| 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 | 45.9 | Very low | 53.4 | Low | 240 Ų | 240 | 129.6 Ų | 129.6 | 100% | 1.182 | 76% | 0.762 | S | S | * | * | 0 | 101.7 | 0 | -88.2 | 174.6 | 178.8 | 0 | 0 | 107.6 | |||||
| 2 | V | 44.1 | Very low | 54.2 | Low | 138 Ų | 138 | 130.7 Ų | 130.7 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | trans | -86.6 | 112.3 | 172.7 | 169.9 | 0 | 0 | 0 | 0 | 106.2 | S4 | V2-S4 PolarHBondContact O-N 3.14Å; V2-S4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | V | 49.1 | Very low | 54.9 | Low | 136 Ų | 136 | 124.8 Ų | 124.8 | 82% | 0.824 | 73% | 0.728 | S | S | * | * | trans | -75.7 | 96.2 | 170.9 | 177.2 | 0 | 0 | 0 | 0 | 106 | A5 | V3-A5 PolarHBondContact O-N 3.07Š| ||
| 4 | S | 47.9 | Very low | 55.4 | Low | 107 Ų | 107 | 124 Ų | 124 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | trans | -66.2 | 105.3 | 166.8 | -83.3 | 0 | 0 | 0 | 0 | 108 | V2 G6 | V2-S4 PolarHBondContact O-N 3.14Å; V2-S4 VanDerWaalsContact O-N 3.14Å; S4-G6 PolarHBondContact O-N 3.16Å; S4-G6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | A | 57.2 | Low | 56.2 | Low | 95 Ų | 95 | 125 Ų | 125 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | trans | -61.9 | 111 | 158.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | V3 | V3-A5 PolarHBondContact O-N 3.07Š| ||
| 6 | G | 56 | Low | 57.2 | Low | 57 Ų | 57 | 122.7 Ų | 122.7 | 59% | 0.588 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 155.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | S4 W8 | S4-G6 PolarHBondContact O-N 3.16Å; S4-G6 VanDerWaalsContact O-N 3.16Å; G6-W8 PolarHBondContact O-N 3.12Å; G6-W8 VanDerWaalsContact O-N 3.12Å |
| 7 | P | 51.8 | Low | 58.3 | Low | 130 Ų | 130 | 121.5 Ų | 121.5 | 84% | 0.844 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 120.9 | -179.3 | -4.2 | 17.1 | 0 | 0 | 0 | 108.4 | S9 | P7-S9 PolarHBondContact O-N 3.32Å; P7-S9 VanDerWaalsContact O-N 3.15Å |
| 8 | W | 55.3 | Low | 59.5 | Low | 229 Ų | 229 | 121.7 Ų | 121.7 | 87% | 0.867 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 118.6 | 166.3 | -137.1 | -61.5 | 0 | 0 | 0 | 106.3 | G6 S10 | G6-W8 PolarHBondContact O-N 3.12Å; G6-W8 VanDerWaalsContact O-N 3.12Å; W8-S10 PolarHBondContact O-N 3.15Å |
| 9 | S | 59.7 | Low | 60.4 | Low | 64 Ų | 64 | 121.8 Ų | 121.8 | 45% | 0.448 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 129.9 | -171.3 | 67.4 | 0 | 0 | 0 | 0 | 110.8 | P7 E11 K12 | P7-S9 PolarHBondContact O-N 3.32Å; P7-S9 VanDerWaalsContact O-N 3.15Å; S9-E11 PolarHBondContact O-N 3.3Å; S9-K12 PolarHBondContact O-N 3.09Å; S9-K12 VanDerWaalsContact O-N 3.12Å; S9-K12 WeakPolarHBondContact OG-CB 3.41Å |
| 10 | S | 60.7 | Low | 61.4 | Low | 81 Ų | 81 | 119.7 Ų | 119.7 | 57% | 0.566 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -56.9 | -35.9 | 178.2 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | W8 K12 A13 E14 | W8-S10 PolarHBondContact O-N 3.15Å; S10-K12 VanDerWaalsContact C-N 3.3Å; S10-K12 PolarHBondContact O-N 3.25Å; S10-A13 PolarHBondContact O-N 3.34Å; S10-A13 VanDerWaalsContact O-N 3.09Å; S10-E14 WeakPolarHBondContact O-CB 3.45Å; S10-E14 WeakPolarHBondContact O-CG 3.14Å; S10-E14 PolarHBondContact O-N 3.41Å |
| 11 | E | 59.5 | Low | 62.5 | Low | 149 Ų | 149 | 117.4 Ų | 117.4 | 70% | 0.696 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -59.8 | -34.9 | 178.5 | -164.5 | 165.3 | -165.1 | 0 | 0 | 113 | S9 M15 | S9-E11 PolarHBondContact O-N 3.3Å; E11-M15 VanDerWaalsContact O-CB 3.26Å; E11-M15 WeakPolarHBondContact O-CB 3.49Å; E11-M15 PolarHBondContact O-N 3.12Å |
| 12 | K | 63 | Low | 64.4 | Low | 142 Ų | 142 | 113.3 Ų | 113.3 | 62% | 0.617 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -74.5 | -30.7 | 176.7 | -170.7 | 173.1 | -176.7 | 174.7 | 0 | 112.5 | S9 S10 N16 | S9-K12 PolarHBondContact O-N 3.09Å; S9-K12 VanDerWaalsContact O-N 3.12Å; S9-K12 WeakPolarHBondContact OG-CB 3.41Å; S10-K12 VanDerWaalsContact C-N 3.3Å; S10-K12 PolarHBondContact O-N 3.25Å; K12-N16 PolarHBondContact O-N 2.85Å |
| 13 | A | 63.8 | Low | 66.5 | Low | 55 Ų | 55 | 110.3 Ų | 110.3 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -76.9 | -38.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S10 N16 I17 | S10-A13 PolarHBondContact O-N 3.34Å; S10-A13 VanDerWaalsContact O-N 3.09Å; A13-N16 WeakPolarHBondContact O-CB 3.34Å; A13-N16 PolarHBondContact O-N 2.94Å; A13-I17 WeakPolarHBondContact O-CG1 3.31Å; A13-I17 PolarHBondContact O-N 3.07Å |
| 14 | E | 61.7 | Low | 68.3 | Low | 113 Ų | 113 | 108.2 Ų | 108.2 | 53% | 0.528 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67 | -41.8 | 175.4 | -74.9 | 170.7 | -164.3 | 0 | 0 | 112.2 | S10 N16 I17 L18 | S10-E14 WeakPolarHBondContact O-CB 3.45Å; S10-E14 WeakPolarHBondContact O-CG 3.14Å; S10-E14 PolarHBondContact O-N 3.41Å; E14-N16 PolarHBondContact O-N 3.18Å; E14-I17 PolarHBondContact O-N 2.98Å; E14-L18 PolarHBondContact O-N 3.31Å |
| 15 | M | 66.7 | Low | 70.4 | Confident | 139 Ų | 139 | 112 Ų | 112 | 69% | 0.685 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -57.7 | -39.6 | 172.9 | -161.7 | 95.3 | 143.3 | 0 | 0 | 111.3 | E11 L18 E19 | E11-M15 VanDerWaalsContact O-CB 3.26Å; E11-M15 WeakPolarHBondContact O-CB 3.49Å; E11-M15 PolarHBondContact O-N 3.12Å; M15-L18 PolarHBondContact O-N 3.05Å; M15-E19 WeakPolarHBondContact O-CB 3.1Å; M15-E19 PolarHBondContact O-N 3.5Å |
| 16 | N | 72.4 | Confident | 72 | Confident | 88 Ų | 88 | 111.2 Ų | 111.2 | 47% | 0.471 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.5 | -38.6 | 178.2 | -160.7 | -86.8 | 0 | 0 | 0 | 112 | K12 A13 E14 I20 | K12-N16 PolarHBondContact O-N 2.85Å; A13-N16 WeakPolarHBondContact O-CB 3.34Å; A13-N16 PolarHBondContact O-N 2.94Å; E14-N16 PolarHBondContact O-N 3.18Å; N16-I20 VanDerWaalsContact O-CB 3.31Å; N16-I20 WeakPolarHBondContact O-CB 3.31Å; N16-I20 VanDerWaalsContact O-CD1 3.31Å; N16-I20 WeakPolarHBondContact O-CD1 3.41Å; N16-I20 WeakPolarHBondContact O-CG1 3.36Å; N16-I20 PolarHBondContact O-N 3Å; N16-I20 WeakPolarHBondContact OD1-CD1 3.26Å |
| 17 | I | 76.4 | Confident | 73.8 | Confident | 103 Ų | 103 | 113.5 Ų | 113.5 | 53% | 0.528 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.5 | -39.6 | 176.6 | -67.8 | 166.6 | 0 | 0 | 0 | 111.6 | A13 E14 N21 | A13-I17 WeakPolarHBondContact O-CG1 3.31Å; A13-I17 PolarHBondContact O-N 3.07Å; E14-I17 PolarHBondContact O-N 2.98Å; I17-N21 WeakPolarHBondContact O-CB 3.26Å; I17-N21 PolarHBondContact O-N 3.24Å |
| 18 | L | 79.4 | Confident | 75.8 | Confident | 125 Ų | 125 | 112.1 Ų | 112.1 | 65% | 0.654 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.5 | -47.3 | 176.9 | -96.7 | 151.4 | 0 | 0 | 0 | 111.9 | E14 M15 I20 N21 E22 | E14-L18 PolarHBondContact O-N 3.31Å; M15-L18 PolarHBondContact O-N 3.05Å; L18-I20 VanDerWaalsContact C-N 3.34Å; L18-I20 PolarHBondContact O-N 3.06Å; L18-N21 WeakPolarHBondContact O-CB 3.37Å; L18-N21 PolarHBondContact O-N 3.36Å; L18-N21 VanDerWaalsContact O-N 3.1Å; L18-E22 WeakPolarHBondContact O-CB 3.46Å; L18-E22 PolarHBondContact O-N 3.42Å |
| 19 | E | 76 | Confident | 77.6 | Confident | 123 Ų | 123 | 104 Ų | 104 | 58% | 0.575 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.5 | -38.5 | 177.9 | -170.4 | 176 | -158.7 | 0 | 0 | 112 | M15 E22 T23 | M15-E19 WeakPolarHBondContact O-CB 3.1Å; M15-E19 PolarHBondContact O-N 3.5Å; E19-E22 PolarHBondContact O-N 3.33Å; E19-T23 PolarHBondContact O-N 3.03Å; E19-T23 PolarHBondContact O-OG1 3.43Å; E19-T23 VanDerWaalsContact O-OG1 3.06Å |
| 20 | I | 80.8 | Confident | 79.3 | Confident | 80 Ų | 80 | 106.2 Ų | 106.2 | 41% | 0.41 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 171.9 | -70.9 | 168.4 | 0 | 0 | 0 | 111.2 | N16 L18 T23 L24 | N16-I20 VanDerWaalsContact O-CB 3.31Å; N16-I20 WeakPolarHBondContact O-CB 3.31Å; N16-I20 VanDerWaalsContact O-CD1 3.31Å; N16-I20 WeakPolarHBondContact O-CD1 3.41Å; N16-I20 WeakPolarHBondContact O-CG1 3.36Å; N16-I20 PolarHBondContact O-N 3Å; N16-I20 WeakPolarHBondContact OD1-CD1 3.26Å; L18-I20 VanDerWaalsContact C-N 3.34Å; L18-I20 PolarHBondContact O-N 3.06Å; I20-T23 PolarHBondContact O-N 3.46Å; I20-T23 PolarHBondContact O-OG1 2.99Å; I20-L24 HydrophobicContact CG2-CD1 3.5Å; I20-L24 VanDerWaalsContact CG2-CD1 3.5Å; I20-L24 HydrophobicContact CG2-CG 4.13Å; I20-L24 WeakPolarHBondContact O-CB 3.44Å; I20-L24 VanDerWaalsContact O-CG 3.26Å; I20-L24 WeakPolarHBondContact O-CG 3.38Å; I20-L24 PolarHBondContact O-N 2.9Å |
| 21 | N | 84.7 | Confident | 81 | Confident | 72 Ų | 72 | 108.9 Ų | 108.9 | 39% | 0.385 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.3 | -39.6 | 177.4 | -114.9 | -64.7 | 0 | 0 | 0 | 112.6 | I17 L18 T23 L24 R25 | I17-N21 WeakPolarHBondContact O-CB 3.26Å; I17-N21 PolarHBondContact O-N 3.24Å; L18-N21 WeakPolarHBondContact O-CB 3.37Å; L18-N21 PolarHBondContact O-N 3.36Å; L18-N21 VanDerWaalsContact O-N 3.1Å; N21-T23 PolarHBondContact O-N 3.48Å; N21-L24 PolarHBondContact O-N 3.1Å; N21-R25 WeakPolarHBondContact O-CG 3.07Å; N21-R25 PolarHBondContact O-N 2.96Å |
| 22 | E | 86.1 | Confident | 82.7 | Confident | 153 Ų | 153 | 107.3 Ų | 107.3 | 72% | 0.715 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.1 | -31.1 | 178.9 | -161 | 173.4 | -165.7 | 0 | 0 | 111.7 | L18 E19 P26 | L18-E22 WeakPolarHBondContact O-CB 3.46Å; L18-E22 PolarHBondContact O-N 3.42Å; E19-E22 PolarHBondContact O-N 3.33Å; E22-P26 WeakPolarHBondContact O-CD 3.49Å; E22-P26 WeakPolarHBondContact O-CG 3.32Å |
| 23 | T | 87.3 | Confident | 84.3 | Confident | 75 Ų | 75 | 104.3 Ų | 104.3 | 46% | 0.46 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -88.7 | -31.9 | 177.5 | 52.8 | 0 | 0 | 0 | 0 | 114.1 | E19 I20 N21 Q27 | E19-T23 PolarHBondContact O-N 3.03Å; E19-T23 PolarHBondContact O-OG1 3.43Å; E19-T23 VanDerWaalsContact O-OG1 3.06Å; I20-T23 PolarHBondContact O-N 3.46Å; I20-T23 PolarHBondContact O-OG1 2.99Å; N21-T23 PolarHBondContact O-N 3.48Å; T23-Q27 WeakPolarHBondContact O-CG 3.26Å; T23-Q27 PolarHBondContact O-NE2 3.42Å |
| 24 | L | 88.5 | Confident | 85.8 | Confident | 92 Ų | 92 | 106.4 Ų | 106.4 | 48% | 0.482 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -77.6 | -35.9 | -178.8 | -74.7 | 174.6 | 0 | 0 | 0 | 114 | I20 N21 Q27 L28 | I20-L24 HydrophobicContact CG2-CD1 3.5Å; I20-L24 VanDerWaalsContact CG2-CD1 3.5Å; I20-L24 HydrophobicContact CG2-CG 4.13Å; I20-L24 WeakPolarHBondContact O-CB 3.44Å; I20-L24 VanDerWaalsContact O-CG 3.26Å; I20-L24 WeakPolarHBondContact O-CG 3.38Å; I20-L24 PolarHBondContact O-N 2.9Å; N21-L24 PolarHBondContact O-N 3.1Å; L24-Q27 PolarHBondContact O-N 3.45Å; L24-L28 PolarHBondContact O-N 3.31Å |
| 25 | R | 90.9 | Very high | 87.4 | Confident | 187 Ų | 187 | 107.6 Ų | 107.6 | 71% | 0.706 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.6 | -46.6 | -178.8 | -75.5 | -173.9 | 179.6 | -156.8 | -0.1 | 113.3 | N21 Q27 L28 A29 | N21-R25 WeakPolarHBondContact O-CG 3.07Å; N21-R25 PolarHBondContact O-N 2.96Å; R25-Q27 VanDerWaalsContact C-N 3.35Å; R25-Q27 PolarHBondContact O-N 3.36Å; R25-L28 PolarHBondContact O-N 3.49Å; R25-A29 PolarHBondContact O-N 3.41Å |
| 26 | P | 91.8 | Very high | 88.9 | Confident | 78 Ų | 78 | 106.7 Ų | 106.7 | 51% | 0.506 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 174.6 | -22.3 | 33.8 | 0 | 0 | 0 | 112.3 | E22 L28 A29 E30 | E22-P26 WeakPolarHBondContact O-CD 3.49Å; E22-P26 WeakPolarHBondContact O-CG 3.32Å; P26-L28 PolarHBondContact O-N 3.18Å; P26-A29 PolarHBondContact O-N 2.83Å; P26-E30 WeakPolarHBondContact O-CB 3.42Å; P26-E30 PolarHBondContact O-N 3.43Å |
| 27 | Q | 92.8 | Very high | 90 | Very high | 106 Ų | 106 | 105.4 Ų | 105.4 | 50% | 0.495 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 177.6 | -71.7 | -176.4 | 46.1 | 0 | 0 | 112.2 | T23 L24 R25 E30 K31 | T23-Q27 WeakPolarHBondContact O-CG 3.26Å; T23-Q27 PolarHBondContact O-NE2 3.42Å; L24-Q27 PolarHBondContact O-N 3.45Å; R25-Q27 VanDerWaalsContact C-N 3.35Å; R25-Q27 PolarHBondContact O-N 3.36Å; Q27-E30 PolarHBondContact O-N 2.93Å; Q27-K31 WeakPolarHBondContact O-CB 3.28Å; Q27-K31 VanDerWaalsContact O-CG 3.26Å; Q27-K31 WeakPolarHBondContact O-CG 3.41Å; Q27-K31 PolarHBondContact O-N 2.92Å |
| 28 | L | 93.8 | Very high | 90.9 | Very high | 101 Ų | 101 | 106.1 Ų | 106.1 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 175.2 | -179.7 | 62.9 | 0 | 0 | 0 | 111.5 | L24 R25 P26 E30 K31 K32 | L24-L28 PolarHBondContact O-N 3.31Å; R25-L28 PolarHBondContact O-N 3.49Å; P26-L28 PolarHBondContact O-N 3.18Å; L28-E30 VanDerWaalsContact C-N 3.34Å; L28-K31 PolarHBondContact O-N 3.39Å; L28-K32 HydrophobicContact CG-CD 4.46Å; L28-K32 WeakPolarHBondContact O-CB 3.48Å; L28-K32 WeakPolarHBondContact O-CG 3.5Å; L28-K32 PolarHBondContact O-N 2.84Å |
| 29 | A | 93.9 | Very high | 91.7 | Very high | 58 Ų | 58 | 105.1 Ų | 105.1 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R25 P26 K32 Q33 | R25-A29 PolarHBondContact O-N 3.41Å; P26-A29 PolarHBondContact O-N 2.83Å; A29-K32 PolarHBondContact O-N 3.35Å; A29-Q33 PolarHBondContact O-N 2.85Å |
| 30 | E | 95.8 | Very high | 92.7 | Very high | 111 Ų | 111 | 104.6 Ų | 104.6 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -48 | 175.4 | -172.2 | -179.1 | -179.3 | 0 | 0 | 111.4 | P26 Q27 L28 K32 Q33 Q34 | P26-E30 WeakPolarHBondContact O-CB 3.42Å; P26-E30 PolarHBondContact O-N 3.43Å; Q27-E30 PolarHBondContact O-N 2.93Å; L28-E30 VanDerWaalsContact C-N 3.34Å; E30-K32 PolarHBondContact O-N 3.17Å; E30-Q33 PolarHBondContact O-N 2.97Å; E30-Q33 VanDerWaalsContact O-N 3.17Å; E30-Q34 WeakPolarHBondContact O-CG 3.45Å; E30-Q34 PolarHBondContact O-N 3.24Å |
| 31 | K | 95.1 | Very high | 93.4 | Very high | 137 Ų | 137 | 107.1 Ų | 107.1 | 60% | 0.596 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.8 | -38.6 | 178 | -68.3 | -69.9 | 169.9 | 123.5 | 0 | 112.5 | Q27 L28 Q33 Q34 F35 | Q27-K31 WeakPolarHBondContact O-CB 3.28Å; Q27-K31 VanDerWaalsContact O-CG 3.26Å; Q27-K31 WeakPolarHBondContact O-CG 3.41Å; Q27-K31 PolarHBondContact O-N 2.92Å; L28-K31 PolarHBondContact O-N 3.39Å; K31-Q33 VanDerWaalsContact C-N 3.34Å; K31-Q34 PolarHBondContact O-N 3.05Å; K31-F35 WeakPolarHBondContact O-CB 3.43Å; K31-F35 PolarHBondContact O-N 3.35Å |
| 32 | K | 95.8 | Very high | 94 | Very high | 115 Ų | 115 | 106.8 Ų | 106.8 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 172.7 | -77.5 | -179.7 | 176.5 | -175.6 | 0 | 111.4 | L28 A29 E30 F35 R36 | L28-K32 HydrophobicContact CG-CD 4.46Å; L28-K32 WeakPolarHBondContact O-CB 3.48Å; L28-K32 WeakPolarHBondContact O-CG 3.5Å; L28-K32 PolarHBondContact O-N 2.84Å; A29-K32 PolarHBondContact O-N 3.35Å; E30-K32 PolarHBondContact O-N 3.17Å; K32-F35 PolarHBondContact O-N 3.35Å; K32-R36 WeakPolarHBondContact O-CG 3.37Å; K32-R36 PolarHBondContact O-N 2.94Å |
| 33 | Q | 96.1 | Very high | 94.5 | Very high | 79 Ų | 79 | 104.4 Ų | 104.4 | 37% | 0.369 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 176.4 | -173 | 61.8 | 37 | 0 | 0 | 111.8 | A29 E30 K31 F35 R36 N37 | A29-Q33 PolarHBondContact O-N 2.85Å; E30-Q33 PolarHBondContact O-N 2.97Å; E30-Q33 VanDerWaalsContact O-N 3.17Å; K31-Q33 VanDerWaalsContact C-N 3.34Å; Q33-F35 VanDerWaalsContact C-N 3.31Å; Q33-F35 PolarHBondContact O-N 3.39Å; Q33-R36 PolarHBondContact O-N 2.93Å; Q33-N37 PolarHBondContact NE2-OD1 3.44Å; Q33-N37 WeakPolarHBondContact O-CB 3.42Å; Q33-N37 VanDerWaalsContact O-CG 3.25Å; Q33-N37 PolarHBondContact O-N 3.41Å; Q33-N37 PolarHBondContact O-OD1 3.25Å |
