very high | 95.4 | Very high | 20 Ų | 20 | 49.4 Ų | 49.4 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.3 | -33.7 | 177.9 | -68.4 | 161.5 | 0 | 0 | 0 | 111.6 | C336 T337 A338 L342 D343 D344 A349 F350 | C336-I340 WeakPolarHBondContact O-CD1 3.44Å; C336-I340 VanDerWaalsContact O-CG1 3.24Å; C336-I340 WeakPolarHBondContact O-CG1 3.49Å; C336-I340 PolarHBondContact O-N 2.63Å; T337-I340 PolarHBondContact O-N 3.1Å; A338-I340 PolarHBondContact O-N 2.88Å; I340-L342 PolarHBondContact O-N 3.1Å; I340-D343 CarbonylContact O-C 3.57Å; I340-D343 VanDerWaalsContact O-C 3.32Å; I340-D343 PolarHBondContact O-N 3.18Å; I340-D344 PolarHBondContact O-N 2.89Å; I340-A349 HydrophobicContact CD1-CB 4.18Å; I340-A349 HydrophobicContact CG1-CB 3.75Å; I340-F350 HydrophobicContact CB-CZ 4.49Å; I340-F350 HydrophobicContact CD1-CD1 3.81Å; I340-F350 HydrophobicContact CD1-CD2 4.37Å; I340-F350 HydrophobicContact CD1-CE1 3.72Å; I340-F350 HydrophobicContact CD1-CE2 4.29Å; I340-F350 HydrophobicContact CD1-CG 4.14Å; I340-F350 HydrophobicContact CD1-CZ 3.96Å; I340-F350 HydrophobicContact CG1-CD2 4.41Å; I340-F350 HydrophobicContact CG1-CE1 4.25Å; I340-F350 HydrophobicContact CG1-CE2 4.05Å; I340-F350 HydrophobicContact CG1-CZ 3.96Å; I340-F350 HydrophobicContact CG2-CE1 4.17Å; I340-F350 HydrophobicContact CG2-CE2 4.37Å; I340-F350 HydrophobicContact CG2-CZ 3.68Å |
| 341 | S | 95.2 | Very high | 95.3 | Very high | 98 Ų | 98 | 42.8 Ų | 42.8 | 69% | 0.685 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -66.5 | -27.3 | 175.3 | 75.3 | 0 | 0 | 0 | 0 | 113 | T337 A338 A339 | T337-S341 PolarHBondContact O-N 3.4Å; A338-S341 PolarHBondContact O-N 2.97Å; A338-S341 PolarHBondContact O-OG 3.06Å; A339-S341 VanDerWaalsContact C-N 3.34Å |
| 342 | L | 94.1 | Very high | 95.3 | Very high | 72 Ų | 72 | 41.2 Ų | 41.2 | 38% | 0.377 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -81.5 | -44 | 173.5 | -65.7 | 173.1 | 0 | 0 | 0 | 111.5 | M311 V313 P316 A338 A339 I340 | M311-L342 HydrophobicContact SD-CD2 4.49Å; V313-L342 HydrophobicContact CG2-CB 3.71Å; P316-L342 HydrophobicContact CG-CD1 4.46Å; A338-L342 PolarHBondContact O-N 3.35Å; A339-L342 PolarHBondContact O-N 3.4Å; I340-L342 PolarHBondContact O-N 3.1Å |
| 343 | D | 92.5 | Very high | 95.3 | Very high | 51 Ų | 51 | 42.5 Ų | 42.5 | 27% | 0.273 | 23% | 0.232 | S | C | . | . | trans | -145.6 | 107.2 | 179 | -179.8 | 12.2 | 0 | 0 | 0 | 112.4 | V313 A339 I340 T345 Y346 | V313-D343 HydrophobicContact CB-CB 4.37Å; V313-D343 HydrophobicContact CG1-CB 4Å; V313-D343 HydrophobicContact CG2-CB 3.46Å; V313-D343 VanDerWaalsContact CG2-CB 3.46Å; A339-D343 PolarHBondContact O-N 3.3Å; I340-D343 CarbonylContact O-C 3.57Å; I340-D343 VanDerWaalsContact O-C 3.32Å; I340-D343 PolarHBondContact O-N 3.18Å; D343-T345 VanDerWaalsContact CG-OG1 3.32Å; D343-T345 PolarHBondContact O-N 3.34Å; D343-T345 WeakPolarHBondContact OD1-CA 3.25Å; D343-T345 WeakPolarHBondContact OD1-CB 3.43Å; D343-T345 PolarHBondContact OD1-N 3.1Å; D343-T345 PolarHBondContact OD1-OG1 3.41Å; D343-T345 PolarHBondContact OD2-OG1 3.34Å; D343-Y346 PolarHBondContact O-N 3.28Å | ||
| 344 | D | 92.5 | Very high | 95.2 | Very high | 74 Ų | 74 | 41.4 Ų | 41.4 | 40% | 0.396 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -9.8 | 176.6 | -174.5 | 61.7 | 0 | 0 | 0 | 113.2 | I340 F350 R372 | I340-D344 PolarHBondContact O-N 2.89Å; D344-F350 WeakPolarHBondContact O-CE2 3.36Å; D344-F350 WeakPolarHBondContact OD1-CZ 3.43Å; D344-R372 IonicContact OD2-CZ 3.56Å; D344-R372 IonicContact OD2-NE 2.78Å; D344-R372 IonicContact OD2-NH2 3.51Å; D344-R372 PolarHBondContact OD2-NH2 3.1Å |
| 345 | T | 93.4 | Very high | 95.1 | Very high | 99 Ų | 99 | 37.5 Ų | 37.5 | 61% | 0.607 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -9.6 | 177.7 | 73.5 | 0 | 0 | 0 | 0 | 112.9 | D343 S347 | D343-T345 VanDerWaalsContact CG-OG1 3.32Å; D343-T345 PolarHBondContact O-N 3.34Å; D343-T345 WeakPolarHBondContact OD1-CA 3.25Å; D343-T345 WeakPolarHBondContact OD1-CB 3.43Å; D343-T345 PolarHBondContact OD1-N 3.1Å; D343-T345 PolarHBondContact OD1-OG1 3.41Å; D343-T345 PolarHBondContact OD2-OG1 3.34Å; T345-S347 PolarHBondContact O-N 2.89Å |
| 346 | Y | 94.3 | Very high | 95.2 | Very high | 39 Ų | 39 | 36.9 Ų | 36.9 | 15% | 0.153 | 21% | 0.208 | C | C | . | . | trans | -78.2 | 91.2 | -175.7 | -170.1 | -114.5 | 0 | 0 | 0 | 112.7 | V313 L314 A317 D343 K348 A349 | V313-Y346 HydrophobicContact CG1-CD1 3.97Å; V313-Y346 HydrophobicContact CG1-CG 3.99Å; L314-Y346 HydrophobicContact CD2-CE2 3.92Å; A317-Y346 HydrophobicContact CB-CD1 4.35Å; A317-Y346 HydrophobicContact CB-CE1 3.54Å; D343-Y346 PolarHBondContact O-N 3.28Å; Y346-K348 VanDerWaalsContact C-N 3.33Å; Y346-K348 HydrophobicContact CD1-CB 4.47Å; Y346-K348 HydrophobicContact CE1-CB 3.77Å; Y346-K348 HydrophobicContact CE2-CB 4.33Å; Y346-K348 PolarHBondContact O-N 3.29Å; Y346-A349 HydrophobicContact CD1-CB 3.6Å; Y346-A349 HydrophobicContact CE1-CB 4.18Å; Y346-A349 PolarHBondContact O-N 3.3Å; Y346-A349 VanDerWaalsContact O-N 3.15Å | ||
| 347 | S | 93.3 | Very high | 95.1 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -51.4 | -43.3 | -177.4 | 61.8 | 0 | 0 | 0 | 0 | 114.2 | T345 A349 F350 A351 L373 E377 | T345-S347 PolarHBondContact O-N 2.89Å; S347-A349 VanDerWaalsContact C-N 3.26Å; S347-A349 PolarHBondContact O-N 3.35Å; S347-F350 PolarHBondContact O-N 2.85Å; S347-F350 VanDerWaalsContact O-N 3.13Å; S347-A351 PolarHBondContact O-N 3.23Å; S347-L373 WeakPolarHBondContact O-CD1 3.45Å; S347-E377 VanDerWaalsContact CB-OE1 3.25Å; S347-E377 WeakPolarHBondContact CB-OE1 3.38Å; S347-E377 VanDerWaalsContact OG-CD 3.31Å; S347-E377 PolarHBondContact OG-OE1 2.87Å |
| 348 | K | 93.9 | Very high | 95 | Very high | 87 Ų | 87 | 37.5 Ų | 37.5 | 38% | 0.378 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.2 | -30 | -177.3 | -66.2 | -176.2 | -178.1 | -175.5 | 0 | 112.6 | Y346 A351 R352 E473 | Y346-K348 VanDerWaalsContact C-N 3.33Å; Y346-K348 HydrophobicContact CD1-CB 4.47Å; Y346-K348 HydrophobicContact CE1-CB 3.77Å; Y346-K348 HydrophobicContact CE2-CB 4.33Å; Y346-K348 PolarHBondContact O-N 3.29Å; K348-A351 PolarHBondContact O-N 2.89Å; K348-R352 WeakPolarHBondContact O-CB 3.42Å; K348-R352 WeakPolarHBondContact O-CG 3.47Å; K348-R352 PolarHBondContact O-N 2.9Å; K348-E473 IonicContact NZ-OE1 2.91Å |
| 349 | A | 95.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.1 | -40.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A339 I340 Y346 S347 A351 R352 R353 | A339-A349 HydrophobicContact CB-CB 4.07Å; I340-A349 HydrophobicContact CD1-CB 4.18Å; I340-A349 HydrophobicContact CG1-CB 3.75Å; Y346-A349 HydrophobicContact CD1-CB 3.6Å; Y346-A349 HydrophobicContact CE1-CB 4.18Å; Y346-A349 PolarHBondContact O-N 3.3Å; Y346-A349 VanDerWaalsContact O-N 3.15Å; S347-A349 VanDerWaalsContact C-N 3.26Å; S347-A349 PolarHBondContact O-N 3.35Å; A349-A351 PolarHBondContact O-N 3.37Å; A349-R352 PolarHBondContact O-N 3.39Å; A349-R353 WeakPolarHBondContact O-CB 3.5Å; A349-R353 PolarHBondContact O-N 3.13Å |
| 350 | F | 96.4 | Very high | 94.9 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.6 | -42.1 | 173.4 | -69.5 | -79.9 | 0 | 0 | 0 | 112.1 | I340 D344 S347 R352 R353 G354 R372 L373 L376 | I340-F350 HydrophobicContact CB-CZ 4.49Å; I340-F350 HydrophobicContact CD1-CD1 3.81Å; I340-F350 HydrophobicContact CD1-CD2 4.37Å; I340-F350 HydrophobicContact CD1-CE1 3.72Å; I340-F350 HydrophobicContact CD1-CE2 4.29Å; I340-F350 HydrophobicContact CD1-CG 4.14Å; I340-F350 HydrophobicContact CD1-CZ 3.96Å; I340-F350 HydrophobicContact CG1-CD2 4.41Å; I340-F350 HydrophobicContact CG1-CE1 4.25Å; I340-F350 HydrophobicContact CG1-CE2 4.05Å; I340-F350 HydrophobicContact CG1-CZ 3.96Å; I340-F350 HydrophobicContact CG2-CE1 4.17Å; I340-F350 HydrophobicContact CG2-CE2 4.37Å; I340-F350 HydrophobicContact CG2-CZ 3.68Å; D344-F350 WeakPolarHBondContact O-CE2 3.36Å; D344-F350 WeakPolarHBondContact OD1-CZ 3.43Å; S347-F350 PolarHBondContact O-N 2.85Å; S347-F350 VanDerWaalsContact O-N 3.13Å; F350-R352 PolarHBondContact O-N 3.36Å; F350-R353 PolarHBondContact O-N 3.02Å; F350-G354 PolarHBondContact O-N 3.29Å; F350-R372 HydrophobicContact CD1-CB 4.14Å; F350-R372 HydrophobicContact CD1-CG 3.96Å; F350-R372 HydrophobicContact CE1-CB 4.21Å; F350-R372 HydrophobicContact CE1-CG 3.63Å; F350-R372 HydrophobicContact CE2-CG 4.22Å; F350-R372 HydrophobicContact CG-CG 4.39Å; F350-R372 HydrophobicContact CZ-CG 3.77Å; F350-L373 HydrophobicContact CB-CB 4.21Å; F350-L376 HydrophobicContact CD2-CD1 3.94Å; F350-L376 HydrophobicContact CE2-CD1 3.93Å |
| 351 | A | 95.4 | Very high | 94.7 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.4 | -44.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S347 K348 A349 T355 L373 | S347-A351 PolarHBondContact O-N 3.23Å; K348-A351 PolarHBondContact O-N 2.89Å; A349-A351 PolarHBondContact O-N 3.37Å; A351-T355 PolarHBondContact O-N 3.04Å; A351-T355 VanDerWaalsContact O-N 3.08Å; A351-T355 PolarHBondContact O-OG1 3.45Å; A351-L373 HydrophobicContact CB-CD2 3.61Å |
| 352 | R | 96.2 | Very high | 94.6 | Very high | 32 Ų | 32 | 41.5 Ų | 41.5 | 12% | 0.121 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.7 | -45.2 | 179.4 | -70.7 | 170.7 | -172.2 | -177.4 | -0.1 | 111.2 | A317 N318 M321 L324 C336 K348 A349 F350 T355 A356 | A317-R352 PolarHBondContact O-NH1 2.67Å; N318-R352 PolarHBondContact OD1-NH1 3.42Å; N318-R352 VanDerWaalsContact OD1-NH1 3.1Å; M321-R352 HydrophobicContact CE-CG 3.78Å; L324-R352 HydrophobicContact CD1-CB 3.99Å; L324-R352 HydrophobicContact CD1-CG 4.19Å; C336-R352 VanDerWaalsContact SG-CB 3.52Å; K348-R352 WeakPolarHBondContact O-CB 3.42Å; K348-R352 WeakPolarHBondContact O-CG 3.47Å; K348-R352 PolarHBondContact O-N 2.9Å; A349-R352 PolarHBondContact O-N 3.39Å; F350-R352 PolarHBondContact O-N 3.36Å; R352-T355 PolarHBondContact O-N 2.94Å; R352-A356 PolarHBondContact O-N 2.96Å |
| 353 | R | 96.9 | Very high | 94.6 | Very high | 27 Ų | 27 | 41.1 Ų | 41.1 | 10% | 0.102 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.4 | -44.5 | 176.7 | -163.1 | 169 | 66.4 | -173.3 | -4 | 112.4 | E333 C336 T337 A349 F350 T355 A356 R357 D369 | E333-R353 HydrophobicContact CG-CG 4.08Å; C336-R353 HydrophobicContact CB-CB 3.6Å; C336-R353 HydrophobicContact CB-CG 4.03Å; T337-R353 WeakPolarHBondContact OG1-CD 3.5Å; T337-R353 PolarHBondContact OG1-NH1 3.29Å; A349-R353 WeakPolarHBondContact O-CB 3.5Å; A349-R353 PolarHBondContact O-N 3.13Å; F350-R353 PolarHBondContact O-N 3.02Å; R353-T355 VanDerWaalsContact C-N 3.3Å; R353-T355 PolarHBondContact O-N 2.77Å; R353-A356 WeakPolarHBondContact O-CB 3.24Å; R353-A356 PolarHBondContact O-N 3.31Å; R353-R357 HydrophobicContact CG-CG 4.48Å; R353-R357 WeakPolarHBondContact O-CB 3.35Å; R353-R357 WeakPolarHBondContact O-CG 3.4Å; R353-R357 PolarHBondContact O-N 3.3Å; R353-D369 IonicContact CZ-OD1 2.69Å; R353-D369 IonicContact CZ-OD2 3.31Å; R353-D369 IonicContact NE-OD1 2.7Å; R353-D369 PolarHBondContact NE-OD1 3.46Å; R353-D369 IonicContact NE-OD2 2.77Å; R353-D369 PolarHBondContact NE-OD2 3.05Å; R353-D369 IonicContact NH2-OD1 3.54Å; R353-D369 PolarHBondContact NH2-OD1 2.7Å; R353-D369 IonicContact NH2-OD2 3.02Å |
| 354 | G | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.6 | -44.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | F350 R357 L358 | F350-G354 PolarHBondContact O-N 3.29Å; G354-R357 PolarHBondContact O-N 2.93Å; G354-L358 WeakPolarHBondContact O-CG 3.41Å; G354-L358 PolarHBondContact O-N 3.26Å |
| 355 | T | 95.4 | Very high | 94.6 | Very high | 50 Ų | 50 | 44 Ų | 44 | 31% | 0.307 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.6 | -43.7 | 175.8 | -53.2 | 0 | 0 | 0 | 0 | 112.2 | A351 R352 R353 L358 A359 | A351-T355 PolarHBondContact O-N 3.04Å; A351-T355 VanDerWaalsContact O-N 3.08Å; A351-T355 PolarHBondContact O-OG1 3.45Å; R352-T355 PolarHBondContact O-N 2.94Å; R353-T355 VanDerWaalsContact C-N 3.3Å; R353-T355 PolarHBondContact O-N 2.77Å; T355-L358 PolarHBondContact O-N 2.94Å; T355-A359 PolarHBondContact O-N 3.49Å; T355-A359 VanDerWaalsContact O-N 3.16Å |
| 356 | A | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.6 | -45.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L324 A332 R352 R353 L358 A359 L360 | L324-A356 HydrophobicContact CD2-CB 3.78Å; A332-A356 HydrophobicContact CB-CB 4.16Å; R352-A356 PolarHBondContact O-N 2.96Å; R353-A356 WeakPolarHBondContact O-CB 3.24Å; R353-A356 PolarHBondContact O-N 3.31Å; A356-L358 PolarHBondContact O-N 3.38Å; A356-A359 PolarHBondContact O-N 3.16Å; A356-L360 WeakPolarHBondContact O-CG 3.32Å; A356-L360 PolarHBondContact O-N 2.88Å |
| 357 | R | 96.5 | Very high | 94.7 | Very high | 33 Ų | 33 | 38.9 Ų | 38.9 | 13% | 0.125 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.3 | -35.8 | 179 | -76.6 | 174.3 | 169.6 | 179.6 | -12.7 | 113 | E333 R353 G354 L360 G361 K362 E365 A366 D369 | E333-R357 HydrophobicContact CG-CG 4.33Å; E333-R357 IonicContact OE1-CZ 3.85Å; E333-R357 IonicContact OE1-NE 3.37Å; E333-R357 PolarHBondContact OE1-NE 2.89Å; E333-R357 IonicContact OE1-NH2 2.63Å; E333-R357 PolarHBondContact OE1-NH2 3.42Å; R353-R357 HydrophobicContact CG-CG 4.48Å; R353-R357 WeakPolarHBondContact O-CB 3.35Å; R353-R357 WeakPolarHBondContact O-CG 3.4Å; R353-R357 PolarHBondContact O-N 3.3Å; G354-R357 PolarHBondContact O-N 2.93Å; R357-L360 CarbonylContact O-C 3.42Å; R357-L360 PolarHBondContact O-N 2.94Å; R357-G361 PolarHBondContact O-N 3.25Å; R357-K362 HydrophobicContact CB-CB 4.18Å; R357-K362 HydrophobicContact CG-CB 4.47Å; R357-K362 PolarHBondContact O-N 3.27Å; R357-E365 IonicContact CZ-OE2 2.87Å; R357-E365 IonicContact NE-OE2 2.63Å; R357-E365 PolarHBondContact NE-OE2 3.33Å; R357-E365 IonicContact NH2-OE2 3.25Å; R357-A366 HydrophobicContact CB-CB 3.99Å; R357-D369 WeakPolarHBondContact CD-OD2 3.39Å; R357-D369 IonicContact CZ-OD2 3.39Å; R357-D369 IonicContact NE-OD2 3.98Å; R357-D369 IonicContact NH1-OD1 2.67Å; R357-D369 PolarHBondContact NH1-OD1 3.06Å; R357-D369 IonicContact NH1-OD2 3.36Å; R357-D369 PolarHBondContact NH1-OD2 2.78Å |
| 358 | L | 94.6 | Very high | 94.7 | Very high | 38 Ų | 38 | 43.8 Ų | 43.8 | 20% | 0.199 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.6 | -47 | 170.9 | -73.1 | -172.4 | 0 | 0 | 0 | 111.5 | G354 T355 A356 L360 G361 L363 A366 F370 L390 | G354-L358 WeakPolarHBondContact O-CG 3.41Å; G354-L358 PolarHBondContact O-N 3.26Å; T355-L358 PolarHBondContact O-N 2.94Å; A356-L358 PolarHBondContact O-N 3.38Å; L358-L360 PolarHBondContact O-N 3.07Å; L358-G361 PolarHBondContact O-N 3.44Å; L358-L363 HydrophobicContact CD2-CD2 3.86Å; L358-A366 HydrophobicContact CD2-CB 3.5Å; L358-A366 HydrophobicContact CG-CB 3.89Å; L358-F370 HydrophobicContact CD1-CE2 3.78Å; L358-F370 HydrophobicContact CD1-CZ 4Å; L358-F370 HydrophobicContact CG-CE2 4.07Å; L358-L390 HydrophobicContact CD2-CD1 3.79Å; L358-L390 HydrophobicContact CD2-CD2 3.46Å; L358-L390 VanDerWaalsContact CD2-CD2 3.46Å; L358-L390 HydrophobicContact CD2-CG 4.12Å |
| 359 | A | 93.8 | Very high | 94.8 | Very high | 51 Ų | 51 | 40 Ų | 40 | 42% | 0.421 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.4 | -29.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y329 T355 A356 G361 | Y329-A359 HydrophobicContact CD1-CB 3.54Å; Y329-A359 HydrophobicContact CD2-CB 3.58Å; Y329-A359 HydrophobicContact CE1-CB 3.54Å; Y329-A359 HydrophobicContact CE2-CB 3.56Å; Y329-A359 HydrophobicContact CG-CB 3.56Å; T355-A359 PolarHBondContact O-N 3.49Å; T355-A359 VanDerWaalsContact O-N 3.16Å; A356-A359 PolarHBondContact O-N 3.16Å; A359-G361 VanDerWaalsContact C-N 3.31Å |
| 360 | L | 94.2 | Very high | 94.8 | Very high | 56 Ų | 56 | 40 Ų | 40 | 29% | 0.293 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -5.8 | 172.5 | -67.7 | 171.3 | 0 | 0 | 0 | 114.2 | K330 E333 A356 R357 L358 K362 | K330-L360 HydrophobicContact CG-CD1 4.42Å; K330-L360 HydrophobicContact CG-CD2 3.85Å; E333-L360 WeakPolarHBondContact OE2-CD1 3.46Å; A356-L360 WeakPolarHBondContact O-CG 3.32Å; A356-L360 PolarHBondContact O-N 2.88Å; R357-L360 CarbonylContact O-C 3.42Å; R357-L360 PolarHBondContact O-N 2.94Å; L358-L360 PolarHBondContact O-N 3.07Å; L360-K362 VanDerWaalsContact C-N 3.34Å; L360-K362 HydrophobicContact CB-CG 4.32Å |
| 361 | G | 91.6 | Very high | 94.7 | Very high | 52 Ų | 52 | 46 Ų | 46 | 54% | 0.536 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 8.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R357 L358 A359 L363 | R357-G361 PolarHBondContact O-N 3.25Å; L358-G361 PolarHBondContact O-N 3.44Å; A359-G361 VanDerWaalsContact C-N 3.31Å; G361-L363 VanDerWaalsContact C-N 3.26Å; G361-L363 PolarHBondContact O-N 3.44Å |
| 362 | K | 94.1 | Very high | 94.7 | Very high | 80 Ų | 80 | 49.6 Ų | 49.6 | 35% | 0.348 | 25% | 0.247 | S | C | . | . | trans | -82.7 | 66.9 | 177.3 | -56.8 | -171.2 | -166.5 | 166.3 | 0 | 111.1 | E333 R357 L360 Q364 E365 A366 | E333-K362 VanDerWaalsContact CD-NZ 3.33Å; E333-K362 IonicContact OE1-NZ 3.11Å; E333-K362 PolarHBondContact OE1-NZ 3.48Å; E333-K362 VanDerWaalsContact OE1-NZ 3.11Å; E333-K362 IonicContact OE2-NZ 3.95Å; E333-K362 PolarHBondContact OE2-NZ 3.47Å; R357-K362 HydrophobicContact CB-CB 4.18Å; R357-K362 HydrophobicContact CG-CB 4.47Å; R357-K362 PolarHBondContact O-N 3.27Å; L360-K362 VanDerWaalsContact C-N 3.34Å; L360-K362 HydrophobicContact CB-CG 4.32Å; K362-Q364 PolarHBondContact O-N 3Å; K362-E365 HydrophobicContact CB-CB 4.47Å; K362-E365 WeakPolarHBondContact CD-OE2 3.47Å; K362-E365 IonicContact NZ-OE2 3.69Å; K362-E365 PolarHBondContact O-N 3.37Å; K362-A366 WeakPolarHBondContact O-CB 3.37Å; K362-A366 PolarHBondContact O-N 2.85Å; K362-A366 VanDerWaalsContact O-N 3.1Å | ||
| 363 | L | 93.3 | Very high | 94.6 | Very high | 65 Ų | 65 | 48.1 Ų | 48.1 | 34% | 0.34 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.9 | -35.9 | -169.3 | -58.6 | 179 | 0 | 0 | 0 | 114 | L358 G361 K367 L390 | L358-L363 HydrophobicContact CD2-CD2 3.86Å; G361-L363 VanDerWaalsContact C-N 3.26Å; G361-L363 PolarHBondContact O-N 3.44Å; L363-K367 WeakPolarHBondContact O-CG 3.34Å; L363-K367 PolarHBondContact O-N 2.98Å; L363-K367 VanDerWaalsContact O-N 3.08Å; L363-L390 HydrophobicContact CD2-CD2 3.73Å |
| 364 | Q | 91.1 | Very high | 94.5 | Very high | 112 Ų | 112 | 48.5 Ų | 48.5 | 52% | 0.523 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.7 | -46.3 | -177.8 | -62.1 | -59.9 | -18.4 | 0 | 0 | 111.8 | K362 A366 K367 E368 | K362-Q364 PolarHBondContact O-N 3Å; Q364-A366 VanDerWaalsContact C-N 3.31Å; Q364-A366 PolarHBondContact O-N 2.92Å; Q364-K367 WeakPolarHBondContact O-CB 3.43Å; Q364-K367 PolarHBondContact O-N 3.17Å; Q364-K367 VanDerWaalsContact O-N 3.15Å; Q364-E368 PolarHBondContact O-N 2.88Å |
| 365 | E | 94.4 | Very high | 94.4 | Very high | 73 Ų | 73 | 54.7 Ų | 54.7 | 34% | 0.341 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 176.5 | -62.3 | 173 | -177.1 | 0 | 0 | 111.5 | R357 K362 K367 E368 D369 | R357-E365 IonicContact CZ-OE2 2.87Å; R357-E365 IonicContact NE-OE2 2.63Å; R357-E365 PolarHBondContact NE-OE2 3.33Å; R357-E365 IonicContact NH2-OE2 3.25Å; K362-E365 HydrophobicContact CB-CB 4.47Å; K362-E365 WeakPolarHBondContact CD-OE2 3.47Å; K362-E365 IonicContact NZ-OE2 3.69Å; K362-E365 PolarHBondContact O-N 3.37Å; E365-K367 PolarHBondContact O-N 3.42Å; E365-E368 WeakPolarHBondContact O-CB 3.36Å; E365-E368 PolarHBondContact O-N 3.33Å; E365-D369 PolarHBondContact O-N 2.69Å |
