| 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 | 33.7 | Very low | 46.2 | Very low | 237 Ų | 237 | 165.4 Ų | 165.4 | 100% | 1.167 | 81% | 0.806 | S | S | * | * | 0 | 128.2 | 0 | -73.4 | -172.3 | 155.9 | 0 | 0 | 106.5 | |||||
| 2 | T | 36.9 | Very low | 47.9 | Very low | 125 Ų | 125 | 157.3 Ų | 157.3 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | cis | -164.2 | 126.4 | 20.6 | 6.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 3 | K | 46.3 | Very low | 50 | Low | 171 Ų | 171 | 153.3 Ų | 153.3 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | 15.1 | 112.4 | 151.9 | -60.4 | 179 | -179.4 | 171.1 | 0 | 118.8 | ||||
| 4 | S | 43.2 | Very low | 51.8 | Low | 132 Ų | 132 | 145.9 Ų | 145.9 | 92% | 0.923 | 74% | 0.742 | S | S | * | * | trans | -119.6 | 73 | 139.7 | -66.6 | 0 | 0 | 0 | 0 | 108.1 | D6 | S4-D6 PolarHBondContact O-N 3.45Š| ||
| 5 | K | 40.3 | Very low | 53.5 | Low | 166 Ų | 166 | 140.3 Ų | 140.3 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | trans | -58.7 | 123 | 170.7 | -104.5 | 175.9 | 164.9 | 178.3 | 0 | 108.6 | K7 | K5-K7 PolarHBondContact O-N 3.4Š| ||
| 6 | D | 45.6 | Very low | 55.3 | Low | 120 Ų | 120 | 137.9 Ų | 137.9 | 64% | 0.642 | 71% | 0.706 | S | S | * | * | 56.7 | 67.5 | 123.5 | -156.6 | 42.4 | 0 | 0 | 0 | 115 | S4 | S4-D6 PolarHBondContact O-N 3.45Š| |||
| 7 | K | 45.7 | Very low | 56.9 | Low | 217 Ų | 217 | 134.5 Ų | 134.5 | 94% | 0.943 | 69% | 0.689 | S | S | * | * | trans | -105 | 19.5 | 169.6 | -139 | -175.9 | -170.8 | -171.4 | 0 | 112.1 | K5 | K5-K7 PolarHBondContact O-N 3.4Š| ||
| 8 | R | 52.8 | Low | 58.4 | Low | 195 Ų | 195 | 132.4 Ų | 132.4 | 74% | 0.736 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -104.8 | 134.1 | 169.3 | -143.8 | 175.5 | -178.2 | 174.2 | -1.6 | 105.3 | ||
| 9 | E | 52.2 | Low | 59.9 | Low | 163 Ų | 163 | 132.2 Ų | 132.2 | 76% | 0.762 | 67% | 0.669 | S | S | * | * | trans | 72.9 | 62.9 | 163.3 | -61.3 | 161.2 | -152.3 | 0 | 0 | 117.7 | ||||
| 10 | K | 54.8 | Low | 61.3 | Low | 186 Ų | 186 | 129.9 Ų | 129.9 | 81% | 0.809 | 66% | 0.662 | S | S | * | * | trans | -138.6 | 56.3 | 145.7 | -63.7 | -170.8 | -174.4 | -175.5 | 0 | 110.4 | S12 | K10-S12 VanDerWaalsContact C-N 3.28Å; K10-S12 PolarHBondContact O-N 3.05Å | ||
| 11 | V | 57.2 | Low | 62.5 | Low | 107 Ų | 107 | 129 Ų | 129 | 65% | 0.648 | 66% | 0.655 | S | S | * | * | trans | -61.1 | 110.4 | 147 | 178.4 | 0 | 0 | 0 | 0 | 103.1 | V13 | V11-V13 PolarHBondContact O-N 3.2Š| ||