| 34 | Q | 96.3 | Very high | 94.9 | Very high | 99 Ų | 99 | 106.3 Ų | 106.3 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 176 | -72.3 | -167.8 | -1 | 0 | 0 | 111.9 | E30 K31 N37 L38 | E30-Q34 WeakPolarHBondContact O-CG 3.45Å; E30-Q34 PolarHBondContact O-N 3.24Å; K31-Q34 PolarHBondContact O-N 3.05Å; Q34-N37 PolarHBondContact O-N 2.89Å; Q34-L38 VanDerWaalsContact O-CB 3.28Å; Q34-L38 WeakPolarHBondContact O-CB 3.34Å; Q34-L38 PolarHBondContact O-N 3.42Å |
| 35 | F | 95.8 | Very high | 95.4 | Very high | 139 Ų | 139 | 106.8 Ų | 106.8 | 61% | 0.61 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.7 | -45.3 | 174.4 | -177.5 | -99.5 | 0 | 0 | 0 | 111.7 | K31 K32 Q33 L38 K39 | K31-F35 WeakPolarHBondContact O-CB 3.43Å; K31-F35 PolarHBondContact O-N 3.35Å; K32-F35 PolarHBondContact O-N 3.35Å; Q33-F35 VanDerWaalsContact C-N 3.31Å; Q33-F35 PolarHBondContact O-N 3.39Å; F35-L38 PolarHBondContact O-N 2.86Å; F35-K39 WeakPolarHBondContact O-CB 3.37Å; F35-K39 PolarHBondContact O-N 3.37Å |
| 36 | R | 96.3 | Very high | 95.6 | Very high | 119 Ų | 119 | 103.7 Ų | 103.7 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.6 | -50.1 | 173.5 | -73.8 | -170.8 | -69.3 | -97.1 | 5.1 | 111.8 | K32 Q33 L38 K39 E40 | K32-R36 WeakPolarHBondContact O-CG 3.37Å; K32-R36 PolarHBondContact O-N 2.94Å; Q33-R36 PolarHBondContact O-N 2.93Å; R36-L38 VanDerWaalsContact C-N 3.31Å; R36-L38 PolarHBondContact O-N 3.36Å; R36-K39 WeakPolarHBondContact O-CB 3.4Å; R36-K39 PolarHBondContact O-N 3.07Å; R36-E40 WeakPolarHBondContact O-CG 3.23Å; R36-E40 PolarHBondContact O-N 2.85Å |
| 37 | N | 96.3 | Very high | 95.9 | Very high | 62 Ų | 62 | 104.7 Ų | 104.7 | 33% | 0.332 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 178.6 | -72 | -2.1 | 0 | 0 | 0 | 112 | Q33 Q34 K41 | Q33-N37 PolarHBondContact NE2-OD1 3.44Å; Q33-N37 WeakPolarHBondContact O-CB 3.42Å; Q33-N37 VanDerWaalsContact O-CG 3.25Å; Q33-N37 PolarHBondContact O-N 3.41Å; Q33-N37 PolarHBondContact O-OD1 3.25Å; Q34-N37 PolarHBondContact O-N 2.89Å; N37-K41 WeakPolarHBondContact O-CB 3.47Å; N37-K41 VanDerWaalsContact O-CG 3.23Å; N37-K41 WeakPolarHBondContact O-CG 3.33Å; N37-K41 PolarHBondContact O-N 2.85Å |
| 38 | L | 96.5 | Very high | 96.1 | Very high | 118 Ų | 118 | 102.4 Ų | 102.4 | 62% | 0.618 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.7 | -39.6 | 178.5 | -173.7 | 64 | 0 | 0 | 0 | 111.3 | Q34 F35 R36 K41 C42 | Q34-L38 VanDerWaalsContact O-CB 3.28Å; Q34-L38 WeakPolarHBondContact O-CB 3.34Å; Q34-L38 PolarHBondContact O-N 3.42Å; F35-L38 PolarHBondContact O-N 2.86Å; R36-L38 VanDerWaalsContact C-N 3.31Å; R36-L38 PolarHBondContact O-N 3.36Å; L38-K41 PolarHBondContact O-N 3.27Å; L38-C42 WeakPolarHBondContact O-CB 3.48Å; L38-C42 PolarHBondContact O-N 2.92Å |
| 39 | K | 96.4 | Very high | 96.2 | Very high | 103 Ų | 103 | 99.1 Ų | 99.1 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 174.9 | -176.1 | 174.7 | 180 | -180 | 0 | 111 | F35 R36 C42 F43 | F35-K39 WeakPolarHBondContact O-CB 3.37Å; F35-K39 PolarHBondContact O-N 3.37Å; R36-K39 WeakPolarHBondContact O-CB 3.4Å; R36-K39 PolarHBondContact O-N 3.07Å; K39-C42 WeakPolarHBondContact O-CB 3.49Å; K39-C42 PolarHBondContact O-N 2.91Å; K39-F43 HydrophobicContact CD-CE2 4.2Å; K39-F43 HydrophobicContact CG-CD2 4.03Å; K39-F43 HydrophobicContact CG-CE2 3.54Å; K39-F43 HydrophobicContact CG-CZ 4.46Å; K39-F43 WeakPolarHBondContact O-CD2 3.13Å; K39-F43 PolarHBondContact O-N 3.19Å |
| 40 | E | 95.7 | Very high | 96.3 | Very high | 113 Ų | 113 | 102 Ų | 102 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 174.3 | -73.7 | 171.4 | -164.9 | 0 | 0 | 112.1 | R36 C42 F43 L44 | R36-E40 WeakPolarHBondContact O-CG 3.23Å; R36-E40 PolarHBondContact O-N 2.85Å; E40-C42 VanDerWaalsContact C-N 3.29Å; E40-C42 PolarHBondContact O-N 3.03Å; E40-F43 PolarHBondContact O-N 2.73Å; E40-L44 WeakPolarHBondContact O-CB 3.38Å; E40-L44 WeakPolarHBondContact O-CG 3.38Å; E40-L44 PolarHBondContact O-N 3.44Å |
| 41 | K | 96.5 | Very high | 96.4 | Very high | 133 Ų | 133 | 101.6 Ų | 101.6 | 58% | 0.578 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.8 | -39.1 | 175.8 | -77.4 | 175.9 | -179.2 | -177.3 | 0 | 112.4 | N37 L38 T45 | N37-K41 WeakPolarHBondContact O-CB 3.47Å; N37-K41 VanDerWaalsContact O-CG 3.23Å; N37-K41 WeakPolarHBondContact O-CG 3.33Å; N37-K41 PolarHBondContact O-N 2.85Å; L38-K41 PolarHBondContact O-N 3.27Å; K41-T45 WeakPolarHBondContact O-CB 3.42Å; K41-T45 PolarHBondContact O-N 2.99Å; K41-T45 PolarHBondContact O-OG1 3.24Å |
| 42 | C | 96.4 | Very high | 96.4 | Very high | 64 Ų | 64 | 96.9 Ų | 96.9 | 43% | 0.432 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.3 | -49.5 | 176.2 | -172.4 | 0 | 0 | 0 | 0 | 110.7 | L38 K39 E40 T45 Q46 | L38-C42 WeakPolarHBondContact O-CB 3.48Å; L38-C42 PolarHBondContact O-N 2.92Å; K39-C42 WeakPolarHBondContact O-CB 3.49Å; K39-C42 PolarHBondContact O-N 2.91Å; E40-C42 VanDerWaalsContact C-N 3.29Å; E40-C42 PolarHBondContact O-N 3.03Å; C42-T45 PolarHBondContact O-N 2.87Å; C42-Q46 WeakPolarHBondContact O-CG 3.34Å; C42-Q46 PolarHBondContact O-N 2.98Å |
| 43 | F | 96.5 | Very high | 96.3 | Very high | 104 Ų | 104 | 96.4 Ų | 96.4 | 46% | 0.456 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 177.7 | -71.9 | -56.6 | 0 | 0 | 0 | 113.1 | K39 E40 T45 Q46 L47 | K39-F43 HydrophobicContact CD-CE2 4.2Å; K39-F43 HydrophobicContact CG-CD2 4.03Å; K39-F43 HydrophobicContact CG-CE2 3.54Å; K39-F43 HydrophobicContact CG-CZ 4.46Å; K39-F43 WeakPolarHBondContact O-CD2 3.13Å; K39-F43 PolarHBondContact O-N 3.19Å; E40-F43 PolarHBondContact O-N 2.73Å; F43-T45 VanDerWaalsContact C-N 3.26Å; F43-T45 PolarHBondContact O-N 3.5Å; F43-Q46 PolarHBondContact O-N 3.44Å; F43-L47 WeakPolarHBondContact O-CB 3.47Å; F43-L47 PolarHBondContact O-N 2.99Å |
| 44 | L | 96.9 | Very high | 96.1 | Very high | 115 Ų | 115 | 95.8 Ų | 95.8 | 60% | 0.602 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.8 | -39.2 | 177 | -73.1 | 171.1 | 0 | 0 | 0 | 111.6 | E40 A48 | E40-L44 WeakPolarHBondContact O-CB 3.38Å; E40-L44 WeakPolarHBondContact O-CG 3.38Å; E40-L44 PolarHBondContact O-N 3.44Å; L44-A48 VanDerWaalsContact O-CB 3.27Å; L44-A48 WeakPolarHBondContact O-CB 3.28Å; L44-A48 PolarHBondContact O-N 3.2Å |
| 45 | T | 97 | Very high | 95.9 | Very high | 102 Ų | 102 | 96.6 Ų | 96.6 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68 | -43.6 | 177.3 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | K41 C42 F43 A48 G49 | K41-T45 WeakPolarHBondContact O-CB 3.42Å; K41-T45 PolarHBondContact O-N 2.99Å; K41-T45 PolarHBondContact O-OG1 3.24Å; C42-T45 PolarHBondContact O-N 2.87Å; F43-T45 VanDerWaalsContact C-N 3.26Å; F43-T45 PolarHBondContact O-N 3.5Å; T45-A48 PolarHBondContact O-N 2.94Å; T45-G49 PolarHBondContact O-N 2.94Å |
| 46 | Q | 96.6 | Very high | 95.8 | Very high | 121 Ų | 121 | 96.8 Ų | 96.8 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62 | -46.1 | 176.1 | -73 | 177.3 | -1.3 | 0 | 0 | 111.7 | C42 F43 A48 G49 F50 | C42-Q46 WeakPolarHBondContact O-CG 3.34Å; C42-Q46 PolarHBondContact O-N 2.98Å; F43-Q46 PolarHBondContact O-N 3.44Å; Q46-A48 PolarHBondContact O-N 3.35Å; Q46-G49 PolarHBondContact O-N 2.88Å; Q46-F50 PolarHBondContact O-N 3.28Å |
| 47 | L | 96.7 | Very high | 95.7 | Very high | 100 Ų | 100 | 97.9 Ų | 97.9 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 178.1 | -174.5 | 65.9 | 0 | 0 | 0 | 111.6 | F43 G49 F50 L51 | F43-L47 WeakPolarHBondContact O-CB 3.47Å; F43-L47 PolarHBondContact O-N 2.99Å; L47-G49 VanDerWaalsContact C-N 3.31Å; L47-G49 PolarHBondContact O-N 3.23Å; L47-F50 PolarHBondContact O-N 3.17Å; L47-L51 HydrophobicContact CG-CD1 4.1Å; L47-L51 WeakPolarHBondContact O-CB 3.27Å; L47-L51 WeakPolarHBondContact O-CG 3.31Å; L47-L51 PolarHBondContact O-N 3.43Å |
| 48 | A | 97.2 | Very high | 95.3 | Very high | 57 Ų | 57 | 103.3 Ų | 103.3 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L44 T45 Q46 A52 | L44-A48 VanDerWaalsContact O-CB 3.27Å; L44-A48 WeakPolarHBondContact O-CB 3.28Å; L44-A48 PolarHBondContact O-N 3.2Å; T45-A48 PolarHBondContact O-N 2.94Å; Q46-A48 PolarHBondContact O-N 3.35Å; A48-A52 VanDerWaalsContact O-CB 3.28Å; A48-A52 WeakPolarHBondContact O-CB 3.49Å; A48-A52 PolarHBondContact O-N 3.08Å |
| 49 | G | 96.9 | Very high | 95 | Very high | 33 Ų | 33 | 103.2 Ų | 103.2 | 34% | 0.34 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T45 Q46 L47 A52 N53 | T45-G49 PolarHBondContact O-N 2.94Å; Q46-G49 PolarHBondContact O-N 2.88Å; L47-G49 VanDerWaalsContact C-N 3.31Å; L47-G49 PolarHBondContact O-N 3.23Å; G49-A52 PolarHBondContact O-N 3.08Å; G49-N53 PolarHBondContact O-N 3.44Å; G49-N53 VanDerWaalsContact O-N 3.08Å; G49-N53 PolarHBondContact O-ND2 3.49Å |
| 50 | F | 96.3 | Very high | 94.8 | Very high | 119 Ų | 119 | 106 Ų | 106 | 52% | 0.522 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.7 | -50.2 | 176.1 | 175.2 | -97.2 | 0 | 0 | 0 | 111.9 | Q46 L47 A52 N53 Q54 | Q46-F50 PolarHBondContact O-N 3.28Å; L47-F50 PolarHBondContact O-N 3.17Å; F50-A52 PolarHBondContact O-N 3.47Å; F50-N53 PolarHBondContact O-N 2.94Å; F50-Q54 HydrophobicContact CD1-CG 4.29Å; F50-Q54 HydrophobicContact CE1-CG 3.86Å; F50-Q54 HydrophobicContact CE2-CG 4.26Å; F50-Q54 HydrophobicContact CZ-CG 3.86Å; F50-Q54 VanDerWaalsContact CZ-NE2 3.34Å; F50-Q54 WeakPolarHBondContact O-CG 3.35Å; F50-Q54 PolarHBondContact O-N 2.98Å |
| 51 | L | 96.4 | Very high | 94.6 | Very high | 101 Ų | 101 | 104.1 Ų | 104.1 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 179.6 | -70.7 | 171.5 | 0 | 0 | 0 | 112.1 | L47 N53 Q54 Q55 | L47-L51 HydrophobicContact CG-CD1 4.1Å; L47-L51 WeakPolarHBondContact O-CB 3.27Å; L47-L51 WeakPolarHBondContact O-CG 3.31Å; L47-L51 PolarHBondContact O-N 3.43Å; L51-N53 VanDerWaalsContact C-N 3.31Å; L51-N53 PolarHBondContact O-N 3.29Å; L51-Q54 PolarHBondContact O-N 3.2Å; L51-Q55 WeakPolarHBondContact O-CB 3.33Å; L51-Q55 PolarHBondContact O-N 2.98Å |
| 52 | A | 95.6 | Very high | 94.3 | Very high | 39 Ų | 39 | 104.7 Ų | 104.7 | 32% | 0.322 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.9 | -39.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A48 G49 F50 K56 | A48-A52 VanDerWaalsContact O-CB 3.28Å; A48-A52 WeakPolarHBondContact O-CB 3.49Å; A48-A52 PolarHBondContact O-N 3.08Å; G49-A52 PolarHBondContact O-N 3.08Å; F50-A52 PolarHBondContact O-N 3.47Å; A52-K56 VanDerWaalsContact O-CG 3.31Å; A52-K56 WeakPolarHBondContact O-CG 3.48Å; A52-K56 PolarHBondContact O-N 2.95Å; A52-K56 VanDerWaalsContact O-N 3.08Å |
| 53 | N | 93.1 | Very high | 93.9 | Very high | 105 Ų | 105 | 105 Ų | 105 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68 | -42 | 176.3 | -73.7 | -20.8 | 0 | 0 | 0 | 111.9 | G49 F50 L51 K56 K57 | G49-N53 PolarHBondContact O-N 3.44Å; G49-N53 VanDerWaalsContact O-N 3.08Å; G49-N53 PolarHBondContact O-ND2 3.49Å; F50-N53 PolarHBondContact O-N 2.94Å; L51-N53 VanDerWaalsContact C-N 3.31Å; L51-N53 PolarHBondContact O-N 3.29Å; N53-K56 PolarHBondContact O-N 2.94Å; N53-K57 WeakPolarHBondContact O-CB 3.49Å; N53-K57 PolarHBondContact O-N 3.38Å |
| 54 | Q | 92.5 | Very high | 93.9 | Very high | 66 Ų | 66 | 104 Ų | 104 | 31% | 0.308 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 175.1 | -69.3 | -65.6 | 2 | 0 | 0 | 111.6 | F50 L51 K56 K57 Y58 | F50-Q54 HydrophobicContact CD1-CG 4.29Å; F50-Q54 HydrophobicContact CE1-CG 3.86Å; F50-Q54 HydrophobicContact CE2-CG 4.26Å; F50-Q54 HydrophobicContact CZ-CG 3.86Å; F50-Q54 VanDerWaalsContact CZ-NE2 3.34Å; F50-Q54 WeakPolarHBondContact O-CG 3.35Å; F50-Q54 PolarHBondContact O-N 2.98Å; L51-Q54 PolarHBondContact O-N 3.2Å; Q54-K56 VanDerWaalsContact C-N 3.32Å; Q54-K56 PolarHBondContact O-N 3.41Å; Q54-K57 WeakPolarHBondContact O-CB 3.49Å; Q54-K57 PolarHBondContact O-N 3.29Å; Q54-Y58 WeakPolarHBondContact O-CD2 3.46Å; Q54-Y58 PolarHBondContact O-N 3.5Å |
| 55 | Q | 93.2 | Very high | 93.7 | Very high | 116 Ų | 116 | 102.2 Ų | 102.2 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 178 | -167.5 | -174.8 | 18.6 | 0 | 0 | 111.9 | L51 K59 | L51-Q55 WeakPolarHBondContact O-CB 3.33Å; L51-Q55 PolarHBondContact O-N 2.98Å; Q55-K59 HydrophobicContact CG-CD 4.44Å; Q55-K59 WeakPolarHBondContact O-CB 3.27Å; Q55-K59 WeakPolarHBondContact O-CG 3.5Å; Q55-K59 PolarHBondContact O-N 3.35Å; Q55-K59 VanDerWaalsContact O-N 3.1Å |
| 56 | K | 93.8 | Very high | 93.7 | Very high | 142 Ų | 142 | 102.1 Ų | 102.1 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.2 | -42.3 | 175.8 | -74.5 | 174.2 | -177 | 177.4 | 0 | 112 | A52 N53 Q54 K59 Y60 | A52-K56 VanDerWaalsContact O-CG 3.31Å; A52-K56 WeakPolarHBondContact O-CG 3.48Å; A52-K56 PolarHBondContact O-N 2.95Å; A52-K56 VanDerWaalsContact O-N 3.08Å; N53-K56 PolarHBondContact O-N 2.94Å; Q54-K56 VanDerWaalsContact C-N 3.32Å; Q54-K56 PolarHBondContact O-N 3.41Å; K56-K59 PolarHBondContact O-N 2.92Å; K56-Y60 WeakPolarHBondContact O-CB 3.47Å; K56-Y60 PolarHBondContact O-N 3.37Å |
| 57 | K | 93.7 | Very high | 93.6 | Very high | 143 Ų | 143 | 101 Ų | 101 | 62% | 0.622 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.9 | -49.6 | 178.8 | -176.4 | -176.8 | 176.5 | -174.4 | 0 | 111.7 | N53 Q54 K59 Y60 E61 | N53-K57 WeakPolarHBondContact O-CB 3.49Å; N53-K57 PolarHBondContact O-N 3.38Å; Q54-K57 WeakPolarHBondContact O-CB 3.49Å; Q54-K57 PolarHBondContact O-N 3.29Å; K57-K59 PolarHBondContact O-N 3.3Å; K57-Y60 PolarHBondContact O-N 3.03Å; K57-E61 PolarHBondContact O-N 3.42Å |
| 58 | Y | 87.4 | Confident | 93.6 | Very high | 176 Ų | 176 | 102.2 Ų | 102.2 | 69% | 0.69 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.6 | -45.3 | 177.2 | -88.5 | -81.8 | 0 | 0 | 0 | 112.1 | Q54 Y60 E61 E62 | Q54-Y58 WeakPolarHBondContact O-CD2 3.46Å; Q54-Y58 PolarHBondContact O-N 3.5Å; Y58-Y60 VanDerWaalsContact C-N 3.33Å; Y58-Y60 PolarHBondContact O-N 3.06Å; Y58-E61 PolarHBondContact O-N 3.1Å; Y58-E62 PolarHBondContact O-N 3.38Å |
| 59 | K | 90.1 | Very high | 93.6 | Very high | 115 Ų | 115 | 105.3 Ų | 105.3 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 176.1 | -75.6 | 179.6 | 176.8 | -179.1 | 0 | 112.6 | Q55 K56 K57 C63 | Q55-K59 HydrophobicContact CG-CD 4.44Å; Q55-K59 WeakPolarHBondContact O-CB 3.27Å; Q55-K59 WeakPolarHBondContact O-CG 3.5Å; Q55-K59 PolarHBondContact O-N 3.35Å; Q55-K59 VanDerWaalsContact O-N 3.1Å; K56-K59 PolarHBondContact O-N 2.92Å; K57-K59 PolarHBondContact O-N 3.3Å; K59-C63 WeakPolarHBondContact O-CB 3.21Å; K59-C63 PolarHBondContact O-N 3.48Å; K59-C63 PolarHBondContact O-SG 3.28Å |