| 366 | A | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R357 L358 K362 Q364 E368 D369 F370 | R357-A366 HydrophobicContact CB-CB 3.99Å; L358-A366 HydrophobicContact CD2-CB 3.5Å; L358-A366 HydrophobicContact CG-CB 3.89Å; K362-A366 WeakPolarHBondContact O-CB 3.37Å; K362-A366 PolarHBondContact O-N 2.85Å; K362-A366 VanDerWaalsContact O-N 3.1Å; Q364-A366 VanDerWaalsContact C-N 3.31Å; Q364-A366 PolarHBondContact O-N 2.92Å; A366-E368 VanDerWaalsContact C-N 3.28Å; A366-E368 PolarHBondContact O-N 3.25Å; A366-D369 PolarHBondContact O-N 3.15Å; A366-F370 HydrophobicContact CB-CE2 4.28Å; A366-F370 WeakPolarHBondContact O-CD2 3.24Å; A366-F370 PolarHBondContact O-N 3.4Å |
| 367 | K | 94.2 | Very high | 93.9 | Very high | 31 Ų | 31 | 58.5 Ų | 58.5 | 14% | 0.135 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60 | -38.6 | 174.5 | -75 | 171.2 | 179.2 | 179.6 | 0 | 111.5 | L363 Q364 E365 R371 L387 L390 | L363-K367 WeakPolarHBondContact O-CG 3.34Å; L363-K367 PolarHBondContact O-N 2.98Å; L363-K367 VanDerWaalsContact O-N 3.08Å; Q364-K367 WeakPolarHBondContact O-CB 3.43Å; Q364-K367 PolarHBondContact O-N 3.17Å; Q364-K367 VanDerWaalsContact O-N 3.15Å; E365-K367 PolarHBondContact O-N 3.42Å; K367-R371 WeakPolarHBondContact O-CB 3.43Å; K367-R371 VanDerWaalsContact O-CG 3.27Å; K367-R371 WeakPolarHBondContact O-CG 3.44Å; K367-R371 PolarHBondContact O-N 2.76Å; K367-L387 HydrophobicContact CB-CD2 4.19Å; K367-L387 HydrophobicContact CG-CD2 4.18Å; K367-L390 HydrophobicContact CD-CB 4.49Å; K367-L390 VanDerWaalsContact CE-CB 3.48Å; K367-L390 WeakPolarHBondContact CE-O 3.27Å; K367-L390 HydrophobicContact CG-CB 4.14Å; K367-L390 HydrophobicContact CG-CD1 3.88Å; K367-L390 PolarHBondContact NZ-O 3.32Å |
| 368 | E | 94.5 | Very high | 93.6 | Very high | 116 Ų | 116 | 61.8 Ų | 61.8 | 54% | 0.542 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 176.8 | -68.2 | 173.8 | -179.5 | 0 | 0 | 111.8 | Q364 E365 A366 F370 R371 R372 | Q364-E368 PolarHBondContact O-N 2.88Å; E365-E368 WeakPolarHBondContact O-CB 3.36Å; E365-E368 PolarHBondContact O-N 3.33Å; A366-E368 VanDerWaalsContact C-N 3.28Å; A366-E368 PolarHBondContact O-N 3.25Å; E368-F370 VanDerWaalsContact C-N 3.35Å; E368-F370 PolarHBondContact O-N 3.37Å; E368-R371 PolarHBondContact O-N 3Å; E368-R372 PolarHBondContact O-N 3.49Å |
| 369 | D | 95.4 | Very high | 93.3 | Very high | 6 Ų | 6 | 63.1 Ų | 63.1 | 3% | 0.032 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60 | -43.5 | 176.7 | -76.9 | -25.7 | 0 | 0 | 0 | 111.9 | R353 R357 E365 A366 R372 L373 | R353-D369 IonicContact CZ-OD1 2.69Å; R353-D369 IonicContact CZ-OD2 3.31Å; R353-D369 IonicContact NE-OD1 2.7Å; R353-D369 PolarHBondContact NE-OD1 3.46Å; R353-D369 IonicContact NE-OD2 2.77Å; R353-D369 PolarHBondContact NE-OD2 3.05Å; R353-D369 IonicContact NH2-OD1 3.54Å; R353-D369 PolarHBondContact NH2-OD1 2.7Å; R353-D369 IonicContact NH2-OD2 3.02Å; R357-D369 WeakPolarHBondContact CD-OD2 3.39Å; R357-D369 IonicContact CZ-OD2 3.39Å; R357-D369 IonicContact NE-OD2 3.98Å; R357-D369 IonicContact NH1-OD1 2.67Å; R357-D369 PolarHBondContact NH1-OD1 3.06Å; R357-D369 IonicContact NH1-OD2 3.36Å; R357-D369 PolarHBondContact NH1-OD2 2.78Å; E365-D369 PolarHBondContact O-N 2.69Å; A366-D369 PolarHBondContact O-N 3.15Å; D369-R372 PolarHBondContact O-N 3.32Å; D369-L373 WeakPolarHBondContact O-CB 3.47Å; D369-L373 PolarHBondContact O-N 2.93Å |
| 370 | F | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.6 | -33.6 | 176.3 | -66.8 | -56.3 | 0 | 0 | 0 | 113.1 | L358 A366 E368 L373 L374 A383 E386 L387 L390 | L358-F370 HydrophobicContact CD1-CE2 3.78Å; L358-F370 HydrophobicContact CD1-CZ 4Å; L358-F370 HydrophobicContact CG-CE2 4.07Å; A366-F370 HydrophobicContact CB-CE2 4.28Å; A366-F370 WeakPolarHBondContact O-CD2 3.24Å; A366-F370 PolarHBondContact O-N 3.4Å; E368-F370 VanDerWaalsContact C-N 3.35Å; E368-F370 PolarHBondContact O-N 3.37Å; F370-L373 HydrophobicContact CD1-CD2 4.23Å; F370-L373 WeakPolarHBondContact O-CB 3.48Å; F370-L373 PolarHBondContact O-N 3.4Å; F370-L374 WeakPolarHBondContact O-CG 3.35Å; F370-L374 PolarHBondContact O-N 3.49Å; F370-A383 HydrophobicContact CD1-CB 4.21Å; F370-E386 HydrophobicContact CD2-CB 4.27Å; F370-E386 HydrophobicContact CE1-CB 4.23Å; F370-E386 HydrophobicContact CE1-CG 4.41Å; F370-E386 HydrophobicContact CE2-CB 3.88Å; F370-E386 HydrophobicContact CZ-CB 3.85Å; F370-E386 HydrophobicContact CZ-CG 4.09Å; F370-L387 HydrophobicContact CB-CD1 3.71Å; F370-L387 HydrophobicContact CB-CD2 3.91Å; F370-L387 HydrophobicContact CB-CG 3.55Å; F370-L387 HydrophobicContact CG-CG 4.35Å; F370-L390 HydrophobicContact CD2-CD1 4.03Å; F370-L390 HydrophobicContact CE2-CD1 4.12Å |
| 371 | R | 94.4 | Very high | 93.1 | Very high | 133 Ų | 133 | 67.2 Ų | 67.2 | 50% | 0.502 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65 | -43.5 | 172.3 | -77.3 | 174.4 | -172 | 144.3 | -1 | 111 | K367 E368 L373 L374 Q375 L387 | K367-R371 WeakPolarHBondContact O-CB 3.43Å; K367-R371 VanDerWaalsContact O-CG 3.27Å; K367-R371 WeakPolarHBondContact O-CG 3.44Å; K367-R371 PolarHBondContact O-N 2.76Å; E368-R371 PolarHBondContact O-N 3Å; R371-L373 VanDerWaalsContact C-N 3.32Å; R371-L374 PolarHBondContact O-N 3.44Å; R371-Q375 WeakPolarHBondContact O-CG 3.5Å; R371-Q375 PolarHBondContact O-N 3.37Å; R371-L387 HydrophobicContact CG-CD1 4.45Å |
| 372 | R | 94.1 | Very high | 92.9 | Very high | 86 Ų | 86 | 69.3 Ų | 69.3 | 33% | 0.325 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 176 | -174.2 | 57.5 | 176.3 | 158.8 | 1.9 | 110.9 | D344 F350 E368 D369 L374 Q375 L376 | D344-R372 IonicContact OD2-CZ 3.56Å; D344-R372 IonicContact OD2-NE 2.78Å; D344-R372 IonicContact OD2-NH2 3.51Å; D344-R372 PolarHBondContact OD2-NH2 3.1Å; F350-R372 HydrophobicContact CD1-CB 4.14Å; F350-R372 HydrophobicContact CD1-CG 3.96Å; F350-R372 HydrophobicContact CE1-CB 4.21Å; F350-R372 HydrophobicContact CE1-CG 3.63Å; F350-R372 HydrophobicContact CE2-CG 4.22Å; F350-R372 HydrophobicContact CG-CG 4.39Å; F350-R372 HydrophobicContact CZ-CG 3.77Å; E368-R372 PolarHBondContact O-N 3.49Å; D369-R372 PolarHBondContact O-N 3.32Å; R372-L374 VanDerWaalsContact C-N 3.33Å; R372-L374 PolarHBondContact O-N 2.96Å; R372-Q375 WeakPolarHBondContact O-CB 3.49Å; R372-Q375 PolarHBondContact O-N 2.84Å; R372-Q375 VanDerWaalsContact O-N 3.11Å; R372-L376 PolarHBondContact O-N 3.38Å; R372-L376 VanDerWaalsContact O-N 3.13Å |
| 373 | L | 95.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.3 | -43.2 | 172.7 | 177.3 | 57.3 | 0 | 0 | 0 | 112.4 | S347 F350 A351 D369 F370 R371 Q375 L376 E377 A383 | S347-L373 WeakPolarHBondContact O-CD1 3.45Å; F350-L373 HydrophobicContact CB-CB 4.21Å; A351-L373 HydrophobicContact CB-CD2 3.61Å; D369-L373 WeakPolarHBondContact O-CB 3.47Å; D369-L373 PolarHBondContact O-N 2.93Å; F370-L373 HydrophobicContact CD1-CD2 4.23Å; F370-L373 WeakPolarHBondContact O-CB 3.48Å; F370-L373 PolarHBondContact O-N 3.4Å; R371-L373 VanDerWaalsContact C-N 3.32Å; L373-Q375 VanDerWaalsContact C-N 3.31Å; L373-Q375 PolarHBondContact O-N 3.24Å; L373-L376 PolarHBondContact O-N 2.9Å; L373-E377 PolarHBondContact O-N 2.76Å; L373-A383 HydrophobicContact CD2-CB 3.66Å; L373-A383 HydrophobicContact CG-CB 4.04Å |
| 374 | L | 94 | Very high | 92.7 | Very high | 36 Ų | 36 | 66.5 Ų | 66.5 | 19% | 0.188 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.5 | -25.7 | 176.4 | -72.6 | 177.5 | 0 | 0 | 0 | 113.9 | F370 R371 R372 E377 P378 A383 L384 L387 | F370-L374 WeakPolarHBondContact O-CG 3.35Å; F370-L374 PolarHBondContact O-N 3.49Å; R371-L374 PolarHBondContact O-N 3.44Å; R372-L374 VanDerWaalsContact C-N 3.33Å; R372-L374 PolarHBondContact O-N 2.96Å; L374-E377 CarbonylContact O-C 3.29Å; L374-P378 WeakPolarHBondContact O-CA 3.45Å; L374-A383 HydrophobicContact CD2-CB 3.79Å; L374-A383 HydrophobicContact CG-CB 3.93Å; L374-L384 HydrophobicContact CD1-CD2 3.78Å; L374-L384 HydrophobicContact CD1-CG 4.46Å; L374-L384 HydrophobicContact CD2-CD2 3.98Å; L374-L384 HydrophobicContact CD2-CG 3.91Å; L374-L387 HydrophobicContact CD1-CD1 3.42Å; L374-L387 VanDerWaalsContact CD1-CD1 3.42Å; L374-L387 HydrophobicContact CG-CD1 4.35Å |
| 375 | Q | 93.3 | Very high | 92.7 | Very high | 130 Ų | 130 | 65.3 Ų | 65.3 | 61% | 0.607 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68.9 | -38.1 | 171.5 | -69.2 | 172.5 | -0.4 | 0 | 0 | 111.4 | R371 R372 L373 | R371-Q375 WeakPolarHBondContact O-CG 3.5Å; R371-Q375 PolarHBondContact O-N 3.37Å; R372-Q375 WeakPolarHBondContact O-CB 3.49Å; R372-Q375 PolarHBondContact O-N 2.84Å; R372-Q375 VanDerWaalsContact O-N 3.11Å; L373-Q375 VanDerWaalsContact C-N 3.31Å; L373-Q375 PolarHBondContact O-N 3.24Å |
| 376 | L | 92 | Very high | 92.5 | Very high | 56 Ų | 56 | 63.9 Ų | 63.9 | 29% | 0.293 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -76.4 | -44.1 | 176.6 | -62.9 | 174.4 | 0 | 0 | 0 | 111.5 | F350 R372 L373 | F350-L376 HydrophobicContact CD2-CD1 3.94Å; F350-L376 HydrophobicContact CE2-CD1 3.93Å; R372-L376 PolarHBondContact O-N 3.38Å; R372-L376 VanDerWaalsContact O-N 3.13Å; L373-L376 PolarHBondContact O-N 2.9Å |
| 377 | E | 91.1 | Very high | 92.3 | Very high | 74 Ų | 74 | 64.7 Ų | 64.7 | 35% | 0.346 | 33% | 0.325 | S | S | . | . | trans | -129.2 | 86.7 | -177.9 | -67.5 | -177.9 | 178 | 0 | 0 | 111.7 | S347 L373 L374 G379 N380 | S347-E377 VanDerWaalsContact CB-OE1 3.25Å; S347-E377 WeakPolarHBondContact CB-OE1 3.38Å; S347-E377 VanDerWaalsContact OG-CD 3.31Å; S347-E377 PolarHBondContact OG-OE1 2.87Å; L373-E377 PolarHBondContact O-N 2.76Å; L374-E377 CarbonylContact O-C 3.29Å; E377-G379 PolarHBondContact O-N 3.29Å; E377-N380 HydrophobicContact CB-CB 4.12Å; E377-N380 PolarHBondContact O-N 3.48Å; E377-N380 PolarHBondContact OE2-ND2 3.4Å | ||
| 378 | P | 89.8 | Confident | 92.1 | Very high | 102 Ų | 102 | 68.7 Ų | 68.7 | 66% | 0.662 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -18.1 | -179 | -25.6 | 34.7 | 0 | 0 | 0 | 115 | L374 | L374-P378 WeakPolarHBondContact O-CA 3.45Š|
| 379 | G | 89.4 | Confident | 91.8 | Very high | 65 Ų | 65 | 68.4 Ų | 68.4 | 67% | 0.67 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 3.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | E377 K381 | E377-G379 PolarHBondContact O-N 3.29Å; G379-K381 PolarHBondContact O-N 2.94Å; G379-K381 VanDerWaalsContact O-N 3.11Å |
| 380 | N | 91.9 | Very high | 91.3 | Very high | 31 Ų | 31 | 69 Ų | 69 | 17% | 0.166 | 34% | 0.344 | C | S | . | . | trans | -75.4 | 104.3 | -172.8 | -165.1 | -39.8 | 0 | 0 | 0 | 112.1 | E377 Q382 A383 L384 | E377-N380 HydrophobicContact CB-CB 4.12Å; E377-N380 PolarHBondContact O-N 3.48Å; E377-N380 PolarHBondContact OE2-ND2 3.4Å; N380-Q382 VanDerWaalsContact C-N 3.31Å; N380-Q382 PolarHBondContact O-N 3.37Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.39Å; N380-Q382 PolarHBondContact OD1-N 2.92Å; N380-Q382 VanDerWaalsContact OD1-N 3.08Å; N380-A383 HydrophobicContact CB-CB 4.24Å; N380-A383 PolarHBondContact O-N 3.16Å; N380-A383 PolarHBondContact OD1-N 3.44Å; N380-L384 PolarHBondContact O-N 3.37Å | ||
| 381 | K | 90.4 | Very high | 90.6 | Very high | 163 Ų | 163 | 75.4 Ų | 75.4 | 71% | 0.709 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.8 | -32.8 | -178.8 | -63.1 | -179.8 | -176.8 | 175.1 | 0 | 113.2 | G379 N385 | G379-K381 PolarHBondContact O-N 2.94Å; G379-K381 VanDerWaalsContact O-N 3.11Å; K381-N385 WeakPolarHBondContact O-CB 3.11Å; K381-N385 PolarHBondContact O-N 3.22Å; K381-N385 PolarHBondContact O-ND2 3.42Å |
| 382 | Q | 88.4 | Confident | 89.8 | Confident | 96 Ų | 96 | 73.6 Ų | 73.6 | 45% | 0.449 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.8 | -49.6 | 179.8 | -178.7 | -177.1 | -8.3 | 0 | 0 | 109.8 | N380 L384 N385 E386 | N380-Q382 VanDerWaalsContact C-N 3.31Å; N380-Q382 PolarHBondContact O-N 3.37Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.39Å; N380-Q382 PolarHBondContact OD1-N 2.92Å; N380-Q382 VanDerWaalsContact OD1-N 3.08Å; Q382-L384 VanDerWaalsContact C-N 3.32Å; Q382-L384 PolarHBondContact O-N 3.26Å; Q382-N385 PolarHBondContact O-N 3.02Å; Q382-E386 HydrophobicContact CG-CG 4.46Å; Q382-E386 WeakPolarHBondContact O-CG 3.28Å; Q382-E386 PolarHBondContact O-N 3.23Å |
| 383 | A | 90.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F370 L373 L374 N380 L387 | F370-A383 HydrophobicContact CD1-CB 4.21Å; L373-A383 HydrophobicContact CD2-CB 3.66Å; L373-A383 HydrophobicContact CG-CB 4.04Å; L374-A383 HydrophobicContact CD2-CB 3.79Å; L374-A383 HydrophobicContact CG-CB 3.93Å; N380-A383 HydrophobicContact CB-CB 4.24Å; N380-A383 PolarHBondContact O-N 3.16Å; N380-A383 PolarHBondContact OD1-N 3.44Å; A383-L387 VanDerWaalsContact O-CB 3.31Å; A383-L387 WeakPolarHBondContact O-CB 3.35Å; A383-L387 WeakPolarHBondContact O-CG 3.37Å; A383-L387 PolarHBondContact O-N 3.04Å |
| 384 | L | 92.1 | Very high | 86.4 | Confident | 86 Ų | 86 | 78.3 Ų | 78.3 | 45% | 0.45 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.1 | -48.1 | 175.7 | -71.3 | 171.6 | 0 | 0 | 0 | 112.1 | L374 N380 Q382 L387 Q388 | L374-L384 HydrophobicContact CD1-CD2 3.78Å; L374-L384 HydrophobicContact CD1-CG 4.46Å; L374-L384 HydrophobicContact CD2-CD2 3.98Å; L374-L384 HydrophobicContact CD2-CG 3.91Å; N380-L384 PolarHBondContact O-N 3.37Å; Q382-L384 VanDerWaalsContact C-N 3.32Å; Q382-L384 PolarHBondContact O-N 3.26Å; L384-L387 PolarHBondContact O-N 3.17Å; L384-Q388 WeakPolarHBondContact O-CB 3.44Å; L384-Q388 PolarHBondContact O-N 3.14Å |
| 385 | N | 91.3 | Very high | 84.4 | Confident | 87 Ų | 87 | 84.2 Ų | 84.2 | 47% | 0.465 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | -179.6 | -70.6 | -14.7 | 0 | 0 | 0 | 111.6 | K381 Q382 Q388 K389 | K381-N385 WeakPolarHBondContact O-CB 3.11Å; K381-N385 PolarHBondContact O-N 3.22Å; K381-N385 PolarHBondContact O-ND2 3.42Å; Q382-N385 PolarHBondContact O-N 3.02Å; N385-Q388 PolarHBondContact O-N 3.22Å; N385-K389 WeakPolarHBondContact O-CG 2.99Å; N385-K389 PolarHBondContact O-N 2.84Å |
| 386 | E | 90.6 | Very high | 82 | Confident | 43 Ų | 43 | 83.4 Ų | 83.4 | 20% | 0.201 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 177.7 | -64.9 | -50.3 | 141.8 | 0 | 0 | 111.6 | F370 Q382 Q388 K389 L390 | F370-E386 HydrophobicContact CD2-CB 4.27Å; F370-E386 HydrophobicContact CE1-CB 4.23Å; F370-E386 HydrophobicContact CE1-CG 4.41Å; F370-E386 HydrophobicContact CE2-CB 3.88Å; F370-E386 HydrophobicContact CZ-CB 3.85Å; F370-E386 HydrophobicContact CZ-CG 4.09Å; Q382-E386 HydrophobicContact CG-CG 4.46Å; Q382-E386 WeakPolarHBondContact O-CG 3.28Å; Q382-E386 PolarHBondContact O-N 3.23Å; E386-Q388 VanDerWaalsContact C-N 3.32Å; E386-Q388 PolarHBondContact O-N 3.17Å; E386-K389 PolarHBondContact O-N 2.94Å; E386-K389 IonicContact OE1-NZ 3.91Å; E386-K389 PolarHBondContact OE1-NZ 2.92Å; E386-K389 WeakPolarHBondContact OE2-CD 3.26Å; E386-K389 IonicContact OE2-NZ 2.88Å; E386-K389 PolarHBondContact OE2-NZ 2.93Å; E386-L390 WeakPolarHBondContact O-CB 3.45Å; E386-L390 WeakPolarHBondContact O-CD1 3.49Å; E386-L390 WeakPolarHBondContact O-CG 3.48Å; E386-L390 PolarHBondContact O-N 3.4Å |
| 387 | L | 90.5 | Very high | 79.6 | Confident | 16 Ų | 16 | 85.3 Ų | 85.3 | 8% | 0.084 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -62.3 | -39 | 173.2 | -81.3 | 168.6 | 0 | 0 | 0 | 112.7 | K367 F370 R371 L374 A383 L384 L390 Q391 | K367-L387 HydrophobicContact CB-CD2 4.19Å; K367-L387 HydrophobicContact CG-CD2 4.18Å; F370-L387 HydrophobicContact CB-CD1 3.71Å; F370-L387 HydrophobicContact CB-CD2 3.91Å; F370-L387 HydrophobicContact CB-CG 3.55Å; F370-L387 HydrophobicContact CG-CG 4.35Å; R371-L387 HydrophobicContact CG-CD1 4.45Å; L374-L387 HydrophobicContact CD1-CD1 3.42Å; L374-L387 VanDerWaalsContact CD1-CD1 3.42Å; L374-L387 HydrophobicContact CG-CD1 4.35Å; A383-L387 VanDerWaalsContact O-CB 3.31Å; A383-L387 WeakPolarHBondContact O-CB 3.35Å; A383-L387 WeakPolarHBondContact O-CG 3.37Å; A383-L387 PolarHBondContact O-N 3.04Å; L384-L387 PolarHBondContact O-N 3.17Å; L387-L390 CarbonylContact O-C 3.59Å; L387-L390 PolarHBondContact O-N 2.9Å; L387-Q391 WeakPolarHBondContact O-CB 3.46Å; L387-Q391 VanDerWaalsContact O-CG 3.26Å; L387-Q391 WeakPolarHBondContact O-CG 3.43Å; L387-Q391 PolarHBondContact O-N 3.06Å |
| 388 | Q | 89.1 | Confident | 77 | Confident | 115 Ų | 115 | 84.8 Ų | 84.8 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 176.3 | -174 | 178.5 | 5.1 | 0 | 0 | 111.2 | L384 N385 E386 L390 Q391 T392 | L384-Q388 WeakPolarHBondContact O-CB 3.44Å; L384-Q388 PolarHBondContact O-N 3.14Å; N385-Q388 PolarHBondContact O-N 3.22Å; E386-Q388 VanDerWaalsContact C-N 3.32Å; E386-Q388 PolarHBondContact O-N 3.17Å; Q388-L390 VanDerWaalsContact C-N 3.28Å; Q388-L390 PolarHBondContact O-N 2.94Å; Q388-Q391 WeakPolarHBondContact O-CB 3.42Å; Q388-Q391 PolarHBondContact O-N 3.3Å; Q388-Q391 VanDerWaalsContact O-N 3.08Å; Q388-T392 PolarHBondContact O-N 3.47Å; Q388-T392 PolarHBondContact O-OG1 2.98Å |
| 389 | K | 88.3 | Confident | 74.6 | Confident | 111 Ų | 111 | 84.2 Ų | 84.2 | 48% | 0.483 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.5 | -43.7 | 174 | -70.3 | 170.5 | -172.9 | 172.9 | 0 | 111.5 | N385 E386 Q391 T392 D393 | N385-K389 WeakPolarHBondContact O-CG 2.99Å; N385-K389 PolarHBondContact O-N 2.84Å; E386-K389 PolarHBondContact O-N 2.94Å; E386-K389 IonicContact OE1-NZ 3.91Å; E386-K389 PolarHBondContact OE1-NZ 2.92Å; E386-K389 WeakPolarHBondContact OE2-CD 3.26Å; E386-K389 IonicContact OE2-NZ 2.88Å; E386-K389 PolarHBondContact OE2-NZ 2.93Å; K389-Q391 PolarHBondContact O-N 2.89Å; K389-T392 WeakPolarHBondContact CA-OG1 3.44Å; K389-T392 PolarHBondContact O-N 3.42Å; K389-T392 PolarHBondContact O-OG1 3.38Å; K389-D393 PolarHBondContact O-N 3.32Å |
| 390 | L | 85.9 | Confident | 72.1 | Confident | 17 Ų | 17 | 89.6 Ų | 89.6 | 9% | 0.089 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -71.3 | -15.7 | 178.8 | -64.9 | 167.2 | 0 | 0 | 0 | 114.1 | L358 L363 K367 F370 E386 L387 Q388 | L358-L390 HydrophobicContact CD2-CD1 3.79Å; L358-L390 HydrophobicContact CD2-CD2 3.46Å; L358-L390 VanDerWaalsContact CD2-CD2 3.46Å; L358-L390 HydrophobicContact CD2-CG 4.12Å; L363-L390 HydrophobicContact CD2-CD2 3.73Å; K367-L390 HydrophobicContact CD-CB 4.49Å; K367-L390 VanDerWaalsContact CE-CB 3.48Å; K367-L390 WeakPolarHBondContact CE-O 3.27Å; K367-L390 HydrophobicContact CG-CB 4.14Å; K367-L390 HydrophobicContact CG-CD1 3.88Å; K367-L390 PolarHBondContact NZ-O 3.32Å; F370-L390 HydrophobicContact CD2-CD1 4.03Å; F370-L390 HydrophobicContact CE2-CD1 4.12Å; E386-L390 WeakPolarHBondContact O-CB 3.45Å; E386-L390 WeakPolarHBondContact O-CD1 3.49Å; E386-L390 WeakPolarHBondContact O-CG 3.48Å; E386-L390 PolarHBondContact O-N 3.4Å; L387-L390 CarbonylContact O-C 3.59Å; L387-L390 PolarHBondContact O-N 2.9Å; Q388-L390 VanDerWaalsContact C-N 3.28Å; Q388-L390 PolarHBondContact O-N 2.94Å |