| 12 | S | 66.2 | Low | 65.1 | Low | 68 Ų | 68 | 122.3 Ų | 122.3 | 48% | 0.476 | 62% | 0.621 | S | S | . | * | trans | -52.6 | 135.1 | -177.5 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | K10 A14 S15 E16 | K10-S12 VanDerWaalsContact C-N 3.28Å; K10-S12 PolarHBondContact O-N 3.05Å; S12-A14 CarbonylContact O-C 3.57Å; S12-A14 PolarHBondContact O-N 2.78Å; S12-S15 WeakPolarHBondContact O-CB 3.48Å; S12-S15 PolarHBondContact O-N 3.4Å; S12-E16 PolarHBondContact O-N 2.71Å | ||
| 13 | V | 75.3 | Confident | 67.7 | Low | 106 Ų | 106 | 123.4 Ų | 123.4 | 64% | 0.642 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -48.8 | -33.1 | 176.6 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | V11 E16 I17 | V11-V13 PolarHBondContact O-N 3.2Å; V13-E16 PolarHBondContact O-N 2.98Å; V13-I17 HydrophobicContact CG1-CD1 3.74Å; V13-I17 HydrophobicContact CG1-CG1 4.29Å; V13-I17 WeakPolarHBondContact O-CB 3.48Å; V13-I17 WeakPolarHBondContact O-CG1 3.4Å; V13-I17 PolarHBondContact O-N 2.77Å |
| 14 | A | 75.3 | Confident | 69.9 | Low | 49 Ų | 49 | 124 Ų | 124 | 41% | 0.405 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -56.5 | -48 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S12 E16 I17 D18 | S12-A14 CarbonylContact O-C 3.57Å; S12-A14 PolarHBondContact O-N 2.78Å; A14-E16 VanDerWaalsContact C-N 3.28Å; A14-E16 PolarHBondContact O-N 3.29Å; A14-I17 WeakPolarHBondContact O-CB 3.48Å; A14-I17 PolarHBondContact O-N 2.91Å; A14-D18 PolarHBondContact O-N 3.46Å |
| 15 | S | 77.5 | Confident | 72.2 | Confident | 63 Ų | 63 | 123.3 Ų | 123.3 | 44% | 0.441 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68 | -28.7 | 179.9 | -53.3 | 0 | 0 | 0 | 0 | 113.1 | S12 R19 | S12-S15 WeakPolarHBondContact O-CB 3.48Å; S12-S15 PolarHBondContact O-N 3.4Å; S15-R19 WeakPolarHBondContact O-CB 3.3Å; S15-R19 PolarHBondContact O-N 3.23Å |
| 16 | E | 82.5 | Confident | 74.5 | Confident | 102 Ų | 102 | 121.5 Ų | 121.5 | 48% | 0.477 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -76.4 | -38.2 | 174.3 | -166.4 | 159.4 | -154.5 | 0 | 0 | 111.5 | S12 V13 A14 R19 V20 | S12-E16 PolarHBondContact O-N 2.71Å; V13-E16 PolarHBondContact O-N 2.98Å; A14-E16 VanDerWaalsContact C-N 3.28Å; A14-E16 PolarHBondContact O-N 3.29Å; E16-R19 PolarHBondContact O-N 2.99Å; E16-V20 VanDerWaalsContact O-CG2 3.28Å; E16-V20 WeakPolarHBondContact O-CG2 3.22Å; E16-V20 PolarHBondContact O-N 3.35Å |
| 17 | I | 81.6 | Confident | 76.6 | Confident | 80 Ų | 80 | 119 Ų | 119 | 41% | 0.41 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.5 | -52.1 | 170.1 | -70.2 | 167.4 | 0 | 0 | 0 | 110.2 | V13 A14 R19 V20 E21 | V13-I17 HydrophobicContact CG1-CD1 3.74Å; V13-I17 HydrophobicContact CG1-CG1 4.29Å; V13-I17 WeakPolarHBondContact O-CB 3.48Å; V13-I17 WeakPolarHBondContact O-CG1 3.4Å; V13-I17 PolarHBondContact O-N 2.77Å; A14-I17 WeakPolarHBondContact O-CB 3.48Å; A14-I17 PolarHBondContact O-N 2.91Å; I17-R19 PolarHBondContact O-N 3.24Å; I17-V20 CarbonylContact O-C 3.58Å; I17-V20 PolarHBondContact O-N 3.41Å; I17-E21 HydrophobicContact CG2-CG 4.16Å; I17-E21 WeakPolarHBondContact O-CG 3.47Å; I17-E21 PolarHBondContact O-N 3.44Å |