| 60 | Y | 91.6 | Very high | 93.6 | Very high | 161 Ų | 161 | 109.2 Ų | 109.2 | 63% | 0.631 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64 | -43.3 | 177.7 | 178.3 | -97.5 | 0 | 0 | 0 | 112 | K56 K57 Y58 C63 K64 | K56-Y60 WeakPolarHBondContact O-CB 3.47Å; K56-Y60 PolarHBondContact O-N 3.37Å; K57-Y60 PolarHBondContact O-N 3.03Å; Y58-Y60 VanDerWaalsContact C-N 3.33Å; Y58-Y60 PolarHBondContact O-N 3.06Å; Y60-C63 PolarHBondContact O-N 3.45Å; Y60-K64 HydrophobicContact CE1-CD 4.21Å; Y60-K64 VanDerWaalsContact O-CB 3.27Å; Y60-K64 WeakPolarHBondContact O-CB 3.43Å; Y60-K64 PolarHBondContact O-N 3.07Å |
| 61 | E | 91.7 | Very high | 93.7 | Very high | 75 Ų | 75 | 108.5 Ų | 108.5 | 35% | 0.35 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.9 | -41.5 | -179.6 | -156.9 | 63.1 | -153.8 | 0 | 0 | 111.8 | K57 Y58 C63 K64 D65 | K57-E61 PolarHBondContact O-N 3.42Å; Y58-E61 PolarHBondContact O-N 3.1Å; E61-C63 PolarHBondContact O-N 3.2Å; E61-K64 WeakPolarHBondContact O-CB 3.43Å; E61-K64 PolarHBondContact O-N 3.48Å; E61-K64 IonicContact OE1-NZ 3.37Å; E61-K64 PolarHBondContact OE1-NZ 3.42Å; E61-K64 IonicContact OE2-NZ 3.83Å; E61-K64 PolarHBondContact OE2-NZ 3.18Å; E61-D65 PolarHBondContact O-N 2.96Å |
| 62 | E | 91.1 | Very high | 93.7 | Very high | 144 Ų | 144 | 111.6 Ų | 111.6 | 67% | 0.673 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.8 | -45.4 | 174.7 | -173.6 | 177.7 | -160.4 | 0 | 0 | 111.8 | Y58 K64 D65 L66 | Y58-E62 PolarHBondContact O-N 3.38Å; E62-K64 VanDerWaalsContact C-N 3.33Å; E62-K64 PolarHBondContact O-N 3.46Å; E62-D65 PolarHBondContact O-N 3.22Å; E62-L66 WeakPolarHBondContact O-CB 3.43Å; E62-L66 PolarHBondContact O-N 2.94Å |
| 63 | C | 88.4 | Confident | 93.8 | Very high | 71 Ų | 71 | 112.5 Ų | 112.5 | 48% | 0.48 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -39.4 | 175 | -70.3 | 0 | 0 | 0 | 0 | 112.3 | K59 Y60 E61 L66 I67 | K59-C63 WeakPolarHBondContact O-CB 3.21Å; K59-C63 PolarHBondContact O-N 3.48Å; K59-C63 PolarHBondContact O-SG 3.28Å; Y60-C63 PolarHBondContact O-N 3.45Å; E61-C63 PolarHBondContact O-N 3.2Å; C63-L66 PolarHBondContact O-N 2.93Å; C63-I67 WeakPolarHBondContact O-CB 3.38Å; C63-I67 WeakPolarHBondContact O-CD1 3.39Å; C63-I67 WeakPolarHBondContact O-CG1 3.38Å; C63-I67 PolarHBondContact O-N 2.97Å |
| 64 | K | 95.2 | Very high | 93.9 | Very high | 84 Ų | 84 | 112.3 Ų | 112.3 | 37% | 0.365 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 178.7 | 173.4 | -176.3 | 165.8 | -150.7 | 0 | 111.7 | Y60 E61 E62 K68 | Y60-K64 HydrophobicContact CE1-CD 4.21Å; Y60-K64 VanDerWaalsContact O-CB 3.27Å; Y60-K64 WeakPolarHBondContact O-CB 3.43Å; Y60-K64 PolarHBondContact O-N 3.07Å; E61-K64 WeakPolarHBondContact O-CB 3.43Å; E61-K64 PolarHBondContact O-N 3.48Å; E61-K64 IonicContact OE1-NZ 3.37Å; E61-K64 PolarHBondContact OE1-NZ 3.42Å; E61-K64 IonicContact OE2-NZ 3.83Å; E61-K64 PolarHBondContact OE2-NZ 3.18Å; E62-K64 VanDerWaalsContact C-N 3.33Å; E62-K64 PolarHBondContact O-N 3.46Å; K64-K68 WeakPolarHBondContact O-CB 3.48Å; K64-K68 PolarHBondContact O-N 2.93Å |
| 65 | D | 93.4 | Very high | 94.1 | Very high | 77 Ų | 77 | 117.6 Ų | 117.6 | 41% | 0.412 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.9 | -38.6 | 178 | -75.2 | -26.2 | 0 | 0 | 0 | 112 | E61 E62 K68 F69 | E61-D65 PolarHBondContact O-N 2.96Å; E62-D65 PolarHBondContact O-N 3.22Å; D65-K68 PolarHBondContact O-N 2.72Å; D65-K68 IonicContact OD1-NZ 3.57Å; D65-F69 VanDerWaalsContact O-CB 3.31Å; D65-F69 WeakPolarHBondContact O-CB 3.3Å; D65-F69 PolarHBondContact O-N 3.1Å |
| 66 | L | 95.9 | Very high | 94.3 | Very high | 99 Ų | 99 | 116.5 Ų | 116.5 | 52% | 0.518 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.6 | -48.2 | 172.7 | 179.2 | 61.1 | 0 | 0 | 0 | 111.5 | E62 C63 K68 F69 M70 | E62-L66 WeakPolarHBondContact O-CB 3.43Å; E62-L66 PolarHBondContact O-N 2.94Å; C63-L66 PolarHBondContact O-N 2.93Å; L66-K68 VanDerWaalsContact C-N 3.35Å; L66-K68 PolarHBondContact O-N 2.99Å; L66-F69 PolarHBondContact O-N 3.27Å; L66-M70 HydrophobicContact CD1-CG 4.22Å; L66-M70 HydrophobicContact CD1-SD 4.27Å; L66-M70 HydrophobicContact CG-SD 4.15Å; L66-M70 VanDerWaalsContact O-CG 3.3Å; L66-M70 WeakPolarHBondContact O-CG 3.45Å; L66-M70 PolarHBondContact O-N 2.97Å |
| 67 | I | 96.1 | Very high | 94.4 | Very high | 99 Ų | 99 | 116 Ų | 116 | 51% | 0.508 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 177.8 | -70.4 | 164.8 | 0 | 0 | 0 | 110.5 | C63 F69 M70 L71 | C63-I67 WeakPolarHBondContact O-CB 3.38Å; C63-I67 WeakPolarHBondContact O-CD1 3.39Å; C63-I67 WeakPolarHBondContact O-CG1 3.38Å; C63-I67 PolarHBondContact O-N 2.97Å; I67-F69 VanDerWaalsContact C-N 3.32Å; I67-F69 PolarHBondContact O-N 3.32Å; I67-M70 PolarHBondContact O-N 3.4Å; I67-L71 HydrophobicContact CG2-CD1 3.84Å; I67-L71 HydrophobicContact CG2-CG 4.37Å; I67-L71 WeakPolarHBondContact O-CB 3.38Å; I67-L71 VanDerWaalsContact O-CG 3.26Å; I67-L71 WeakPolarHBondContact O-CG 3.44Å; I67-L71 PolarHBondContact O-N 3.37Å |
| 68 | K | 97 | Very high | 94.6 | Very high | 125 Ų | 125 | 114.5 Ų | 114.5 | 54% | 0.543 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 176.9 | -176.5 | -171.6 | -72 | 163 | 0 | 111.5 | K64 D65 L66 R72 | K64-K68 WeakPolarHBondContact O-CB 3.48Å; K64-K68 PolarHBondContact O-N 2.93Å; D65-K68 PolarHBondContact O-N 2.72Å; D65-K68 IonicContact OD1-NZ 3.57Å; L66-K68 VanDerWaalsContact C-N 3.35Å; L66-K68 PolarHBondContact O-N 2.99Å; K68-R72 WeakPolarHBondContact O-CB 3.26Å; K68-R72 PolarHBondContact O-N 3.25Å |
| 69 | F | 96.6 | Very high | 95.1 | Very high | 122 Ų | 122 | 112.2 Ų | 112.2 | 54% | 0.535 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.2 | -49 | 177.8 | 176.5 | -105.7 | 0 | 0 | 0 | 111.6 | D65 L66 I67 L71 R72 N73 | D65-F69 VanDerWaalsContact O-CB 3.31Å; D65-F69 WeakPolarHBondContact O-CB 3.3Å; D65-F69 PolarHBondContact O-N 3.1Å; L66-F69 PolarHBondContact O-N 3.27Å; I67-F69 VanDerWaalsContact C-N 3.32Å; I67-F69 PolarHBondContact O-N 3.32Å; F69-L71 VanDerWaalsContact C-N 3.34Å; F69-L71 PolarHBondContact O-N 2.87Å; F69-R72 PolarHBondContact O-N 3.46Å; F69-R72 VanDerWaalsContact O-N 3.17Å; F69-N73 WeakPolarHBondContact CD1-ND2 3.5Å; F69-N73 WeakPolarHBondContact CE1-ND2 3.44Å; F69-N73 WeakPolarHBondContact CE2-ND2 3.47Å; F69-N73 WeakPolarHBondContact CZ-ND2 3.31Å; F69-N73 VanDerWaalsContact O-CG 3.32Å; F69-N73 PolarHBondContact O-N 2.68Å |
| 70 | M | 97.1 | Very high | 95.4 | Very high | 114 Ų | 114 | 113.4 Ų | 113.4 | 56% | 0.562 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.6 | -46.3 | 177.5 | -71.3 | -179.5 | 71.6 | 0 | 0 | 111.7 | L66 I67 R72 N73 E74 | L66-M70 HydrophobicContact CD1-CG 4.22Å; L66-M70 HydrophobicContact CD1-SD 4.27Å; L66-M70 HydrophobicContact CG-SD 4.15Å; L66-M70 VanDerWaalsContact O-CG 3.3Å; L66-M70 WeakPolarHBondContact O-CG 3.45Å; L66-M70 PolarHBondContact O-N 2.97Å; I67-M70 PolarHBondContact O-N 3.4Å; M70-R72 VanDerWaalsContact C-N 3.32Å; M70-R72 PolarHBondContact O-N 3.36Å; M70-N73 PolarHBondContact O-N 3.42Å; M70-E74 WeakPolarHBondContact O-CB 3.3Å; M70-E74 PolarHBondContact O-N 2.91Å |
| 71 | L | 97.4 | Very high | 95.7 | Very high | 104 Ų | 104 | 111.4 Ų | 111.4 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 178 | -71.4 | 171.5 | 0 | 0 | 0 | 112.8 | I67 F69 R75 | I67-L71 HydrophobicContact CG2-CD1 3.84Å; I67-L71 HydrophobicContact CG2-CG 4.37Å; I67-L71 WeakPolarHBondContact O-CB 3.38Å; I67-L71 VanDerWaalsContact O-CG 3.26Å; I67-L71 WeakPolarHBondContact O-CG 3.44Å; I67-L71 PolarHBondContact O-N 3.37Å; F69-L71 VanDerWaalsContact C-N 3.34Å; F69-L71 PolarHBondContact O-N 2.87Å; L71-R75 WeakPolarHBondContact O-CB 3.37Å; L71-R75 PolarHBondContact O-N 3.42Å |
| 72 | R | 97.4 | Very high | 96 | Very high | 167 Ų | 167 | 113 Ų | 113 | 63% | 0.63 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.6 | -47.4 | 176.8 | -168.5 | -177 | -146.9 | -171.6 | 5.2 | 111.1 | K68 F69 M70 R75 Q76 | K68-R72 WeakPolarHBondContact O-CB 3.26Å; K68-R72 PolarHBondContact O-N 3.25Å; F69-R72 PolarHBondContact O-N 3.46Å; F69-R72 VanDerWaalsContact O-N 3.17Å; M70-R72 VanDerWaalsContact C-N 3.32Å; M70-R72 PolarHBondContact O-N 3.36Å; R72-R75 WeakPolarHBondContact O-CB 3.39Å; R72-R75 PolarHBondContact O-N 2.96Å; R72-Q76 WeakPolarHBondContact O-CG 2.97Å; R72-Q76 PolarHBondContact O-N 2.87Å |
| 73 | N | 96.1 | Very high | 96.4 | Very high | 57 Ų | 57 | 109 Ų | 109 | 31% | 0.305 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66 | -41.5 | -179.3 | -66.4 | -10.4 | 0 | 0 | 0 | 111.6 | F69 M70 R75 Q76 F77 | F69-N73 WeakPolarHBondContact CD1-ND2 3.5Å; F69-N73 WeakPolarHBondContact CE1-ND2 3.44Å; F69-N73 WeakPolarHBondContact CE2-ND2 3.47Å; F69-N73 WeakPolarHBondContact CZ-ND2 3.31Å; F69-N73 VanDerWaalsContact O-CG 3.32Å; F69-N73 PolarHBondContact O-N 2.68Å; M70-N73 PolarHBondContact O-N 3.42Å; N73-R75 VanDerWaalsContact C-N 3.26Å; N73-R75 PolarHBondContact O-N 3.19Å; N73-Q76 PolarHBondContact O-N 3.17Å; N73-F77 WeakPolarHBondContact O-CB 2.99Å; N73-F77 PolarHBondContact O-N 3.03Å |
| 74 | E | 96.6 | Very high | 96.8 | Very high | 102 Ų | 102 | 110 Ų | 110 | 48% | 0.477 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.5 | -38.4 | 177.2 | -169.3 | -174.6 | 165.9 | 0 | 0 | 111.3 | M70 K78 | M70-E74 WeakPolarHBondContact O-CB 3.3Å; M70-E74 PolarHBondContact O-N 2.91Å; E74-K78 VanDerWaalsContact O-CG 3.3Å; E74-K78 WeakPolarHBondContact O-CG 3.33Å; E74-K78 PolarHBondContact O-N 3.36Å; E74-K78 WeakPolarHBondContact OE1-CE 3.5Å; E74-K78 IonicContact OE1-NZ 2.72Å; E74-K78 PolarHBondContact OE1-NZ 3.21Å |
| 75 | R | 96.8 | Very high | 97 | Very high | 176 Ų | 176 | 110.7 Ų | 110.7 | 66% | 0.664 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.9 | -49.7 | 173.1 | -174.2 | -167.3 | -56.2 | 178.9 | 0.1 | 111.6 | L71 R72 N73 F77 K78 E79 | L71-R75 WeakPolarHBondContact O-CB 3.37Å; L71-R75 PolarHBondContact O-N 3.42Å; R72-R75 WeakPolarHBondContact O-CB 3.39Å; R72-R75 PolarHBondContact O-N 2.96Å; N73-R75 VanDerWaalsContact C-N 3.26Å; N73-R75 PolarHBondContact O-N 3.19Å; R75-F77 VanDerWaalsContact C-N 3.35Å; R75-F77 PolarHBondContact O-N 2.84Å; R75-K78 PolarHBondContact O-N 3.18Å; R75-E79 WeakPolarHBondContact O-CB 3.48Å; R75-E79 PolarHBondContact O-N 3.36Å |
| 76 | Q | 97.6 | Very high | 97.2 | Very high | 93 Ų | 93 | 112.9 Ų | 112.9 | 44% | 0.435 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | -178.9 | -75.1 | 174.9 | -28.1 | 0 | 0 | 111.8 | R72 N73 K78 E79 E80 | R72-Q76 WeakPolarHBondContact O-CG 2.97Å; R72-Q76 PolarHBondContact O-N 2.87Å; N73-Q76 PolarHBondContact O-N 3.17Å; Q76-K78 VanDerWaalsContact C-N 3.3Å; Q76-K78 PolarHBondContact O-N 3.2Å; Q76-E79 PolarHBondContact O-N 3Å; Q76-E79 VanDerWaalsContact O-N 3.16Å; Q76-E80 WeakPolarHBondContact O-CB 3.4Å; Q76-E80 PolarHBondContact O-N 2.91Å |
| 77 | F | 96.1 | Very high | 97.3 | Very high | 133 Ų | 133 | 114.4 Ų | 114.4 | 58% | 0.583 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.8 | -41.7 | 175.7 | 175 | -102 | 0 | 0 | 0 | 112.2 | N73 R75 K81 | N73-F77 WeakPolarHBondContact O-CB 2.99Å; N73-F77 PolarHBondContact O-N 3.03Å; R75-F77 VanDerWaalsContact C-N 3.35Å; R75-F77 PolarHBondContact O-N 2.84Å; F77-K81 VanDerWaalsContact O-CB 3.29Å; F77-K81 WeakPolarHBondContact O-CB 3.35Å; F77-K81 PolarHBondContact O-N 3.47Å |
| 78 | K | 96.9 | Very high | 97.4 | Very high | 110 Ų | 110 | 114.6 Ų | 114.6 | 48% | 0.478 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 175.8 | -71.9 | 171.6 | -173.6 | 169.4 | 0 | 111.8 | E74 R75 Q76 K81 L82 | E74-K78 VanDerWaalsContact O-CG 3.3Å; E74-K78 WeakPolarHBondContact O-CG 3.33Å; E74-K78 PolarHBondContact O-N 3.36Å; E74-K78 WeakPolarHBondContact OE1-CE 3.5Å; E74-K78 IonicContact OE1-NZ 2.72Å; E74-K78 PolarHBondContact OE1-NZ 3.21Å; R75-K78 PolarHBondContact O-N 3.18Å; Q76-K78 VanDerWaalsContact C-N 3.3Å; Q76-K78 PolarHBondContact O-N 3.2Å; K78-K81 PolarHBondContact O-N 2.96Å; K78-L82 WeakPolarHBondContact O-CB 3.45Å; K78-L82 WeakPolarHBondContact O-CG 3.29Å; K78-L82 PolarHBondContact O-N 2.85Å |
| 79 | E | 97.4 | Very high | 97.5 | Very high | 128 Ų | 128 | 111.4 Ų | 111.4 | 60% | 0.598 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.4 | -46.2 | 178.3 | -174.5 | 174.6 | -177.9 | 0 | 0 | 111.7 | R75 Q76 L82 A83 | R75-E79 WeakPolarHBondContact O-CB 3.48Å; R75-E79 PolarHBondContact O-N 3.36Å; Q76-E79 PolarHBondContact O-N 3Å; Q76-E79 VanDerWaalsContact O-N 3.16Å; E79-L82 PolarHBondContact O-N 2.72Å; E79-A83 WeakPolarHBondContact O-CB 3.37Å; E79-A83 PolarHBondContact O-N 2.89Å |
| 80 | E | 97.4 | Very high | 97.5 | Very high | 140 Ų | 140 | 109 Ų | 109 | 65% | 0.654 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.8 | -44.9 | 175.8 | -175.3 | 177.4 | -175.2 | 0 | 0 | 111.4 | Q76 L82 A83 E84 | Q76-E80 WeakPolarHBondContact O-CB 3.4Å; Q76-E80 PolarHBondContact O-N 2.91Å; E80-L82 VanDerWaalsContact C-N 3.3Å; E80-L82 PolarHBondContact O-N 2.86Å; E80-A83 PolarHBondContact O-N 3.12Å; E80-E84 PolarHBondContact O-N 3.16Å |
| 81 | K | 98.1 | Very high | 97.6 | Very high | 119 Ų | 119 | 109.7 Ų | 109.7 | 52% | 0.517 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 175.5 | -176.1 | 175.6 | -179 | 176.8 | 0 | 112.2 | F77 K78 Q85 | F77-K81 VanDerWaalsContact O-CB 3.29Å; F77-K81 WeakPolarHBondContact O-CB 3.35Å; F77-K81 PolarHBondContact O-N 3.47Å; K78-K81 PolarHBondContact O-N 2.96Å; K81-Q85 WeakPolarHBondContact O-CG 3.45Å; K81-Q85 PolarHBondContact O-N 3.28Å; K81-Q85 VanDerWaalsContact O-N 3.12Å |
| 82 | L | 98 | Very high | 97.6 | Very high | 110 Ų | 110 | 110.6 Ų | 110.6 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69 | -39.3 | 176.4 | -75 | 171.9 | 0 | 0 | 0 | 111.9 | K78 E79 E80 E84 Q85 L86 | K78-L82 WeakPolarHBondContact O-CB 3.45Å; K78-L82 WeakPolarHBondContact O-CG 3.29Å; K78-L82 PolarHBondContact O-N 2.85Å; E79-L82 PolarHBondContact O-N 2.72Å; E80-L82 VanDerWaalsContact C-N 3.3Å; E80-L82 PolarHBondContact O-N 2.86Å; L82-E84 VanDerWaalsContact C-N 3.35Å; L82-Q85 PolarHBondContact O-N 3.01Å; L82-L86 WeakPolarHBondContact O-CB 3.38Å; L82-L86 PolarHBondContact O-N 3.49Å |
| 83 | A | 97.9 | Very high | 97.7 | Very high | 59 Ų | 59 | 110.1 Ų | 110.1 | 49% | 0.488 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | E79 E80 L86 K87 | E79-A83 WeakPolarHBondContact O-CB 3.37Å; E79-A83 PolarHBondContact O-N 2.89Å; E80-A83 PolarHBondContact O-N 3.12Å; A83-L86 PolarHBondContact O-N 3.43Å; A83-K87 WeakPolarHBondContact O-CB 3.36Å; A83-K87 PolarHBondContact O-N 2.88Å |
| 84 | E | 98 | Very high | 97.8 | Very high | 92 Ų | 92 | 113 Ų | 113 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 176.2 | -170.9 | 58.2 | -145.9 | 0 | 0 | 111.6 | E80 L82 L86 K87 Q88 | E80-E84 PolarHBondContact O-N 3.16Å; L82-E84 VanDerWaalsContact C-N 3.35Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 3.31Å; E84-K87 WeakPolarHBondContact O-CB 3.29Å; E84-K87 PolarHBondContact O-N 3.18Å; E84-Q88 WeakPolarHBondContact O-CG 3.42Å; E84-Q88 PolarHBondContact O-N 2.86Å |
| 85 | Q | 98.3 | Very high | 97.8 | Very high | 99 Ų | 99 | 115.4 Ų | 115.4 | 46% | 0.463 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 173.8 | -75.7 | -177.7 | -18.9 | 0 | 0 | 112.4 | K81 L82 Q88 A89 | K81-Q85 WeakPolarHBondContact O-CG 3.45Å; K81-Q85 PolarHBondContact O-N 3.28Å; K81-Q85 VanDerWaalsContact O-N 3.12Å; L82-Q85 PolarHBondContact O-N 3.01Å; Q85-Q88 PolarHBondContact O-N 3.36Å; Q85-A89 WeakPolarHBondContact O-CB 3.4Å; Q85-A89 PolarHBondContact O-N 2.84Å |