| 391 | Q | 80.9 | Confident | 69.5 | Low | 135 Ų | 135 | 96.1 Ų | 96.1 | 63% | 0.631 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -89.5 | -30.7 | 172.7 | -76.9 | 173.9 | -5.8 | 0 | 0 | 112.4 | L387 Q388 K389 D393 P394 | L387-Q391 WeakPolarHBondContact O-CB 3.46Å; L387-Q391 VanDerWaalsContact O-CG 3.26Å; L387-Q391 WeakPolarHBondContact O-CG 3.43Å; L387-Q391 PolarHBondContact O-N 3.06Å; Q388-Q391 WeakPolarHBondContact O-CB 3.42Å; Q388-Q391 PolarHBondContact O-N 3.3Å; Q388-Q391 VanDerWaalsContact O-N 3.08Å; K389-Q391 PolarHBondContact O-N 2.89Å; Q391-D393 VanDerWaalsContact C-N 3.34Å; Q391-P394 WeakPolarHBondContact O-CD 3.28Å |
| 392 | T | 76.9 | Confident | 67 | Low | 95 Ų | 95 | 93.2 Ų | 93.2 | 58% | 0.583 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -76.1 | -20.7 | 176.6 | 46.7 | 0 | 0 | 0 | 0 | 113.5 | Q388 K389 P394 | Q388-T392 PolarHBondContact O-N 3.47Å; Q388-T392 PolarHBondContact O-OG1 2.98Å; K389-T392 WeakPolarHBondContact CA-OG1 3.44Å; K389-T392 PolarHBondContact O-N 3.42Å; K389-T392 PolarHBondContact O-OG1 3.38Å; T392-P394 WeakPolarHBondContact O-CD 3.35Å |
| 393 | D | 62.7 | Low | 64.4 | Low | 114 Ų | 114 | 96.7 Ų | 96.7 | 61% | 0.61 | 55% | 0.554 | S | S | * | * | trans | -106.5 | 59.7 | 173.1 | -70.7 | -33.2 | 0 | 0 | 0 | 113.1 | K389 Q391 D395 | K389-D393 PolarHBondContact O-N 3.32Å; Q391-D393 VanDerWaalsContact C-N 3.34Å; D393-D395 VanDerWaalsContact C-N 3.26Å; D393-D395 PolarHBondContact O-N 3.18Å | ||
| 394 | P | 56.4 | Low | 61.9 | Low | 72 Ų | 72 | 104.7 Ų | 104.7 | 47% | 0.468 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -74.6 | -18.1 | 174.1 | 32.7 | -31.5 | 0 | 0 | 0 | 112.3 | Q391 T392 C396 S397 | Q391-P394 WeakPolarHBondContact O-CD 3.28Å; T392-P394 WeakPolarHBondContact O-CD 3.35Å; P394-C396 PolarHBondContact O-N 3.39Å; P394-S397 PolarHBondContact O-OG 3.32Å |
| 395 | D | 50.4 | Low | 59.4 | Low | 161 Ų | 161 | 103.7 Ų | 103.7 | 86% | 0.861 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -90.2 | 11.6 | -171.8 | -75.1 | -25.9 | 0 | 0 | 0 | 115.1 | D393 | D393-D395 VanDerWaalsContact C-N 3.26Å; D393-D395 PolarHBondContact O-N 3.18Å |
| 396 | C | 44.4 | Very low | 57.1 | Low | 113 Ų | 113 | 104.1 Ų | 104.1 | 76% | 0.764 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -105.3 | 19.3 | 170.1 | -122.7 | 0 | 0 | 0 | 0 | 113.2 | P394 | P394-C396 PolarHBondContact O-N 3.39Š|
| 397 | S | 40.3 | Very low | 54.7 | Low | 95 Ų | 95 | 111 Ų | 111 | 66% | 0.664 | 66% | 0.655 | S | S | * | * | trans | -105.3 | 52.3 | 170.7 | 65.9 | 0 | 0 | 0 | 0 | 112.1 | P394 | P394-S397 PolarHBondContact O-OG 3.32Š| ||
| 398 | G | 37.8 | Very low | 52.4 | Low | 64 Ų | 64 | 121.7 Ų | 121.7 | 66% | 0.66 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -150.8 | 98.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 399 | A | 38.5 | Very low | 50.4 | Low | 90 Ų | 90 | 127.6 Ų | 127.6 | 74% | 0.744 | 71% | 0.712 | S | S | * | * | trans | 57.2 | 100.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 400 | L | 36.8 | Very low | 48.4 | Very low | 178 Ų | 178 | 128.6 Ų | 128.6 | 93% | 0.932 | 73% | 0.727 | S | S | * | * | trans | -125.4 | 64.6 | 133.5 | -72.4 | 175.6 | 0 | 0 | 0 | 108.1 | ||||
| 401 | Q | 36.9 | Very low | 46.5 | Very low | 168 Ų | 168 | 134 Ų | 134 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -67 | 125.2 | 142.9 | -78.1 | 175.4 | -7.9 | 0 | 0 | 105.3 | E403 | Q401-E403 PolarHBondContact O-N 3.46Š| ||
| 402 | A | 38.8 | Very low | 45 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | -64.4 | 102.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 403 | E | 33.7 | Very low | 43.3 | Very low | 169 Ų | 169 | 136.8 Ų | 136.8 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -126.9 | 130.5 | 163.9 | -77.7 | -74.4 | 158.3 | 0 | 0 | 107.4 | Q401 | Q401-E403 PolarHBondContact O-N 3.46Š| ||
| 404 | D | 37.6 | Very low | 43.1 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | -51.2 | 147.6 | 179.7 | -95.2 | -42.6 | 0 | 0 | 0 | 113.1 | ||||
| 405 | G | 39.8 | Very low | 43.3 | Very low | 65 Ų | 65 | 140.4 Ų | 140.4 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | trans | 104.7 | 101.5 | 151.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 406 | A | 43.6 | Very low | 43.6 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | 43.5 | 84.8 | 139.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 407 | Q | 39.9 | Very low | 44.9 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | trans | -141.7 | 109.5 | 138.3 | -106.3 | 109 | 9.5 | 0 | 0 | 111.2 | R409 | Q407-R409 PolarHBondContact O-N 2.98Š| ||
| 408 | R | 42.3 | Very low | 46 | Very low | 242 Ų | 242 | 141 Ų | 141 | 91% | 0.913 | 78% | 0.778 | S | S | * | * | trans | -60 | 123.7 | 164.7 | -73 | 177.3 | 175.6 | 178.3 | -2.5 | 107.7 | T410 | R408-T410 PolarHBondContact O-N 3.42Š| ||
| 409 | R | 45.6 | Very low | 47.4 | Very low | 239 Ų | 239 | 145.4 Ų | 145.4 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | -57.2 | 110.8 | 173.8 | -68.8 | 178.1 | 176.8 | 178.1 | -2.6 | 109.3 | Q407 V411 | Q407-R409 PolarHBondContact O-N 2.98Å; R409-V411 PolarHBondContact O-N 3.27Å | ||
| 410 | T | 46.9 | Very low | 48.7 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -70.3 | 109.7 | 172.8 | -56.1 | 0 | 0 | 0 | 0 | 108.9 | R408 Q412 | R408-T410 PolarHBondContact O-N 3.42Å; T410-Q412 PolarHBondContact O-N 3.04Å | ||
| 411 | V | 46.6 | Very low | 50.1 | Low | 132 Ų | 132 | 145.2 Ų | 145.2 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 119.4 | 173.5 | 179.2 | 0 | 0 | 0 | 0 | 108.3 | R409 | R409-V411 PolarHBondContact O-N 3.27Š|
| 412 | Q | 48.9 | Very low | 51.8 | Low | 164 Ų | 164 | 141.9 Ų | 141.9 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 139.4 | 170 | -67.8 | -156.8 | 11.9 | 0 | 0 | 110.6 | T410 V414 | T410-Q412 PolarHBondContact O-N 3.04Å; Q412-V414 PolarHBondContact O-N 3.37Å |
| 413 | P | 42.3 | Very low | 53.2 | Low | 123 Ų | 123 | 143.9 Ų | 143.9 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 125.2 | 176.5 | -14.9 | 28.2 | 0 | 0 | 0 | 110.6 | ||
| 414 | V | 58.6 | Low | 55.1 | Low | 127 Ų | 127 | 143.8 Ų | 143.8 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -91.9 | 110.8 | 169.5 | 177.3 | 0 | 0 | 0 | 0 | 108 | Q412 K416 | Q412-V414 PolarHBondContact O-N 3.37Å; V414-K416 PolarHBondContact O-N 3.03Å; V414-K416 VanDerWaalsContact O-N 3.13Å | ||
| 415 | D | 59.4 | Low | 56.7 | Low | 135 Ų | 135 | 141.7 Ų | 141.7 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | trans | -71.8 | 104.4 | 174.5 | -93 | -42.2 | 0 | 0 | 0 | 110.6 | R421 | D415-R421 IonicContact OD1-NH2 3.37Å; D415-R421 PolarHBondContact OD1-NH2 2.78Å | ||
| 416 | K | 58.1 | Low | 58.2 | Low | 137 Ų | 137 | 146.9 Ų | 146.9 | 60% | 0.596 | 76% | 0.757 | S | S | * | * | trans | -74.7 | 128.4 | 171 | -70.5 | 176.9 | -179.1 | 177.3 | 0 | 109.6 | V414 R421 | V414-K416 PolarHBondContact O-N 3.03Å; V414-K416 VanDerWaalsContact O-N 3.13Å; K416-R421 PolarHBondContact O-NE 3.03Å; K416-R421 VanDerWaalsContact O-NE 3.16Å | ||
| 417 | P | 70.5 | Confident | 59.1 | Low | 69 Ų | 69 | 153.7 Ų | 153.7 | 45% | 0.448 | 76% | 0.763 | S | S | . | * | trans | -62.5 | 149.9 | 178.6 | 26.1 | -34.1 | 0 | 0 | 0 | 111.5 | H419 L420 | P417-H419 VanDerWaalsContact CG-CE1 3.45Å; P417-H419 WeakPolarHBondContact CG-CE1 3.28Å; P417-H419 PolarHBondContact O-N 3.22Å; P417-L420 HydrophobicContact CG-CD1 4.2Å; P417-L420 PolarHBondContact O-N 2.98Å | ||
| 418 | E | 63.1 | Low | 60.5 | Low | 177 Ų | 177 | 156.4 Ų | 156.4 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -55.3 | -31.4 | -164.1 | -69.3 | -174.6 | 153 | 0 | 0 | 114.8 | L420 R421 | E418-L420 PolarHBondContact O-N 3.49Å; E418-R421 PolarHBondContact O-N 3.33Å |
| 419 | H | 67.6 | Low | 61.4 | Low | 155 Ų | 155 | 152 Ų | 152 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -71.7 | -12.1 | 179.6 | 66 | -81.5 | 0 | 0 | 0 | 114.5 | P417 | P417-H419 VanDerWaalsContact CG-CE1 3.45Å; P417-H419 WeakPolarHBondContact CG-CE1 3.28Å; P417-H419 PolarHBondContact O-N 3.22Å |
| 420 | L | 66.1 | Low | 61.6 | Low | 116 Ų | 116 | 147.9 Ų | 147.9 | 61% | 0.607 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -109.5 | 5.6 | 177.7 | -66.4 | 172.9 | 0 | 0 | 0 | 113.1 | P417 E418 | P417-L420 HydrophobicContact CG-CD1 4.2Å; P417-L420 PolarHBondContact O-N 2.98Å; E418-L420 PolarHBondContact O-N 3.49Å |
| 421 | R | 66.6 | Low | 61.7 | Low | 148 Ų | 148 | 149.2 Ų | 149.2 | 56% | 0.558 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -82.5 | 128.8 | 175.9 | -71.2 | -172.4 | 177.8 | -154.8 | -1.7 | 109.9 | D415 K416 E418 T423 | D415-R421 IonicContact OD1-NH2 3.37Å; D415-R421 PolarHBondContact OD1-NH2 2.78Å; K416-R421 PolarHBondContact O-NE 3.03Å; K416-R421 VanDerWaalsContact O-NE 3.16Å; E418-R421 PolarHBondContact O-N 3.33Å; R421-T423 PolarHBondContact O-N 3.36Å |
| 422 | S | 70.9 | Confident | 61.9 | Low | 98 Ų | 98 | 151.5 Ų | 151.5 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | trans | -60.8 | 129.2 | 171.3 | 170.8 | 0 | 0 | 0 | 0 | 109.7 | K424 | S422-K424 PolarHBondContact O-N 3.2Å; S422-K424 PolarHBondContact OG-N 2.92Å | ||
| 423 | T | 68.6 | Low | 61.5 | Low | 144 Ų | 144 | 152.3 Ų | 152.3 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -79 | -2.9 | 177.1 | 53.5 | 0 | 0 | 0 | 0 | 113.3 | R421 | R421-T423 PolarHBondContact O-N 3.36Š|
| 424 | K | 74.6 | Confident | 61.6 | Low | 167 Ų | 167 | 154.4 Ų | 154.4 | 73% | 0.726 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -87.2 | 125.4 | 179.2 | -70.2 | -178.8 | 178.9 | 177.3 | 0 | 110.9 | S422 | S422-K424 PolarHBondContact O-N 3.2Å; S422-K424 PolarHBondContact OG-N 2.92Å |
| 425 | P | 70.6 | Confident | 60.6 | Low | 124 Ų | 124 | 154 Ų | 154 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 135.2 | 176.1 | 26.9 | -32.8 | 0 | 0 | 0 | 110.9 | ||
| 426 | L | 71.4 | Confident | 59.5 | Low | 174 Ų | 174 | 150.4 Ų | 150.4 | 91% | 0.911 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 137.7 | 178.1 | -67 | 163.3 | 0 | 0 | 0 | 110.3 | ||
| 427 | R | 63.4 | Low | 58.5 | Low | 240 Ų | 240 | 154.2 Ų | 154.2 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 134.2 | 171 | -68.9 | -173.4 | -159.7 | -178.4 | 5.6 | 109.8 | ||
| 428 | R | 68.8 | Low | 56.7 | Low | 242 Ų | 242 | 159.3 Ų | 159.3 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 134.8 | 169.2 | -72.6 | -176.6 | 175.2 | -176.1 | -1.8 | 109.4 | ||
| 429 | I | 59.9 | Low | 55.1 | Low | 149 Ų | 149 | 155.1 Ų | 155.1 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | -118.4 | 120.4 | 169.6 | -57.1 | 172.6 | 0 | 0 | 0 | 104.9 | ||||
| 430 | D | 51.4 | Low | 53.5 | Low | 153 Ų | 153 | 156.1 Ų | 156.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 128.5 | 178.7 | -66.7 | -38.3 | 0 | 0 | 0 | 109.6 | ||
| 431 | I | 49.3 | Very low | 52.2 | Low | 160 Ų | 160 | 156.5 Ų | 156.5 | 82% | 0.821 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 121.9 | 176.2 | -57.5 | 173.9 | 0 | 0 | 0 | 107.5 | ||
| 432 | Q | 50.8 | Low | 50.3 | Low | 179 Ų | 179 | 160.5 Ų | 160.5 | 84% | 0.836 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 126.1 | 171.3 | -70.6 | -178.9 | -3.7 | 0 | 0 | 109.8 | ||
| 433 | E | 40.1 | Very low | 48.3 | Very low | 181 Ų | 181 | 162.9 Ų | 162.9 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 120.2 | 173 | -88.7 | -177.1 | 153 | 0 | 0 | 110.7 | S435 | E433-S435 PolarHBondContact O-N 3.27Š|
| 434 | I | 44.1 | Very low | 46.4 | Very low | 167 Ų | 167 | 163.7 Ų | 163.7 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | -91.6 | 96.2 | 169.6 | -49.4 | 171.1 | 0 | 0 | 0 | 107.4 | G436 | I434-G436 PolarHBondContact O-N 2.91Š| ||
| 435 | S | 37.2 | Very low | 44.2 | Very low | 118 Ų | 118 | 160.4 Ų | 160.4 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | -72.9 | 88.3 | 173.3 | -60.5 | 0 | 0 | 0 | 0 | 110.5 | E433 | E433-S435 PolarHBondContact O-N 3.27Š| ||
| 436 | G | 36.4 | Very low | 42.2 | Very low | 60 Ų | 60 | 162.5 Ų | 162.5 | 62% | 0.619 | 83% | 0.831 | S | S | * | * | trans | -125.1 | 100.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I434 L438 | I434-G436 PolarHBondContact O-N 2.91Å; G436-L438 PolarHBondContact O-N 2.83Å | ||
| 437 | K | 36.9 | Very low | 40.6 | Very low | 217 Ų | 217 | 160 Ų | 160 | 94% | 0.943 | 83% | 0.825 | S | S | * | * | trans | -66.8 | 117.6 | 166.1 | -73.7 | 178.5 | 177.1 | 177.9 | 0 | 109 | ||||
| 438 | L | 32.6 | Very low | 39.4 | Very low | 177 Ų | 177 | 154 Ų | 154 | 93% | 0.927 | 82% | 0.817 | S | S | * | * | trans | -96.6 | 102.5 | 168.9 | -101.3 | 132.6 | 0 | 0 | 0 | 109.5 | G436 | G436-L438 PolarHBondContact O-N 2.83Š| ||
| 439 | A | 30.2 | Very low | 37.4 | Very low | 88 Ų | 88 | 150 Ų | 150 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -80.9 | 133.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 440 | L | 34.5 | Very low | 35.8 | Very low | 176 Ų | 176 | 150 Ų | 150 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -68.2 | 143.6 | 170.6 | -72.7 | 159.8 | 0 | 0 | 0 | 110.9 | ||||
| 441 | P | 38 | Very low | 34.7 | Very low | 124 Ų | 124 | 151.5 Ų | 151.5 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | trans | -125.5 | 156.9 | 139.6 | 22.1 | -3.5 | 0 | 0 | 0 | 113.1 | ||||
| 442 | R | 26.5 | Very low | 33.6 | Very low | 233 Ų | 233 | 153 Ų | 153 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -96.9 | 154.7 | -172.3 | -154 | -177.9 | -168.6 | 175.2 | 1.7 | 110.1 | ||||
| 443 | Q | 29.8 | Very low | 32.4 | Very low | 148 Ų | 148 | 151 Ų | 151 | 69% | 0.692 | 82% | 0.818 | S | S | * | * | trans | 87.8 | 116.4 | 158.8 | -88 | 173.1 | -70.5 | 0 | 0 | 121.3 | ||||
| 444 | E | 28.9 | Very low | 31.7 | Very low | 161 Ų | 161 | 150.3 Ų | 150.3 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | 112.8 | 119.9 | 126.2 | -81.2 | 169.6 | -156.9 | 0 | 0 | 120.8 | |||||
| 445 | A | 28.2 | Very low | 30.8 | Very low | 98 Ų | 98 | 146 Ų | 146 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | 66.6 | 118.3 | 146.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 446 | L | 28.4 | Very low | 30.2 | Very low | 167 Ų | 167 | 149.8 Ų | 149.8 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -69 | 154.2 | 160.4 | -72.6 | 163.3 | 0 | 0 | 0 | 110.9 | ||||
| 447 | P | 36.3 | Very low | 29.6 | Very low | 122 Ų | 122 | 152.5 Ų | 152.5 | 79% | 0.792 | 82% | 0.824 | S | S | * | * | -145.4 | 176 | 82.1 | 30 | -6.4 | 0 | 0 | 0 | 115.8 | |||||
| 448 | P | 39.2 | Very low | 29 | Very low | 113 Ų | 113 | 149.2 Ų | 149.2 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | trans | -105.8 | 157.8 | -154.5 | 39.1 | -31 | 0 | 0 | 0 | 114.5 | ||||
| 449 | L | 25.9 | Very low | 28.7 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -167.6 | 114.1 | 151.7 | -137.5 | 78.6 | 0 | 0 | 0 | 113.5 | ||||
| 450 | I | 26.6 | Very low | 29.1 | Very low | 149 Ų | 149 | 146.7 Ų | 146.7 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | trans | 31.7 | 116 | 133.4 | -49.3 | 170.4 | 0 | 0 | 0 | 118.6 | ||||
| 451 | Q | 29.7 | Very low | 28.7 | Very low | 186 Ų | 186 | 146.3 Ų | 146.3 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | -167.5 | 110.6 | 123.1 | -116.7 | 172.8 | -14.6 | 0 | 0 | 112.1 | |||||
| 452 | E | 25.7 | Very low | 28.2 | Very low | 190 Ų | 190 | 146 Ų | 146 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -78.5 | 134.3 | 158.3 | -66.2 | -176.1 | 150.7 | 0 | 0 | 109.1 | ||||
| 453 | V | 26.1 | Very low | 28.2 | Very low | 138 Ų | 138 | 139.6 Ų | 139.6 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -147.3 | 128.8 | 144 | -179.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 454 | D | 24.9 | Very low | 28 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -49.5 | 155.6 | 175.7 | -74 | -64.7 | 0 | 0 | 0 | 117.4 | ||||
| 455 | G | 25.1 | Very low | 28.4 | Very low | 77 Ų | 77 | 136.3 Ų | 136.3 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | 178.2 | 88 | 161.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 456 | K | 24.3 | Very low | 28.2 | Very low | 197 Ų | 197 | 137.9 Ų | 137.9 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | trans | -42.9 | 145.6 | 169.9 | -72.2 | 165.4 | 167.7 | 168.8 | 0 | 114.6 | ||||
| 457 | T | 23.6 | Very low | 28.3 | Very low | 117 Ų | 117 | 134 Ų | 134 | 72% | 0.718 | 80% | 0.801 | S | S | * | * | 166.6 | 133.4 | 100.4 | 44.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 458 | D | 24.5 | Very low | 27.9 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | 59.6 | 132.4 | 135.9 | -61.5 | -13 | 0 | 0 | 0 | 119.4 | ||||
| 459 | S | 25.9 | Very low | 27.4 | Very low | 104 Ų | 104 | 140.3 Ų | 140.3 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | cis | -174.2 | -154.6 | 23.5 | -82.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 460 | P | 38 | Very low | 27.5 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | -120.4 | -162 | -84.1 | 38.6 | -20.1 | 0 | 0 | 0 | 112.4 | |||||
| 461 | L | 26.6 | Very low | 27.5 | Very low | 168 Ų | 168 | 141.6 Ų | 141.6 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | trans | 96.2 | 131.3 | 175.3 | -51.9 | 157.7 | 0 | 0 | 0 | 112 | ||||
| 462 | S | 27.4 | Very low | 27.4 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | cis | -161.6 | 157.4 | 35.4 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 463 | S | 27.3 | Very low | 27.6 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | trans | -83.4 | 128.2 | -168.1 | 51.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 464 | S | 25.3 | Very low | 27.6 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | 57.7 | 163 | 134.9 | -61.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 465 | P | 36.5 | Very low | 27.7 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | cis | -128.2 | 142.6 | -20.5 | 29.9 | -10.9 | 0 | 0 | 0 | 112.9 | ||||
| 466 | S | 25.5 | Very low | 27.8 | Very low | 131 Ų | 131 | 138 Ų | 138 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | -95.6 | 133.4 | 171.2 | -153.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 467 | A | 28.9 | Very low | 27.9 | Very low | 86 Ų | 86 | 137.6 Ų | 137.6 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -83.4 | 132.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 468 | K | 28.3 | Very low | 28 | Very low | 192 Ų | 192 | 137.8 Ų | 137.8 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | 24.3 | 96.8 | 142.4 | -67.6 | 176.6 | 178.2 | 177.4 | 0 | 116.8 | I470 | K468-I470 PolarHBondContact O-N 3.48Š| ||
| 469 | I | 28.6 | Very low | 28.1 | Very low | 175 Ų | 175 | 138.6 Ų | 138.6 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -81.4 | 105.6 | 153.3 | -67.7 | 166.8 | 0 | 0 | 0 | 107 | ||||
| 470 | I | 28.3 | Very low | 28 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 72% | 0.723 | 80% | 0.798 | S | S | * | * | trans | -110.1 | 121.6 | 164.4 | -69.5 | 175.9 | 0 | 0 | 0 | 108.2 | K468 | K468-I470 PolarHBondContact O-N 3.48Š| ||