| 86 | L | 98.2 | Very high | 97.9 | Very high | 123 Ų | 123 | 112.3 Ų | 112.3 | 64% | 0.644 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.3 | -42.8 | 177.4 | -167.8 | 159.2 | 0 | 0 | 0 | 110.8 | L82 A83 E84 Q88 A89 E90 | L82-L86 WeakPolarHBondContact O-CB 3.38Å; L82-L86 PolarHBondContact O-N 3.49Å; A83-L86 PolarHBondContact O-N 3.43Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 3.31Å; L86-Q88 PolarHBondContact O-N 3.23Å; L86-A89 PolarHBondContact O-N 2.74Å; L86-E90 PolarHBondContact O-N 3.33Å |
| 87 | K | 98.3 | Very high | 97.9 | Very high | 131 Ų | 131 | 112.5 Ų | 112.5 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.6 | -47.7 | 175.8 | -174.5 | -173.5 | 173.3 | -166 | 0 | 111.6 | A83 E84 A89 E90 E91 | A83-K87 WeakPolarHBondContact O-CB 3.36Å; A83-K87 PolarHBondContact O-N 2.88Å; E84-K87 WeakPolarHBondContact O-CB 3.29Å; E84-K87 PolarHBondContact O-N 3.18Å; K87-A89 VanDerWaalsContact C-N 3.35Å; K87-A89 PolarHBondContact O-N 2.8Å; K87-E90 PolarHBondContact O-N 2.92Å; K87-E91 PolarHBondContact O-N 2.96Å |
| 88 | Q | 98.4 | Very high | 98.1 | Very high | 102 Ų | 102 | 111.4 Ų | 111.4 | 48% | 0.477 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 176.5 | -69.5 | 173.6 | 5.5 | 0 | 0 | 112.2 | E84 Q85 L86 E91 L92 | E84-Q88 WeakPolarHBondContact O-CG 3.42Å; E84-Q88 PolarHBondContact O-N 2.86Å; Q85-Q88 PolarHBondContact O-N 3.36Å; L86-Q88 PolarHBondContact O-N 3.23Å; Q88-E91 PolarHBondContact O-N 2.94Å; Q88-L92 WeakPolarHBondContact O-CG 3.49Å; Q88-L92 PolarHBondContact O-N 2.83Å |
| 89 | A | 98.1 | Very high | 98.1 | Very high | 59 Ų | 59 | 108 Ų | 108 | 49% | 0.488 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q85 L86 K87 R93 | Q85-A89 WeakPolarHBondContact O-CB 3.4Å; Q85-A89 PolarHBondContact O-N 2.84Å; L86-A89 PolarHBondContact O-N 2.74Å; K87-A89 VanDerWaalsContact C-N 3.35Å; K87-A89 PolarHBondContact O-N 2.8Å; A89-R93 WeakPolarHBondContact O-CB 3.47Å; A89-R93 PolarHBondContact O-N 3.34Å |
| 90 | E | 98.1 | Very high | 98.2 | Very high | 71 Ų | 71 | 105.3 Ų | 105.3 | 33% | 0.332 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.4 | -38.1 | 176.6 | -174.7 | 59.2 | -150.8 | 0 | 0 | 111.6 | L86 K87 R93 Q94 | L86-E90 PolarHBondContact O-N 3.33Å; K87-E90 PolarHBondContact O-N 2.92Å; E90-R93 WeakPolarHBondContact O-CB 3.46Å; E90-R93 PolarHBondContact O-N 3.48Å; E90-R93 IonicContact OE1-NH1 2.68Å; E90-R93 PolarHBondContact OE1-NH1 2.94Å; E90-R93 WeakPolarHBondContact OE2-CD 3.5Å; E90-R93 IonicContact OE2-CZ 3.68Å; E90-R93 IonicContact OE2-NH1 3.84Å; E90-R93 PolarHBondContact OE2-NH1 3.01Å; E90-Q94 VanDerWaalsContact O-CG 3.32Å; E90-Q94 WeakPolarHBondContact O-CG 3.36Å; E90-Q94 PolarHBondContact O-N 3.4Å |
| 91 | E | 98.2 | Very high | 98.2 | Very high | 129 Ų | 129 | 100.3 Ų | 100.3 | 60% | 0.603 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.6 | -44.7 | 173.9 | -171.8 | 171.2 | -171.8 | 0 | 0 | 111.8 | K87 Q88 R93 Q94 Y95 | K87-E91 PolarHBondContact O-N 2.96Å; Q88-E91 PolarHBondContact O-N 2.94Å; E91-R93 VanDerWaalsContact C-N 3.31Å; E91-R93 PolarHBondContact O-N 3.24Å; E91-Q94 PolarHBondContact O-N 3.49Å; E91-Y95 PolarHBondContact O-N 3.45Å |
| 92 | L | 98.1 | Very high | 98.2 | Very high | 123 Ų | 123 | 100 Ų | 100 | 64% | 0.644 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.8 | -38.9 | 173.9 | -77.1 | 172.1 | 0 | 0 | 0 | 112.3 | Q88 Q94 Y95 K96 | Q88-L92 WeakPolarHBondContact O-CG 3.49Å; Q88-L92 PolarHBondContact O-N 2.83Å; L92-Q94 VanDerWaalsContact C-N 3.35Å; L92-Y95 PolarHBondContact O-N 3.01Å; L92-K96 WeakPolarHBondContact O-CB 3.44Å; L92-K96 PolarHBondContact O-N 3.3Å |
| 93 | R | 98.2 | Very high | 98.2 | Very high | 157 Ų | 157 | 99.3 Ų | 99.3 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.2 | -43.5 | 175.4 | -179.9 | -170.7 | 172.9 | -154 | -1.1 | 111.1 | A89 E90 E91 K96 V97 | A89-R93 WeakPolarHBondContact O-CB 3.47Å; A89-R93 PolarHBondContact O-N 3.34Å; E90-R93 WeakPolarHBondContact O-CB 3.46Å; E90-R93 PolarHBondContact O-N 3.48Å; E90-R93 IonicContact OE1-NH1 2.68Å; E90-R93 PolarHBondContact OE1-NH1 2.94Å; E90-R93 WeakPolarHBondContact OE2-CD 3.5Å; E90-R93 IonicContact OE2-CZ 3.68Å; E90-R93 IonicContact OE2-NH1 3.84Å; E90-R93 PolarHBondContact OE2-NH1 3.01Å; E91-R93 VanDerWaalsContact C-N 3.31Å; E91-R93 PolarHBondContact O-N 3.24Å; R93-K96 PolarHBondContact O-N 2.93Å; R93-V97 WeakPolarHBondContact O-CG2 3.47Å; R93-V97 PolarHBondContact O-N 3.38Å; R93-V97 VanDerWaalsContact O-N 3.12Å |
| 94 | Q | 98.4 | Very high | 98.2 | Very high | 117 Ų | 117 | 103.8 Ų | 103.8 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64 | -45.1 | 177.3 | -71.2 | 173.1 | 10.6 | 0 | 0 | 111.5 | E90 E91 L92 K96 V97 L98 | E90-Q94 VanDerWaalsContact O-CG 3.32Å; E90-Q94 WeakPolarHBondContact O-CG 3.36Å; E90-Q94 PolarHBondContact O-N 3.4Å; E91-Q94 PolarHBondContact O-N 3.49Å; L92-Q94 VanDerWaalsContact C-N 3.35Å; Q94-K96 VanDerWaalsContact C-N 3.33Å; Q94-K96 PolarHBondContact O-N 3Å; Q94-V97 PolarHBondContact O-N 3.11Å; Q94-L98 PolarHBondContact O-N 2.83Å |
| 95 | Y | 98.3 | Very high | 98.2 | Very high | 152 Ų | 152 | 105.6 Ų | 105.6 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59 | -44.4 | 175.9 | -177.7 | -102.7 | 0 | 0 | 0 | 111.7 | E91 L92 V97 L98 V99 | E91-Y95 PolarHBondContact O-N 3.45Å; L92-Y95 PolarHBondContact O-N 3.01Å; Y95-V97 VanDerWaalsContact C-N 3.32Å; Y95-V97 PolarHBondContact O-N 2.65Å; Y95-L98 WeakPolarHBondContact O-CB 3.32Å; Y95-L98 PolarHBondContact O-N 3.15Å; Y95-L98 VanDerWaalsContact O-N 3.12Å; Y95-V99 HydrophobicContact CD1-CG2 3.9Å; Y95-V99 HydrophobicContact CD2-CG2 4.45Å; Y95-V99 HydrophobicContact CE1-CG2 3.42Å; Y95-V99 VanDerWaalsContact CE1-CG2 3.42Å; Y95-V99 HydrophobicContact CE2-CG2 4.02Å; Y95-V99 HydrophobicContact CG-CG2 4.39Å; Y95-V99 VanDerWaalsContact CZ-CG2 3.48Å; Y95-V99 WeakPolarHBondContact O-CG2 3.42Å; Y95-V99 PolarHBondContact O-N 3.2Å |
| 96 | K | 98.3 | Very high | 98.2 | Very high | 112 Ų | 112 | 104.4 Ų | 104.4 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.4 | -41 | 176.8 | -175.7 | 173.5 | -177.9 | 176.4 | 0 | 112.6 | L92 R93 Q94 L98 H100 | L92-K96 WeakPolarHBondContact O-CB 3.44Å; L92-K96 PolarHBondContact O-N 3.3Å; R93-K96 PolarHBondContact O-N 2.93Å; Q94-K96 VanDerWaalsContact C-N 3.33Å; Q94-K96 PolarHBondContact O-N 3Å; K96-L98 VanDerWaalsContact C-N 3.34Å; K96-H100 VanDerWaalsContact CE-NE2 3.29Å; K96-H100 WeakPolarHBondContact CE-NE2 3.42Å; K96-H100 WeakPolarHBondContact O-CB 3.41Å; K96-H100 PolarHBondContact O-CD2 2.95Å; K96-H100 PolarHBondContact O-N 3.39Å |
| 97 | V | 98.1 | Very high | 98.1 | Very high | 96 Ų | 96 | 102.5 Ų | 102.5 | 58% | 0.582 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.6 | -43 | 175.7 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | R93 Q94 Y95 H100 A101 | R93-V97 WeakPolarHBondContact O-CG2 3.47Å; R93-V97 PolarHBondContact O-N 3.38Å; R93-V97 VanDerWaalsContact O-N 3.12Å; Q94-V97 PolarHBondContact O-N 3.11Å; Y95-V97 VanDerWaalsContact C-N 3.32Å; Y95-V97 PolarHBondContact O-N 2.65Å; V97-H100 PolarHBondContact O-N 3.06Å; V97-A101 PolarHBondContact O-N 3.42Å |
| 98 | L | 98.4 | Very high | 98.1 | Very high | 111 Ų | 111 | 101.6 Ų | 101.6 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.3 | -46.2 | 179.2 | -177.6 | 62.4 | 0 | 0 | 0 | 112.1 | Q94 Y95 K96 H100 A101 Q102 | Q94-L98 PolarHBondContact O-N 2.83Å; Y95-L98 WeakPolarHBondContact O-CB 3.32Å; Y95-L98 PolarHBondContact O-N 3.15Å; Y95-L98 VanDerWaalsContact O-N 3.12Å; K96-L98 VanDerWaalsContact C-N 3.34Å; L98-H100 VanDerWaalsContact C-N 3.33Å; L98-H100 PolarHBondContact O-N 3.39Å; L98-A101 WeakPolarHBondContact O-CB 3.49Å; L98-A101 PolarHBondContact O-N 3.36Å; L98-Q102 PolarHBondContact O-N 3.21Å |
| 99 | V | 98.4 | Very high | 98 | Very high | 38 Ų | 38 | 101.6 Ų | 101.6 | 23% | 0.23 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -57.3 | -47.8 | 175.9 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | Y95 A101 Q102 E103 | Y95-V99 HydrophobicContact CD1-CG2 3.9Å; Y95-V99 HydrophobicContact CD2-CG2 4.45Å; Y95-V99 HydrophobicContact CE1-CG2 3.42Å; Y95-V99 VanDerWaalsContact CE1-CG2 3.42Å; Y95-V99 HydrophobicContact CE2-CG2 4.02Å; Y95-V99 HydrophobicContact CG-CG2 4.39Å; Y95-V99 VanDerWaalsContact CZ-CG2 3.48Å; Y95-V99 WeakPolarHBondContact O-CG2 3.42Å; Y95-V99 PolarHBondContact O-N 3.2Å; V99-A101 VanDerWaalsContact C-N 3.28Å; V99-A101 PolarHBondContact O-N 3.12Å; V99-Q102 PolarHBondContact O-N 2.94Å; V99-Q102 VanDerWaalsContact O-N 3.14Å; V99-E103 HydrophobicContact CG1-CG 4.31Å; V99-E103 WeakPolarHBondContact CG1-OE1 3.34Å; V99-E103 WeakPolarHBondContact O-CG 3.49Å; V99-E103 PolarHBondContact O-N 3.25Å |
| 100 | H | 98.3 | Very high | 97.9 | Very high | 71 Ų | 71 | 106.2 Ų | 106.2 | 33% | 0.329 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -29.8 | 176.4 | -74 | -45 | 0 | 0 | 0 | 113.6 | K96 V97 L98 E103 R104 | K96-H100 VanDerWaalsContact CE-NE2 3.29Å; K96-H100 WeakPolarHBondContact CE-NE2 3.42Å; K96-H100 WeakPolarHBondContact O-CB 3.41Å; K96-H100 PolarHBondContact O-CD2 2.95Å; K96-H100 PolarHBondContact O-N 3.39Å; V97-H100 PolarHBondContact O-N 3.06Å; L98-H100 VanDerWaalsContact C-N 3.33Å; L98-H100 PolarHBondContact O-N 3.39Å; H100-E103 IonicContact CE1-OE2 3.88Å; H100-E103 IonicContact CG-OE2 3Å; H100-E103 IonicContact ND1-OE2 4Å; H100-E103 PolarHBondContact ND1-OE2 3.42Å; H100-R104 VanDerWaalsContact C-NH1 3.3Å; H100-R104 VanDerWaalsContact O-CG 3.29Å; H100-R104 WeakPolarHBondContact O-CG 3.49Å; H100-R104 PolarHBondContact O-N 3.45Å; H100-R104 PolarHBondContact O-NH1 2.75Å |
| 101 | A | 98.1 | Very high | 97.8 | Very high | 36 Ų | 36 | 108 Ų | 108 | 30% | 0.298 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.2 | -46.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | V97 L98 V99 E103 R104 E105 | V97-A101 PolarHBondContact O-N 3.42Å; L98-A101 WeakPolarHBondContact O-CB 3.49Å; L98-A101 PolarHBondContact O-N 3.36Å; V99-A101 VanDerWaalsContact C-N 3.28Å; V99-A101 PolarHBondContact O-N 3.12Å; A101-E103 PolarHBondContact O-N 3.02Å; A101-R104 WeakPolarHBondContact O-CB 3.39Å; A101-R104 PolarHBondContact O-N 2.82Å; A101-E105 PolarHBondContact O-N 2.94Å |
| 102 | Q | 98.5 | Very high | 97.8 | Very high | 113 Ų | 113 | 108.6 Ų | 108.6 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 178.7 | -171.1 | 177.1 | -1.8 | 0 | 0 | 112.6 | L98 V99 R104 E105 L106 | L98-Q102 PolarHBondContact O-N 3.21Å; V99-Q102 PolarHBondContact O-N 2.94Å; V99-Q102 VanDerWaalsContact O-N 3.14Å; Q102-R104 VanDerWaalsContact C-N 3.31Å; Q102-R104 PolarHBondContact O-N 2.86Å; Q102-E105 PolarHBondContact O-N 3.41Å; Q102-L106 HydrophobicContact CG-CD1 4.37Å; Q102-L106 WeakPolarHBondContact O-CB 3.29Å; Q102-L106 WeakPolarHBondContact O-CG 3.48Å; Q102-L106 PolarHBondContact O-N 3.42Å |
| 103 | E | 97.8 | Very high | 97.7 | Very high | 94 Ų | 94 | 106.2 Ų | 106.2 | 44% | 0.439 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.8 | -41.4 | 173.9 | -75.1 | 169.7 | 171.8 | 0 | 0 | 112 | V99 H100 A101 L106 T107 | V99-E103 HydrophobicContact CG1-CG 4.31Å; V99-E103 WeakPolarHBondContact CG1-OE1 3.34Å; V99-E103 WeakPolarHBondContact O-CG 3.49Å; V99-E103 PolarHBondContact O-N 3.25Å; H100-E103 IonicContact CE1-OE2 3.88Å; H100-E103 IonicContact CG-OE2 3Å; H100-E103 IonicContact ND1-OE2 4Å; H100-E103 PolarHBondContact ND1-OE2 3.42Å; A101-E103 PolarHBondContact O-N 3.02Å; E103-L106 PolarHBondContact O-N 3.49Å; E103-T107 WeakPolarHBondContact O-CB 3.28Å; E103-T107 PolarHBondContact O-N 3.16Å; E103-T107 PolarHBondContact O-OG1 3.42Å |
| 104 | R | 97.9 | Very high | 97.6 | Very high | 153 Ų | 153 | 106.2 Ų | 106.2 | 58% | 0.577 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.3 | -43.4 | 176.6 | -71.5 | 178.5 | -164.4 | 103.1 | -3.9 | 111.6 | H100 A101 Q102 T107 Q108 | H100-R104 VanDerWaalsContact C-NH1 3.3Å; H100-R104 VanDerWaalsContact O-CG 3.29Å; H100-R104 WeakPolarHBondContact O-CG 3.49Å; H100-R104 PolarHBondContact O-N 3.45Å; H100-R104 PolarHBondContact O-NH1 2.75Å; A101-R104 WeakPolarHBondContact O-CB 3.39Å; A101-R104 PolarHBondContact O-N 2.82Å; Q102-R104 VanDerWaalsContact C-N 3.31Å; Q102-R104 PolarHBondContact O-N 2.86Å; R104-T107 WeakPolarHBondContact O-CB 3.42Å; R104-T107 PolarHBondContact O-N 3.48Å; R104-Q108 WeakPolarHBondContact O-CG 3.45Å; R104-Q108 PolarHBondContact O-N 3.45Å |
| 105 | E | 98.3 | Very high | 97.5 | Very high | 130 Ų | 130 | 106.1 Ų | 106.1 | 61% | 0.607 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.7 | -42.9 | 176.4 | -71.5 | -178.7 | -172.5 | 0 | 0 | 111.9 | A101 Q102 T107 Q108 L109 | A101-E105 PolarHBondContact O-N 2.94Å; Q102-E105 PolarHBondContact O-N 3.41Å; E105-T107 VanDerWaalsContact C-N 3.31Å; E105-T107 PolarHBondContact O-N 2.84Å; E105-Q108 PolarHBondContact O-N 2.93Å; E105-L109 PolarHBondContact O-N 3.5Å |
| 106 | L | 97.1 | Very high | 97.4 | Very high | 75 Ų | 75 | 100.1 Ų | 100.1 | 39% | 0.393 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 174.5 | -77.3 | 172.8 | 0 | 0 | 0 | 111.7 | Q102 E103 L109 R110 | Q102-L106 HydrophobicContact CG-CD1 4.37Å; Q102-L106 WeakPolarHBondContact O-CB 3.29Å; Q102-L106 WeakPolarHBondContact O-CG 3.48Å; Q102-L106 PolarHBondContact O-N 3.42Å; E103-L106 PolarHBondContact O-N 3.49Å; L106-L109 PolarHBondContact O-N 3.2Å; L106-R110 WeakPolarHBondContact O-CB 3.4Å; L106-R110 VanDerWaalsContact O-CG 3.28Å; L106-R110 WeakPolarHBondContact O-CG 3.35Å; L106-R110 PolarHBondContact O-N 3.32Å |
| 107 | T | 96.9 | Very high | 97.4 | Very high | 83 Ų | 83 | 97.5 Ų | 97.5 | 51% | 0.509 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 175.6 | -57.9 | 0 | 0 | 0 | 0 | 111 | E103 R104 E105 L109 R110 E111 | E103-T107 WeakPolarHBondContact O-CB 3.28Å; E103-T107 PolarHBondContact O-N 3.16Å; E103-T107 PolarHBondContact O-OG1 3.42Å; R104-T107 WeakPolarHBondContact O-CB 3.42Å; R104-T107 PolarHBondContact O-N 3.48Å; E105-T107 VanDerWaalsContact C-N 3.31Å; E105-T107 PolarHBondContact O-N 2.84Å; T107-L109 VanDerWaalsContact C-N 3.34Å; T107-L109 PolarHBondContact O-N 3.14Å; T107-R110 PolarHBondContact O-N 2.92Å; T107-E111 PolarHBondContact O-N 2.89Å |
| 108 | Q | 98.1 | Very high | 97.3 | Very high | 112 Ų | 112 | 96.2 Ų | 96.2 | 52% | 0.523 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 176.4 | -70.4 | 173.4 | 10.4 | 0 | 0 | 112.5 | R104 E105 E111 K112 | R104-Q108 WeakPolarHBondContact O-CG 3.45Å; R104-Q108 PolarHBondContact O-N 3.45Å; E105-Q108 PolarHBondContact O-N 2.93Å; Q108-E111 PolarHBondContact O-N 3.06Å; Q108-K112 WeakPolarHBondContact O-CG 3.29Å; Q108-K112 PolarHBondContact O-N 2.97Å |
| 109 | L | 96.8 | Very high | 97.3 | Very high | 101 Ų | 101 | 93.7 Ų | 93.7 | 53% | 0.529 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.6 | -41.8 | 177.3 | -175.6 | 62.1 | 0 | 0 | 0 | 111.5 | E105 L106 T107 E111 K112 L113 | E105-L109 PolarHBondContact O-N 3.5Å; L106-L109 PolarHBondContact O-N 3.2Å; T107-L109 VanDerWaalsContact C-N 3.34Å; T107-L109 PolarHBondContact O-N 3.14Å; L109-E111 VanDerWaalsContact C-N 3.31Å; L109-E111 PolarHBondContact O-N 3.12Å; L109-K112 PolarHBondContact O-N 3.31Å; L109-L113 WeakPolarHBondContact O-CG 3.45Å; L109-L113 PolarHBondContact O-N 2.97Å |