| 471 | K | 27 | Very low | 27.5 | Very low | 192 Ų | 192 | 141.9 Ų | 141.9 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | -52.5 | 125.3 | 166.6 | -159 | 174.3 | -169 | 173.8 | 0 | 111.3 | ||||
| 472 | M | 27.1 | Very low | 27.3 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 89% | 0.892 | 80% | 0.799 | S | S | * | * | trans | -165.5 | 109.5 | 158.3 | -104.9 | -173.3 | 68.1 | 0 | 0 | 110.7 | ||||
| 473 | E | 30.1 | Very low | 27.3 | Very low | 160 Ų | 160 | 148 Ų | 148 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -174.2 | 143.1 | 147.1 | -100.8 | -173.2 | -179.8 | 0 | 0 | 103.2 | K348 | K348-E473 IonicContact NZ-OE1 2.91Š| ||
| 474 | E | 26.7 | Very low | 27 | Very low | 157 Ų | 157 | 151 Ų | 151 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | cis | -169.8 | 148.9 | -7.3 | -169.8 | 166.7 | 162.8 | 0 | 0 | 104.1 | ||||
| 475 | A | 27.6 | Very low | 27 | Very low | 95 Ų | 95 | 157 Ų | 157 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -62.7 | 141.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 476 | A | 26.3 | Very low | 26.3 | Very low | 90 Ų | 90 | 156.9 Ų | 156.9 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | trans | -68.5 | 140.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 477 | E | 25.7 | Very low | 26.3 | Very low | 187 Ų | 187 | 156.1 Ų | 156.1 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | 175.5 | 129.6 | 146.9 | -101.7 | 168.3 | -157.2 | 0 | 0 | 104.6 | ||||
| 478 | T | 26.6 | Very low | 25.9 | Very low | 121 Ų | 121 | 156.1 Ų | 156.1 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | cis | -158 | 139.6 | 25.3 | -40.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 479 | Q | 25.8 | Very low | 25.8 | Very low | 167 Ų | 167 | 151.9 Ų | 151.9 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | trans | -71.7 | 127.1 | 160.7 | -68.6 | 177.3 | -7.8 | 0 | 0 | 108.4 | ||||
| 480 | T | 23.9 | Very low | 25.7 | Very low | 136 Ų | 136 | 154 Ų | 154 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -117.5 | 103.9 | 150.1 | -33.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 481 | Q | 27.7 | Very low | 25.4 | Very low | 145 Ų | 145 | 154 Ų | 154 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | -64.7 | 142.1 | 163.7 | -65.5 | 178.8 | -10 | 0 | 0 | 108.6 | ||||
| 482 | R | 23.9 | Very low | 25.2 | Very low | 247 Ų | 247 | 149 Ų | 149 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | -159.3 | 129.4 | 117.8 | -104.9 | 171.9 | -164.8 | -160.6 | 4.5 | 111.4 | |||||
| 483 | H | 25.8 | Very low | 25.2 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -60.7 | 139.8 | 161.1 | -78 | -102.9 | 0 | 0 | 0 | 110.1 | ||||
| 484 | D | 21.9 | Very low | 25 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | -150.8 | 114 | 128.4 | -95.7 | -32.2 | 0 | 0 | 0 | 108.7 | |||||
| 485 | R | 23.9 | Very low | 24.8 | Very low | 243 Ų | 243 | 145 Ų | 145 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | trans | -129.2 | 99.5 | 155.2 | -103.1 | -168.3 | 179.6 | -174.3 | 1.1 | 108.6 | ||||
| 486 | V | 23 | Very low | 24.7 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | trans | -48.6 | 134.6 | 139.3 | 173.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 487 | S | 24.3 | Very low | 24.7 | Very low | 115 Ų | 115 | 150.2 Ų | 150.2 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | 175.8 | 135.1 | 120.7 | -71.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 488 | A | 21.7 | Very low | 24.7 | Very low | 85 Ų | 85 | 149 Ų | 149 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | trans | -84 | 164.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 489 | S | 25.4 | Very low | 24.6 | Very low | 104 Ų | 104 | 151.5 Ų | 151.5 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 73.1 | 147.9 | 147.8 | 82.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 490 | R | 26.5 | Very low | 24.7 | Very low | 220 Ų | 220 | 149.4 Ų | 149.4 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | cis | -174 | 177.7 | 16.3 | -132.9 | 165.3 | -168.6 | -179.8 | 1 | 109.7 | ||||
| 491 | D | 22.8 | Very low | 24.7 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | trans | 96.5 | 101.2 | 160.1 | -56.7 | -22 | 0 | 0 | 0 | 116.8 | ||||
| 492 | A | 23.2 | Very low | 24.6 | Very low | 87 Ų | 87 | 151.9 Ų | 151.9 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | 68 | 117.8 | 74.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 493 | S | 25.4 | Very low | 24.7 | Very low | 103 Ų | 103 | 145 Ų | 145 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | -172 | 140.2 | 65.4 | -62.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 494 | Q | 26.1 | Very low | 24.9 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | 60.8 | 120.8 | 134.9 | -65.4 | 178.9 | -13 | 0 | 0 | 122.6 | ||||
| 495 | S | 24.2 | Very low | 25.2 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | -163.4 | 154.1 | 107.3 | 45.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 496 | V | 25.2 | Very low | 25.3 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -109.1 | 145.5 | -158.3 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 497 | Q | 26.6 | Very low | 26 | Very low | 171 Ų | 171 | 136.4 Ų | 136.4 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | trans | -173.9 | 108.7 | 138.1 | -100.6 | 170.1 | -3.8 | 0 | 0 | 107.5 | ||||
| 498 | E | 25 | Very low | 26.5 | Very low | 163 Ų | 163 | 135.8 Ų | 135.8 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | 63.5 | 134.4 | 98.4 | -80.2 | -178.7 | -176.3 | 0 | 0 | 112.9 | |||||
| 499 | E | 25.1 | Very low | 28 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | cis | -174.5 | 139.7 | -6.2 | -158.1 | 179.8 | -151.9 | 0 | 0 | 104.5 | ||||
| 500 | S | 26.2 | Very low | 29.7 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | 165 | 136.1 | 138.7 | 48.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 501 | T | 24.2 | Very low | 31.8 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -80.7 | 139.1 | -168.8 | 46.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 502 | E | 26.6 | Very low | 34.4 | Very low | 197 Ų | 197 | 124.7 Ų | 124.7 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | -158.2 | 123.8 | 129.4 | -136.2 | 167.2 | -173 | 0 | 0 | 110.5 | |||||
| 503 | A | 26.8 | Very low | 37.1 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | trans | -90.4 | 123.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 504 | A | 28.2 | Very low | 39.6 | Very low | 102 Ų | 102 | 123 Ų | 123 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | trans | -154.2 | 126.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 505 | E | 28.9 | Very low | 42.4 | Very low | 195 Ų | 195 | 114.9 Ų | 114.9 | 91% | 0.911 | 70% | 0.696 | S | S | * | * | trans | -24 | 140 | -179.4 | -68.1 | 166.7 | 149.5 | 0 | 0 | 120.3 | ||||
| 506 | A | 26.7 | Very low | 45.2 | Very low | 91 Ų | 91 | 113.6 Ų | 113.6 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | trans | -72 | 164.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 507 | P | 37.2 | Very low | 48.1 | Very low | 125 Ų | 125 | 109.9 Ų | 109.9 | 81% | 0.812 | 67% | 0.667 | S | S | * | * | -122.6 | 136.6 | 107.7 | 34.4 | -29.1 | 0 | 0 | 0 | 113 | |||||
| 508 | S | 35.8 | Very low | 50.9 | Low | 101 Ų | 101 | 103 Ų | 103 | 71% | 0.706 | 64% | 0.637 | S | S | * | * | trans | -16 | 122.6 | 175.1 | 51.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 509 | S | 52.2 | Low | 53.8 | Low | 116 Ų | 116 | 102.3 Ų | 102.3 | 81% | 0.811 | 63% | 0.632 | S | S | * | * | trans | -85.8 | 99 | 172.9 | 56.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 510 | D | 61.3 | Low | 56.8 | Low | 134 Ų | 134 | 97.1 Ų | 97.1 | 72% | 0.717 | 61% | 0.608 | S | S | * | * | trans | -94.2 | 9.8 | 174.7 | -83.6 | -26.9 | 0 | 0 | 0 | 114 | ||||
| 511 | V | 70.8 | Confident | 59.8 | Low | 40 Ų | 40 | 91.3 Ų | 91.3 | 24% | 0.242 | 57% | 0.567 | C | S | . | * | P | Polyproline II helix | trans | -93.5 | 127.2 | -173.8 | -172.8 | 0 | 0 | 0 | 0 | 110.7 | R537 Y538 | V511-R537 HydrophobicContact CG2-CB 4.11Å; V511-Y538 HydrophobicContact CG1-CD2 3.77Å; V511-Y538 HydrophobicContact CG1-CG 4.22Å |
| 512 | P | 77.1 | Confident | 62.8 | Low | 28 Ų | 28 | 86.4 Ų | 86.4 | 18% | 0.182 | 54% | 0.535 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 159.2 | 177.3 | 23.4 | -29.3 | 0 | 0 | 0 | 112.2 | D524 L528 Y538 Q541 | P512-D524 HydrophobicContact CG-CB 3.99Å; P512-L528 HydrophobicContact CG-CD1 4.02Å; P512-Y538 HydrophobicContact CB-CE2 4.19Å; P512-Y538 HydrophobicContact CG-CD2 3.89Å; P512-Y538 HydrophobicContact CG-CE2 3.66Å; P512-Y538 WeakPolarHBondContact O-CD2 3.44Å; P512-Y538 WeakPolarHBondContact O-CE2 3.43Å; P512-Q541 PolarHBondContact O-OE1 2.95Å |
| 513 | P | 79.9 | Confident | 65.7 | Low | 96 Ų | 96 | 78.7 Ų | 78.7 | 62% | 0.623 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 159.2 | -179.5 | 30.1 | -36.3 | 0 | 0 | 0 | 112.3 | Y538 | P513-Y538 WeakPolarHBondContact O-CE2 3.27Š|
| 514 | A | 78.6 | Confident | 68.6 | Low | 58 Ų | 58 | 74.5 Ų | 74.5 | 48% | 0.479 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 131.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 515 | P | 84.6 | Confident | 71.4 | Confident | 11 Ų | 11 | 69.7 Ų | 69.7 | 7% | 0.071 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 138.7 | -174 | 25.9 | -29.9 | 0 | 0 | 0 | 112 | Q520 L521 Y538 I542 I550 | P515-Q520 HydrophobicContact CB-CB 4.29Å; P515-Q520 HydrophobicContact CB-CG 4.28Å; P515-L521 HydrophobicContact CB-CB 3.89Å; P515-L521 HydrophobicContact CG-CB 4Å; P515-L521 HydrophobicContact CG-CD1 3.77Å; P515-L521 HydrophobicContact CG-CG 4.45Å; P515-Y538 WeakPolarHBondContact CB-OH 3.46Å; P515-Y538 HydrophobicContact CG-CE1 4.49Å; P515-Y538 WeakPolarHBondContact CG-OH 3.42Å; P515-I542 HydrophobicContact CG-CD1 3.7Å; P515-I542 HydrophobicContact CG-CG1 4.12Å; P515-I550 HydrophobicContact CG-CD1 4.33Å |
| 516 | S | 81.9 | Confident | 74.1 | Confident | 100 Ų | 100 | 68 Ų | 68 | 70% | 0.699 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -96.6 | -13.5 | 176.8 | 60.9 | 0 | 0 | 0 | 0 | 113.6 | Q520 | S516-Q520 VanDerWaalsContact N-OE1 3.08Å; S516-Q520 PolarHBondContact OG-OE1 3.34Å |
| 517 | S | 87.1 | Confident | 76.9 | Confident | 47 Ų | 47 | 71 Ų | 71 | 33% | 0.329 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -147.2 | 150.9 | -173.3 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | F519 Q520 L521 | S517-F519 PolarHBondContact O-N 3.38Å; S517-Q520 WeakPolarHBondContact O-CB 3.46Å; S517-Q520 PolarHBondContact O-N 2.83Å; S517-Q520 VanDerWaalsContact O-N 3.1Å; S517-L521 PolarHBondContact O-N 3.5Å; S517-L521 VanDerWaalsContact O-N 3.14Å |
| 518 | S | 84.9 | Confident | 79.1 | Confident | 26 Ų | 26 | 66 Ų | 66 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -55.3 | -38.3 | 178.7 | 59.5 | 0 | 0 | 0 | 0 | 112.7 | Q520 L521 E522 I550 | S518-Q520 VanDerWaalsContact C-N 3.35Å; S518-Q520 PolarHBondContact O-N 3.44Å; S518-L521 PolarHBondContact O-N 3.38Å; S518-E522 WeakPolarHBondContact O-CB 3.27Å; S518-E522 PolarHBondContact O-N 2.98Å; S518-I550 WeakPolarHBondContact CB-O 3.32Å; S518-I550 PolarHBondContact N-O 3.3Å |
| 519 | F | 85.9 | Confident | 80.9 | Confident | 148 Ų | 148 | 64.4 Ų | 64.4 | 65% | 0.649 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.7 | -34.8 | 179.6 | -64.1 | -74.3 | 0 | 0 | 0 | 112.8 | S517 A523 | S517-F519 PolarHBondContact O-N 3.38Å; F519-A523 WeakPolarHBondContact O-CB 3.44Å; F519-A523 PolarHBondContact O-N 3.07Å |
| 520 | Q | 87.9 | Confident | 82.2 | Confident | 64 Ų | 64 | 68 Ų | 68 | 30% | 0.299 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.8 | -46.2 | 176.8 | -173.3 | 179.1 | 5.6 | 0 | 0 | 110.1 | P515 S516 S517 S518 E522 A523 D524 | P515-Q520 HydrophobicContact CB-CB 4.29Å; P515-Q520 HydrophobicContact CB-CG 4.28Å; S516-Q520 VanDerWaalsContact N-OE1 3.08Å; S516-Q520 PolarHBondContact OG-OE1 3.34Å; S517-Q520 WeakPolarHBondContact O-CB 3.46Å; S517-Q520 PolarHBondContact O-N 2.83Å; S517-Q520 VanDerWaalsContact O-N 3.1Å; S518-Q520 VanDerWaalsContact C-N 3.35Å; S518-Q520 PolarHBondContact O-N 3.44Å; Q520-E522 VanDerWaalsContact C-N 3.31Å; Q520-E522 PolarHBondContact O-N 3.14Å; Q520-A523 PolarHBondContact O-N 3.36Å; Q520-D524 WeakPolarHBondContact O-CB 3.37Å; Q520-D524 PolarHBondContact O-N 3.17Å |
| 521 | L | 88.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.5 | -46.3 | 174.9 | 176 | 70.1 | 0 | 0 | 0 | 111.1 | P515 S517 S518 D524 L525 Y538 L539 I542 I550 F551 L559 | P515-L521 HydrophobicContact CB-CB 3.89Å; P515-L521 HydrophobicContact CG-CB 4Å; P515-L521 HydrophobicContact CG-CD1 3.77Å; P515-L521 HydrophobicContact CG-CG 4.45Å; S517-L521 PolarHBondContact O-N 3.5Å; S517-L521 VanDerWaalsContact O-N 3.14Å; S518-L521 PolarHBondContact O-N 3.38Å; L521-D524 PolarHBondContact O-N 3.32Å; L521-L525 HydrophobicContact CD1-CD1 3.75Å; L521-L525 HydrophobicContact CD1-CG 4.22Å; L521-L525 HydrophobicContact CG-CD1 3.82Å; L521-L525 WeakPolarHBondContact O-CB 3.47Å; L521-L525 VanDerWaalsContact O-CG 3.23Å; L521-L525 WeakPolarHBondContact O-CG 3.33Å; L521-L525 PolarHBondContact O-N 3.25Å; L521-Y538 HydrophobicContact CD1-CE1 3.82Å; L521-L539 HydrophobicContact CD1-CD2 4.2Å; L521-I542 HydrophobicContact CD1-CD1 3.57Å; L521-I550 HydrophobicContact CB-CG2 4.41Å; L521-I550 HydrophobicContact CD2-CG2 4.05Å; L521-F551 HydrophobicContact CD2-CE1 3.72Å; L521-F551 HydrophobicContact CD2-CE2 4.23Å; L521-F551 HydrophobicContact CD2-CZ 3.33Å; L521-L559 HydrophobicContact CD2-CD2 4.32Å |
| 522 | E | 88.6 | Confident | 83.9 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 16% | 0.159 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.3 | -45.2 | -179.3 | -161.4 | -151.6 | 145.4 | 0 | 0 | 112.3 | S518 Q520 D524 L525 R526 | S518-E522 WeakPolarHBondContact O-CB 3.27Å; S518-E522 PolarHBondContact O-N 2.98Å; Q520-E522 VanDerWaalsContact C-N 3.31Å; Q520-E522 PolarHBondContact O-N 3.14Å; E522-D524 VanDerWaalsContact C-N 3.34Å; E522-D524 PolarHBondContact O-N 3.29Å; E522-L525 PolarHBondContact O-N 3.09Å; E522-R526 WeakPolarHBondContact O-CB 3.41Å; E522-R526 WeakPolarHBondContact O-CG 3.22Å; E522-R526 PolarHBondContact O-N 3.26Å; E522-R526 IonicContact OE1-CZ 2.83Å; E522-R526 IonicContact OE1-NE 3.57Å; E522-R526 PolarHBondContact OE1-NE 3.42Å; E522-R526 IonicContact OE1-NH2 3.91Å; E522-R526 PolarHBondContact OE1-NH2 2.98Å; E522-R526 IonicContact OE2-NH2 3.86Å; E522-R526 PolarHBondContact OE2-NH2 3.31Å |
| 523 | A | 87.1 | Confident | 84.3 | Confident | 35 Ų | 35 | 72.8 Ų | 72.8 | 29% | 0.289 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63 | -41 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F519 Q520 R526 K527 | F519-A523 WeakPolarHBondContact O-CB 3.44Å; F519-A523 PolarHBondContact O-N 3.07Å; Q520-A523 PolarHBondContact O-N 3.36Å; A523-R526 PolarHBondContact O-N 3.43Å; A523-K527 WeakPolarHBondContact O-CG 3.45Å; A523-K527 PolarHBondContact O-N 2.89Å; A523-K527 VanDerWaalsContact O-N 3.15Å |
| 524 | D | 87.9 | Confident | 84.5 | Confident | 13 Ų | 13 | 68.6 Ų | 68.6 | 7% | 0.07 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -72.3 | -38.9 | 179.7 | -70.3 | -18 | 0 | 0 | 0 | 111.3 | P512 Q520 L521 E522 R526 K527 L528 Y538 | P512-D524 HydrophobicContact CG-CB 3.99Å; Q520-D524 WeakPolarHBondContact O-CB 3.37Å; Q520-D524 PolarHBondContact O-N 3.17Å; L521-D524 PolarHBondContact O-N 3.32Å; E522-D524 VanDerWaalsContact C-N 3.34Å; E522-D524 PolarHBondContact O-N 3.29Å; D524-R526 PolarHBondContact O-N 3.03Å; D524-K527 PolarHBondContact O-N 3.5Å; D524-K527 IonicContact OD1-NZ 2.82Å; D524-K527 PolarHBondContact OD1-NZ 3.29Å; D524-L528 WeakPolarHBondContact O-CB 3.45Å; D524-L528 VanDerWaalsContact O-CG 3.28Å; D524-L528 WeakPolarHBondContact O-CG 3.47Å; D524-L528 PolarHBondContact O-N 3.01Å; D524-Y538 HydrophobicContact CB-CE1 3.8Å; D524-Y538 WeakPolarHBondContact CB-OH 3.4Å; D524-Y538 PolarHBondContact OD2-OH 3.07Å |
| 525 | L | 86.1 | Confident | 85 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67 | -33.3 | 173 | -72.6 | 172.6 | 0 | 0 | 0 | 113 | L521 E522 L528 S529 V535 Y538 L539 L559 | L521-L525 HydrophobicContact CD1-CD1 3.75Å; L521-L525 HydrophobicContact CD1-CG 4.22Å; L521-L525 HydrophobicContact CG-CD1 3.82Å; L521-L525 WeakPolarHBondContact O-CB 3.47Å; L521-L525 VanDerWaalsContact O-CG 3.23Å; L521-L525 WeakPolarHBondContact O-CG 3.33Å; L521-L525 PolarHBondContact O-N 3.25Å; E522-L525 PolarHBondContact O-N 3.09Å; L525-L528 PolarHBondContact O-N 3.49Å; L525-S529 WeakPolarHBondContact O-CA 3.48Å; L525-S529 WeakPolarHBondContact O-CB 3.48Å; L525-S529 PolarHBondContact O-N 3.38Å; L525-V535 HydrophobicContact CD2-CB 4.4Å; L525-V535 HydrophobicContact CD2-CG1 3.58Å; L525-V535 HydrophobicContact CD2-CG2 4.21Å; L525-Y538 HydrophobicContact CD2-CD1 4.05Å; L525-Y538 HydrophobicContact CG-CD1 4.4Å; L525-Y538 HydrophobicContact CG-CE1 4.38Å; L525-L539 HydrophobicContact CD1-CD2 4.42Å; L525-L539 HydrophobicContact CD2-CD2 4.39Å; L525-L539 HydrophobicContact CD2-CG 4.48Å; L525-L559 HydrophobicContact CD1-CD1 3.32Å |
| 526 | R | 86.1 | Confident | 85.1 | Confident | 159 Ų | 159 | 66.6 Ų | 66.6 | 60% | 0.6 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64 | -41.5 | 171.8 | -80.2 | -165 | -105.1 | 139.9 | -6.9 | 111.6 | E522 A523 D524 S529 | E522-R526 WeakPolarHBondContact O-CB 3.41Å; E522-R526 WeakPolarHBondContact O-CG 3.22Å; E522-R526 PolarHBondContact O-N 3.26Å; E522-R526 IonicContact OE1-CZ 2.83Å; E522-R526 IonicContact OE1-NE 3.57Å; E522-R526 PolarHBondContact OE1-NE 3.42Å; E522-R526 IonicContact OE1-NH2 3.91Å; E522-R526 PolarHBondContact OE1-NH2 2.98Å; E522-R526 IonicContact OE2-NH2 3.86Å; E522-R526 PolarHBondContact OE2-NH2 3.31Å; A523-R526 PolarHBondContact O-N 3.43Å; D524-R526 PolarHBondContact O-N 3.03Å; R526-S529 WeakPolarHBondContact O-CB 3.44Å; R526-S529 PolarHBondContact O-OG 3.23Å |
| 527 | K | 86 | Confident | 85.4 | Confident | 154 Ų | 154 | 68.2 Ų | 68.2 | 67% | 0.67 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.9 | -42.3 | 175.3 | -68.1 | 168.3 | -167.4 | 161.8 | 0 | 112.2 | A523 D524 | A523-K527 WeakPolarHBondContact O-CG 3.45Å; A523-K527 PolarHBondContact O-N 2.89Å; A523-K527 VanDerWaalsContact O-N 3.15Å; D524-K527 PolarHBondContact O-N 3.5Å; D524-K527 IonicContact OD1-NZ 2.82Å; D524-K527 PolarHBondContact OD1-NZ 3.29Å |
| 528 | L | 83.4 | Confident | 85.4 | Confident | 21 Ų | 21 | 66 Ų | 66 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -85.7 | -6 | -176.4 | -63.6 | 173.5 | 0 | 0 | 0 | 113.8 | P512 D524 L525 K530 Q531 A534 V535 Y538 | P512-L528 HydrophobicContact CG-CD1 4.02Å; D524-L528 WeakPolarHBondContact O-CB 3.45Å; D524-L528 VanDerWaalsContact O-CG 3.28Å; D524-L528 WeakPolarHBondContact O-CG 3.47Å; D524-L528 PolarHBondContact O-N 3.01Å; L525-L528 PolarHBondContact O-N 3.49Å; L528-K530 PolarHBondContact O-N 3.32Å; L528-Q531 PolarHBondContact O-N 3.2Å; L528-A534 HydrophobicContact CD2-CB 4.1Å; L528-V535 HydrophobicContact CB-CG2 3.86Å; L528-V535 WeakPolarHBondContact O-CG2 3.49Å; L528-Y538 HydrophobicContact CD1-CD1 4.24Å; L528-Y538 HydrophobicContact CD1-CG 4.13Å |