| 110 | R | 95.6 | Very high | 97.2 | Very high | 156 Ų | 156 | 92.6 Ų | 92.6 | 59% | 0.589 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.6 | -39.3 | 174.9 | -75.4 | 170.6 | 173.2 | 158.9 | -6.5 | 111.9 | L106 T107 R114 | L106-R110 WeakPolarHBondContact O-CB 3.4Å; L106-R110 VanDerWaalsContact O-CG 3.28Å; L106-R110 WeakPolarHBondContact O-CG 3.35Å; L106-R110 PolarHBondContact O-N 3.32Å; T107-R110 PolarHBondContact O-N 2.92Å; R110-R114 WeakPolarHBondContact O-CB 3.47Å; R110-R114 PolarHBondContact O-N 3.47Å |
| 111 | E | 96.9 | Very high | 97.1 | Very high | 110 Ų | 110 | 94.5 Ų | 94.5 | 51% | 0.514 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.9 | -50.3 | 174.2 | -175.3 | 172.5 | -150.1 | 0 | 0 | 111.2 | T107 Q108 L109 L113 R114 E115 | T107-E111 PolarHBondContact O-N 2.89Å; Q108-E111 PolarHBondContact O-N 3.06Å; L109-E111 VanDerWaalsContact C-N 3.31Å; L109-E111 PolarHBondContact O-N 3.12Å; E111-L113 VanDerWaalsContact C-N 3.31Å; E111-L113 PolarHBondContact O-N 3.06Å; E111-R114 WeakPolarHBondContact O-CA 3.35Å; E111-R114 VanDerWaalsContact O-CB 3.29Å; E111-R114 WeakPolarHBondContact O-CB 3.39Å; E111-R114 PolarHBondContact O-N 3.44Å; E111-E115 WeakPolarHBondContact O-CG 3.4Å; E111-E115 PolarHBondContact O-N 3.31Å |
| 112 | K | 97.1 | Very high | 97.1 | Very high | 140 Ų | 140 | 95.1 Ų | 95.1 | 61% | 0.609 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.1 | -37.8 | 176.8 | -73.6 | -179.2 | 178.4 | 177.1 | 0 | 113.5 | Q108 L109 R114 G116 | Q108-K112 WeakPolarHBondContact O-CG 3.29Å; Q108-K112 PolarHBondContact O-N 2.97Å; L109-K112 PolarHBondContact O-N 3.31Å; K112-R114 VanDerWaalsContact C-N 3.32Å; K112-G116 PolarHBondContact O-N 3.06Å |
| 113 | L | 95.6 | Very high | 97 | Very high | 74 Ų | 74 | 93.9 Ų | 93.9 | 39% | 0.387 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 174.4 | -76 | 173.2 | 0 | 0 | 0 | 111.5 | L109 E111 R117 L162 | L109-L113 WeakPolarHBondContact O-CG 3.45Å; L109-L113 PolarHBondContact O-N 2.97Å; E111-L113 VanDerWaalsContact C-N 3.31Å; E111-L113 PolarHBondContact O-N 3.06Å; L113-R117 WeakPolarHBondContact O-CB 3.49Å; L113-R117 PolarHBondContact O-N 2.97Å; L113-L162 HydrophobicContact CD2-CD2 3.61Å |
| 114 | R | 96.3 | Very high | 96.9 | Very high | 157 Ų | 157 | 90.2 Ų | 90.2 | 59% | 0.592 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65.5 | -48.9 | 175.4 | -170.2 | -176 | -52.5 | -163.1 | 0.1 | 111.4 | R110 E111 K112 G116 R117 D118 | R110-R114 WeakPolarHBondContact O-CB 3.47Å; R110-R114 PolarHBondContact O-N 3.47Å; E111-R114 WeakPolarHBondContact O-CA 3.35Å; E111-R114 VanDerWaalsContact O-CB 3.29Å; E111-R114 WeakPolarHBondContact O-CB 3.39Å; E111-R114 PolarHBondContact O-N 3.44Å; K112-R114 VanDerWaalsContact C-N 3.32Å; R114-G116 VanDerWaalsContact C-N 3.33Å; R114-G116 PolarHBondContact O-N 3.3Å; R114-R117 WeakPolarHBondContact O-CB 3.46Å; R114-R117 PolarHBondContact O-N 3.43Å; R114-R117 VanDerWaalsContact O-N 3.11Å; R114-D118 PolarHBondContact O-N 3.44Å |
| 115 | E | 97.3 | Very high | 96.8 | Very high | 114 Ų | 114 | 87.9 Ų | 87.9 | 53% | 0.533 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -57.2 | -45.9 | 175.4 | -69.3 | 176.7 | 167.8 | 0 | 0 | 111.6 | E111 R117 D118 A119 | E111-E115 WeakPolarHBondContact O-CG 3.4Å; E111-E115 PolarHBondContact O-N 3.31Å; E115-R117 VanDerWaalsContact C-N 3.32Å; E115-R117 PolarHBondContact O-N 2.91Å; E115-D118 PolarHBondContact O-N 3.25Å; E115-A119 WeakPolarHBondContact O-CB 3.5Å; E115-A119 PolarHBondContact O-N 3.28Å |
| 116 | G | 96.7 | Very high | 96.6 | Very high | 27 Ų | 27 | 87.3 Ų | 87.3 | 28% | 0.278 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | K112 R114 S120 | K112-G116 PolarHBondContact O-N 3.06Å; R114-G116 VanDerWaalsContact C-N 3.33Å; R114-G116 PolarHBondContact O-N 3.3Å; G116-S120 WeakPolarHBondContact O-CB 3.32Å; G116-S120 PolarHBondContact O-N 2.97Å; G116-S120 PolarHBondContact O-OG 3.31Å |
| 117 | R | 96.6 | Very high | 96.4 | Very high | 56 Ų | 56 | 85.1 Ų | 85.1 | 21% | 0.211 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.2 | -45.3 | 175.6 | -169.8 | -167.3 | -54.1 | 162.8 | 7.5 | 111.2 | L113 R114 E115 S120 R121 V159 L162 P164 | L113-R117 WeakPolarHBondContact O-CB 3.49Å; L113-R117 PolarHBondContact O-N 2.97Å; R114-R117 WeakPolarHBondContact O-CB 3.46Å; R114-R117 PolarHBondContact O-N 3.43Å; R114-R117 VanDerWaalsContact O-N 3.11Å; E115-R117 VanDerWaalsContact C-N 3.32Å; E115-R117 PolarHBondContact O-N 2.91Å; R117-S120 PolarHBondContact O-N 3.24Å; R117-R121 PolarHBondContact O-N 2.76Å; R117-V159 HydrophobicContact CG-CG1 4.05Å; R117-L162 HydrophobicContact CB-CB 4.03Å; R117-L162 HydrophobicContact CB-CD1 4.5Å; R117-L162 HydrophobicContact CG-CB 4.38Å; R117-L162 VanDerWaalsContact CZ-O 3.31Å; R117-L162 PolarHBondContact NE-O 2.87Å; R117-L162 PolarHBondContact NH2-O 2.89Å; R117-P164 VanDerWaalsContact NH2-CD 3.34Å |
| 118 | D | 96.9 | Very high | 96.1 | Very high | 69 Ų | 69 | 85.8 Ų | 85.8 | 37% | 0.369 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 179.5 | -71.1 | -27.9 | 0 | 0 | 0 | 111.5 | R114 E115 S120 R121 S122 | R114-D118 PolarHBondContact O-N 3.44Å; E115-D118 PolarHBondContact O-N 3.25Å; D118-S120 VanDerWaalsContact C-N 3.34Å; D118-S120 PolarHBondContact O-N 3.31Å; D118-R121 PolarHBondContact O-N 2.76Å; D118-R121 IonicContact OD1-CZ 3.7Å; D118-R121 IonicContact OD1-NH1 3.39Å; D118-R121 PolarHBondContact OD1-NH1 3.41Å; D118-R121 IonicContact OD1-NH2 2.83Å; D118-S122 PolarHBondContact O-N 2.86Å |
| 119 | A | 97.8 | Very high | 95.8 | Very high | 59 Ų | 59 | 83.4 Ų | 83.4 | 49% | 0.488 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E115 R121 S122 L123 | E115-A119 WeakPolarHBondContact O-CB 3.5Å; E115-A119 PolarHBondContact O-N 3.28Å; A119-R121 VanDerWaalsContact C-N 3.35Å; A119-S122 PolarHBondContact O-N 3.02Å; A119-L123 WeakPolarHBondContact O-CB 3.48Å; A119-L123 PolarHBondContact O-N 2.95Å |
| 120 | S | 97.1 | Very high | 95.4 | Very high | 15 Ų | 15 | 84.2 Ų | 84.2 | 11% | 0.105 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.1 | -37.8 | 176 | -57.8 | 0 | 0 | 0 | 0 | 112 | G116 R117 D118 L123 N124 | G116-S120 WeakPolarHBondContact O-CB 3.32Å; G116-S120 PolarHBondContact O-N 2.97Å; G116-S120 PolarHBondContact O-OG 3.31Å; R117-S120 PolarHBondContact O-N 3.24Å; D118-S120 VanDerWaalsContact C-N 3.34Å; D118-S120 PolarHBondContact O-N 3.31Å; S120-L123 PolarHBondContact O-N 3.31Å; S120-N124 WeakPolarHBondContact O-CB 3.47Å; S120-N124 PolarHBondContact O-N 2.94Å |
| 121 | R | 96.6 | Very high | 94.7 | Very high | 110 Ų | 110 | 79 Ų | 79 | 42% | 0.415 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.6 | -49.4 | 174.4 | -171.2 | -170.8 | -62.3 | 124.6 | 5.6 | 110.8 | R117 D118 A119 L123 N124 E125 V159 | R117-R121 PolarHBondContact O-N 2.76Å; D118-R121 PolarHBondContact O-N 2.76Å; D118-R121 IonicContact OD1-CZ 3.7Å; D118-R121 IonicContact OD1-NH1 3.39Å; D118-R121 PolarHBondContact OD1-NH1 3.41Å; D118-R121 IonicContact OD1-NH2 2.83Å; A119-R121 VanDerWaalsContact C-N 3.35Å; R121-L123 VanDerWaalsContact C-N 3.33Å; R121-L123 PolarHBondContact O-N 3.05Å; R121-N124 WeakPolarHBondContact O-CB 3.36Å; R121-N124 PolarHBondContact O-N 2.88Å; R121-N124 VanDerWaalsContact O-N 3.17Å; R121-E125 WeakPolarHBondContact O-CG 3.36Å; R121-E125 PolarHBondContact O-N 3.11Å; R121-V159 HydrophobicContact CB-CG2 4.31Å |
| 122 | S | 97.8 | Very high | 93.6 | Very high | 49 Ų | 49 | 78.3 Ų | 78.3 | 34% | 0.343 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 177 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | D118 A119 N124 E125 H126 | D118-S122 PolarHBondContact O-N 2.86Å; A119-S122 PolarHBondContact O-N 3.02Å; S122-N124 PolarHBondContact O-N 3.34Å; S122-E125 PolarHBondContact O-N 2.72Å; S122-H126 PolarHBondContact O-CD2 3.06Å; S122-H126 PolarHBondContact O-N 3.36Å; S122-H126 PolarHBondContact OG-NE2 3.41Å |
| 123 | L | 96.7 | Very high | 92.1 | Very high | 87 Ų | 87 | 77.1 Ų | 77.1 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 174.3 | 176.9 | 62.8 | 0 | 0 | 0 | 111.7 | A119 S120 R121 E125 H126 L127 A155 | A119-L123 WeakPolarHBondContact O-CB 3.48Å; A119-L123 PolarHBondContact O-N 2.95Å; S120-L123 PolarHBondContact O-N 3.31Å; R121-L123 VanDerWaalsContact C-N 3.33Å; R121-L123 PolarHBondContact O-N 3.05Å; L123-E125 PolarHBondContact O-N 3.1Å; L123-H126 PolarHBondContact O-N 3.1Å; L123-L127 HydrophobicContact CD1-CD1 4.09Å; L123-L127 HydrophobicContact CD1-CG 4.15Å; L123-L127 HydrophobicContact CG-CD1 3.98Å; L123-L127 HydrophobicContact CG-CG 4.45Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 2.91Å; L123-A155 HydrophobicContact CD2-CB 4.32Å; L123-A155 HydrophobicContact CG-CB 4.36Å |
| 124 | N | 95.3 | Very high | 90.8 | Very high | 17 Ų | 17 | 80.9 Ų | 80.9 | 9% | 0.091 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 177.8 | -177.8 | 52.9 | 0 | 0 | 0 | 111.7 | S120 R121 S122 H126 L127 Q128 C152 A155 | S120-N124 WeakPolarHBondContact O-CB 3.47Å; S120-N124 PolarHBondContact O-N 2.94Å; R121-N124 WeakPolarHBondContact O-CB 3.36Å; R121-N124 PolarHBondContact O-N 2.88Å; R121-N124 VanDerWaalsContact O-N 3.17Å; S122-N124 PolarHBondContact O-N 3.34Å; N124-H126 PolarHBondContact O-N 2.93Å; N124-L127 PolarHBondContact O-N 2.94Å; N124-Q128 PolarHBondContact ND2-NE2 3.17Å; N124-Q128 VanDerWaalsContact ND2-NE2 3.14Å; N124-Q128 WeakPolarHBondContact O-CB 3.32Å; N124-Q128 VanDerWaalsContact O-CG 3.25Å; N124-Q128 WeakPolarHBondContact O-CG 3.4Å; N124-Q128 PolarHBondContact O-N 2.92Å; N124-C152 PolarHBondContact OD1-O 3.04Å; N124-A155 HydrophobicContact CB-CB 3.75Å |
| 125 | E | 94.6 | Very high | 89.1 | Confident | 105 Ų | 105 | 82.7 Ų | 82.7 | 49% | 0.491 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 175.6 | -72 | 168.3 | -172.9 | 0 | 0 | 111.7 | R121 S122 L123 Q128 A129 | R121-E125 WeakPolarHBondContact O-CG 3.36Å; R121-E125 PolarHBondContact O-N 3.11Å; S122-E125 PolarHBondContact O-N 2.72Å; L123-E125 PolarHBondContact O-N 3.1Å; E125-Q128 PolarHBondContact O-N 3.38Å; E125-A129 PolarHBondContact O-N 3.43Å |
| 126 | H | 95 | Very high | 87.4 | Confident | 117 Ų | 117 | 81.1 Ų | 81.1 | 54% | 0.542 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 176.7 | -72.3 | -50.5 | 0 | 0 | 0 | 112.6 | S122 L123 N124 Q128 A129 L130 | S122-H126 PolarHBondContact O-CD2 3.06Å; S122-H126 PolarHBondContact O-N 3.36Å; S122-H126 PolarHBondContact OG-NE2 3.41Å; L123-H126 PolarHBondContact O-N 3.1Å; N124-H126 PolarHBondContact O-N 2.93Å; H126-Q128 VanDerWaalsContact C-N 3.34Å; H126-A129 PolarHBondContact O-N 3.25Å; H126-L130 WeakPolarHBondContact O-CG 3.41Å; H126-L130 PolarHBondContact O-N 2.88Å; H126-L130 VanDerWaalsContact O-N 3.11Å |
| 127 | L | 92.9 | Very high | 85.7 | Confident | 29 Ų | 29 | 87.1 Ų | 87.1 | 15% | 0.152 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 176.6 | -69.2 | 171.9 | 0 | 0 | 0 | 111.8 | L123 N124 L130 L131 L148 C152 A155 | L123-L127 HydrophobicContact CD1-CD1 4.09Å; L123-L127 HydrophobicContact CD1-CG 4.15Å; L123-L127 HydrophobicContact CG-CD1 3.98Å; L123-L127 HydrophobicContact CG-CG 4.45Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 2.91Å; N124-L127 PolarHBondContact O-N 2.94Å; L127-L130 PolarHBondContact O-N 3.47Å; L127-L131 PolarHBondContact O-N 2.95Å; L127-L148 HydrophobicContact CD2-CD2 3.73Å; L127-C152 WeakPolarHBondContact CB-SG 3.33Å; L127-A155 HydrophobicContact CD1-CB 4.45Å |
| 128 | Q | 91.3 | Very high | 84.2 | Confident | 98 Ų | 98 | 94 Ų | 94 | 46% | 0.458 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 174.1 | -74.1 | 179.1 | -0.2 | 0 | 0 | 112.1 | N124 E125 H126 L130 L131 T132 | N124-Q128 PolarHBondContact ND2-NE2 3.17Å; N124-Q128 VanDerWaalsContact ND2-NE2 3.14Å; N124-Q128 WeakPolarHBondContact O-CB 3.32Å; N124-Q128 VanDerWaalsContact O-CG 3.25Å; N124-Q128 WeakPolarHBondContact O-CG 3.4Å; N124-Q128 PolarHBondContact O-N 2.92Å; E125-Q128 PolarHBondContact O-N 3.38Å; H126-Q128 VanDerWaalsContact C-N 3.34Å; Q128-L130 VanDerWaalsContact C-N 3.28Å; Q128-L130 PolarHBondContact O-N 3.27Å; Q128-L131 WeakPolarHBondContact O-CB 3.25Å; Q128-L131 PolarHBondContact O-N 2.86Å; Q128-L131 VanDerWaalsContact O-N 3.13Å; Q128-T132 PolarHBondContact O-N 3.32Å |
| 129 | A | 91.2 | Very high | 82.6 | Confident | 62 Ų | 62 | 95.7 Ų | 95.7 | 51% | 0.512 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -34.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E125 H126 L131 T132 | E125-A129 PolarHBondContact O-N 3.43Å; H126-A129 PolarHBondContact O-N 3.25Å; A129-L131 VanDerWaalsContact C-N 3.33Å; A129-T132 WeakPolarHBondContact O-CB 3.49Å; A129-T132 PolarHBondContact O-N 3.44Å; A129-T132 PolarHBondContact O-OG1 3.46Å |
| 130 | L | 87.8 | Confident | 80.9 | Confident | 118 Ų | 118 | 101.5 Ų | 101.5 | 62% | 0.618 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -73.2 | -24.8 | 173.8 | -66.4 | 173.8 | 0 | 0 | 0 | 113.2 | H126 L127 Q128 T132 L148 | H126-L130 WeakPolarHBondContact O-CG 3.41Å; H126-L130 PolarHBondContact O-N 2.88Å; H126-L130 VanDerWaalsContact O-N 3.11Å; L127-L130 PolarHBondContact O-N 3.47Å; Q128-L130 VanDerWaalsContact C-N 3.28Å; Q128-L130 PolarHBondContact O-N 3.27Å; L130-T132 VanDerWaalsContact C-N 3.25Å; L130-L148 HydrophobicContact CB-CD1 4.21Å; L130-L148 HydrophobicContact CB-CD2 4.31Å; L130-L148 HydrophobicContact CD1-CD2 4.17Å |
| 131 | L | 82.4 | Confident | 79.7 | Confident | 46 Ų | 46 | 102.2 Ų | 102.2 | 24% | 0.241 | 55% | 0.547 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -5.7 | 173.2 | -76.7 | 170.9 | 0 | 0 | 0 | 113.6 | L127 Q128 A129 Q145 L148 A149 C152 | L127-L131 PolarHBondContact O-N 2.95Å; Q128-L131 WeakPolarHBondContact O-CB 3.25Å; Q128-L131 PolarHBondContact O-N 2.86Å; Q128-L131 VanDerWaalsContact O-N 3.13Å; A129-L131 VanDerWaalsContact C-N 3.33Å; L131-Q145 HydrophobicContact CD2-CG 3.99Å; L131-L148 HydrophobicContact CD2-CB 3.6Å; L131-L148 HydrophobicContact CG-CB 3.94Å; L131-A149 HydrophobicContact CD1-CB 4.45Å; L131-A149 HydrophobicContact CD2-CB 4.43Å; L131-C152 HydrophobicContact CD1-CB 4.39Å; L131-C152 WeakPolarHBondContact CD1-SG 3.32Å |
| 132 | T | 73.1 | Confident | 78.9 | Confident | 95 Ų | 95 | 103.5 Ų | 103.5 | 58% | 0.583 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -53.9 | 128.7 | 176 | -46.3 | 0 | 0 | 0 | 0 | 109 | Q128 A129 L130 D134 | Q128-T132 PolarHBondContact O-N 3.32Å; A129-T132 WeakPolarHBondContact O-CB 3.49Å; A129-T132 PolarHBondContact O-N 3.44Å; A129-T132 PolarHBondContact O-OG1 3.46Å; L130-T132 VanDerWaalsContact C-N 3.25Å; T132-D134 VanDerWaalsContact C-N 3.31Å; T132-D134 PolarHBondContact O-N 2.73Å |
| 133 | P | 66 | Low | 78.2 | Confident | 116 Ų | 116 | 106.9 Ų | 106.9 | 75% | 0.753 | 57% | 0.572 | S | S | * | * | trans | -76.2 | 82.4 | -172.8 | 29.5 | -33.4 | 0 | 0 | 0 | 110.3 | ||||