| 529 | S | 73.4 | Confident | 85.5 | Confident | 68 Ų | 68 | 64.9 Ų | 64.9 | 48% | 0.476 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -26.6 | -174.9 | 59.3 | 0 | 0 | 0 | 0 | 114.9 | L525 R526 | L525-S529 WeakPolarHBondContact O-CA 3.48Å; L525-S529 WeakPolarHBondContact O-CB 3.48Å; L525-S529 PolarHBondContact O-N 3.38Å; R526-S529 WeakPolarHBondContact O-CB 3.44Å; R526-S529 PolarHBondContact O-OG 3.23Å |
| 530 | K | 79.9 | Confident | 85.7 | Confident | 190 Ų | 190 | 65 Ų | 65 | 83% | 0.826 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -15.5 | 177.6 | -64 | -177.2 | 179.9 | 179.2 | 0 | 114.2 | L528 | L528-K530 PolarHBondContact O-N 3.32Š|
| 531 | Q | 84.9 | Confident | 85.6 | Confident | 115 Ų | 115 | 66.1 Ų | 66.1 | 54% | 0.537 | 31% | 0.307 | S | S | . | . | trans | -123.1 | 95 | -174.9 | -68.1 | -176.2 | -2.4 | 0 | 0 | 110.9 | L528 E533 A534 V535 | L528-Q531 PolarHBondContact O-N 3.2Å; Q531-E533 VanDerWaalsContact C-N 3.31Å; Q531-E533 PolarHBondContact O-N 3.47Å; Q531-A534 HydrophobicContact CB-CB 3.79Å; Q531-A534 PolarHBondContact O-N 3.15Å; Q531-A534 VanDerWaalsContact O-N 3.14Å; Q531-V535 PolarHBondContact O-N 3.35Å; Q531-V535 VanDerWaalsContact O-N 3.16Å | ||
| 532 | P | 82.6 | Confident | 85.5 | Confident | 76 Ų | 76 | 66.8 Ų | 66.8 | 49% | 0.494 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65 | -32.6 | -173.4 | 26.1 | -34.5 | 0 | 0 | 0 | 113.2 | V535 Y536 F570 | P532-V535 PolarHBondContact O-N 3.35Å; P532-Y536 PolarHBondContact O-N 3.02Å; P532-F570 HydrophobicContact CB-CE2 3.82Å; P532-F570 HydrophobicContact CB-CZ 3.87Å; P532-F570 HydrophobicContact CG-CZ 4.37Å |
| 533 | E | 84.2 | Confident | 85.3 | Confident | 112 Ų | 112 | 68 Ų | 68 | 52% | 0.523 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69 | -33.5 | 175.5 | -64.8 | -179.9 | -169.9 | 0 | 0 | 113.1 | Q531 Y536 R537 F570 | Q531-E533 VanDerWaalsContact C-N 3.31Å; Q531-E533 PolarHBondContact O-N 3.47Å; E533-Y536 PolarHBondContact O-N 2.86Å; E533-R537 WeakPolarHBondContact O-CG 3.49Å; E533-R537 PolarHBondContact O-N 3.48Å; E533-R537 IonicContact OE2-NH1 3.37Å; E533-F570 HydrophobicContact CG-CE1 3.98Å; E533-F570 HydrophobicContact CG-CZ 4.25Å |
| 534 | A | 85.6 | Confident | 85.1 | Confident | 8 Ų | 8 | 67.8 Ų | 67.8 | 7% | 0.066 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -71.7 | -38.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | L528 Q531 R537 Y538 | L528-A534 HydrophobicContact CD2-CB 4.1Å; Q531-A534 HydrophobicContact CB-CB 3.79Å; Q531-A534 PolarHBondContact O-N 3.15Å; Q531-A534 VanDerWaalsContact O-N 3.14Å; A534-R537 PolarHBondContact O-N 3.2Å; A534-Y538 WeakPolarHBondContact O-CB 3.48Å; A534-Y538 PolarHBondContact O-N 3.13Å |
| 535 | V | 87.3 | Confident | 84.9 | Confident | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 172.3 | 175 | 0 | 0 | 0 | 0 | 111.1 | L525 L528 Q531 P532 Y538 L539 T566 | L525-V535 HydrophobicContact CD2-CB 4.4Å; L525-V535 HydrophobicContact CD2-CG1 3.58Å; L525-V535 HydrophobicContact CD2-CG2 4.21Å; L528-V535 HydrophobicContact CB-CG2 3.86Å; L528-V535 WeakPolarHBondContact O-CG2 3.49Å; Q531-V535 PolarHBondContact O-N 3.35Å; Q531-V535 VanDerWaalsContact O-N 3.16Å; P532-V535 PolarHBondContact O-N 3.35Å; V535-Y538 PolarHBondContact O-N 3.02Å; V535-L539 HydrophobicContact CG1-CD1 3.82Å; V535-L539 HydrophobicContact CG1-CG 4.23Å; V535-L539 WeakPolarHBondContact O-CB 3.26Å; V535-L539 WeakPolarHBondContact O-CG 3.39Å; V535-L539 PolarHBondContact O-N 3.01Å; V535-T566 HydrophobicContact CB-CG2 4.37Å; V535-T566 HydrophobicContact CG1-CG2 3.55Å |
| 536 | Y | 88.7 | Confident | 84.8 | Confident | 26 Ų | 26 | 71.5 Ų | 71.5 | 10% | 0.102 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.1 | -50.3 | 174.2 | 166.3 | -109.4 | 0 | 0 | 0 | 112 | P532 E533 Y538 L539 R540 F570 F571 N574 | P532-Y536 PolarHBondContact O-N 3.02Å; E533-Y536 PolarHBondContact O-N 2.86Å; Y536-Y538 PolarHBondContact O-N 3.4Å; Y536-L539 PolarHBondContact O-N 3.19Å; Y536-R540 VanDerWaalsContact O-CB 3.32Å; Y536-R540 WeakPolarHBondContact O-CB 3.35Å; Y536-R540 PolarHBondContact O-N 3.04Å; Y536-F570 HydrophobicContact CD1-CB 4.39Å; Y536-F570 HydrophobicContact CD2-CB 3.34Å; Y536-F570 HydrophobicContact CD2-CG 4.16Å; Y536-F570 HydrophobicContact CE2-CB 3.87Å; Y536-F570 HydrophobicContact CG-CB 3.64Å; Y536-F570 HydrophobicContact CG-CD1 4.28Å; Y536-F570 AromaticContact CG-CG 3.96Å; Y536-F570 HydrophobicContact CG-CG 3.96Å; Y536-F571 AromaticContact CD2-CD2 3.7Å; Y536-F571 HydrophobicContact CD2-CD2 3.7Å; Y536-F571 AromaticContact CD2-CE2 3.48Å; Y536-F571 HydrophobicContact CD2-CE2 3.48Å; Y536-F571 VanDerWaalsContact CD2-CE2 3.48Å; Y536-F571 HydrophobicContact CD2-CZ 4.32Å; Y536-F571 AromaticContact CE2-CD2 3.69Å; Y536-F571 HydrophobicContact CE2-CD2 3.69Å; Y536-F571 AromaticContact CE2-CE2 3.62Å; Y536-F571 HydrophobicContact CE2-CE2 3.62Å; Y536-F571 HydrophobicContact CE2-CG 4.28Å; Y536-F571 HydrophobicContact CE2-CZ 4.15Å; Y536-N574 VanDerWaalsContact OH-CB 3.24Å; Y536-N574 WeakPolarHBondContact OH-CB 3.45Å |
| 537 | R | 86.6 | Confident | 84.9 | Confident | 133 Ų | 133 | 64.2 Ų | 64.2 | 50% | 0.502 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.4 | -35.4 | 178.2 | -71.4 | -173.2 | -172.2 | 95.6 | 1.3 | 112.5 | V511 E533 A534 Q541 | V511-R537 HydrophobicContact CG2-CB 4.11Å; E533-R537 WeakPolarHBondContact O-CG 3.49Å; E533-R537 PolarHBondContact O-N 3.48Å; E533-R537 IonicContact OE2-NH1 3.37Å; A534-R537 PolarHBondContact O-N 3.2Å; R537-Q541 WeakPolarHBondContact O-CG 3.48Å |
| 538 | Y | 88.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72 | -48.8 | 178.2 | -175.2 | -123.3 | 0 | 0 | 0 | 112.4 | V511 P512 P513 P515 L521 D524 L525 L528 A534 V535 Y536 R540 Q541 | V511-Y538 HydrophobicContact CG1-CD2 3.77Å; V511-Y538 HydrophobicContact CG1-CG 4.22Å; P512-Y538 HydrophobicContact CB-CE2 4.19Å; P512-Y538 HydrophobicContact CG-CD2 3.89Å; P512-Y538 HydrophobicContact CG-CE2 3.66Å; P512-Y538 WeakPolarHBondContact O-CD2 3.44Å; P512-Y538 WeakPolarHBondContact O-CE2 3.43Å; P513-Y538 WeakPolarHBondContact O-CE2 3.27Å; P515-Y538 WeakPolarHBondContact CB-OH 3.46Å; P515-Y538 HydrophobicContact CG-CE1 4.49Å; P515-Y538 WeakPolarHBondContact CG-OH 3.42Å; L521-Y538 HydrophobicContact CD1-CE1 3.82Å; D524-Y538 HydrophobicContact CB-CE1 3.8Å; D524-Y538 WeakPolarHBondContact CB-OH 3.4Å; D524-Y538 PolarHBondContact OD2-OH 3.07Å; L525-Y538 HydrophobicContact CD2-CD1 4.05Å; L525-Y538 HydrophobicContact CG-CD1 4.4Å; L525-Y538 HydrophobicContact CG-CE1 4.38Å; L528-Y538 HydrophobicContact CD1-CD1 4.24Å; L528-Y538 HydrophobicContact CD1-CG 4.13Å; A534-Y538 WeakPolarHBondContact O-CB 3.48Å; A534-Y538 PolarHBondContact O-N 3.13Å; V535-Y538 PolarHBondContact O-N 3.02Å; Y536-Y538 PolarHBondContact O-N 3.4Å; Y538-R540 PolarHBondContact O-N 3.42Å; Y538-Q541 WeakPolarHBondContact O-CB 3.43Å; Y538-Q541 PolarHBondContact O-N 3.23Å |
| 539 | L | 87.1 | Confident | 84.8 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.1 | -30.6 | 177.7 | -69 | 176.1 | 0 | 0 | 0 | 112.2 | L521 L525 V535 Y536 Q541 I542 I563 T566 | L521-L539 HydrophobicContact CD1-CD2 4.2Å; L525-L539 HydrophobicContact CD1-CD2 4.42Å; L525-L539 HydrophobicContact CD2-CD2 4.39Å; L525-L539 HydrophobicContact CD2-CG 4.48Å; V535-L539 HydrophobicContact CG1-CD1 3.82Å; V535-L539 HydrophobicContact CG1-CG 4.23Å; V535-L539 WeakPolarHBondContact O-CB 3.26Å; V535-L539 WeakPolarHBondContact O-CG 3.39Å; V535-L539 PolarHBondContact O-N 3.01Å; Y536-L539 PolarHBondContact O-N 3.19Å; L539-Q541 PolarHBondContact O-N 3.29Å; L539-I542 HydrophobicContact CD2-CD1 4.01Å; L539-I542 WeakPolarHBondContact O-CB 3.37Å; L539-I542 PolarHBondContact O-N 3.37Å; L539-I542 VanDerWaalsContact O-N 3.08Å; L539-I563 HydrophobicContact CD1-CG1 4.38Å; L539-I563 HydrophobicContact CD2-CG1 4.36Å; L539-T566 HydrophobicContact CD1-CG2 4.29Å; L539-T566 WeakPolarHBondContact CD1-OG1 3.37Å |
| 540 | R | 88.1 | Confident | 85.4 | Confident | 151 Ų | 151 | 62.4 Ų | 62.4 | 57% | 0.57 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -24.7 | 173.4 | -169.3 | 180 | -172.8 | -142.2 | 0.5 | 113.6 | Y536 Y538 I542 E575 | Y536-R540 VanDerWaalsContact O-CB 3.32Å; Y536-R540 WeakPolarHBondContact O-CB 3.35Å; Y536-R540 PolarHBondContact O-N 3.04Å; Y538-R540 PolarHBondContact O-N 3.42Å; R540-I542 PolarHBondContact O-N 2.91Å; R540-E575 IonicContact CZ-OE1 3.04Å; R540-E575 VanDerWaalsContact CZ-OE1 3.31Å; R540-E575 IonicContact NE-OE1 2.81Å; R540-E575 PolarHBondContact NE-OE1 3.24Å; R540-E575 IonicContact NH2-OE1 3.3Å; R540-E575 PolarHBondContact NH2-OE1 3.18Å |
| 541 | Q | 87.6 | Confident | 85.7 | Confident | 88 Ų | 88 | 53.5 Ų | 53.5 | 41% | 0.411 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -16.6 | 175.7 | -62 | 177 | 11.2 | 0 | 0 | 112.5 | P512 R537 Y538 L539 | P512-Q541 PolarHBondContact O-OE1 2.95Å; R537-Q541 WeakPolarHBondContact O-CG 3.48Å; Y538-Q541 WeakPolarHBondContact O-CB 3.43Å; Y538-Q541 PolarHBondContact O-N 3.23Å; L539-Q541 PolarHBondContact O-N 3.29Å |
| 542 | I | 86.3 | Confident | 85.6 | Confident | 13 Ų | 13 | 54 Ų | 54 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -89.8 | 121.4 | -176.6 | -53 | 177.1 | 0 | 0 | 0 | 108.4 | P515 L521 L539 R540 A546 Y547 I550 | P515-I542 HydrophobicContact CG-CD1 3.7Å; P515-I542 HydrophobicContact CG-CG1 4.12Å; L521-I542 HydrophobicContact CD1-CD1 3.57Å; L539-I542 HydrophobicContact CD2-CD1 4.01Å; L539-I542 WeakPolarHBondContact O-CB 3.37Å; L539-I542 PolarHBondContact O-N 3.37Å; L539-I542 VanDerWaalsContact O-N 3.08Å; R540-I542 PolarHBondContact O-N 2.91Å; I542-A546 HydrophobicContact CG2-CB 3.96Å; I542-Y547 HydrophobicContact CB-CE2 4.26Å; I542-Y547 HydrophobicContact CD1-CE1 4.29Å; I542-Y547 HydrophobicContact CG2-CD1 4.3Å; I542-Y547 HydrophobicContact CG2-CD2 4.09Å; I542-Y547 HydrophobicContact CG2-CE1 4.07Å; I542-Y547 HydrophobicContact CG2-CE2 3.81Å; I542-Y547 HydrophobicContact CG2-CG 4.34Å; I542-I550 HydrophobicContact CG2-CD1 3.77Å |
| 543 | S | 82.8 | Confident | 85.3 | Confident | 60 Ų | 60 | 54.1 Ų | 54.1 | 42% | 0.42 | 27% | 0.271 | S | S | . | . | trans | -70.4 | 145.8 | 173 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | S545 A546 | S543-S545 VanDerWaalsContact C-N 3.25Å; S543-S545 PolarHBondContact O-N 3.46Å; S543-S545 VanDerWaalsContact O-N 3.15Å; S543-A546 VanDerWaalsContact O-CB 3.28Å; S543-A546 WeakPolarHBondContact O-CB 3.38Å; S543-A546 PolarHBondContact O-N 3.35Å; S543-A546 WeakPolarHBondContact OG-CB 3.32Å | ||
| 544 | P | 83.9 | Confident | 85.1 | Confident | 30 Ų | 30 | 51.2 Ų | 51.2 | 20% | 0.195 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -51.5 | -41.6 | -179 | -30.2 | 36 | 0 | 0 | 0 | 113.8 | A546 Y547 E582 C586 | P544-A546 VanDerWaalsContact C-N 3.27Å; P544-A546 PolarHBondContact O-N 2.81Å; P544-Y547 PolarHBondContact O-N 3.35Å; P544-E582 HydrophobicContact CB-CB 3.84Å; P544-E582 HydrophobicContact CG-CB 4.24Å; P544-C586 VanDerWaalsContact O-CB 3.22Å; P544-C586 WeakPolarHBondContact O-CB 3.46Å; P544-C586 PolarHBondContact O-SG 3.26Å |
| 545 | S | 82.9 | Confident | 85.1 | Confident | 73 Ų | 73 | 51.2 Ų | 51.2 | 51% | 0.51 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.3 | -29.7 | 177.3 | 50.9 | 0 | 0 | 0 | 0 | 113.9 | S543 Y547 S548 | S543-S545 VanDerWaalsContact C-N 3.25Å; S543-S545 PolarHBondContact O-N 3.46Å; S543-S545 VanDerWaalsContact O-N 3.15Å; S545-Y547 VanDerWaalsContact C-N 3.28Å; S545-Y547 PolarHBondContact O-N 2.76Å; S545-S548 PolarHBondContact O-N 2.62Å; S545-S548 PolarHBondContact O-OG 2.81Å |
| 546 | A | 85.7 | Confident | 85.2 | Confident | 19 Ų | 19 | 55.1 Ų | 55.1 | 16% | 0.157 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.3 | -26.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I542 S543 P544 S548 Q549 I550 | I542-A546 HydrophobicContact CG2-CB 3.96Å; S543-A546 VanDerWaalsContact O-CB 3.28Å; S543-A546 WeakPolarHBondContact O-CB 3.38Å; S543-A546 PolarHBondContact O-N 3.35Å; S543-A546 WeakPolarHBondContact OG-CB 3.32Å; P544-A546 VanDerWaalsContact C-N 3.27Å; P544-A546 PolarHBondContact O-N 2.81Å; A546-S548 PolarHBondContact O-N 3.41Å; A546-Q549 CarbonylContact O-C 3.59Å; A546-Q549 PolarHBondContact O-N 3.01Å; A546-I550 HydrophobicContact CB-CD1 4.06Å; A546-I550 WeakPolarHBondContact O-CB 3.45Å; A546-I550 VanDerWaalsContact O-CG1 3.22Å; A546-I550 WeakPolarHBondContact O-CG1 3.16Å; A546-I550 PolarHBondContact O-N 3.41Å |
| 547 | Y | 86.5 | Confident | 85.1 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 2% | 0.024 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.9 | -37.8 | 177.4 | -76.2 | -71.2 | 0 | 0 | 0 | 112.8 | I542 P544 S545 Q549 F551 I563 T583 L587 | I542-Y547 HydrophobicContact CB-CE2 4.26Å; I542-Y547 HydrophobicContact CD1-CE1 4.29Å; I542-Y547 HydrophobicContact CG2-CD1 4.3Å; I542-Y547 HydrophobicContact CG2-CD2 4.09Å; I542-Y547 HydrophobicContact CG2-CE1 4.07Å; I542-Y547 HydrophobicContact CG2-CE2 3.81Å; I542-Y547 HydrophobicContact CG2-CG 4.34Å; P544-Y547 PolarHBondContact O-N 3.35Å; S545-Y547 VanDerWaalsContact C-N 3.28Å; S545-Y547 PolarHBondContact O-N 2.76Å; Y547-Q549 VanDerWaalsContact C-N 3.33Å; Y547-Q549 PolarHBondContact O-N 3.04Å; Y547-F551 HydrophobicContact CD1-CD2 4.34Å; Y547-F551 AromaticContact CD1-CE2 3.7Å; Y547-F551 HydrophobicContact CD1-CE2 3.7Å; Y547-F551 HydrophobicContact CE1-CE2 4.43Å; Y547-F551 VanDerWaalsContact O-CD2 3.23Å; Y547-F551 WeakPolarHBondContact O-CD2 3.3Å; Y547-F551 PolarHBondContact O-N 2.65Å; Y547-F551 VanDerWaalsContact O-N 3.17Å; Y547-I563 HydrophobicContact CE1-CD1 4.29Å; Y547-T583 HydrophobicContact CD2-CG2 3.9Å; Y547-T583 HydrophobicContact CE2-CG2 3.59Å; Y547-L587 HydrophobicContact CD1-CD2 4.18Å; Y547-L587 HydrophobicContact CG-CD2 4.4Å |
| 548 | S | 82.9 | Confident | 85.1 | Confident | 55 Ų | 55 | 56 Ų | 56 | 39% | 0.385 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.7 | -36.2 | 176.6 | 69.9 | 0 | 0 | 0 | 0 | 112.4 | S545 A546 Q552 | S545-S548 PolarHBondContact O-N 2.62Å; S545-S548 PolarHBondContact O-OG 2.81Å; A546-S548 PolarHBondContact O-N 3.41Å; S548-Q552 PolarHBondContact O-N 2.99Å; S548-Q552 VanDerWaalsContact O-N 3.17Å |
| 549 | Q | 85.6 | Confident | 85.1 | Confident | 139 Ų | 139 | 56.6 Ų | 56.6 | 65% | 0.65 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -78.5 | -32 | 179.3 | -64.1 | -174.9 | -9.3 | 0 | 0 | 113.3 | A546 Y547 Q552 | A546-Q549 CarbonylContact O-C 3.59Å; A546-Q549 PolarHBondContact O-N 3.01Å; Y547-Q549 VanDerWaalsContact C-N 3.33Å; Y547-Q549 PolarHBondContact O-N 3.04Å; Q549-Q552 WeakPolarHBondContact O-CG 3.3Å; Q549-Q552 PolarHBondContact O-NE2 3.35Å; Q549-Q552 VanDerWaalsContact O-NE2 3.12Å |
| 550 | I | 86.4 | Confident | 85.3 | Confident | 11 Ų | 11 | 56.5 Ų | 56.5 | 6% | 0.056 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -72.4 | -45.1 | 179.4 | -70.2 | 164.8 | 0 | 0 | 0 | 109.9 | P515 S518 L521 I542 A546 | P515-I550 HydrophobicContact CG-CD1 4.33Å; S518-I550 WeakPolarHBondContact CB-O 3.32Å; S518-I550 PolarHBondContact N-O 3.3Å; L521-I550 HydrophobicContact CB-CG2 4.41Å; L521-I550 HydrophobicContact CD2-CG2 4.05Å; I542-I550 HydrophobicContact CG2-CD1 3.77Å; A546-I550 HydrophobicContact CB-CD1 4.06Å; A546-I550 WeakPolarHBondContact O-CB 3.45Å; A546-I550 VanDerWaalsContact O-CG1 3.22Å; A546-I550 WeakPolarHBondContact O-CG1 3.16Å; A546-I550 PolarHBondContact O-N 3.41Å |
| 551 | F | 85.4 | Confident | 85.3 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -87.1 | -28.7 | -174.6 | -68.1 | -54.3 | 0 | 0 | 0 | 114.9 | L521 Y547 N553 S554 L555 L559 I563 L587 V590 | L521-F551 HydrophobicContact CD2-CE1 3.72Å; L521-F551 HydrophobicContact CD2-CE2 4.23Å; L521-F551 HydrophobicContact CD2-CZ 3.33Å; Y547-F551 HydrophobicContact CD1-CD2 4.34Å; Y547-F551 AromaticContact CD1-CE2 3.7Å; Y547-F551 HydrophobicContact CD1-CE2 3.7Å; Y547-F551 HydrophobicContact CE1-CE2 4.43Å; Y547-F551 VanDerWaalsContact O-CD2 3.23Å; Y547-F551 WeakPolarHBondContact O-CD2 3.3Å; Y547-F551 PolarHBondContact O-N 2.65Å; Y547-F551 VanDerWaalsContact O-N 3.17Å; F551-N553 VanDerWaalsContact C-N 3.35Å; F551-N553 PolarHBondContact O-N 3.05Å; F551-S554 PolarHBondContact O-N 2.88Å; F551-L555 HydrophobicContact CD1-CD1 3.89Å; F551-L555 HydrophobicContact CD2-CD1 3.88Å; F551-L555 HydrophobicContact CE1-CD1 3.82Å; F551-L555 HydrophobicContact CE2-CD1 3.72Å; F551-L555 HydrophobicContact CG-CD1 3.95Å; F551-L555 HydrophobicContact CZ-CD1 3.71Å; F551-L559 HydrophobicContact CD1-CD2 4.41Å; F551-L559 HydrophobicContact CE1-CD2 3.26Å; F551-L559 HydrophobicContact CE1-CG 4.38Å; F551-L559 HydrophobicContact CZ-CD2 3.55Å; F551-L559 HydrophobicContact CZ-CG 4.25Å; F551-I563 HydrophobicContact CE2-CD1 4.23Å; F551-I563 HydrophobicContact CZ-CD1 4.03Å; F551-L587 HydrophobicContact CD2-CD2 4.06Å; F551-L587 HydrophobicContact CE2-CD2 3.77Å; F551-V590 HydrophobicContact CB-CG1 4.03Å; F551-V590 HydrophobicContact CB-CG2 3.93Å |
| 552 | Q | 81.9 | Confident | 85.4 | Confident | 125 Ų | 125 | 50.7 Ų | 50.7 | 58% | 0.584 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.2 | -85.1 | 178.2 | -53.4 | -176.6 | 5.3 | 0 | 0 | 114.8 | S548 Q549 | S548-Q552 PolarHBondContact O-N 2.99Å; S548-Q552 VanDerWaalsContact O-N 3.17Å; Q549-Q552 WeakPolarHBondContact O-CG 3.3Å; Q549-Q552 PolarHBondContact O-NE2 3.35Å; Q549-Q552 VanDerWaalsContact O-NE2 3.12Å |
| 553 | N | 77.1 | Confident | 85.6 | Confident | 78 Ų | 78 | 50 Ų | 50 | 42% | 0.417 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -17.9 | -174.1 | -66 | -42.8 | 0 | 0 | 0 | 114.3 | F551 R591 R592 | F551-N553 VanDerWaalsContact C-N 3.35Å; F551-N553 PolarHBondContact O-N 3.05Å; N553-R591 WeakPolarHBondContact OD1-CD 3.39Å; N553-R591 PolarHBondContact OD1-NH1 2.72Å; N553-R592 WeakPolarHBondContact O-CD 3.43Å; N553-R592 WeakPolarHBondContact O-CG 3.35Å |
| 554 | S | 80.1 | Confident | 86 | Confident | 51 Ų | 51 | 47.2 Ų | 47.2 | 36% | 0.357 | 26% | 0.255 | S | S | . | . | trans | -144.2 | 123.9 | -171.9 | -157.5 | 0 | 0 | 0 | 0 | 112.5 | F551 | F551-S554 PolarHBondContact O-N 2.88Š| ||
| 555 | L | 86.1 | Confident | 86.3 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | trans | -120 | 120 | 171 | 176.8 | 65.3 | 0 | 0 | 0 | 107.5 | F551 L560 L587 V590 F593 A596 | F551-L555 HydrophobicContact CD1-CD1 3.89Å; F551-L555 HydrophobicContact CD2-CD1 3.88Å; F551-L555 HydrophobicContact CE1-CD1 3.82Å; F551-L555 HydrophobicContact CE2-CD1 3.72Å; F551-L555 HydrophobicContact CG-CD1 3.95Å; F551-L555 HydrophobicContact CZ-CD1 3.71Å; L555-L560 HydrophobicContact CD1-CB 4.46Å; L555-L560 HydrophobicContact CD2-CB 4.22Å; L555-L560 HydrophobicContact CD2-CD1 4.2Å; L555-L560 HydrophobicContact CD2-CD2 4.24Å; L555-L560 HydrophobicContact CD2-CG 4.44Å; L555-L560 HydrophobicContact CG-CB 4.29Å; L555-L587 HydrophobicContact CD2-CD2 4.45Å; L555-V590 HydrophobicContact CB-CG1 4.13Å; L555-F593 HydrophobicContact CD2-CD2 4.16Å; L555-A596 HydrophobicContact CD2-CB 4.48Å; L555-A596 HydrophobicContact CG-CB 4.49Å | ||