| 134 | D | 66.6 | Low | 77.6 | Confident | 153 Ų | 153 | 107.8 Ų | 107.8 | 82% | 0.818 | 58% | 0.577 | S | S | * | * | trans | -77.5 | 138.6 | 153.9 | -110.3 | -9.7 | 0 | 0 | 0 | 108.4 | T132 P136 | T132-D134 VanDerWaalsContact C-N 3.31Å; T132-D134 PolarHBondContact O-N 2.73Å; D134-P136 WeakPolarHBondContact O-CD 3.24Å | ||
| 135 | E | 61.2 | Low | 77.2 | Confident | 195 Ų | 195 | 111.4 Ų | 111.4 | 91% | 0.911 | 59% | 0.593 | S | S | * | * | trans | -48.1 | 105.1 | -171 | -128.4 | 171.8 | 178.2 | 0 | 0 | 111.5 | ||||
| 136 | P | 61.6 | Low | 76.9 | Confident | 81 Ų | 81 | 112.5 Ų | 112.5 | 53% | 0.526 | 60% | 0.598 | S | S | . | * | trans | -89.1 | 133.1 | -171.2 | 30.3 | -27.9 | 0 | 0 | 0 | 111.9 | D134 K138 | D134-P136 WeakPolarHBondContact O-CD 3.24Å; P136-K138 PolarHBondContact O-N 3.36Å | ||
| 137 | D | 62 | Low | 76.7 | Confident | 153 Ų | 153 | 113.3 Ų | 113.3 | 82% | 0.818 | 60% | 0.602 | S | S | * | * | trans | -63.3 | 128.4 | 168.1 | -93.5 | -33.8 | 0 | 0 | 0 | 110.8 | S139 | D137-S139 VanDerWaalsContact C-N 3.34Å; D137-S139 PolarHBondContact O-N 3.14Å | ||
| 138 | K | 64.2 | Low | 76.7 | Confident | 199 Ų | 199 | 113.4 Ų | 113.4 | 87% | 0.865 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 36.1 | -151 | -62.9 | 179.1 | 178.5 | 174.1 | 0 | 117.8 | P136 | P136-K138 PolarHBondContact O-N 3.36Š|
| 139 | S | 63.9 | Low | 76.7 | Confident | 106 Ų | 106 | 110.3 Ų | 110.3 | 74% | 0.741 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158 | -28.6 | 171.6 | 53.6 | 0 | 0 | 0 | 0 | 117.4 | D137 | D137-S139 VanDerWaalsContact C-N 3.34Å; D137-S139 PolarHBondContact O-N 3.14Å |
| 140 | Q | 62.2 | Low | 76.8 | Confident | 180 Ų | 180 | 111.8 Ų | 111.8 | 84% | 0.841 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -18.9 | -177.5 | -165.5 | 169.5 | -21.9 | 0 | 0 | 113.4 | ||
| 141 | G | 71.3 | Confident | 77.2 | Confident | 30 Ų | 30 | 107.1 Ų | 107.1 | 31% | 0.309 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -81.8 | -13.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L144 Q145 | G141-L144 PolarHBondContact O-N 3.3Å; G141-Q145 VanDerWaalsContact O-CB 3.28Å; G141-Q145 WeakPolarHBondContact O-CB 3.42Å; G141-Q145 PolarHBondContact O-N 3.27Å |
| 142 | Q | 79.2 | Confident | 77.8 | Confident | 138 Ų | 138 | 105.5 Ų | 105.5 | 65% | 0.645 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -75.9 | -43.8 | -167.1 | -154.4 | 154.9 | -5.8 | 0 | 0 | 112.8 | L144 Q145 E146 | Q142-L144 VanDerWaalsContact C-N 3.31Å; Q142-L144 PolarHBondContact O-N 2.97Å; Q142-Q145 PolarHBondContact O-N 3.47Å; Q142-E146 PolarHBondContact O-N 3.12Å |
| 143 | D | 83.9 | Confident | 78.8 | Confident | 120 Ų | 120 | 107.6 Ų | 107.6 | 64% | 0.642 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.9 | -39.8 | 173.4 | -66.3 | -5.7 | 0 | 0 | 0 | 111.3 | Q145 E146 Q147 | D143-Q145 VanDerWaalsContact C-N 3.35Å; D143-E146 PolarHBondContact O-N 3.28Å; D143-Q147 WeakPolarHBondContact O-CG 3.47Å; D143-Q147 PolarHBondContact O-N 3.14Å |
| 144 | L | 84.4 | Confident | 80.3 | Confident | 105 Ų | 105 | 106.9 Ų | 106.9 | 55% | 0.55 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 177.2 | -175.3 | 127.9 | 0 | 0 | 0 | 111.6 | G141 Q142 Q147 L148 | G141-L144 PolarHBondContact O-N 3.3Å; Q142-L144 VanDerWaalsContact C-N 3.31Å; Q142-L144 PolarHBondContact O-N 2.97Å; L144-Q147 PolarHBondContact O-N 3.25Å; L144-L148 HydrophobicContact CD2-CD1 3.77Å; L144-L148 HydrophobicContact CG-CD1 4.48Å; L144-L148 WeakPolarHBondContact O-CB 3.33Å; L144-L148 WeakPolarHBondContact O-CG 3.38Å; L144-L148 PolarHBondContact O-N 3.3Å |
| 145 | Q | 86.5 | Confident | 81.8 | Confident | 94 Ų | 94 | 99.7 Ų | 99.7 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 175.4 | -171.6 | 175 | 8.6 | 0 | 0 | 111.8 | L131 G141 Q142 D143 L148 A149 | L131-Q145 HydrophobicContact CD2-CG 3.99Å; G141-Q145 VanDerWaalsContact O-CB 3.28Å; G141-Q145 WeakPolarHBondContact O-CB 3.42Å; G141-Q145 PolarHBondContact O-N 3.27Å; Q142-Q145 PolarHBondContact O-N 3.47Å; D143-Q145 VanDerWaalsContact C-N 3.35Å; Q145-L148 PolarHBondContact O-N 3.49Å; Q145-A149 WeakPolarHBondContact O-CB 3.43Å; Q145-A149 PolarHBondContact O-N 2.91Å |
| 146 | E | 88.8 | Confident | 83.4 | Confident | 128 Ų | 128 | 95.2 Ų | 95.2 | 60% | 0.598 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.5 | -43.3 | 173.8 | -174.4 | 168.9 | -165.2 | 0 | 0 | 111.4 | Q142 D143 A149 E150 | Q142-E146 PolarHBondContact O-N 3.12Å; D143-E146 PolarHBondContact O-N 3.28Å; E146-A149 PolarHBondContact O-N 2.95Å; E146-E150 WeakPolarHBondContact O-CB 3.35Å; E146-E150 PolarHBondContact O-N 3.34Å |
| 147 | Q | 91 | Very high | 85 | Confident | 134 Ų | 134 | 96.1 Ų | 96.1 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.1 | -41.5 | 174.7 | -74.5 | -179 | -17.9 | 0 | 0 | 112.8 | D143 L144 E150 G151 | D143-Q147 WeakPolarHBondContact O-CG 3.47Å; D143-Q147 PolarHBondContact O-N 3.14Å; L144-Q147 PolarHBondContact O-N 3.25Å; Q147-E150 PolarHBondContact O-N 2.95Å; Q147-G151 PolarHBondContact O-N 3.29Å |
| 148 | L | 91.3 | Very high | 86.6 | Confident | 31 Ų | 31 | 92.5 Ų | 92.5 | 16% | 0.162 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 175.7 | -76.2 | 170.8 | 0 | 0 | 0 | 112.1 | L127 L130 L131 L144 Q145 G151 C152 | L127-L148 HydrophobicContact CD2-CD2 3.73Å; L130-L148 HydrophobicContact CB-CD1 4.21Å; L130-L148 HydrophobicContact CB-CD2 4.31Å; L130-L148 HydrophobicContact CD1-CD2 4.17Å; L131-L148 HydrophobicContact CD2-CB 3.6Å; L131-L148 HydrophobicContact CG-CB 3.94Å; L144-L148 HydrophobicContact CD2-CD1 3.77Å; L144-L148 HydrophobicContact CG-CD1 4.48Å; L144-L148 WeakPolarHBondContact O-CB 3.33Å; L144-L148 WeakPolarHBondContact O-CG 3.38Å; L144-L148 PolarHBondContact O-N 3.3Å; Q145-L148 PolarHBondContact O-N 3.49Å; L148-G151 PolarHBondContact O-N 3.33Å; L148-C152 PolarHBondContact O-N 2.92Å; L148-C152 PolarHBondContact O-SG 2.98Å; L148-C152 VanDerWaalsContact O-SG 3.33Å |
| 149 | A | 91.3 | Very high | 88.1 | Confident | 32 Ų | 32 | 84.5 Ų | 84.5 | 26% | 0.264 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L131 Q145 E146 C152 R153 | L131-A149 HydrophobicContact CD1-CB 4.45Å; L131-A149 HydrophobicContact CD2-CB 4.43Å; Q145-A149 WeakPolarHBondContact O-CB 3.43Å; Q145-A149 PolarHBondContact O-N 2.91Å; E146-A149 PolarHBondContact O-N 2.95Å; A149-C152 PolarHBondContact O-N 3.43Å; A149-R153 WeakPolarHBondContact O-CG 3.41Å; A149-R153 PolarHBondContact O-N 3.38Å; A149-R153 VanDerWaalsContact O-N 3.11Å |
| 150 | E | 94.8 | Very high | 89.4 | Confident | 93 Ų | 93 | 85.4 Ų | 85.4 | 44% | 0.435 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 171.5 | -174.1 | 167.5 | -156.3 | 0 | 0 | 112 | E146 Q147 C152 R153 L154 | E146-E150 WeakPolarHBondContact O-CB 3.35Å; E146-E150 PolarHBondContact O-N 3.34Å; Q147-E150 PolarHBondContact O-N 2.95Å; E150-C152 VanDerWaalsContact C-N 3.3Å; E150-C152 PolarHBondContact O-N 2.94Å; E150-R153 WeakPolarHBondContact O-CB 3.34Å; E150-R153 PolarHBondContact O-N 2.89Å; E150-R153 VanDerWaalsContact O-N 3.13Å; E150-L154 HydrophobicContact CG-CD1 4.21Å; E150-L154 HydrophobicContact CG-CG 4.46Å; E150-L154 WeakPolarHBondContact O-CG 3.48Å; E150-L154 PolarHBondContact O-N 3.49Å |
| 151 | G | 95.3 | Very high | 90.9 | Very high | 20 Ų | 20 | 84.3 Ų | 84.3 | 21% | 0.206 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -55.4 | -43.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q147 L148 L154 A155 | Q147-G151 PolarHBondContact O-N 3.29Å; L148-G151 PolarHBondContact O-N 3.33Å; G151-L154 PolarHBondContact O-N 3.32Å; G151-A155 WeakPolarHBondContact O-CB 3.46Å; G151-A155 PolarHBondContact O-N 3.48Å |
| 152 | C | 94.2 | Very high | 91.9 | Very high | 12 Ų | 12 | 85 Ų | 85 | 8% | 0.081 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 174.8 | -67.8 | 0 | 0 | 0 | 0 | 112.1 | N124 L127 L131 L148 A149 E150 L154 A155 Q156 | N124-C152 PolarHBondContact OD1-O 3.04Å; L127-C152 WeakPolarHBondContact CB-SG 3.33Å; L131-C152 HydrophobicContact CD1-CB 4.39Å; L131-C152 WeakPolarHBondContact CD1-SG 3.32Å; L148-C152 PolarHBondContact O-N 2.92Å; L148-C152 PolarHBondContact O-SG 2.98Å; L148-C152 VanDerWaalsContact O-SG 3.33Å; A149-C152 PolarHBondContact O-N 3.43Å; E150-C152 VanDerWaalsContact C-N 3.3Å; E150-C152 PolarHBondContact O-N 2.94Å; C152-L154 VanDerWaalsContact C-N 3.29Å; C152-L154 PolarHBondContact O-N 3.47Å; C152-A155 PolarHBondContact O-N 3.3Å; C152-Q156 WeakPolarHBondContact O-CB 3.38Å; C152-Q156 PolarHBondContact O-N 3.5Å |
| 153 | R | 96.1 | Very high | 92.4 | Very high | 140 Ų | 140 | 80.6 Ų | 80.6 | 53% | 0.528 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.3 | -43.2 | 177 | -68.7 | -170.8 | -56.3 | -102.1 | 4.3 | 111.3 | A149 E150 H157 | A149-R153 WeakPolarHBondContact O-CG 3.41Å; A149-R153 PolarHBondContact O-N 3.38Å; A149-R153 VanDerWaalsContact O-N 3.11Å; E150-R153 WeakPolarHBondContact O-CB 3.34Å; E150-R153 PolarHBondContact O-N 2.89Å; E150-R153 VanDerWaalsContact O-N 3.13Å; R153-H157 WeakPolarHBondContact O-CB 3.45Å; R153-H157 PolarHBondContact O-N 3.11Å |
| 154 | L | 97 | Very high | 92.1 | Very high | 101 Ų | 101 | 79.5 Ų | 79.5 | 53% | 0.529 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.1 | -44.4 | 179.3 | -68.4 | 174.3 | 0 | 0 | 0 | 112.3 | E150 G151 C152 Q156 H157 L158 | E150-L154 HydrophobicContact CG-CD1 4.21Å; E150-L154 HydrophobicContact CG-CG 4.46Å; E150-L154 WeakPolarHBondContact O-CG 3.48Å; E150-L154 PolarHBondContact O-N 3.49Å; G151-L154 PolarHBondContact O-N 3.32Å; C152-L154 VanDerWaalsContact C-N 3.29Å; C152-L154 PolarHBondContact O-N 3.47Å; L154-Q156 VanDerWaalsContact C-N 3.35Å; L154-Q156 PolarHBondContact O-N 3.06Å; L154-H157 PolarHBondContact O-N 3.13Å; L154-L158 WeakPolarHBondContact O-CG 3.35Å; L154-L158 PolarHBondContact O-N 3.35Å |
| 155 | A | 96.9 | Very high | 91.4 | Very high | 2 Ų | 2 | 84.1 Ų | 84.1 | 2% | 0.017 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L123 N124 L127 G151 C152 L158 V159 | L123-A155 HydrophobicContact CD2-CB 4.32Å; L123-A155 HydrophobicContact CG-CB 4.36Å; N124-A155 HydrophobicContact CB-CB 3.75Å; L127-A155 HydrophobicContact CD1-CB 4.45Å; G151-A155 WeakPolarHBondContact O-CB 3.46Å; G151-A155 PolarHBondContact O-N 3.48Å; C152-A155 PolarHBondContact O-N 3.3Å; A155-L158 WeakPolarHBondContact O-CB 3.49Å; A155-L158 PolarHBondContact O-N 2.99Å; A155-V159 WeakPolarHBondContact O-CG2 3.42Å; A155-V159 PolarHBondContact O-N 2.89Å; A155-V159 VanDerWaalsContact O-N 3.12Å |
| 156 | Q | 95.1 | Very high | 89.9 | Confident | 101 Ų | 101 | 86.4 Ų | 86.4 | 47% | 0.472 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 174.5 | -170.5 | 170.7 | 24.6 | 0 | 0 | 112.3 | C152 L154 L158 V159 Q160 | C152-Q156 WeakPolarHBondContact O-CB 3.38Å; C152-Q156 PolarHBondContact O-N 3.5Å; L154-Q156 VanDerWaalsContact C-N 3.35Å; L154-Q156 PolarHBondContact O-N 3.06Å; Q156-L158 VanDerWaalsContact C-N 3.33Å; Q156-L158 PolarHBondContact O-N 3Å; Q156-V159 WeakPolarHBondContact O-CB 3.49Å; Q156-V159 PolarHBondContact O-N 3.47Å; Q156-Q160 PolarHBondContact O-N 3.28Å; Q156-Q160 VanDerWaalsContact O-N 3.14Å |
| 157 | H | 95.7 | Very high | 88.3 | Confident | 99 Ų | 99 | 86.8 Ų | 86.8 | 46% | 0.458 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64 | -36.4 | 174.7 | -178.9 | -99.6 | 0 | 0 | 0 | 112.3 | R153 L154 Q160 K161 | R153-H157 WeakPolarHBondContact O-CB 3.45Å; R153-H157 PolarHBondContact O-N 3.11Å; L154-H157 PolarHBondContact O-N 3.13Å; H157-Q160 PolarHBondContact O-N 3.37Å; H157-K161 WeakPolarHBondContact O-CB 3.1Å; H157-K161 PolarHBondContact O-N 2.62Å |
| 158 | L | 95.2 | Very high | 86.2 | Confident | 78 Ų | 78 | 87.4 Ų | 87.4 | 41% | 0.408 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 172.8 | -74.9 | 168.8 | 0 | 0 | 0 | 112.3 | L154 A155 Q156 Q160 K161 L162 | L154-L158 WeakPolarHBondContact O-CG 3.35Å; L154-L158 PolarHBondContact O-N 3.35Å; A155-L158 WeakPolarHBondContact O-CB 3.49Å; A155-L158 PolarHBondContact O-N 2.99Å; Q156-L158 VanDerWaalsContact C-N 3.33Å; Q156-L158 PolarHBondContact O-N 3Å; L158-Q160 VanDerWaalsContact C-N 3.32Å; L158-Q160 PolarHBondContact O-N 2.94Å; L158-K161 PolarHBondContact O-N 3.36Å; L158-L162 WeakPolarHBondContact O-CB 3.28Å; L158-L162 VanDerWaalsContact O-CG 3.24Å; L158-L162 WeakPolarHBondContact O-CG 3.36Å; L158-L162 PolarHBondContact O-N 3.34Å |
| 159 | V | 95.1 | Very high | 84.1 | Confident | 30 Ų | 30 | 92.3 Ų | 92.3 | 18% | 0.182 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 174.6 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | R117 R121 A155 Q156 S163 | R117-V159 HydrophobicContact CG-CG1 4.05Å; R121-V159 HydrophobicContact CB-CG2 4.31Å; A155-V159 WeakPolarHBondContact O-CG2 3.42Å; A155-V159 PolarHBondContact O-N 2.89Å; A155-V159 VanDerWaalsContact O-N 3.12Å; Q156-V159 WeakPolarHBondContact O-CB 3.49Å; Q156-V159 PolarHBondContact O-N 3.47Å; V159-S163 PolarHBondContact O-N 3.13Å; V159-S163 VanDerWaalsContact O-N 3.1Å; V159-S163 PolarHBondContact O-OG 3.07Å |
| 160 | Q | 92.6 | Very high | 82.1 | Confident | 126 Ų | 126 | 98 Ų | 98 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.8 | -45.7 | 177.3 | -69.3 | 172.9 | -3.6 | 0 | 0 | 111.4 | Q156 H157 L158 L162 S163 | Q156-Q160 PolarHBondContact O-N 3.28Å; Q156-Q160 VanDerWaalsContact O-N 3.14Å; H157-Q160 PolarHBondContact O-N 3.37Å; L158-Q160 VanDerWaalsContact C-N 3.32Å; L158-Q160 PolarHBondContact O-N 2.94Å; Q160-L162 VanDerWaalsContact C-N 3.31Å; Q160-L162 PolarHBondContact O-N 3.36Å; Q160-S163 VanDerWaalsContact O-CB 3.32Å; Q160-S163 WeakPolarHBondContact O-CB 3.34Å; Q160-S163 PolarHBondContact O-N 2.84Å; Q160-S163 VanDerWaalsContact O-N 3.1Å |
| 161 | K | 93.3 | Very high | 80.1 | Confident | 157 Ų | 157 | 99.8 Ų | 99.8 | 68% | 0.683 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.9 | -30.4 | -179.1 | -163.6 | 176.3 | -141 | -177.8 | 0 | 113.9 | H157 L158 S163 | H157-K161 WeakPolarHBondContact O-CB 3.1Å; H157-K161 PolarHBondContact O-N 2.62Å; L158-K161 PolarHBondContact O-N 3.36Å; K161-S163 VanDerWaalsContact C-N 3.33Å |
| 162 | L | 92.7 | Very high | 78 | Confident | 43 Ų | 43 | 106.4 Ų | 106.4 | 23% | 0.225 | 54% | 0.539 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -2.8 | 176.3 | -63.8 | 173.3 | 0 | 0 | 0 | 112.4 | L113 R117 L158 Q160 | L113-L162 HydrophobicContact CD2-CD2 3.61Å; R117-L162 HydrophobicContact CB-CB 4.03Å; R117-L162 HydrophobicContact CB-CD1 4.5Å; R117-L162 HydrophobicContact CG-CB 4.38Å; R117-L162 VanDerWaalsContact CZ-O 3.31Å; R117-L162 PolarHBondContact NE-O 2.87Å; R117-L162 PolarHBondContact NH2-O 2.89Å; L158-L162 WeakPolarHBondContact O-CB 3.28Å; L158-L162 VanDerWaalsContact O-CG 3.24Å; L158-L162 WeakPolarHBondContact O-CG 3.36Å; L158-L162 PolarHBondContact O-N 3.34Å; Q160-L162 VanDerWaalsContact C-N 3.31Å; Q160-L162 PolarHBondContact O-N 3.36Å |
| 163 | S | 89 | Confident | 75.9 | Confident | 46 Ų | 46 | 113 Ų | 113 | 32% | 0.322 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -76.1 | 148.1 | 170.6 | -63.2 | 0 | 0 | 0 | 0 | 109.5 | V159 Q160 K161 E165 | V159-S163 PolarHBondContact O-N 3.13Å; V159-S163 VanDerWaalsContact O-N 3.1Å; V159-S163 PolarHBondContact O-OG 3.07Å; Q160-S163 VanDerWaalsContact O-CB 3.32Å; Q160-S163 WeakPolarHBondContact O-CB 3.34Å; Q160-S163 PolarHBondContact O-N 2.84Å; Q160-S163 VanDerWaalsContact O-N 3.1Å; K161-S163 VanDerWaalsContact C-N 3.33Å; S163-E165 PolarHBondContact O-N 3.42Å |
| 164 | P | 77.6 | Confident | 73.5 | Confident | 98 Ų | 98 | 111.8 Ų | 111.8 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | trans | -62.6 | 133.5 | 176 | -6.6 | 25.3 | 0 | 0 | 0 | 107.4 | R117 N166 | R117-P164 VanDerWaalsContact NH2-CD 3.34Å; P164-N166 PolarHBondContact O-N 3.11Å | ||
| 165 | E | 69.8 | Low | 71 | Confident | 201 Ų | 201 | 115 Ų | 115 | 94% | 0.939 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -82 | 107 | 171.7 | -166.9 | 138.8 | -157.8 | 0 | 0 | 107.2 | S163 | S163-E165 PolarHBondContact O-N 3.42Š|
| 166 | N | 54.8 | Low | 68.6 | Low | 142 Ų | 142 | 120.7 Ų | 120.7 | 76% | 0.759 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 113.2 | 123.9 | 173.5 | -161.4 | 35.7 | 0 | 0 | 0 | 115.8 | P164 | P164-N166 PolarHBondContact O-N 3.11Š|
| 167 | D | 55.4 | Low | 66.2 | Low | 137 Ų | 137 | 124 Ų | 124 | 73% | 0.733 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -66.8 | 153.8 | 166.8 | -66.6 | -57 | 0 | 0 | 0 | 111 | ||
| 168 | N | 46.5 | Very low | 64.1 | Low | 147 Ų | 147 | 124.8 Ų | 124.8 | 79% | 0.786 | 65% | 0.654 | S | S | * | * | trans | 88.6 | 60 | -178.9 | -44.4 | -69.1 | 0 | 0 | 0 | 116.3 | ||||
| 169 | D | 48.6 | Very low | 61.6 | Low | 133 Ų | 133 | 124.8 Ų | 124.8 | 71% | 0.711 | 67% | 0.666 | S | S | * | * | trans | -104.5 | 89.7 | 141.8 | -83.7 | -26.4 | 0 | 0 | 0 | 106.1 | D171 | D169-D171 PolarHBondContact O-N 3.25Š| ||
| 170 | D | 48.4 | Very low | 59.4 | Low | 153 Ų | 153 | 131.6 Ų | 131.6 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | trans | -62 | 81.8 | 148.6 | -87.7 | -31.9 | 0 | 0 | 0 | 105.3 | E172 | D170-E172 PolarHBondContact O-N 3.33Š| ||
| 171 | D | 52.9 | Low | 57.1 | Low | 129 Ų | 129 | 134.5 Ų | 134.5 | 69% | 0.69 | 71% | 0.706 | S | S | * | * | trans | -68.8 | 63 | 165.1 | -74.9 | -35.9 | 0 | 0 | 0 | 107.8 | D169 D173 | D169-D171 PolarHBondContact O-N 3.25Å; D171-D173 VanDerWaalsContact C-N 3.28Å; D171-D173 PolarHBondContact O-N 2.97Å; D171-D173 VanDerWaalsContact O-N 3.11Å | ||
| 172 | E | 50.2 | Low | 54.8 | Low | 159 Ų | 159 | 133 Ų | 133 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | trans | -66.8 | 102.9 | 149.6 | -73.9 | -70.5 | 165.8 | 0 | 0 | 104.6 | D170 V174 | D170-E172 PolarHBondContact O-N 3.33Å; E172-V174 PolarHBondContact O-N 2.86Å | ||
| 173 | D | 51.5 | Low | 52.2 | Low | 150 Ų | 150 | 139.1 Ų | 139.1 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | trans | -49.9 | 80.2 | 166 | -88.7 | -35.2 | 0 | 0 | 0 | 109.1 | D171 Q175 | D171-D173 VanDerWaalsContact C-N 3.28Å; D171-D173 PolarHBondContact O-N 2.97Å; D171-D173 VanDerWaalsContact O-N 3.11Å; D173-Q175 PolarHBondContact O-N 2.9Å | ||
| 174 | V | 44.8 | Very low | 50 | Low | 116 Ų | 116 | 146.2 Ų | 146.2 | 70% | 0.703 | 76% | 0.763 | S | S | * | * | trans | -72.6 | 87.5 | 161.4 | -177.9 | 0 | 0 | 0 | 0 | 104.1 | E172 V176 | E172-V174 PolarHBondContact O-N 2.86Å; V174-V176 PolarHBondContact O-N 3.43Å | ||
| 175 | Q | 43.9 | Very low | 48.1 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -47.2 | 102.9 | 153 | -69.6 | -174 | 7.7 | 0 | 0 | 105.8 | D173 E177 | D173-Q175 PolarHBondContact O-N 2.9Å; Q175-E177 PolarHBondContact O-N 3.37Å | ||
| 176 | V | 48.2 | Very low | 46.5 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | trans | -68.5 | 85.7 | 169.1 | -173.8 | 0 | 0 | 0 | 0 | 104.3 | V174 V178 | V174-V176 PolarHBondContact O-N 3.43Å; V176-V178 VanDerWaalsContact C-N 3.35Å; V176-V178 PolarHBondContact O-N 2.92Å | ||
| 177 | E | 44.6 | Very low | 45.5 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | -49.2 | 109.5 | 162.2 | -93.6 | -167.1 | 146.9 | 0 | 0 | 105.3 | Q175 A179 | Q175-E177 PolarHBondContact O-N 3.37Å; E177-A179 PolarHBondContact O-N 3.36Å | ||
| 178 | V | 51.6 | Low | 44.9 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | trans | -61.3 | 87.9 | 169.5 | 175.4 | 0 | 0 | 0 | 0 | 105.7 | V176 E180 | V176-V178 VanDerWaalsContact C-N 3.35Å; V176-V178 PolarHBondContact O-N 2.92Å; V178-E180 PolarHBondContact O-N 3.4Å | ||
| 179 | A | 42.8 | Very low | 44.6 | Very low | 79 Ų | 79 | 146 Ų | 146 | 65% | 0.653 | 78% | 0.782 | S | S | * | * | trans | -75.1 | 78.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | E177 K181 | E177-A179 PolarHBondContact O-N 3.36Å; A179-K181 PolarHBondContact O-N 3.27Å | ||
| 180 | E | 48.8 | Very low | 44 | Very low | 173 Ų | 173 | 147.8 Ų | 147.8 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | -62.3 | 82.6 | 153.1 | -167.8 | -177.7 | -175.6 | 0 | 0 | 107.5 | V178 | V178-E180 PolarHBondContact O-N 3.4Š| ||
| 181 | K | 44.5 | Very low | 43.2 | Very low | 186 Ų | 186 | 148.7 Ų | 148.7 | 81% | 0.809 | 79% | 0.788 | S | S | * | * | trans | -116 | 74.8 | 166.4 | -73.1 | -173.5 | -178.2 | 173.9 | 0 | 109 | A179 Q183 | A179-K181 PolarHBondContact O-N 3.27Å; K181-Q183 VanDerWaalsContact C-N 3.33Å; K181-Q183 PolarHBondContact O-N 2.87Å; K181-Q183 VanDerWaalsContact O-N 3.1Å | ||
| 182 | V | 44.2 | Very low | 42.2 | Very low | 126 Ų | 126 | 151.8 Ų | 151.8 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -60.6 | 100.1 | 146.5 | 174.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 183 | Q | 37.6 | Very low | 41.9 | Very low | 171 Ų | 171 | 154.4 Ų | 154.4 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | trans | -163.7 | 112.9 | 150.4 | -112.7 | 168.8 | 57 | 0 | 0 | 113.1 | K181 | K181-Q183 VanDerWaalsContact C-N 3.33Å; K181-Q183 PolarHBondContact O-N 2.87Å; K181-Q183 VanDerWaalsContact O-N 3.1Å | ||
| 184 | K | 42.4 | Very low | 41.2 | Very low | 196 Ų | 196 | 151.8 Ų | 151.8 | 85% | 0.852 | 81% | 0.806 | S | S | * | * | trans | 52.3 | 97.2 | 139.6 | -83 | 167.6 | 171.4 | 166.5 | 0 | 118 | ||||
| 185 | S | 38 | Very low | 40.9 | Very low | 122 Ų | 122 | 154 Ų | 154 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | -144.9 | 106.2 | 126.4 | 60 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 186 | S | 37.8 | Very low | 40.6 | Very low | 120 Ų | 120 | 154.5 Ų | 154.5 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -71.3 | 129.9 | 163.5 | -57.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 187 | A | 32.6 | Very low | 40.4 | Very low | 91 Ų | 91 | 157.5 Ų | 157.5 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | 169.4 | 138.4 | 120.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 188 | P | 42.9 | Very low | 40 | Very low | 131 Ų | 131 | 157.2 Ų | 157.2 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | trans | -87.8 | 140.7 | -175 | 34.7 | -30.7 | 0 | 0 | 0 | 111.3 | ||||
| 189 | R | 40 | Very low | 39.4 | Very low | 255 Ų | 255 | 157.3 Ų | 157.3 | 96% | 0.962 | 81% | 0.814 | S | S | * | * | trans | -112.3 | 109.7 | 165.8 | -143.6 | 177.7 | -169.9 | -172.5 | 2 | 109.6 | ||||
| 190 | E | 37 | Very low | 39.6 | Very low | 172 Ų | 172 | 159 Ų | 159 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -74 | 159.5 | 172.5 | -155.1 | 176.5 | -176.8 | 0 | 0 | 110.6 | ||||
| 191 | M | 30.7 | Very low | 39.4 | Very low | 171 Ų | 171 | 159.3 Ų | 159.3 | 84% | 0.842 | 82% | 0.819 | S | S | * | * | trans | 75.8 | 107.5 | 170.4 | -76.2 | 177.4 | 163.1 | 0 | 0 | 117.8 | ||||
| 192 | Q | 33 | Very low | 38.9 | Very low | 194 Ų | 194 | 158.1 Ų | 158.1 | 91% | 0.907 | 82% | 0.822 | S | S | * | * | -167.6 | 128.2 | 87.2 | -94.5 | 173.7 | -17.1 | 0 | 0 | 111.8 | |||||
| 193 | K | 43.6 | Very low | 39 | Very low | 214 Ų | 214 | 157.9 Ų | 157.9 | 93% | 0.93 | 83% | 0.826 | S | S | * | * | trans | -70.1 | 129.6 | 159.8 | -90.2 | 178.6 | 167.1 | -177.1 | 0 | 108.5 | ||||
| 194 | A | 36.3 | Very low | 39.3 | Very low | 95 Ų | 95 | 157.9 Ų | 157.9 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | trans | -147.3 | 98 | 153.7 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 195 | E | 39.3 | Very low | 39.2 | Very low | 163 Ų | 163 | 157.3 Ų | 157.3 | 76% | 0.762 | 83% | 0.831 | S | S | * | * | 81.2 | 97 | 99.5 | -159.7 | 177.3 | 155.1 | 0 | 0 | 110.5 | |||||
| 196 | E | 36.6 | Very low | 39.2 | Very low | 179 Ų | 179 | 159.7 Ų | 159.7 | 84% | 0.836 | 83% | 0.828 | S | S | * | * | trans | -48.9 | 125.3 | 162.8 | -174.9 | 175.5 | -158.9 | 0 | 0 | 110.4 | ||||
| 197 | K | 44.4 | Very low | 39.1 | Very low | 183 Ų | 183 | 160.1 Ų | 160.1 | 80% | 0.796 | 83% | 0.83 | S | S | * | * | trans | -128.1 | 110.6 | 158.7 | -70.7 | -159.4 | 176.4 | -170.9 | 0 | 109.3 | ||||
| 198 | E | 36.7 | Very low | 39.5 | Very low | 165 Ų | 165 | 159.8 Ų | 159.8 | 77% | 0.771 | 83% | 0.827 | S | S | * | * | trans | -64.9 | 138.1 | 164.6 | -105.1 | -170.6 | 121.9 | 0 | 0 | 111.8 | ||||
| 199 | V | 38 | Very low | 39.6 | Very low | 118 Ų | 118 | 161.1 Ų | 161.1 | 72% | 0.715 | 83% | 0.825 | S | S | * | * | trans | 78 | 149.2 | 133.6 | 176.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 200 | P | 46.5 | Very low | 39.5 | Very low | 113 Ų | 113 | 154.1 Ų | 154.1 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | cis | -124.9 | 167.5 | 7.6 | 17.9 | 7.5 | 0 | 0 | 0 | 116.9 | ||||
| 201 | E | 45 | Very low | 39.3 | Very low | 181 Ų | 181 | 157.1 Ų | 157.1 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -48.5 | 139.2 | 158.2 | -62.4 | 174.2 | 142.9 | 0 | 0 | 112.7 | ||||
| 202 | D | 33.7 | Very low | 39.6 | Very low | 160 Ų | 160 | 154.3 Ų | 154.3 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | -178.8 | 110.3 | 138.8 | -100.1 | -20 | 0 | 0 | 0 | 110.2 | ||||
| 203 | S | 46.3 | Very low | 39.7 | Very low | 122 Ų | 122 | 151.9 Ų | 151.9 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -179.9 | 85.8 | 139.9 | 54.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 204 | L | 45.3 | Very low | 39.7 | Very low | 170 Ų | 170 | 147.3 Ų | 147.3 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -65.2 | 126.6 | 152.6 | -72.1 | 165.9 | 0 | 0 | 0 | 107.9 | ||||
| 205 | E | 38.9 | Very low | 39.8 | Very low | 185 Ų | 185 | 151.4 Ų | 151.4 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -135.4 | 113.5 | 150.8 | -166 | 75.1 | -156 | 0 | 0 | 108 | ||||
| 206 | E | 38.5 | Very low | 39.7 | Very low | 171 Ų | 171 | 147 Ų | 147 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | trans | -78.5 | 126.8 | 173.9 | 173.1 | -172.4 | -178.5 | 0 | 0 | 108.5 | ||||
| 207 | C | 36.7 | Very low | 40.3 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | -157.5 | 113.2 | 149.5 | -110.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 208 | A | 40.4 | Very low | 40.1 | Very low | 84 Ų | 84 | 145.4 Ų | 145.4 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | trans | -57.1 | 147.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 209 | I | 44.3 | Very low | 40.1 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | trans | -134.8 | 118.5 | 131.1 | -56.9 | -176.2 | 0 | 0 | 0 | 108.9 | ||||
| 210 | T | 37.8 | Very low | 40.3 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | trans | -61.2 | 139.5 | 171.5 | 49.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 211 | Y | 34.5 | Very low | 40 | Very low | 234 Ų | 234 | 143.1 Ų | 143.1 | 92% | 0.918 | 79% | 0.793 | S | S | * | * | trans | -138.8 | 111.5 | 140.3 | -95.7 | -81.5 | 0 | 0 | 0 | 109.7 | ||||
| 212 | S | 35 | Very low | 40.2 | Very low | 112 Ų | 112 | 142 Ų | 142 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -83.5 | 135.2 | 176.6 | -91.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 213 | N | 36.5 | Very low | 40.7 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | trans | 31 | 129.4 | 140.4 | -82.4 | -9 | 0 | 0 | 0 | 121.3 | ||||
| 214 | S | 42.3 | Very low | 40.4 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | -132.8 | 115.3 | 127.5 | 64.9 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 215 | H | 40.1 | Very low | 40.2 | Very low | 181 Ų | 181 | 143.5 Ų | 143.5 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -56.3 | 130.5 | 168.9 | -104.3 | -57.6 | 0 | 0 | 0 | 111.6 | ||||
| 216 | G | 36.3 | Very low | 40.2 | Very low | 71 Ų | 71 | 143.1 Ų | 143.1 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | trans | -126.8 | 113.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 217 | S | 48.1 | Very low | 40.2 | Very low | 119 Ų | 119 | 141 Ų | 141 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -61.4 | 127.8 | 175.9 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 218 | Y | 41.5 | Very low | 40.5 | Very low | 209 Ų | 209 | 143.7 Ų | 143.7 | 82% | 0.82 | 76% | 0.763 | S | S | * | * | trans | -145.7 | 108.5 | 158.3 | -153.4 | -101.5 | 0 | 0 | 0 | 111.3 | ||||
| 219 | D | 37.2 | Very low | 40.6 | Very low | 141 Ų | 141 | 147.2 Ų | 147.2 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | -86 | 114.9 | 162.9 | 173.4 | 24.9 | 0 | 0 | 0 | 108.4 | ||||
| 220 | S | 41.6 | Very low | 40.2 | Very low | 68 Ų | 68 | 145 Ų | 145 | 48% | 0.476 | 76% | 0.762 | S | S | . | * | trans | 176.7 | 116.3 | 147.8 | -102.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 221 | N | 40 | Very low | 40.2 | Very low | 139 Ų | 139 | 148.4 Ų | 148.4 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | 61.7 | 105 | 133.5 | -58.6 | -54 | 0 | 0 | 0 | 119.5 | ||||
| 222 | Q | 49 | Very low | 40.6 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | -45.7 | 151 | 152.7 | -78.8 | -170.5 | -21.7 | 0 | 0 | 112.6 | H224 | Q222-H224 PolarHBondContact NE2-CE1 2.93Å; Q222-H224 PolarHBondContact OE1-CE1 3.47Å; Q222-H224 PolarHBondContact OE1-ND1 3.31Å | ||
| 223 | P | 43.4 | Very low | 41.2 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | -129.7 | 131.7 | 121.8 | 28.6 | -14.9 | 0 | 0 | 0 | 112.1 | R225 | P223-R225 PolarHBondContact O-N 3.49Š| |||
| 224 | H | 41.9 | Very low | 41.3 | Very low | 123 Ų | 123 | 147.4 Ų | 147.4 | 57% | 0.569 | 76% | 0.759 | S | S | * | * | trans | -56.9 | 123 | 164.5 | -71.5 | 0.5 | 0 | 0 | 0 | 111 | Q222 | Q222-H224 PolarHBondContact NE2-CE1 2.93Å; Q222-H224 PolarHBondContact OE1-CE1 3.47Å; Q222-H224 PolarHBondContact OE1-ND1 3.31Å | ||
| 225 | R | 39.2 | Very low | 41.4 | Very low | 239 Ų | 239 | 150.5 Ų | 150.5 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | trans | -120.5 | 88.4 | 152.4 | -80.7 | -169.2 | 162.5 | 178 | -3.8 | 109.1 | P223 | P223-R225 PolarHBondContact O-N 3.49Š| ||
| 226 | K | 39.3 | Very low | 41.5 | Very low | 177 Ų | 177 | 147.2 Ų | 147.2 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -77.5 | 108.8 | 160.1 | -70.7 | 175.4 | 178.7 | 174.5 | 0 | 106.9 | ||||
| 227 | T | 38.8 | Very low | 41.7 | Very low | 127 Ų | 127 | 150.2 Ų | 150.2 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | trans | -101.2 | 88.9 | 157.4 | -49.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 228 | K | 42.2 | Very low | 41.4 | Very low | 186 Ų | 186 | 150.3 Ų | 150.3 | 81% | 0.809 | 75% | 0.75 | S | S | * | * | trans | -98.2 | 106.6 | 170.5 | -142.5 | 178.4 | -171.8 | -172.2 | 0 | 105.4 | T230 | K228-T230 PolarHBondContact O-N 2.9Š| ||