| 556 | E | 87.9 | Confident | 86.6 | Confident | 85 Ų | 85 | 48.5 Ų | 48.5 | 40% | 0.397 | 25% | 0.246 | S | C | . | . | trans | -80.6 | 142.6 | 178.9 | -65.1 | -171.6 | 165.7 | 0 | 0 | 111.2 | D558 L559 L560 | E556-D558 PolarHBondContact O-N 3.36Å; E556-L559 HydrophobicContact CB-CB 4.32Å; E556-L559 PolarHBondContact O-N 2.81Å; E556-L560 PolarHBondContact O-N 2.82Å; E556-L560 VanDerWaalsContact O-N 3.08Å | ||
| 557 | P | 87.6 | Confident | 86.8 | Confident | 46 Ų | 46 | 47.7 Ų | 47.7 | 30% | 0.299 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61 | -42.5 | -176.8 | -21.1 | 31 | 0 | 0 | 0 | 113.8 | L559 L560 Y561 F599 | P557-L559 VanDerWaalsContact C-N 3.28Å; P557-L559 PolarHBondContact O-N 3.13Å; P557-L560 PolarHBondContact O-N 2.94Å; P557-Y561 PolarHBondContact O-N 3.37Å; P557-F599 HydrophobicContact CB-CB 4.02Å; P557-F599 HydrophobicContact CG-CB 3.91Å; P557-F599 HydrophobicContact CG-CD2 4.14Å; P557-F599 HydrophobicContact CG-CG 4.32Å |
| 558 | D | 87.6 | Confident | 86.9 | Confident | 132 Ų | 132 | 50.6 Ų | 50.6 | 71% | 0.706 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -62.8 | -38.3 | -179 | -66.7 | -26.4 | 0 | 0 | 0 | 111.7 | E556 Y561 Q562 | E556-D558 PolarHBondContact O-N 3.36Å; D558-Y561 PolarHBondContact O-N 2.91Å; D558-Q562 PolarHBondContact O-N 3.08Å |
| 559 | L | 88.4 | Confident | 87.1 | Confident | 11 Ų | 11 | 51.3 Ų | 51.3 | 6% | 0.058 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.3 | -44.1 | 178 | -172.2 | 65 | 0 | 0 | 0 | 111.6 | L521 L525 F551 E556 P557 Y561 Q562 I563 | L521-L559 HydrophobicContact CD2-CD2 4.32Å; L525-L559 HydrophobicContact CD1-CD1 3.32Å; F551-L559 HydrophobicContact CD1-CD2 4.41Å; F551-L559 HydrophobicContact CE1-CD2 3.26Å; F551-L559 HydrophobicContact CE1-CG 4.38Å; F551-L559 HydrophobicContact CZ-CD2 3.55Å; F551-L559 HydrophobicContact CZ-CG 4.25Å; E556-L559 HydrophobicContact CB-CB 4.32Å; E556-L559 PolarHBondContact O-N 2.81Å; P557-L559 VanDerWaalsContact C-N 3.28Å; P557-L559 PolarHBondContact O-N 3.13Å; L559-Y561 VanDerWaalsContact C-N 3.29Å; L559-Y561 PolarHBondContact O-N 3.35Å; L559-Q562 PolarHBondContact O-N 3.44Å; L559-I563 HydrophobicContact CG-CD1 4.2Å; L559-I563 VanDerWaalsContact O-CG1 3.28Å; L559-I563 WeakPolarHBondContact O-CG1 3.02Å; L559-I563 PolarHBondContact O-N 3.12Å |
| 560 | L | 89.9 | Confident | 87.1 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.3 | -45.2 | 173.4 | 174.3 | 59.3 | 0 | 0 | 0 | 110.4 | L555 E556 P557 I563 L564 L587 F593 A596 M600 | L555-L560 HydrophobicContact CD1-CB 4.46Å; L555-L560 HydrophobicContact CD2-CB 4.22Å; L555-L560 HydrophobicContact CD2-CD1 4.2Å; L555-L560 HydrophobicContact CD2-CD2 4.24Å; L555-L560 HydrophobicContact CD2-CG 4.44Å; L555-L560 HydrophobicContact CG-CB 4.29Å; E556-L560 PolarHBondContact O-N 2.82Å; E556-L560 VanDerWaalsContact O-N 3.08Å; P557-L560 PolarHBondContact O-N 2.94Å; L560-I563 PolarHBondContact O-N 3.41Å; L560-L564 HydrophobicContact CD1-CD1 3.99Å; L560-L564 HydrophobicContact CD1-CD2 4.49Å; L560-L564 HydrophobicContact CD1-CG 4.03Å; L560-L564 HydrophobicContact CG-CD1 3.98Å; L560-L564 HydrophobicContact CG-CG 4.43Å; L560-L564 VanDerWaalsContact O-CG 3.24Å; L560-L564 WeakPolarHBondContact O-CG 3.47Å; L560-L564 PolarHBondContact O-N 3.16Å; L560-L587 HydrophobicContact CD1-CD1 4.19Å; L560-F593 HydrophobicContact CD2-CE2 4.45Å; L560-A596 HydrophobicContact CD2-CB 3.86Å; L560-M600 HydrophobicContact CD2-SD 4.48Å |
| 561 | Y | 89.3 | Confident | 87 | Confident | 67 Ų | 67 | 46.8 Ų | 46.8 | 26% | 0.263 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 177.2 | 170.4 | -115.5 | 0 | 0 | 0 | 112.8 | P557 D558 L559 I563 L564 R565 D604 | P557-Y561 PolarHBondContact O-N 3.37Å; D558-Y561 PolarHBondContact O-N 2.91Å; L559-Y561 VanDerWaalsContact C-N 3.29Å; L559-Y561 PolarHBondContact O-N 3.35Å; Y561-I563 VanDerWaalsContact C-N 3.27Å; Y561-I563 PolarHBondContact O-N 2.84Å; Y561-L564 PolarHBondContact O-N 2.94Å; Y561-L564 VanDerWaalsContact O-N 3.17Å; Y561-R565 HydrophobicContact CE2-CB 4.45Å; Y561-R565 WeakPolarHBondContact O-CB 3.42Å; Y561-R565 PolarHBondContact O-N 3.15Å; Y561-D604 HydrophobicContact CD2-CB 4.03Å; Y561-D604 VanDerWaalsContact CD2-CG 3.49Å; Y561-D604 WeakPolarHBondContact CD2-OD1 3.42Å; Y561-D604 HydrophobicContact CE2-CB 4.44Å; Y561-D604 WeakPolarHBondContact CE2-OD1 3.38Å |
| 562 | Q | 88.7 | Confident | 86.9 | Confident | 50 Ų | 50 | 49.2 Ų | 49.2 | 23% | 0.234 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.7 | -39 | 178.7 | -169.2 | 174.3 | 9.1 | 0 | 0 | 111.7 | D558 L559 T566 | D558-Q562 PolarHBondContact O-N 3.08Å; L559-Q562 PolarHBondContact O-N 3.44Å; Q562-T566 WeakPolarHBondContact O-CG2 3.38Å; Q562-T566 PolarHBondContact O-N 3.19Å; Q562-T566 VanDerWaalsContact O-N 3.12Å; Q562-T566 PolarHBondContact O-OG1 3.15Å |
| 563 | I | 90.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65 | -48.4 | 173.9 | -64.9 | 165.8 | 0 | 0 | 0 | 110.4 | L539 Y547 F551 L559 L560 Y561 R565 T566 L567 L587 | L539-I563 HydrophobicContact CD1-CG1 4.38Å; L539-I563 HydrophobicContact CD2-CG1 4.36Å; Y547-I563 HydrophobicContact CE1-CD1 4.29Å; F551-I563 HydrophobicContact CE2-CD1 4.23Å; F551-I563 HydrophobicContact CZ-CD1 4.03Å; L559-I563 HydrophobicContact CG-CD1 4.2Å; L559-I563 VanDerWaalsContact O-CG1 3.28Å; L559-I563 WeakPolarHBondContact O-CG1 3.02Å; L559-I563 PolarHBondContact O-N 3.12Å; L560-I563 PolarHBondContact O-N 3.41Å; Y561-I563 VanDerWaalsContact C-N 3.27Å; Y561-I563 PolarHBondContact O-N 2.84Å; I563-R565 VanDerWaalsContact C-N 3.34Å; I563-R565 PolarHBondContact O-N 3.04Å; I563-T566 WeakPolarHBondContact CA-OG1 3.31Å; I563-T566 PolarHBondContact O-N 3.4Å; I563-T566 PolarHBondContact O-OG1 3.42Å; I563-L567 HydrophobicContact CG2-CD1 4.13Å; I563-L567 HydrophobicContact CG2-CG 4.36Å; I563-L567 VanDerWaalsContact O-CG 3.32Å; I563-L567 WeakPolarHBondContact O-CG 3.37Å; I563-L567 PolarHBondContact O-N 3.18Å; I563-L587 HydrophobicContact CG2-CD1 4.1Å |
| 564 | L | 91.3 | Very high | 86.8 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.8 | -40.2 | -180 | -68.8 | 174.2 | 0 | 0 | 0 | 112.9 | L560 Y561 L567 R568 L584 M600 L608 L611 | L560-L564 HydrophobicContact CD1-CD1 3.99Å; L560-L564 HydrophobicContact CD1-CD2 4.49Å; L560-L564 HydrophobicContact CD1-CG 4.03Å; L560-L564 HydrophobicContact CG-CD1 3.98Å; L560-L564 HydrophobicContact CG-CG 4.43Å; L560-L564 VanDerWaalsContact O-CG 3.24Å; L560-L564 WeakPolarHBondContact O-CG 3.47Å; L560-L564 PolarHBondContact O-N 3.16Å; Y561-L564 PolarHBondContact O-N 2.94Å; Y561-L564 VanDerWaalsContact O-N 3.17Å; L564-L567 HydrophobicContact CD2-CD1 4.42Å; L564-L567 PolarHBondContact O-N 3.22Å; L564-R568 PolarHBondContact O-N 3.39Å; L564-L584 HydrophobicContact CD2-CD2 3.52Å; L564-M600 HydrophobicContact CD1-CE 3.65Å; L564-L608 HydrophobicContact CD1-CD1 4.22Å; L564-L608 HydrophobicContact CD1-CD2 3.77Å; L564-L608 HydrophobicContact CD1-CG 3.92Å; L564-L608 HydrophobicContact CD2-CD2 3.6Å; L564-L608 HydrophobicContact CG-CD2 4.27Å; L564-L611 HydrophobicContact CD2-CD1 4.28Å |
| 565 | R | 90.6 | Very high | 86.9 | Confident | 120 Ų | 120 | 47.1 Ų | 47.1 | 45% | 0.453 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.6 | -41.6 | 176.8 | -177.2 | 176.1 | 172.9 | 178 | -0.2 | 112 | Y561 I563 R568 D569 | Y561-R565 HydrophobicContact CE2-CB 4.45Å; Y561-R565 WeakPolarHBondContact O-CB 3.42Å; Y561-R565 PolarHBondContact O-N 3.15Å; I563-R565 VanDerWaalsContact C-N 3.34Å; I563-R565 PolarHBondContact O-N 3.04Å; R565-R568 PolarHBondContact O-N 3.17Å; R565-D569 WeakPolarHBondContact CG-OD2 3.4Å; R565-D569 IonicContact NE-OD2 4Å; R565-D569 WeakPolarHBondContact O-CB 3.48Å; R565-D569 VanDerWaalsContact O-CG 3.24Å; R565-D569 PolarHBondContact O-N 3.39Å |
| 566 | T | 89.6 | Confident | 86.8 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.3 | -34.8 | 178.3 | 54.5 | 0 | 0 | 0 | 0 | 112.1 | V535 L539 Q562 I563 F570 | V535-T566 HydrophobicContact CB-CG2 4.37Å; V535-T566 HydrophobicContact CG1-CG2 3.55Å; L539-T566 HydrophobicContact CD1-CG2 4.29Å; L539-T566 WeakPolarHBondContact CD1-OG1 3.37Å; Q562-T566 WeakPolarHBondContact O-CG2 3.38Å; Q562-T566 PolarHBondContact O-N 3.19Å; Q562-T566 VanDerWaalsContact O-N 3.12Å; Q562-T566 PolarHBondContact O-OG1 3.15Å; I563-T566 WeakPolarHBondContact CA-OG1 3.31Å; I563-T566 PolarHBondContact O-N 3.4Å; I563-T566 PolarHBondContact O-OG1 3.42Å; T566-F570 PolarHBondContact O-N 2.86Å |
| 567 | L | 89.8 | Confident | 86.5 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -59.7 | -45.2 | 169.8 | -70.1 | 175.5 | 0 | 0 | 0 | 111.1 | I563 L564 F571 I572 T583 L584 L611 | I563-L567 HydrophobicContact CG2-CD1 4.13Å; I563-L567 HydrophobicContact CG2-CG 4.36Å; I563-L567 VanDerWaalsContact O-CG 3.32Å; I563-L567 WeakPolarHBondContact O-CG 3.37Å; I563-L567 PolarHBondContact O-N 3.18Å; L564-L567 HydrophobicContact CD2-CD1 4.42Å; L564-L567 PolarHBondContact O-N 3.22Å; L567-F571 HydrophobicContact CD2-CB 4.1Å; L567-F571 HydrophobicContact CD2-CD1 3.88Å; L567-F571 HydrophobicContact CD2-CD2 3.76Å; L567-F571 HydrophobicContact CD2-CE1 4.21Å; L567-F571 HydrophobicContact CD2-CE2 4.08Å; L567-F571 HydrophobicContact CD2-CG 3.64Å; L567-F571 HydrophobicContact CD2-CZ 4.31Å; L567-F571 WeakPolarHBondContact O-CA 3.47Å; L567-F571 VanDerWaalsContact O-CB 3.28Å; L567-F571 WeakPolarHBondContact O-CB 3.49Å; L567-F571 PolarHBondContact O-N 2.96Å; L567-F571 VanDerWaalsContact O-N 3.11Å; L567-I572 PolarHBondContact O-N 2.75Å; L567-T583 HydrophobicContact CD1-CG2 4.33Å; L567-L584 HydrophobicContact CD1-CD2 4.21Å; L567-L611 HydrophobicContact CB-CD1 4.34Å; L567-L611 HydrophobicContact CB-CD2 4.19Å |
| 568 | R | 88.9 | Confident | 86.3 | Confident | 66 Ų | 66 | 48 Ų | 48 | 25% | 0.249 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -65.3 | -51.9 | 177.2 | -175.5 | -159.7 | 56.9 | -170.6 | -3.4 | 112 | L564 R565 I572 V607 E610 L611 | L564-R568 PolarHBondContact O-N 3.39Å; R565-R568 PolarHBondContact O-N 3.17Å; R568-I572 HydrophobicContact CB-CD1 4.4Å; R568-I572 HydrophobicContact CG-CD1 3.93Å; R568-I572 WeakPolarHBondContact O-CD1 3.43Å; R568-I572 WeakPolarHBondContact O-CG1 3.37Å; R568-V607 HydrophobicContact CB-CG1 3.86Å; R568-V607 HydrophobicContact CG-CG1 4.37Å; R568-E610 WeakPolarHBondContact CD-OE2 3.43Å; R568-E610 IonicContact NH1-OE2 3.56Å; R568-L611 HydrophobicContact CB-CD1 4.49Å; R568-L611 HydrophobicContact CB-CD2 4.2Å; R568-L611 HydrophobicContact CB-CG 4.2Å |
| 569 | D | 87.4 | Confident | 86.2 | Confident | 71 Ų | 71 | 43.1 Ų | 43.1 | 38% | 0.38 | 23% | 0.232 | S | C | . | . | I | π-helix | trans | -72.6 | -33.7 | -168.4 | -66.5 | -11.4 | 0 | 0 | 0 | 112.2 | R565 | R565-D569 WeakPolarHBondContact CG-OD2 3.4Å; R565-D569 IonicContact NE-OD2 4Å; R565-D569 WeakPolarHBondContact O-CB 3.48Å; R565-D569 VanDerWaalsContact O-CG 3.24Å; R565-D569 PolarHBondContact O-N 3.39Å |
| 570 | F | 86.1 | Confident | 86.1 | Confident | 42 Ų | 42 | 42.6 Ų | 42.6 | 18% | 0.184 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -122.5 | -32.9 | -172.3 | -63.8 | -85.7 | 0 | 0 | 0 | 115.3 | P532 E533 Y536 T566 N574 | P532-F570 HydrophobicContact CB-CE2 3.82Å; P532-F570 HydrophobicContact CB-CZ 3.87Å; P532-F570 HydrophobicContact CG-CZ 4.37Å; E533-F570 HydrophobicContact CG-CE1 3.98Å; E533-F570 HydrophobicContact CG-CZ 4.25Å; Y536-F570 HydrophobicContact CD1-CB 4.39Å; Y536-F570 HydrophobicContact CD2-CB 3.34Å; Y536-F570 HydrophobicContact CD2-CG 4.16Å; Y536-F570 HydrophobicContact CE2-CB 3.87Å; Y536-F570 HydrophobicContact CG-CB 3.64Å; Y536-F570 HydrophobicContact CG-CD1 4.28Å; Y536-F570 AromaticContact CG-CG 3.96Å; Y536-F570 HydrophobicContact CG-CG 3.96Å; T566-F570 PolarHBondContact O-N 2.86Å; F570-N574 WeakPolarHBondContact O-CB 3.5Å; F570-N574 PolarHBondContact O-N 2.8Å; F570-N574 PolarHBondContact O-ND2 2.86Å |
| 571 | F | 82.6 | Confident | 86 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 6% | 0.057 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -78.1 | -33.4 | -177.2 | -79.8 | -113.1 | 0 | 0 | 0 | 112.6 | Y536 L567 G573 N574 E575 I580 | Y536-F571 AromaticContact CD2-CD2 3.7Å; Y536-F571 HydrophobicContact CD2-CD2 3.7Å; Y536-F571 AromaticContact CD2-CE2 3.48Å; Y536-F571 HydrophobicContact CD2-CE2 3.48Å; Y536-F571 VanDerWaalsContact CD2-CE2 3.48Å; Y536-F571 HydrophobicContact CD2-CZ 4.32Å; Y536-F571 AromaticContact CE2-CD2 3.69Å; Y536-F571 HydrophobicContact CE2-CD2 3.69Å; Y536-F571 AromaticContact CE2-CE2 3.62Å; Y536-F571 HydrophobicContact CE2-CE2 3.62Å; Y536-F571 HydrophobicContact CE2-CG 4.28Å; Y536-F571 HydrophobicContact CE2-CZ 4.15Å; L567-F571 HydrophobicContact CD2-CB 4.1Å; L567-F571 HydrophobicContact CD2-CD1 3.88Å; L567-F571 HydrophobicContact CD2-CD2 3.76Å; L567-F571 HydrophobicContact CD2-CE1 4.21Å; L567-F571 HydrophobicContact CD2-CE2 4.08Å; L567-F571 HydrophobicContact CD2-CG 3.64Å; L567-F571 HydrophobicContact CD2-CZ 4.31Å; L567-F571 WeakPolarHBondContact O-CA 3.47Å; L567-F571 VanDerWaalsContact O-CB 3.28Å; L567-F571 WeakPolarHBondContact O-CB 3.49Å; L567-F571 PolarHBondContact O-N 2.96Å; L567-F571 VanDerWaalsContact O-N 3.11Å; F571-G573 PolarHBondContact O-N 3.32Å; F571-N574 PolarHBondContact O-N 2.97Å; F571-E575 HydrophobicContact CD1-CB 3.81Å; F571-E575 HydrophobicContact CD1-CG 3.79Å; F571-E575 HydrophobicContact CE1-CB 4.49Å; F571-E575 HydrophobicContact CE1-CG 4.08Å; F571-E575 HydrophobicContact CG-CB 4.49Å; F571-E575 HydrophobicContact CG-CG 4.49Å; F571-E575 PolarHBondContact O-N 3.15Å; F571-E575 VanDerWaalsContact O-N 3.1Å; F571-I580 HydrophobicContact CB-CD1 3.95Å; F571-I580 HydrophobicContact CB-CG1 4Å |
| 572 | I | 83.7 | Confident | 85.9 | Confident | 54 Ų | 54 | 46 Ų | 46 | 28% | 0.277 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -55.4 | -35.9 | 176.3 | -66.3 | -178.2 | 0 | 0 | 0 | 111.7 | L567 R568 L611 F614 | L567-I572 PolarHBondContact O-N 2.75Å; R568-I572 HydrophobicContact CB-CD1 4.4Å; R568-I572 HydrophobicContact CG-CD1 3.93Å; R568-I572 WeakPolarHBondContact O-CD1 3.43Å; R568-I572 WeakPolarHBondContact O-CG1 3.37Å; I572-L611 HydrophobicContact CD1-CD2 3.99Å; I572-L611 HydrophobicContact CG1-CD2 4.08Å; I572-F614 HydrophobicContact CG1-CD1 4.16Å; I572-F614 HydrophobicContact CG1-CE1 4.43Å; I572-F614 HydrophobicContact CG1-CG 4.41Å; I572-F614 HydrophobicContact CG2-CD1 4.36Å; I572-F614 HydrophobicContact CG2-CD2 3.85Å; I572-F614 HydrophobicContact CG2-CE1 4.27Å; I572-F614 HydrophobicContact CG2-CE2 3.75Å; I572-F614 HydrophobicContact CG2-CG 4.15Å; I572-F614 HydrophobicContact CG2-CZ 3.96Å |
| 573 | G | 79.9 | Confident | 85.9 | Confident | 67 Ų | 67 | 43.9 Ų | 43.9 | 69% | 0.691 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -88.4 | -23 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | F571 | F571-G573 PolarHBondContact O-N 3.32Å |
| 574 | N | 78.3 | Confident | 85.9 | Confident | 101 Ų | 101 | 43.9 Ų | 43.9 | 54% | 0.54 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -122.5 | -19.5 | -163 | -64.2 | -41.8 | 0 | 0 | 0 | 115.4 | Y536 F570 F571 | Y536-N574 VanDerWaalsContact OH-CB 3.24Å; Y536-N574 WeakPolarHBondContact OH-CB 3.45Å; F570-N574 WeakPolarHBondContact O-CB 3.5Å; F570-N574 PolarHBondContact O-N 2.8Å; F570-N574 PolarHBondContact O-ND2 2.86Å; F571-N574 PolarHBondContact O-N 2.97Å |
| 575 | E | 81.6 | Confident | 85.8 | Confident | 42 Ų | 42 | 45.3 Ų | 45.3 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -128 | 155.3 | -171 | -72.1 | -68.8 | 160.9 | 0 | 0 | 111.1 | R540 F571 | R540-E575 IonicContact CZ-OE1 3.04Å; R540-E575 VanDerWaalsContact CZ-OE1 3.31Å; R540-E575 IonicContact NE-OE1 2.81Å; R540-E575 PolarHBondContact NE-OE1 3.24Å; R540-E575 IonicContact NH2-OE1 3.3Å; R540-E575 PolarHBondContact NH2-OE1 3.18Å; F571-E575 HydrophobicContact CD1-CB 3.81Å; F571-E575 HydrophobicContact CD1-CG 3.79Å; F571-E575 HydrophobicContact CE1-CB 4.49Å; F571-E575 HydrophobicContact CE1-CG 4.08Å; F571-E575 HydrophobicContact CG-CB 4.49Å; F571-E575 HydrophobicContact CG-CG 4.49Å; F571-E575 PolarHBondContact O-N 3.15Å; F571-E575 VanDerWaalsContact O-N 3.1Å |
| 576 | P | 82.9 | Confident | 85.7 | Confident | 61 Ų | 61 | 41.1 Ų | 41.1 | 40% | 0.396 | 24% | 0.242 | S | C | . | . | trans | -68.4 | 147.4 | -179.1 | 28.8 | -32.9 | 0 | 0 | 0 | 110.9 | T578 S579 | P576-T578 PolarHBondContact O-N 2.94Å; P576-T578 VanDerWaalsContact O-N 3.07Å; P576-S579 PolarHBondContact O-N 3.25Å | ||
| 577 | P | 82.1 | Confident | 85.7 | Confident | 34 Ų | 34 | 40.7 Ų | 40.7 | 22% | 0.221 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.2 | -18.5 | -175.7 | 24.2 | -32.4 | 0 | 0 | 0 | 113.2 | I580 L581 F614 L615 A618 L620 | P577-I580 PolarHBondContact O-N 2.73Å; P577-L581 PolarHBondContact O-N 3.48Å; P577-F614 HydrophobicContact CB-CE1 4.07Å; P577-L615 HydrophobicContact CB-CD2 4.03Å; P577-L615 VanDerWaalsContact O-CD2 3.29Å; P577-L615 WeakPolarHBondContact O-CD2 3.41Å; P577-A618 HydrophobicContact CB-CB 3.87Å; P577-A618 HydrophobicContact CG-CB 3.78Å; P577-L620 HydrophobicContact CB-CD1 3.6Å; P577-L620 HydrophobicContact CG-CD1 3.79Å |
| 578 | T | 84.3 | Confident | 85.7 | Confident | 63 Ų | 63 | 41.1 Ų | 41.1 | 39% | 0.387 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.9 | -40.7 | 172.5 | 51.2 | 0 | 0 | 0 | 0 | 112.6 | P576 I580 L581 E582 L620 | P576-T578 PolarHBondContact O-N 2.94Å; P576-T578 VanDerWaalsContact O-N 3.07Å; T578-I580 VanDerWaalsContact C-N 3.3Å; T578-I580 PolarHBondContact O-N 3.21Å; T578-L581 PolarHBondContact O-N 3.41Å; T578-E582 WeakPolarHBondContact O-CG 3.48Å; T578-E582 PolarHBondContact O-N 3.43Å; T578-L620 HydrophobicContact CG2-CD1 4.01Å; T578-L620 HydrophobicContact CG2-CD2 3.75Å |
| 579 | S | 84.9 | Confident | 85.5 | Confident | 30 Ų | 30 | 40.9 Ų | 40.9 | 21% | 0.21 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65 | -36.3 | -179.8 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | P576 T583 | P576-S579 PolarHBondContact O-N 3.25Å; S579-T583 WeakPolarHBondContact O-CB 3.4Å; S579-T583 PolarHBondContact O-N 2.92Å; S579-T583 PolarHBondContact O-OG1 2.99Å |
| 580 | I | 85.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.5 | -45.7 | 176 | -59.9 | 173.1 | 0 | 0 | 0 | 109.7 | F571 P577 T578 E582 T583 L584 L611 F614 L615 | F571-I580 HydrophobicContact CB-CD1 3.95Å; F571-I580 HydrophobicContact CB-CG1 4Å; P577-I580 PolarHBondContact O-N 2.73Å; T578-I580 VanDerWaalsContact C-N 3.3Å; T578-I580 PolarHBondContact O-N 3.21Å; I580-E582 PolarHBondContact O-N 2.86Å; I580-T583 PolarHBondContact O-N 3.21Å; I580-L584 HydrophobicContact CG2-CD1 4.02Å; I580-L584 HydrophobicContact CG2-CG 4.42Å; I580-L584 WeakPolarHBondContact O-CG 3.45Å; I580-L584 PolarHBondContact O-N 3.12Å; I580-L611 HydrophobicContact CG2-CD2 4.41Å; I580-F614 HydrophobicContact CD1-CD1 4.44Å; I580-F614 HydrophobicContact CD1-CE1 4.11Å; I580-L615 HydrophobicContact CB-CD2 4.32Å; I580-L615 HydrophobicContact CG2-CD1 4.4Å; I580-L615 HydrophobicContact CG2-CD2 4.36Å |