| 229 | I | 43.7 | Very low | 41.3 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | trans | -71.4 | 109.1 | 172.7 | -63.2 | 164.8 | 0 | 0 | 0 | 105.9 | ||||
| 230 | T | 36.2 | Very low | 41.5 | Very low | 113 Ų | 113 | 148 Ų | 148 | 69% | 0.693 | 76% | 0.756 | S | S | * | * | trans | -85.5 | 114.5 | 170.3 | 45.5 | 0 | 0 | 0 | 0 | 108.2 | K228 | K228-T230 PolarHBondContact O-N 2.9Š| ||
| 231 | F | 38.3 | Very low | 41.6 | Very low | 180 Ų | 180 | 152.7 Ų | 152.7 | 79% | 0.789 | 77% | 0.774 | S | S | * | * | trans | -88 | 106 | 160.4 | -156.6 | -98.1 | 0 | 0 | 0 | 106.3 | E233 | F231-E233 HydrophobicContact CD1-CB 4.46Å; F231-E233 PolarHBondContact O-N 3.36Å | ||
| 232 | E | 42.9 | Very low | 41.3 | Very low | 170 Ų | 170 | 149.2 Ų | 149.2 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -82.8 | 104.9 | 172.1 | -156.7 | 76.1 | 179.9 | 0 | 0 | 106.1 | ||||
| 233 | E | 46.6 | Very low | 40.7 | Very low | 166 Ų | 166 | 147.4 Ų | 147.4 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -90.1 | 122.7 | 172.4 | -155.8 | 172.6 | 159.2 | 0 | 0 | 108.9 | F231 K235 | F231-E233 HydrophobicContact CD1-CB 4.46Å; F231-E233 PolarHBondContact O-N 3.36Å; E233-K235 PolarHBondContact O-N 2.98Å | ||
| 234 | D | 38.1 | Very low | 41 | Very low | 133 Ų | 133 | 147.4 Ų | 147.4 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -54.7 | 123.2 | -175.4 | -173.7 | 19.6 | 0 | 0 | 0 | 112.1 | V236 | D234-V236 PolarHBondContact O-N 3.41Š| ||
| 235 | K | 44.7 | Very low | 40.9 | Very low | 183 Ų | 183 | 146.9 Ų | 146.9 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -93.9 | 86.8 | 176.4 | -160.2 | -177.6 | -179.5 | -158.3 | 0 | 107.4 | E233 D237 | E233-K235 PolarHBondContact O-N 2.98Å; K235-D237 PolarHBondContact O-N 3.27Å; K235-D237 VanDerWaalsContact O-N 3.16Å | ||
| 236 | V | 41.9 | Very low | 41.2 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | trans | -73.8 | 103.1 | 171.3 | -79.5 | 0 | 0 | 0 | 0 | 110.3 | D234 | D234-V236 PolarHBondContact O-N 3.41Š| ||
| 237 | D | 40.7 | Very low | 41.4 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | trans | -61.4 | 128.7 | 156.5 | -81.8 | -35 | 0 | 0 | 0 | 108.8 | K235 | K235-D237 PolarHBondContact O-N 3.27Å; K235-D237 VanDerWaalsContact O-N 3.16Å | ||
| 238 | S | 41.9 | Very low | 41.5 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | -137 | 82 | 164.4 | -77.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 239 | T | 40.5 | Very low | 41.5 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | trans | -93 | 102.1 | 163.5 | -29 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 240 | L | 41.7 | Very low | 41.3 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 90% | 0.901 | 77% | 0.768 | S | S | * | * | trans | -149.7 | 131.1 | 158.7 | -156.4 | 80.9 | 0 | 0 | 0 | 111.4 | ||||
| 241 | I | 42.2 | Very low | 41.8 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -64.2 | 146.1 | -177.5 | -66.9 | 152.4 | 0 | 0 | 0 | 112.2 | ||||
| 242 | G | 34 | Very low | 41.8 | Very low | 66 Ų | 66 | 138.9 Ų | 138.9 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | trans | 171.1 | 88.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 243 | S | 37.5 | Very low | 41.9 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | trans | 66.6 | 110.5 | 143.6 | -58.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 244 | S | 48.1 | Very low | 42 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | 33.7 | 115.2 | 120.5 | -165.3 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 245 | S | 41.3 | Very low | 42.2 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | -161 | 118.2 | 121.7 | 49.4 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 246 | H | 44.8 | Very low | 42.5 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | trans | -74.1 | 116.1 | 167.7 | 176 | -100.2 | 0 | 0 | 0 | 107.8 | E248 | H246-E248 IonicContact CE1-OE2 2.76Å; H246-E248 IonicContact ND1-OE2 3.49Å | ||
| 247 | V | 42.8 | Very low | 43 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 70% | 0.697 | 76% | 0.757 | S | S | * | * | trans | -100.5 | 96.9 | 165.9 | 144.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 248 | E | 41.5 | Very low | 43.1 | Very low | 124 Ų | 124 | 137 Ų | 137 | 58% | 0.579 | 76% | 0.763 | S | S | * | * | trans | -68.6 | 121.6 | 167.4 | -149.4 | 164.2 | -168.7 | 0 | 0 | 107.7 | H246 E250 | H246-E248 IonicContact CE1-OE2 2.76Å; H246-E248 IonicContact ND1-OE2 3.49Å; E248-E250 VanDerWaalsContact C-N 3.28Å; E248-E250 HydrophobicContact CG-CG 4.18Å; E248-E250 PolarHBondContact O-N 2.97Å | ||
| 249 | W | 41.8 | Very low | 43 | Very low | 238 Ų | 238 | 138.3 Ų | 138.3 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | trans | -86.9 | 77.5 | 167.7 | -82.1 | 68.5 | 0 | 0 | 0 | 108.2 | ||||
| 250 | E | 41 | Very low | 43.3 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -92 | 106.4 | 155.2 | -69.7 | -172.6 | 155.6 | 0 | 0 | 107.3 | E248 | E248-E250 VanDerWaalsContact C-N 3.28Å; E248-E250 HydrophobicContact CG-CG 4.18Å; E248-E250 PolarHBondContact O-N 2.97Å | ||
| 251 | D | 45.9 | Very low | 43.6 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | trans | -127.1 | 126.1 | 157.9 | -168.3 | 23.2 | 0 | 0 | 0 | 109.3 | ||||
| 252 | A | 39 | Very low | 43.8 | Very low | 67 Ų | 67 | 138 Ų | 138 | 55% | 0.554 | 76% | 0.76 | S | S | * | * | trans | -76.6 | 137.8 | -163.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 253 | V | 44.2 | Very low | 44.1 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -128.5 | 87.1 | 138.4 | -172.3 | 0 | 0 | 0 | 0 | 107.8 | I255 | V253-I255 HydrophobicContact CG1-CG1 4.26Å; V253-I255 PolarHBondContact O-N 3.46Å | ||
| 254 | H | 49.2 | Very low | 44.5 | Very low | 177 Ų | 177 | 144 Ų | 144 | 82% | 0.819 | 76% | 0.761 | S | S | * | * | trans | -59.9 | 107.4 | 158.5 | -84.5 | -65 | 0 | 0 | 0 | 109.3 | ||||
| 255 | I | 41.6 | Very low | 44.4 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 67% | 0.667 | 76% | 0.76 | S | S | * | * | trans | -142.9 | 86.8 | 145.8 | -51.7 | -178 | 0 | 0 | 0 | 108.4 | V253 | V253-I255 HydrophobicContact CG1-CG1 4.26Å; V253-I255 PolarHBondContact O-N 3.46Å | ||
| 256 | I | 51.2 | Low | 44.5 | Very low | 145 Ų | 145 | 150.1 Ų | 150.1 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | trans | -93.1 | 144.3 | 148.8 | -65.1 | -174.9 | 0 | 0 | 0 | 106.3 | E258 | I256-E258 HydrophobicContact CG2-CG 4.44Š| ||
| 257 | P | 52.2 | Low | 44.5 | Very low | 90 Ų | 90 | 150.7 Ų | 150.7 | 58% | 0.584 | 77% | 0.767 | S | S | * | * | -118.7 | 139.5 | 122.8 | 33.8 | -30 | 0 | 0 | 0 | 110.8 | |||||
| 258 | E | 42.9 | Very low | 44.4 | Very low | 181 Ų | 181 | 154.6 Ų | 154.6 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -55.4 | 133.8 | 173.1 | -67.2 | 164.3 | 138.9 | 0 | 0 | 110.1 | I256 | I256-E258 HydrophobicContact CG2-CG 4.44Š| ||
| 259 | N | 39.3 | Very low | 44.3 | Very low | 148 Ų | 148 | 157.4 Ų | 157.4 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -126.7 | 105.5 | 156.7 | -72.4 | 37.2 | 0 | 0 | 0 | 106.8 | S261 | N259-S261 PolarHBondContact O-N 2.93Š| ||
| 260 | E | 47.9 | Very low | 43.9 | Very low | 199 Ų | 199 | 149.7 Ų | 149.7 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | trans | -48.1 | 129.8 | 155.9 | -94.1 | 170.6 | 150.8 | 0 | 0 | 109.4 | ||||
| 261 | S | 47 | Very low | 44.2 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -127.4 | 97.6 | 157.8 | 60.2 | 0 | 0 | 0 | 0 | 107.4 | N259 | N259-S261 PolarHBondContact O-N 2.93Š| ||
| 262 | D | 45.8 | Very low | 43.7 | Very low | 149 Ų | 149 | 146.8 Ų | 146.8 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -59.8 | 131.4 | 151.3 | -101.9 | -18.9 | 0 | 0 | 0 | 108.5 | ||||
| 263 | D | 42 | Very low | 43.6 | Very low | 139 Ų | 139 | 148.5 Ų | 148.5 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | 157.5 | 107.6 | 122.9 | -84.9 | -26.1 | 0 | 0 | 0 | 111.4 | |||||
| 264 | E | 44.9 | Very low | 43.8 | Very low | 175 Ų | 175 | 148.2 Ų | 148.2 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 63.5 | 124.2 | 135.1 | -55.5 | -66.6 | 179.6 | 0 | 0 | 121.9 | ||||
| 265 | E | 45.2 | Very low | 43.3 | Very low | 170 Ų | 170 | 150.4 Ų | 150.4 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -72.9 | 139.8 | 166.1 | -59.3 | -169.5 | 160.4 | 0 | 0 | 111.2 | ||||
| 266 | E | 45.1 | Very low | 43 | Very low | 189 Ų | 189 | 150.4 Ų | 150.4 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -136.4 | 111.6 | 151.8 | -83 | -72.9 | 171.2 | 0 | 0 | 108 | ||||
| 267 | E | 43.8 | Very low | 42.1 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -72.1 | 133.6 | 166.6 | -76 | -158.9 | 146.1 | 0 | 0 | 110.2 | ||||
| 268 | E | 41 | Very low | 41.3 | Very low | 198 Ų | 198 | 151.1 Ų | 151.1 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | -139.1 | 134.5 | 149.3 | -162.1 | 179.3 | 171.7 | 0 | 0 | 111.8 | ||||
| 269 | K | 38.9 | Very low | 40.8 | Very low | 183 Ų | 183 | 146.2 Ų | 146.2 | 80% | 0.796 | 81% | 0.811 | S | S | * | * | trans | -88.7 | 128.1 | -169.8 | -69 | -138.9 | -179.1 | -166.3 | 0 | 114.5 | ||||
| 270 | G | 34.2 | Very low | 40.7 | Very low | 75 Ų | 75 | 144.7 Ų | 144.7 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | 74.8 | 174.5 | 135.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 271 | P | 46.5 | Very low | 40.3 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | cis | -128.3 | 154.2 | -8.2 | 38 | -20.7 | 0 | 0 | 0 | 116.6 | ||||
| 272 | V | 35.9 | Very low | 40 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | 22.8 | 114.7 | 139.5 | -170.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 273 | S | 36.7 | Very low | 39.7 | Very low | 103 Ų | 103 | 145.2 Ų | 145.2 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | 35 | 149.6 | 130.1 | -107.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 274 | P | 48.4 | Very low | 39.4 | Very low | 127 Ų | 127 | 142.2 Ų | 142.2 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | -151.1 | 160.1 | 65.7 | 38.8 | -17.5 | 0 | 0 | 0 | 120.1 | |||||
| 275 | R | 38.5 | Very low | 39 | Very low | 224 Ų | 224 | 137.4 Ų | 137.4 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -21 | 148.2 | 158.2 | -64.5 | 170.4 | 156.4 | -179.4 | -6.9 | 119.9 | ||||
| 276 | T | 35.3 | Very low | 39.3 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | -170.9 | 124.2 | 118.3 | 41.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 277 | S | 33.6 | Very low | 39.3 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | 73.7 | 102.7 | 98.3 | -41.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 278 | V | 35.1 | Very low | 38.9 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 90% | 0.903 | 81% | 0.807 | S | S | * | * | 66.3 | 119.2 | 102 | 174.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 279 | G | 31.9 | Very low | 39.1 | Very low | 78 Ų | 78 | 132.8 Ų | 132.8 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -178.2 | 96.5 | 168 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 280 | S | 38 | Very low | 39.3 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -75.2 | 174.1 | -176.4 | -48.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 281 | S | 37.8 | Very low | 40.1 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | 100 | 94.3 | 145.6 | -160.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 282 | E | 40.9 | Very low | 40.1 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | 30.8 | 118.5 | 108.6 | -155.3 | -178.7 | 145.4 | 0 | 0 | 118.4 | |||||
| 283 | K | 39.8 | Very low | 40.8 | Very low | 201 Ų | 201 | 137.2 Ų | 137.2 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | 170.3 | 133.5 | 128.9 | -90.8 | -102.8 | 178.4 | 175.7 | 0 | 112.2 | |||||
| 284 | G | 36 | Very low | 41.6 | Very low | 75 Ų | 75 | 141 Ų | 141 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | 122.5 | 78.4 | 137.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 285 | G | 36.8 | Very low | 41.5 | Very low | 74 Ų | 74 | 144.2 Ų | 144.2 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | 61.6 | 146.5 | 119.3 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 286 | P | 50.5 | Low | 41.8 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -94.2 | 151.3 | -158.6 | 37.7 | -32.4 | 0 | 0 | 0 | 113.4 | ||||
| 287 | R | 45.3 | Very low | 42.3 | Very low | 253 Ų | 253 | 136 Ų | 136 | 96% | 0.955 | 82% | 0.82 | S | S | * | * | trans | -116.7 | 109.5 | 160.4 | -101.8 | -176.5 | 167.6 | -153.2 | -1.8 | 108.9 | ||||
| 288 | G | 35.9 | Very low | 43.2 | Very low | 65 Ų | 65 | 136.3 Ų | 136.3 | 67% | 0.67 | 83% | 0.828 | S | S | * | * | trans | -66.9 | 155.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 289 | N | 44.3 | Very low | 44 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 91% | 0.909 | 86% | 0.862 | S | S | * | * | trans | -136.8 | 123.6 | 151.9 | -88.4 | -22.6 | 0 | 0 | 0 | 108.9 | ||||
| 290 | R | 43.2 | Very low | 44.6 | Very low | 226 Ų | 226 | 139.6 Ų | 139.6 | 85% | 0.853 | 87% | 0.865 | S | S | * | * | trans | -81.1 | 124.7 | 173.5 | -178.4 | -169.8 | -148.5 | -165.3 | 6.4 | 107.5 | ||||
| 291 | S | 50.9 | Low | 44.9 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 85% | 0.846 | 87% | 0.868 | S | S | * | * | trans | -140.8 | 113.1 | 158.5 | -69 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 292 | Q | 47.4 | Very low | 45.3 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.822 | 87% | 0.874 | S | S | * | * | trans | -68.5 | 146.5 | 164.1 | -65.1 | 171.5 | -54.9 | 0 | 0 | 109.8 | ||||
| 293 | A | 51.2 | Low | 45.6 | Very low | 87 Ų | 87 | 141.3 Ų | 141.3 | 72% | 0.719 | 88% | 0.88 | S | S | * | * | trans | -158.9 | 118.8 | 151.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 294 | Q | 51.7 | Low | 45.9 | Very low | 182 Ų | 182 | 137.6 Ų | 137.6 | 85% | 0.85 | 88% | 0.88 | S | S | * | * | trans | 52.6 | 113.2 | 143.7 | -76.6 | 157.2 | -39.6 | 0 | 0 | 119.3 | ||||
| 295 | Q | 47.2 | Very low | 46.6 | Very low | 195 Ų | 195 | 141.7 Ų | 141.7 | 91% | 0.911 | 89% | 0.887 | S | S | * | * | 46.2 | 110.7 | 71 | -71.3 | -168.2 | 15.8 | 0 | 0 | 115.8 | |||||
| 296 | G | 44.1 | Very low | 47.3 | Very low | 75 Ų | 75 | 146.6 Ų | 146.6 | 77% | 0.773 | 90% | 0.896 | S | S | * | * | 118.5 | 138.6 | 112.7 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 297 | A | 47.6 | Very low | 47 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 88% | 0.884 | 90% | 0.899 | S | S | * | * | trans | 77.4 | 147 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 298 | A | 51.1 | Low | 47.2 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 88% | 0.884 | 89% | 0.894 | S | S | * | * | cis | -173.6 | 147.8 | -16.8 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 299 | G | 51.7 | Low | 48.2 | Very low | 156 Ų | 156 | 145.6 Ų | 145.6 | 100% | 1.608 | 92% | 0.915 | S | S | * | * | trans | 169.7 | 0 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 |
Retrieved 299 of 299 residues in 196.7 ms
(Link to these results)