| 581 | L | 88.1 | Confident | 85.5 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 13% | 0.131 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 178.9 | -175.7 | 66.2 | 0 | 0 | 0 | 112 | P577 T578 L584 G585 L615 V625 L628 | P577-L581 PolarHBondContact O-N 3.48Å; T578-L581 PolarHBondContact O-N 3.41Å; L581-L584 PolarHBondContact O-N 3.26Å; L581-G585 PolarHBondContact O-N 2.82Å; L581-L615 HydrophobicContact CB-CD2 4.41Å; L581-L615 HydrophobicContact CD1-CD1 4.29Å; L581-V625 HydrophobicContact CD1-CG2 3.88Å; L581-L628 HydrophobicContact CD1-CD1 3.74Å |
| 582 | E | 87.9 | Confident | 85.7 | Confident | 114 Ų | 114 | 51.8 Ų | 51.8 | 53% | 0.533 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 177.1 | -72.4 | 180 | -176.7 | 0 | 0 | 111.8 | P544 T578 I580 G585 C586 | P544-E582 HydrophobicContact CB-CB 3.84Å; P544-E582 HydrophobicContact CG-CB 4.24Å; T578-E582 WeakPolarHBondContact O-CG 3.48Å; T578-E582 PolarHBondContact O-N 3.43Å; I580-E582 PolarHBondContact O-N 2.86Å; E582-G585 PolarHBondContact O-N 3.17Å; E582-C586 WeakPolarHBondContact O-CB 3.5Å; E582-C586 PolarHBondContact O-N 3.49Å; E582-C586 PolarHBondContact O-SG 3.02Å; E582-C586 VanDerWaalsContact O-SG 3.39Å |
| 583 | T | 88.9 | Confident | 86 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 178.3 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | Y547 L567 S579 I580 G585 C586 L587 | Y547-T583 HydrophobicContact CD2-CG2 3.9Å; Y547-T583 HydrophobicContact CE2-CG2 3.59Å; L567-T583 HydrophobicContact CD1-CG2 4.33Å; S579-T583 WeakPolarHBondContact O-CB 3.4Å; S579-T583 PolarHBondContact O-N 2.92Å; S579-T583 PolarHBondContact O-OG1 2.99Å; I580-T583 PolarHBondContact O-N 3.21Å; T583-G585 VanDerWaalsContact C-N 3.32Å; T583-G585 PolarHBondContact O-N 3.03Å; T583-C586 PolarHBondContact O-N 3.07Å; T583-L587 HydrophobicContact CG2-CD1 4.23Å; T583-L587 VanDerWaalsContact O-CG 3.31Å; T583-L587 WeakPolarHBondContact O-CG 3.26Å; T583-L587 PolarHBondContact O-N 3.41Å |
| 584 | L | 89.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -39 | 174.7 | -68.6 | 175 | 0 | 0 | 0 | 111.6 | L564 L567 I580 L581 L587 A588 F612 L615 Y632 | L564-L584 HydrophobicContact CD2-CD2 3.52Å; L567-L584 HydrophobicContact CD1-CD2 4.21Å; I580-L584 HydrophobicContact CG2-CD1 4.02Å; I580-L584 HydrophobicContact CG2-CG 4.42Å; I580-L584 WeakPolarHBondContact O-CG 3.45Å; I580-L584 PolarHBondContact O-N 3.12Å; L581-L584 PolarHBondContact O-N 3.26Å; L584-L587 PolarHBondContact O-N 3.28Å; L584-A588 WeakPolarHBondContact O-CB 3.24Å; L584-A588 PolarHBondContact O-N 3.08Å; L584-F612 HydrophobicContact CD1-CE1 4.34Å; L584-F612 HydrophobicContact CD1-CZ 4.46Å; L584-L615 HydrophobicContact CD1-CD1 4.02Å; L584-Y632 HydrophobicContact CB-CE2 4.42Å; L584-Y632 HydrophobicContact CD2-CE1 4.49Å; L584-Y632 PolarHBondContact O-OH 3.2Å |
| 585 | G | 89.1 | Confident | 86.8 | Confident | 30 Ų | 30 | 51.7 Ų | 51.7 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | L581 E582 T583 A588 G589 | L581-G585 PolarHBondContact O-N 2.82Å; E582-G585 PolarHBondContact O-N 3.17Å; T583-G585 VanDerWaalsContact C-N 3.32Å; T583-G585 PolarHBondContact O-N 3.03Å; G585-A588 PolarHBondContact O-N 3.1Å; G585-G589 PolarHBondContact O-N 3.45Å |
| 586 | C | 88.6 | Confident | 87.2 | Confident | 33 Ų | 33 | 49.8 Ų | 49.8 | 22% | 0.223 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 178.8 | -72.4 | 0 | 0 | 0 | 0 | 112.7 | P544 E582 T583 G589 | P544-C586 VanDerWaalsContact O-CB 3.22Å; P544-C586 WeakPolarHBondContact O-CB 3.46Å; P544-C586 PolarHBondContact O-SG 3.26Å; E582-C586 WeakPolarHBondContact O-CB 3.5Å; E582-C586 PolarHBondContact O-N 3.49Å; E582-C586 PolarHBondContact O-SG 3.02Å; E582-C586 VanDerWaalsContact O-SG 3.39Å; T583-C586 PolarHBondContact O-N 3.07Å; C586-G589 PolarHBondContact O-N 3.44Å |
| 587 | L | 89 | Confident | 87.5 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 173.1 | -71.6 | 171.1 | 0 | 0 | 0 | 111.8 | Y547 F551 L555 L560 I563 T583 L584 G589 V590 F593 Y632 | Y547-L587 HydrophobicContact CD1-CD2 4.18Å; Y547-L587 HydrophobicContact CG-CD2 4.4Å; F551-L587 HydrophobicContact CD2-CD2 4.06Å; F551-L587 HydrophobicContact CE2-CD2 3.77Å; L555-L587 HydrophobicContact CD2-CD2 4.45Å; L560-L587 HydrophobicContact CD1-CD1 4.19Å; I563-L587 HydrophobicContact CG2-CD1 4.1Å; T583-L587 HydrophobicContact CG2-CD1 4.23Å; T583-L587 VanDerWaalsContact O-CG 3.31Å; T583-L587 WeakPolarHBondContact O-CG 3.26Å; T583-L587 PolarHBondContact O-N 3.41Å; L584-L587 PolarHBondContact O-N 3.28Å; L587-G589 PolarHBondContact O-N 3.33Å; L587-V590 WeakPolarHBondContact O-CG2 3.46Å; L587-V590 PolarHBondContact O-N 2.62Å; L587-F593 WeakPolarHBondContact O-CD2 3.28Å; L587-Y632 WeakPolarHBondContact CB-OH 3.3Å |
| 588 | A | 89.3 | Confident | 87.8 | Confident | 12 Ų | 12 | 52.3 Ų | 52.3 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66 | -17 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | L584 G585 F593 L628 K631 Y632 | L584-A588 WeakPolarHBondContact O-CB 3.24Å; L584-A588 PolarHBondContact O-N 3.08Å; G585-A588 PolarHBondContact O-N 3.1Å; A588-F593 HydrophobicContact CB-CD1 4.35Å; A588-F593 HydrophobicContact CB-CE1 4Å; A588-F593 HydrophobicContact CB-CE2 4.4Å; A588-F593 HydrophobicContact CB-CZ 4.03Å; A588-L628 HydrophobicContact CB-CD2 3.84Å; A588-K631 HydrophobicContact CB-CD 4.3Å; A588-Y632 HydrophobicContact CB-CE2 3.99Å |
| 589 | G | 86.4 | Confident | 88.1 | Confident | 60 Ų | 60 | 56 Ų | 56 | 62% | 0.619 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -6.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | G585 C586 L587 | G585-G589 PolarHBondContact O-N 3.45Å; C586-G589 PolarHBondContact O-N 3.44Å; L587-G589 PolarHBondContact O-N 3.33Å |
| 590 | V | 88.6 | Confident | 88.1 | Confident | 9 Ų | 9 | 55.6 Ų | 55.6 | 6% | 0.055 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -75.8 | 137.9 | -176.4 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | F551 L555 L587 R592 F593 | F551-V590 HydrophobicContact CB-CG1 4.03Å; F551-V590 HydrophobicContact CB-CG2 3.93Å; L555-V590 HydrophobicContact CB-CG1 4.13Å; L587-V590 WeakPolarHBondContact O-CG2 3.46Å; L587-V590 PolarHBondContact O-N 2.62Å; V590-R592 VanDerWaalsContact C-N 3.28Å; V590-R592 PolarHBondContact O-N 2.9Å; V590-R592 VanDerWaalsContact O-N 3.11Å; V590-F593 HydrophobicContact CB-CB 4.36Å; V590-F593 WeakPolarHBondContact O-CB 3.35Å; V590-F593 PolarHBondContact O-N 2.78Å |
| 591 | R | 84.1 | Confident | 88.4 | Confident | 203 Ų | 203 | 58.5 Ų | 58.5 | 77% | 0.766 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -34.6 | -172.8 | -69.5 | -177.6 | 178.9 | 175.5 | -7.1 | 115.1 | N553 | N553-R591 WeakPolarHBondContact OD1-CD 3.39Å; N553-R591 PolarHBondContact OD1-NH1 2.72Å |
| 592 | R | 86.3 | Confident | 88.4 | Confident | 144 Ų | 144 | 62.8 Ų | 62.8 | 54% | 0.543 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 16.3 | 179 | -72.4 | -174.3 | -177.2 | 173.2 | -1.1 | 113.9 | N553 V590 H594 M595 A596 | N553-R592 WeakPolarHBondContact O-CD 3.43Å; N553-R592 WeakPolarHBondContact O-CG 3.35Å; V590-R592 VanDerWaalsContact C-N 3.28Å; V590-R592 PolarHBondContact O-N 2.9Å; V590-R592 VanDerWaalsContact O-N 3.11Å; R592-H594 PolarHBondContact O-N 3.03Å; R592-M595 PolarHBondContact O-N 3.48Å; R592-M595 VanDerWaalsContact O-N 3.14Å; R592-A596 PolarHBondContact O-N 3.44Å |
| 593 | F | 90.6 | Very high | 88.3 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.009 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56 | -45.7 | -178.7 | 172.8 | -103.8 | 0 | 0 | 0 | 113.2 | L555 L560 L587 A588 V590 M595 A596 V597 K631 Y632 | L555-F593 HydrophobicContact CD2-CD2 4.16Å; L560-F593 HydrophobicContact CD2-CE2 4.45Å; L587-F593 WeakPolarHBondContact O-CD2 3.28Å; A588-F593 HydrophobicContact CB-CD1 4.35Å; A588-F593 HydrophobicContact CB-CE1 4Å; A588-F593 HydrophobicContact CB-CE2 4.4Å; A588-F593 HydrophobicContact CB-CZ 4.03Å; V590-F593 HydrophobicContact CB-CB 4.36Å; V590-F593 WeakPolarHBondContact O-CB 3.35Å; V590-F593 PolarHBondContact O-N 2.78Å; F593-M595 PolarHBondContact O-N 2.92Å; F593-A596 WeakPolarHBondContact O-CB 3.49Å; F593-A596 PolarHBondContact O-N 3.44Å; F593-V597 HydrophobicContact CD1-CG2 4.09Å; F593-V597 HydrophobicContact CD2-CG2 4.3Å; F593-V597 HydrophobicContact CE1-CG2 3.55Å; F593-V597 HydrophobicContact CE2-CG2 3.79Å; F593-V597 HydrophobicContact CG-CG2 4.43Å; F593-V597 HydrophobicContact CZ-CG2 3.37Å; F593-V597 WeakPolarHBondContact O-CG2 3.27Å; F593-V597 PolarHBondContact O-N 3.27Å; F593-K631 HydrophobicContact CE1-CB 4.26Å; F593-Y632 HydrophobicContact CE2-CD1 4.11Å; F593-Y632 AromaticContact CE2-CE1 3.49Å; F593-Y632 HydrophobicContact CE2-CE1 3.49Å; F593-Y632 VanDerWaalsContact CE2-CE1 3.49Å; F593-Y632 HydrophobicContact CE2-CE2 4.19Å; F593-Y632 AromaticContact CE2-CZ 3.52Å; F593-Y632 AromaticContact CZ-CD1 3.6Å; F593-Y632 HydrophobicContact CZ-CD1 3.6Å; F593-Y632 AromaticContact CZ-CD2 3.82Å; F593-Y632 HydrophobicContact CZ-CD2 3.82Å; F593-Y632 AromaticContact CZ-CE1 3.38Å; F593-Y632 HydrophobicContact CZ-CE1 3.38Å; F593-Y632 AromaticContact CZ-CE2 3.6Å; F593-Y632 HydrophobicContact CZ-CE2 3.6Å; F593-Y632 AromaticContact CZ-CG 3.82Å; F593-Y632 HydrophobicContact CZ-CG 3.82Å; F593-Y632 AromaticContact CZ-CZ 3.37Å |
| 594 | H | 88.7 | Confident | 88.3 | Confident | 118 Ų | 118 | 64.6 Ų | 64.6 | 55% | 0.546 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.3 | -30.6 | 179.7 | -71.9 | -62.4 | 0 | 0 | 0 | 113.6 | R592 V597 M598 | R592-H594 PolarHBondContact O-N 3.03Å; H594-V597 PolarHBondContact O-N 3.31Å; H594-M598 WeakPolarHBondContact O-CG 3.42Å; H594-M598 PolarHBondContact O-N 3.23Å; H594-M598 VanDerWaalsContact O-N 3.11Å |
| 595 | M | 86.9 | Confident | 88.3 | Confident | 100 Ų | 100 | 68.3 Ų | 68.3 | 49% | 0.493 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.2 | -44.6 | 173.9 | -62.4 | -140.4 | 78.8 | 0 | 0 | 110.8 | R592 F593 V597 M598 F599 | R592-M595 PolarHBondContact O-N 3.48Å; R592-M595 VanDerWaalsContact O-N 3.14Å; F593-M595 PolarHBondContact O-N 2.92Å; M595-V597 VanDerWaalsContact C-N 3.3Å; M595-V597 PolarHBondContact O-N 3Å; M595-M598 HydrophobicContact CB-CE 4.45Å; M595-M598 HydrophobicContact CE-CE 3.77Å; M595-M598 HydrophobicContact CG-CE 4.21Å; M595-M598 PolarHBondContact O-N 2.92Å; M595-M598 VanDerWaalsContact O-N 3.15Å; M595-F599 WeakPolarHBondContact O-CD2 3.32Å; M595-F599 PolarHBondContact O-N 3.11Å |
| 596 | A | 88.1 | Confident | 88.4 | Confident | 2 Ų | 2 | 73.2 Ų | 73.2 | 2% | 0.017 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L555 L560 R592 F593 M598 F599 | L555-A596 HydrophobicContact CD2-CB 4.48Å; L555-A596 HydrophobicContact CG-CB 4.49Å; L560-A596 HydrophobicContact CD2-CB 3.86Å; R592-A596 PolarHBondContact O-N 3.44Å; F593-A596 WeakPolarHBondContact O-CB 3.49Å; F593-A596 PolarHBondContact O-N 3.44Å; A596-M598 VanDerWaalsContact C-N 3.33Å; A596-M598 PolarHBondContact O-N 3.29Å; A596-F599 PolarHBondContact O-N 3.27Å |
| 597 | V | 91.1 | Very high | 88.5 | Confident | 15 Ų | 15 | 72 Ų | 72 | 9% | 0.091 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.8 | -36.7 | 175.9 | 174.9 | 0 | 0 | 0 | 0 | 112.3 | F593 H594 M595 F599 M600 Y632 | F593-V597 HydrophobicContact CD1-CG2 4.09Å; F593-V597 HydrophobicContact CD2-CG2 4.3Å; F593-V597 HydrophobicContact CE1-CG2 3.55Å; F593-V597 HydrophobicContact CE2-CG2 3.79Å; F593-V597 HydrophobicContact CG-CG2 4.43Å; F593-V597 HydrophobicContact CZ-CG2 3.37Å; F593-V597 WeakPolarHBondContact O-CG2 3.27Å; F593-V597 PolarHBondContact O-N 3.27Å; H594-V597 PolarHBondContact O-N 3.31Å; M595-V597 VanDerWaalsContact C-N 3.3Å; M595-V597 PolarHBondContact O-N 3Å; V597-F599 VanDerWaalsContact C-N 3.27Å; V597-F599 PolarHBondContact O-N 2.88Å; V597-M600 WeakPolarHBondContact O-CB 3.48Å; V597-M600 WeakPolarHBondContact O-CG 3.46Å; V597-M600 PolarHBondContact O-N 3.49Å; V597-Y632 VanDerWaalsContact CG1-O 3.27Å; V597-Y632 WeakPolarHBondContact CG1-O 3.29Å; V597-Y632 HydrophobicContact CG2-CD1 4.46Å |
| 598 | M | 87.1 | Confident | 88.6 | Confident | 133 Ų | 133 | 72 Ų | 72 | 66% | 0.655 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.4 | -28.1 | 178.5 | -75.6 | -169.8 | -64.5 | 0 | 0 | 113.4 | H594 M595 A596 M600 | H594-M598 WeakPolarHBondContact O-CG 3.42Å; H594-M598 PolarHBondContact O-N 3.23Å; H594-M598 VanDerWaalsContact O-N 3.11Å; M595-M598 HydrophobicContact CB-CE 4.45Å; M595-M598 HydrophobicContact CE-CE 3.77Å; M595-M598 HydrophobicContact CG-CE 4.21Å; M595-M598 PolarHBondContact O-N 2.92Å; M595-M598 VanDerWaalsContact O-N 3.15Å; A596-M598 VanDerWaalsContact C-N 3.33Å; A596-M598 PolarHBondContact O-N 3.29Å; M598-M600 VanDerWaalsContact C-N 3.34Å |
| 599 | F | 89.8 | Confident | 88.6 | Confident | 140 Ų | 140 | 76.5 Ų | 76.5 | 61% | 0.614 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 5.9 | 179 | -67.5 | -72.3 | 0 | 0 | 0 | 113.8 | P557 M595 A596 V597 | P557-F599 HydrophobicContact CB-CB 4.02Å; P557-F599 HydrophobicContact CG-CB 3.91Å; P557-F599 HydrophobicContact CG-CD2 4.14Å; P557-F599 HydrophobicContact CG-CG 4.32Å; M595-F599 WeakPolarHBondContact O-CD2 3.32Å; M595-F599 PolarHBondContact O-N 3.11Å; A596-F599 PolarHBondContact O-N 3.27Å; V597-F599 VanDerWaalsContact C-N 3.27Å; V597-F599 PolarHBondContact O-N 2.88Å |
| 600 | M | 86.6 | Confident | 88.8 | Confident | 21 Ų | 21 | 76.9 Ų | 76.9 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | trans | -72.3 | 132.3 | 179.1 | -65.9 | -171.1 | 73.5 | 0 | 0 | 112.2 | L560 L564 V597 M598 D604 L608 | L560-M600 HydrophobicContact CD2-SD 4.48Å; L564-M600 HydrophobicContact CD1-CE 3.65Å; V597-M600 WeakPolarHBondContact O-CB 3.48Å; V597-M600 WeakPolarHBondContact O-CG 3.46Å; V597-M600 PolarHBondContact O-N 3.49Å; M598-M600 VanDerWaalsContact C-N 3.34Å; M600-D604 HydrophobicContact CB-CB 4.28Å; M600-D604 HydrophobicContact CE-CB 3.48Å; M600-D604 VanDerWaalsContact CE-CB 3.48Å; M600-L608 HydrophobicContact CE-CD1 3.34Å; M600-L608 HydrophobicContact CE-CG 4.08Å; M600-L608 HydrophobicContact SD-CD1 3.81Å | ||
| 601 | T | 90.7 | Very high | 88.8 | Confident | 62 Ų | 62 | 76.4 Ų | 76.4 | 38% | 0.38 | 36% | 0.355 | S | S | . | . | trans | -75.1 | 163.3 | 176.3 | 74 | 0 | 0 | 0 | 0 | 111.4 | Q603 D604 K605 | T601-Q603 PolarHBondContact O-N 3.45Å; T601-Q603 PolarHBondContact OG1-N 3.36Å; T601-D604 WeakPolarHBondContact CB-OD2 3.1Å; T601-D604 PolarHBondContact N-OD2 3.42Å; T601-D604 PolarHBondContact O-N 3.32Å; T601-D604 VanDerWaalsContact O-N 3.1Å; T601-D604 PolarHBondContact OG1-N 3.1Å; T601-D604 PolarHBondContact OG1-OD1 3.36Å; T601-D604 VanDerWaalsContact OG1-OD1 3.11Å; T601-D604 PolarHBondContact OG1-OD2 3.05Å; T601-K605 PolarHBondContact O-N 3.4Å; T601-K605 VanDerWaalsContact O-N 3.15Å | ||
| 602 | P | 88.5 | Confident | 89.1 | Confident | 114 Ų | 114 | 66.8 Ų | 66.8 | 74% | 0.74 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58.4 | -28 | 174.1 | -24.4 | 34 | 0 | 0 | 0 | 113.8 | K606 | P602-K606 PolarHBondContact O-N 3.36Å |
| 603 | Q | 87.1 | Confident | 89.2 | Confident | 144 Ų | 144 | 63.9 Ų | 63.9 | 67% | 0.673 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -69.3 | -41.3 | 176.2 | -63.9 | -176.2 | -1 | 0 | 0 | 110.8 | T601 K605 K606 V607 | T601-Q603 PolarHBondContact O-N 3.45Å; T601-Q603 PolarHBondContact OG1-N 3.36Å; Q603-K605 VanDerWaalsContact C-N 3.34Å; Q603-K605 PolarHBondContact O-N 3.23Å; Q603-K606 VanDerWaalsContact O-CB 3.29Å; Q603-K606 WeakPolarHBondContact O-CB 3.48Å; Q603-K606 PolarHBondContact O-N 3.2Å; Q603-K606 VanDerWaalsContact O-N 3.07Å; Q603-V607 PolarHBondContact O-N 2.76Å; Q603-V607 VanDerWaalsContact O-N 3.13Å |
| 604 | D | 88.3 | Confident | 89 | Confident | 15 Ų | 15 | 66.2 Ų | 66.2 | 8% | 0.08 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.8 | -37.7 | -179.7 | -46.2 | -28.2 | 0 | 0 | 0 | 111.1 | Y561 M600 T601 K606 V607 L608 | Y561-D604 HydrophobicContact CD2-CB 4.03Å; Y561-D604 VanDerWaalsContact CD2-CG 3.49Å; Y561-D604 WeakPolarHBondContact CD2-OD1 3.42Å; Y561-D604 HydrophobicContact CE2-CB 4.44Å; Y561-D604 WeakPolarHBondContact CE2-OD1 3.38Å; M600-D604 HydrophobicContact CB-CB 4.28Å; M600-D604 HydrophobicContact CE-CB 3.48Å; M600-D604 VanDerWaalsContact CE-CB 3.48Å; T601-D604 WeakPolarHBondContact CB-OD2 3.1Å; T601-D604 PolarHBondContact N-OD2 3.42Å; T601-D604 PolarHBondContact O-N 3.32Å; T601-D604 VanDerWaalsContact O-N 3.1Å; T601-D604 PolarHBondContact OG1-N 3.1Å; T601-D604 PolarHBondContact OG1-OD1 3.36Å; T601-D604 VanDerWaalsContact OG1-OD1 3.11Å; T601-D604 PolarHBondContact OG1-OD2 3.05Å; D604-K606 VanDerWaalsContact C-N 3.25Å; D604-K606 PolarHBondContact O-N 3.05Å; D604-V607 WeakPolarHBondContact O-CB 3.4Å; D604-V607 PolarHBondContact O-N 3.23Å; D604-L608 PolarHBondContact O-N 3.11Å |
| 605 | K | 89 | Confident | 88.9 | Confident | 78 Ų | 78 | 60.6 Ų | 60.6 | 34% | 0.339 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.3 | -31.9 | 172.4 | -66.4 | -171.7 | -178.7 | -168.3 | 0 | 112.3 | T601 Q603 L608 K609 | T601-K605 PolarHBondContact O-N 3.4Å; T601-K605 VanDerWaalsContact O-N 3.15Å; Q603-K605 VanDerWaalsContact C-N 3.34Å; Q603-K605 PolarHBondContact O-N 3.23Å; K605-L608 PolarHBondContact O-N 2.99Å; K605-K609 WeakPolarHBondContact O-CG 3.49Å; K605-K609 PolarHBondContact O-N 3.45Å |
| 606 | K | 91.2 | Very high | 88.7 | Confident | 133 Ų | 133 | 58.3 Ų | 58.3 | 58% | 0.578 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67.6 | -42.7 | 173.5 | -171 | -175.2 | 174 | -172.5 | 0 | 111.5 | P602 Q603 D604 L608 K609 E610 | P602-K606 PolarHBondContact O-N 3.36Å; Q603-K606 VanDerWaalsContact O-CB 3.29Å; Q603-K606 WeakPolarHBondContact O-CB 3.48Å; Q603-K606 PolarHBondContact O-N 3.2Å; Q603-K606 VanDerWaalsContact O-N 3.07Å; D604-K606 VanDerWaalsContact C-N 3.25Å; D604-K606 PolarHBondContact O-N 3.05Å; K606-L608 VanDerWaalsContact C-N 3.31Å; K606-L608 PolarHBondContact O-N 3.04Å; K606-K609 PolarHBondContact O-N 3.04Å; K606-E610 WeakPolarHBondContact CE-OE1 3.32Å; K606-E610 WeakPolarHBondContact O-CG 3.35Å; K606-E610 PolarHBondContact O-N 3.08Å |
| 607 | V | 91.4 | Very high | 88.5 | Confident | 7 Ų | 7 | 65.5 Ų | 65.5 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 174 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | R568 Q603 D604 E610 L611 | R568-V607 HydrophobicContact CB-CG1 3.86Å; R568-V607 HydrophobicContact CG-CG1 4.37Å; Q603-V607 PolarHBondContact O-N 2.76Å; Q603-V607 VanDerWaalsContact O-N 3.13Å; D604-V607 WeakPolarHBondContact O-CB 3.4Å; D604-V607 PolarHBondContact O-N 3.23Å; V607-E610 PolarHBondContact O-N 3.45Å; V607-L611 HydrophobicContact CG1-CD1 4.32Å; V607-L611 WeakPolarHBondContact O-CG 3.26Å; V607-L611 PolarHBondContact O-N 2.59Å |
| 608 | L | 90.6 | Very high | 88 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 175.5 | -80.3 | 173 | 0 | 0 | 0 | 112.9 | L564 M600 D604 K605 K606 E610 L611 F612 Y632 V634 | L564-L608 HydrophobicContact CD1-CD1 4.22Å; L564-L608 HydrophobicContact CD1-CD2 3.77Å; L564-L608 HydrophobicContact CD1-CG 3.92Å; L564-L608 HydrophobicContact CD2-CD2 3.6Å; L564-L608 HydrophobicContact CG-CD2 4.27Å; M600-L608 HydrophobicContact CE-CD1 3.34Å; M600-L608 HydrophobicContact CE-CG 4.08Å; M600-L608 HydrophobicContact SD-CD1 3.81Å; D604-L608 PolarHBondContact O-N 3.11Å; K605-L608 PolarHBondContact O-N 2.99Å; K606-L608 VanDerWaalsContact C-N 3.31Å; K606-L608 PolarHBondContact O-N 3.04Å; L608-E610 VanDerWaalsContact C-N 3.34Å; L608-E610 PolarHBondContact O-N 3.04Å; L608-L611 PolarHBondContact O-N 3.17Å; L608-F612 HydrophobicContact CB-CD2 4.43Å; L608-F612 HydrophobicContact CB-CE2 4.47Å; L608-F612 HydrophobicContact CD2-CE2 4.18Å; L608-F612 WeakPolarHBondContact O-CD2 3.25Å; L608-F612 PolarHBondContact O-N 3.39Å; L608-Y632 HydrophobicContact CD1-CD1 3.77Å; L608-Y632 HydrophobicContact CD1-CG 4.36Å; L608-Y632 HydrophobicContact CD2-CD1 3.92Å; L608-Y632 HydrophobicContact CD2-CE1 4.22Å; L608-Y632 HydrophobicContact CD2-CG 4.49Å; L608-V634 HydrophobicContact CB-CG2 3.9Å; L608-V634 HydrophobicContact CD1-CG2 3.86Å |
| 609 | K | 89.9 | Confident | 87.4 | Confident | 106 Ų | 106 | 68.6 Ų | 68.6 | 46% | 0.461 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.2 | -47 | 175 | -75.5 | 180 | -179.1 | -169.6 | 0 | 111.3 | K605 K606 L611 F612 D613 V634 | K605-K609 WeakPolarHBondContact O-CG 3.49Å; K605-K609 PolarHBondContact O-N 3.45Å; K606-K609 PolarHBondContact O-N 3.04Å; K609-L611 VanDerWaalsContact C-N 3.32Å; K609-L611 PolarHBondContact O-N 3.23Å; K609-F612 PolarHBondContact O-N 2.87Å; K609-D613 WeakPolarHBondContact O-CB 3.29Å; K609-D613 PolarHBondContact O-N 3.21Å; K609-V634 HydrophobicContact CB-CG1 4.43Å; K609-V634 HydrophobicContact CD-CG1 4.17Å; K609-V634 HydrophobicContact CG-CG1 3.28Å |
| 610 | E | 89.8 | Confident | 86.3 | Confident | 68 Ų | 68 | 63.9 Ų | 63.9 | 32% | 0.318 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 177.2 | -69.5 | 166.7 | -174.4 | 0 | 0 | 112 | R568 K606 V607 L608 F614 | R568-E610 WeakPolarHBondContact CD-OE2 3.43Å; R568-E610 IonicContact NH1-OE2 3.56Å; K606-E610 WeakPolarHBondContact CE-OE1 3.32Å; K606-E610 WeakPolarHBondContact O-CG 3.35Å; K606-E610 PolarHBondContact O-N 3.08Å; V607-E610 PolarHBondContact O-N 3.45Å; L608-E610 VanDerWaalsContact C-N 3.34Å; L608-E610 PolarHBondContact O-N 3.04Å; E610-F614 PolarHBondContact O-N 3.42Å; E610-F614 VanDerWaalsContact O-N 3.14Å |
| 611 | L | 89.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 175.2 | -78.5 | 167.9 | 0 | 0 | 0 | 112.6 | L564 L567 R568 I572 I580 V607 L608 K609 F614 L615 | L564-L611 HydrophobicContact CD2-CD1 4.28Å; L567-L611 HydrophobicContact CB-CD1 4.34Å; L567-L611 HydrophobicContact CB-CD2 4.19Å; R568-L611 HydrophobicContact CB-CD1 4.49Å; R568-L611 HydrophobicContact CB-CD2 4.2Å; R568-L611 HydrophobicContact CB-CG 4.2Å; I572-L611 HydrophobicContact CD1-CD2 3.99Å; I572-L611 HydrophobicContact CG1-CD2 4.08Å; I580-L611 HydrophobicContact CG2-CD2 4.41Å; V607-L611 HydrophobicContact CG1-CD1 4.32Å; V607-L611 WeakPolarHBondContact O-CG 3.26Å; V607-L611 PolarHBondContact O-N 2.59Å; L608-L611 PolarHBondContact O-N 3.17Å; K609-L611 VanDerWaalsContact C-N 3.32Å; K609-L611 PolarHBondContact O-N 3.23Å; L611-F614 PolarHBondContact O-N 3.3Å; L611-L615 WeakPolarHBondContact O-CG 3.39Å; L611-L615 PolarHBondContact O-N 3.36Å; L611-L615 VanDerWaalsContact O-N 3.08Å |
| 612 | F | 89.2 | Confident | 84.8 | Confident | 1 Ų | 1 | 69.7 Ų | 69.7 | 0% | 0.004 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -70.5 | -37.1 | 179.1 | -77.8 | -61.3 | 0 | 0 | 0 | 112.5 | L584 L608 K609 F614 L615 L616 V625 L628 Q629 Y632 | L584-F612 HydrophobicContact CD1-CE1 4.34Å; L584-F612 HydrophobicContact CD1-CZ 4.46Å; L608-F612 HydrophobicContact CB-CD2 4.43Å; L608-F612 HydrophobicContact CB-CE2 4.47Å; L608-F612 HydrophobicContact CD2-CE2 4.18Å; L608-F612 WeakPolarHBondContact O-CD2 3.25Å; L608-F612 PolarHBondContact O-N 3.39Å; K609-F612 PolarHBondContact O-N 2.87Å; F612-F614 VanDerWaalsContact C-N 3.27Å; F612-F614 PolarHBondContact O-N 2.91Å; F612-L615 HydrophobicContact CD1-CD1 4.11Å; F612-L615 HydrophobicContact CE1-CD1 4.49Å; F612-L615 PolarHBondContact O-N 3.5Å; F612-L615 VanDerWaalsContact O-N 3.16Å; F612-L616 WeakPolarHBondContact O-CB 3.34Å; F612-L616 VanDerWaalsContact O-CG 3.25Å; F612-L616 WeakPolarHBondContact O-CG 3.32Å; F612-L616 PolarHBondContact O-N 2.88Å; F612-V625 HydrophobicContact CD1-CG1 3.9Å; F612-V625 HydrophobicContact CE1-CG1 4.46Å; F612-L628 HydrophobicContact CE1-CB 4.05Å; F612-L628 HydrophobicContact CZ-CB 4.19Å; F612-Q629 HydrophobicContact CB-CG 4.2Å; F612-Q629 HydrophobicContact CD1-CG 3.71Å; F612-Q629 HydrophobicContact CD2-CG 3.84Å; F612-Q629 HydrophobicContact CE1-CG 3.96Å; F612-Q629 HydrophobicContact CE2-CG 4.09Å; F612-Q629 HydrophobicContact CG-CG 3.65Å; F612-Q629 HydrophobicContact CZ-CG 4.15Å; F612-Y632 HydrophobicContact CE2-CD2 4.47Å; F612-Y632 HydrophobicContact CE2-CG 4.41Å; F612-Y632 HydrophobicContact CZ-CD2 4Å; F612-Y632 HydrophobicContact CZ-CG 4.39Å |
| 613 | D | 88.3 | Confident | 84.4 | Confident | 83 Ų | 83 | 68.4 Ų | 68.4 | 44% | 0.444 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 174.2 | -71.6 | -20.4 | 0 | 0 | 0 | 110.8 | K609 L616 Q617 | K609-D613 WeakPolarHBondContact O-CB 3.29Å; K609-D613 PolarHBondContact O-N 3.21Å; D613-L616 PolarHBondContact O-N 3.34Å; D613-Q617 VanDerWaalsContact O-CG 3.26Å; D613-Q617 WeakPolarHBondContact O-CG 3.42Å; D613-Q617 PolarHBondContact O-N 3.3Å |
| 614 | F | 87.9 | Confident | 84.2 | Confident | 51 Ų | 51 | 64.4 Ų | 64.4 | 22% | 0.224 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 172.7 | 176.3 | -106.3 | 0 | 0 | 0 | 112.4 | I572 P577 I580 E610 L611 F612 L616 Q617 A618 | I572-F614 HydrophobicContact CG1-CD1 4.16Å; I572-F614 HydrophobicContact CG1-CE1 4.43Å; I572-F614 HydrophobicContact CG1-CG 4.41Å; I572-F614 HydrophobicContact CG2-CD1 4.36Å; I572-F614 HydrophobicContact CG2-CD2 3.85Å; I572-F614 HydrophobicContact CG2-CE1 4.27Å; I572-F614 HydrophobicContact CG2-CE2 3.75Å; I572-F614 HydrophobicContact CG2-CG 4.15Å; I572-F614 HydrophobicContact CG2-CZ 3.96Å; P577-F614 HydrophobicContact CB-CE1 4.07Å; I580-F614 HydrophobicContact CD1-CD1 4.44Å; I580-F614 HydrophobicContact CD1-CE1 4.11Å; E610-F614 PolarHBondContact O-N 3.42Å; E610-F614 VanDerWaalsContact O-N 3.14Å; L611-F614 PolarHBondContact O-N 3.3Å; F612-F614 VanDerWaalsContact C-N 3.27Å; F612-F614 PolarHBondContact O-N 2.91Å; F614-L616 VanDerWaalsContact C-N 3.33Å; F614-L616 PolarHBondContact O-N 2.9Å; F614-Q617 PolarHBondContact O-N 3.04Å; F614-A618 PolarHBondContact O-N 3.35Å |
| 615 | L | 85.1 | Confident | 84 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 176.7 | -69.4 | 173.7 | 0 | 0 | 0 | 112.4 | P577 I580 L581 L584 L611 F612 A618 | P577-L615 HydrophobicContact CB-CD2 4.03Å; P577-L615 VanDerWaalsContact O-CD2 3.29Å; P577-L615 WeakPolarHBondContact O-CD2 3.41Å; I580-L615 HydrophobicContact CB-CD2 4.32Å; I580-L615 HydrophobicContact CG2-CD1 4.4Å; I580-L615 HydrophobicContact CG2-CD2 4.36Å; L581-L615 HydrophobicContact CB-CD2 4.41Å; L581-L615 HydrophobicContact CD1-CD1 4.29Å; L584-L615 HydrophobicContact CD1-CD1 4.02Å; L611-L615 WeakPolarHBondContact O-CG 3.39Å; L611-L615 PolarHBondContact O-N 3.36Å; L611-L615 VanDerWaalsContact O-N 3.08Å; F612-L615 HydrophobicContact CD1-CD1 4.11Å; F612-L615 HydrophobicContact CE1-CD1 4.49Å; F612-L615 PolarHBondContact O-N 3.5Å; F612-L615 VanDerWaalsContact O-N 3.16Å; L615-A618 PolarHBondContact O-N 3.34Å |
| 616 | L | 83.5 | Confident | 83.8 | Confident | 51 Ų | 51 | 62.2 Ų | 62.2 | 27% | 0.267 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 176 | -70 | 172.7 | 0 | 0 | 0 | 111.8 | F612 D613 F614 A618 Q619 V625 | F612-L616 WeakPolarHBondContact O-CB 3.34Å; F612-L616 VanDerWaalsContact O-CG 3.25Å; F612-L616 WeakPolarHBondContact O-CG 3.32Å; F612-L616 PolarHBondContact O-N 2.88Å; D613-L616 PolarHBondContact O-N 3.34Å; F614-L616 VanDerWaalsContact C-N 3.33Å; F614-L616 PolarHBondContact O-N 2.9Å; L616-A618 VanDerWaalsContact C-N 3.28Å; L616-A618 PolarHBondContact O-N 3.41Å; L616-Q619 PolarHBondContact O-N 2.74Å; L616-V625 HydrophobicContact CD2-CB 4.49Å; L616-V625 HydrophobicContact CD2-CG1 3.84Å; L616-V625 HydrophobicContact CG-CG1 4.19Å |
| 617 | Q | 84.3 | Confident | 83.6 | Confident | 154 Ų | 154 | 60 Ų | 60 | 72% | 0.72 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.3 | -31.4 | 174.4 | -73.9 | 172.3 | 14.9 | 0 | 0 | 112.5 | D613 F614 Q619 | D613-Q617 VanDerWaalsContact O-CG 3.26Å; D613-Q617 WeakPolarHBondContact O-CG 3.42Å; D613-Q617 PolarHBondContact O-N 3.3Å; F614-Q617 PolarHBondContact O-N 3.04Å; Q617-Q619 PolarHBondContact O-N 3.13Å |
| 618 | A | 81.1 | Confident | 83.4 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 33% | 0.331 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -0.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P577 F614 L615 L616 L620 | P577-A618 HydrophobicContact CB-CB 3.87Å; P577-A618 HydrophobicContact CG-CB 3.78Å; F614-A618 PolarHBondContact O-N 3.35Å; L615-A618 PolarHBondContact O-N 3.34Å; L616-A618 VanDerWaalsContact C-N 3.28Å; L616-A618 PolarHBondContact O-N 3.41Å; A618-L620 PolarHBondContact O-N 2.98Å |
| 619 | Q | 73.3 | Confident | 83.3 | Confident | 172 Ų | 172 | 62.5 Ų | 62.5 | 80% | 0.804 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 24.6 | 178 | -58.7 | -178.4 | 12.5 | 0 | 0 | 115.6 | L616 Q617 | L616-Q619 PolarHBondContact O-N 2.74Å; Q617-Q619 PolarHBondContact O-N 3.13Å |
| 620 | L | 67.4 | Low | 83.2 | Confident | 41 Ų | 41 | 64.4 Ų | 64.4 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | trans | -76.7 | 156.2 | 171.8 | -69.5 | 170 | 0 | 0 | 0 | 111.2 | P577 T578 A618 Q622 | P577-L620 HydrophobicContact CB-CD1 3.6Å; P577-L620 HydrophobicContact CG-CD1 3.79Å; T578-L620 HydrophobicContact CG2-CD1 4.01Å; T578-L620 HydrophobicContact CG2-CD2 3.75Å; A618-L620 PolarHBondContact O-N 2.98Å; L620-Q622 PolarHBondContact O-N 2.69Å | ||
| 621 | D | 71 | Confident | 83.2 | Confident | 111 Ų | 111 | 66 Ų | 66 | 59% | 0.594 | 34% | 0.34 | S | S | * | . | trans | -27.7 | 86 | -174.6 | -69.9 | -29.9 | 0 | 0 | 0 | 115.5 | P623 T624 V625 | D621-P623 VanDerWaalsContact C-N 3.31Å; D621-P623 WeakPolarHBondContact O-CD 3.46Å; D621-P623 VanDerWaalsContact O-N 3.09Å; D621-T624 HydrophobicContact CB-CG2 4.16Å; D621-T624 WeakPolarHBondContact CB-OG1 3.28Å; D621-T624 PolarHBondContact O-N 2.92Å; D621-T624 PolarHBondContact O-OG1 3.49Å; D621-V625 PolarHBondContact O-N 3.08Å | ||
| 622 | Q | 74.7 | Confident | 83.2 | Confident | 94 Ų | 94 | 66 Ų | 66 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -45.1 | -40.8 | 179.1 | -66.9 | -71.4 | -20.2 | 0 | 0 | 115.3 | L620 S626 | L620-Q622 PolarHBondContact O-N 2.69Å; Q622-S626 WeakPolarHBondContact O-CB 3.43Å; Q622-S626 PolarHBondContact O-N 3.29Å |
| 623 | P | 79.8 | Confident | 82.9 | Confident | 88 Ų | 88 | 68 Ų | 68 | 57% | 0.571 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -67.1 | -39.3 | 178.3 | 25.5 | -35.1 | 0 | 0 | 0 | 113.3 | D621 S626 D627 | D621-P623 VanDerWaalsContact C-N 3.31Å; D621-P623 WeakPolarHBondContact O-CD 3.46Å; D621-P623 VanDerWaalsContact O-N 3.09Å; P623-S626 PolarHBondContact O-N 3.48Å; P623-D627 PolarHBondContact O-N 3.45Å |
| 624 | T | 83.1 | Confident | 82.4 | Confident | 60 Ų | 60 | 67.1 Ų | 67.1 | 37% | 0.368 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -70.8 | -36.7 | -178.8 | 63.3 | 0 | 0 | 0 | 0 | 110.8 | D621 D627 L628 | D621-T624 HydrophobicContact CB-CG2 4.16Å; D621-T624 WeakPolarHBondContact CB-OG1 3.28Å; D621-T624 PolarHBondContact O-N 2.92Å; D621-T624 PolarHBondContact O-OG1 3.49Å; T624-D627 PolarHBondContact O-N 3.37Å; T624-L628 WeakPolarHBondContact O-CB 3.4Å; T624-L628 WeakPolarHBondContact O-CG 3.31Å; T624-L628 PolarHBondContact O-N 2.95Å |
| 625 | V | 84.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 173.6 | 179.6 | 0 | 0 | 0 | 0 | 110.9 | L581 F612 L616 D621 D627 L628 Q629 | L581-V625 HydrophobicContact CD1-CG2 3.88Å; F612-V625 HydrophobicContact CD1-CG1 3.9Å; F612-V625 HydrophobicContact CE1-CG1 4.46Å; L616-V625 HydrophobicContact CD2-CB 4.49Å; L616-V625 HydrophobicContact CD2-CG1 3.84Å; L616-V625 HydrophobicContact CG-CG1 4.19Å; D621-V625 PolarHBondContact O-N 3.08Å; V625-D627 PolarHBondContact O-N 3.2Å; V625-L628 PolarHBondContact O-N 3.26Å; V625-Q629 WeakPolarHBondContact O-CG 3.49Å; V625-Q629 PolarHBondContact O-N 3.48Å |
| 626 | S | 84.3 | Confident | 81.9 | Confident | 47 Ų | 47 | 71.5 Ų | 71.5 | 33% | 0.329 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 178.8 | -171.9 | 0 | 0 | 0 | 0 | 112.8 | Q622 P623 Q629 K630 | Q622-S626 WeakPolarHBondContact O-CB 3.43Å; Q622-S626 PolarHBondContact O-N 3.29Å; P623-S626 PolarHBondContact O-N 3.48Å; S626-Q629 PolarHBondContact O-N 3.42Å; S626-K630 WeakPolarHBondContact O-CG 3.39Å; S626-K630 PolarHBondContact O-N 3.15Å |
| 627 | D | 86.6 | Confident | 81.9 | Confident | 87 Ų | 87 | 72.7 Ų | 72.7 | 47% | 0.465 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.1 | -35 | 176.1 | -74.5 | -18.9 | 0 | 0 | 0 | 112.2 | P623 T624 V625 K630 K631 | P623-D627 PolarHBondContact O-N 3.45Å; T624-D627 PolarHBondContact O-N 3.37Å; V625-D627 PolarHBondContact O-N 3.2Å; D627-K630 IonicContact OD1-NZ 3.35Å; D627-K631 WeakPolarHBondContact O-CG 3.44Å; D627-K631 PolarHBondContact O-N 3.1Å |
| 628 | L | 88.3 | Confident | 81.7 | Confident | 16 Ų | 16 | 67.9 Ų | 67.9 | 8% | 0.084 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.4 | -43.7 | 172.4 | -73.7 | 172.1 | 0 | 0 | 0 | 111.7 | L581 A588 F612 T624 V625 K630 K631 Y632 | L581-L628 HydrophobicContact CD1-CD1 3.74Å; A588-L628 HydrophobicContact CB-CD2 3.84Å; F612-L628 HydrophobicContact CE1-CB 4.05Å; F612-L628 HydrophobicContact CZ-CB 4.19Å; T624-L628 WeakPolarHBondContact O-CB 3.4Å; T624-L628 WeakPolarHBondContact O-CG 3.31Å; T624-L628 PolarHBondContact O-N 2.95Å; V625-L628 PolarHBondContact O-N 3.26Å; L628-K630 VanDerWaalsContact C-N 3.25Å; L628-K630 PolarHBondContact O-N 2.97Å; L628-K631 HydrophobicContact CD2-CD 4.43Å; L628-K631 WeakPolarHBondContact O-CB 3.25Å; L628-K631 PolarHBondContact O-N 3.01Å; L628-Y632 HydrophobicContact CD2-CE2 4.49Å; L628-Y632 WeakPolarHBondContact O-CD2 3.31Å; L628-Y632 PolarHBondContact O-N 3Å |
| 629 | Q | 87.8 | Confident | 81.8 | Confident | 43 Ų | 43 | 69.6 Ų | 69.6 | 20% | 0.201 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -52.3 | -45.5 | 174.9 | -77.6 | 176 | -17.2 | 0 | 0 | 111.7 | F612 V625 S626 K631 Y632 G633 V634 | F612-Q629 HydrophobicContact CB-CG 4.2Å; F612-Q629 HydrophobicContact CD1-CG 3.71Å; F612-Q629 HydrophobicContact CD2-CG 3.84Å; F612-Q629 HydrophobicContact CE1-CG 3.96Å; F612-Q629 HydrophobicContact CE2-CG 4.09Å; F612-Q629 HydrophobicContact CG-CG 3.65Å; F612-Q629 HydrophobicContact CZ-CG 4.15Å; V625-Q629 WeakPolarHBondContact O-CG 3.49Å; V625-Q629 PolarHBondContact O-N 3.48Å; S626-Q629 PolarHBondContact O-N 3.42Å; Q629-K631 PolarHBondContact O-N 3.22Å; Q629-Y632 PolarHBondContact O-N 3.47Å; Q629-G633 PolarHBondContact O-N 3.44Å; Q629-G633 VanDerWaalsContact O-N 3.08Å; Q629-V634 PolarHBondContact O-N 2.89Å |
| 630 | K | 88.6 | Confident | 82.3 | Confident | 146 Ų | 146 | 62.8 Ų | 62.8 | 64% | 0.635 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.5 | -42 | 175.3 | -69.1 | 172.1 | -169.6 | 160.8 | 0 | 112.7 | S626 D627 L628 Y632 G633 | S626-K630 WeakPolarHBondContact O-CG 3.39Å; S626-K630 PolarHBondContact O-N 3.15Å; D627-K630 IonicContact OD1-NZ 3.35Å; L628-K630 VanDerWaalsContact C-N 3.25Å; L628-K630 PolarHBondContact O-N 2.97Å; K630-Y632 VanDerWaalsContact C-N 3.34Å; K630-Y632 PolarHBondContact O-N 3.49Å; K630-G633 PolarHBondContact O-N 3.39Å |
| 631 | K | 88.9 | Confident | 83.4 | Confident | 101 Ų | 101 | 64.4 Ų | 64.4 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.9 | -35.2 | 178.8 | -73.7 | -179.8 | -178 | 179.6 | 0 | 112.8 | A588 F593 D627 L628 Q629 G633 | A588-K631 HydrophobicContact CB-CD 4.3Å; F593-K631 HydrophobicContact CE1-CB 4.26Å; D627-K631 WeakPolarHBondContact O-CG 3.44Å; D627-K631 PolarHBondContact O-N 3.1Å; L628-K631 HydrophobicContact CD2-CD 4.43Å; L628-K631 WeakPolarHBondContact O-CB 3.25Å; L628-K631 PolarHBondContact O-N 3.01Å; Q629-K631 PolarHBondContact O-N 3.22Å; K631-G633 VanDerWaalsContact C-N 3.31Å |
| 632 | Y | 88.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -82.6 | -5.1 | 176.9 | -80.7 | -90.8 | 0 | 0 | 0 | 113.5 | L584 L587 A588 F593 V597 L608 F612 L628 Q629 K630 | L584-Y632 HydrophobicContact CB-CE2 4.42Å; L584-Y632 HydrophobicContact CD2-CE1 4.49Å; L584-Y632 PolarHBondContact O-OH 3.2Å; L587-Y632 WeakPolarHBondContact CB-OH 3.3Å; A588-Y632 HydrophobicContact CB-CE2 3.99Å; F593-Y632 HydrophobicContact CE2-CD1 4.11Å; F593-Y632 AromaticContact CE2-CE1 3.49Å; F593-Y632 HydrophobicContact CE2-CE1 3.49Å; F593-Y632 VanDerWaalsContact CE2-CE1 3.49Å; F593-Y632 HydrophobicContact CE2-CE2 4.19Å; F593-Y632 AromaticContact CE2-CZ 3.52Å; F593-Y632 AromaticContact CZ-CD1 3.6Å; F593-Y632 HydrophobicContact CZ-CD1 3.6Å; F593-Y632 AromaticContact CZ-CD2 3.82Å; F593-Y632 HydrophobicContact CZ-CD2 3.82Å; F593-Y632 AromaticContact CZ-CE1 3.38Å; F593-Y632 HydrophobicContact CZ-CE1 3.38Å; F593-Y632 AromaticContact CZ-CE2 3.6Å; F593-Y632 HydrophobicContact CZ-CE2 3.6Å; F593-Y632 AromaticContact CZ-CG 3.82Å; F593-Y632 HydrophobicContact CZ-CG 3.82Å; F593-Y632 AromaticContact CZ-CZ 3.37Å; V597-Y632 VanDerWaalsContact CG1-O 3.27Å; V597-Y632 WeakPolarHBondContact CG1-O 3.29Å; V597-Y632 HydrophobicContact CG2-CD1 4.46Å; L608-Y632 HydrophobicContact CD1-CD1 3.77Å; L608-Y632 HydrophobicContact CD1-CG 4.36Å; L608-Y632 HydrophobicContact CD2-CD1 3.92Å; L608-Y632 HydrophobicContact CD2-CE1 4.22Å; L608-Y632 HydrophobicContact CD2-CG 4.49Å; F612-Y632 HydrophobicContact CE2-CD2 4.47Å; F612-Y632 HydrophobicContact CE2-CG 4.41Å; F612-Y632 HydrophobicContact CZ-CD2 4Å; F612-Y632 HydrophobicContact CZ-CG 4.39Å; L628-Y632 HydrophobicContact CD2-CE2 4.49Å; L628-Y632 WeakPolarHBondContact O-CD2 3.31Å; L628-Y632 PolarHBondContact O-N 3Å; Q629-Y632 PolarHBondContact O-N 3.47Å; K630-Y632 VanDerWaalsContact C-N 3.34Å; K630-Y632 PolarHBondContact O-N 3.49Å |
| 633 | G | 82.9 | Confident | 85.1 | Confident | 43 Ų | 43 | 58 Ų | 58 | 44% | 0.443 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 34.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q629 K630 K631 | Q629-G633 PolarHBondContact O-N 3.44Å; Q629-G633 VanDerWaalsContact O-N 3.08Å; K630-G633 PolarHBondContact O-N 3.39Å; K631-G633 VanDerWaalsContact C-N 3.31Å |
| 634 | V | 78.2 | Confident | 85.6 | Confident | 65 Ų | 65 | 55.3 Ų | 55.3 | 39% | 0.394 | 31% | 0.305 | S | S | . | . | trans | -111.3 | 0 | -176.2 | 172.7 | 0 | 0 | 0 | 0 | 112.3 | L608 K609 Q629 | L608-V634 HydrophobicContact CB-CG2 3.9Å; L608-V634 HydrophobicContact CD1-CG2 3.86Å; K609-V634 HydrophobicContact CB-CG1 4.43Å; K609-V634 HydrophobicContact CD-CG1 4.17Å; K609-V634 HydrophobicContact CG-CG1 3.28Å; Q629-V634 PolarHBondContact O-N 2.89Å |
Retrieved 634 of 634 residues in 1275 ms
(Link to these results)