| 18 | D | 84.9 | Confident | 78.8 | Confident | 97 Ų | 97 | 114 Ų | 114 | 52% | 0.519 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -55.5 | -43.1 | 179.7 | -66 | -24.7 | 0 | 0 | 0 | 111.1 | A14 V20 E21 E22 | A14-D18 PolarHBondContact O-N 3.46Å; D18-V20 VanDerWaalsContact C-N 3.35Å; D18-V20 PolarHBondContact O-N 2.82Å; D18-E21 PolarHBondContact O-N 2.8Å; D18-E22 VanDerWaalsContact O-CB 3.3Å; D18-E22 WeakPolarHBondContact O-CB 3.46Å; D18-E22 PolarHBondContact O-N 3.28Å |
| 19 | R | 86.6 | Confident | 80.7 | Confident | 128 Ų | 128 | 109.3 Ų | 109.3 | 48% | 0.483 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.3 | -36.5 | 178.4 | -165.9 | -179.2 | 76.1 | 172.8 | -1.1 | 112.4 | S15 E16 I17 R23 | S15-R19 WeakPolarHBondContact O-CB 3.3Å; S15-R19 PolarHBondContact O-N 3.23Å; E16-R19 PolarHBondContact O-N 2.99Å; I17-R19 PolarHBondContact O-N 3.24Å; R19-R23 VanDerWaalsContact O-CG 3.27Å; R19-R23 WeakPolarHBondContact O-CG 3.28Å; R19-R23 PolarHBondContact O-N 3.13Å |
| 20 | V | 86.8 | Confident | 82.5 | Confident | 86 Ų | 86 | 104.6 Ų | 104.6 | 52% | 0.521 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -74.4 | -40.5 | 178 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | E16 I17 D18 R23 R24 | E16-V20 VanDerWaalsContact O-CG2 3.28Å; E16-V20 WeakPolarHBondContact O-CG2 3.22Å; E16-V20 PolarHBondContact O-N 3.35Å; I17-V20 CarbonylContact O-C 3.58Å; I17-V20 PolarHBondContact O-N 3.41Å; D18-V20 VanDerWaalsContact C-N 3.35Å; D18-V20 PolarHBondContact O-N 2.82Å; V20-R23 PolarHBondContact O-N 3.39Å; V20-R24 WeakPolarHBondContact O-CB 3.35Å; V20-R24 PolarHBondContact O-N 3.37Å |
| 21 | E | 87.3 | Confident | 84.1 | Confident | 110 Ų | 110 | 100 Ų | 100 | 51% | 0.514 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 175.4 | -73.5 | -170.9 | 165.9 | 0 | 0 | 111.7 | I17 D18 R23 R24 L25 | I17-E21 HydrophobicContact CG2-CG 4.16Å; I17-E21 WeakPolarHBondContact O-CG 3.47Å; I17-E21 PolarHBondContact O-N 3.44Å; D18-E21 PolarHBondContact O-N 2.8Å; E21-R23 VanDerWaalsContact C-N 3.3Å; E21-R23 PolarHBondContact O-N 2.91Å; E21-R24 WeakPolarHBondContact O-CB 3.39Å; E21-R24 PolarHBondContact O-N 3.31Å; E21-R24 VanDerWaalsContact O-N 3.13Å; E21-L25 WeakPolarHBondContact O-CB 3.46Å; E21-L25 WeakPolarHBondContact O-CG 3.26Å; E21-L25 PolarHBondContact O-N 3.31Å |
| 22 | E | 88.6 | Confident | 85.7 | Confident | 97 Ų | 97 | 100.4 Ų | 100.4 | 45% | 0.453 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -37.7 | 176.1 | -162.8 | -161.1 | -177.8 | 0 | 0 | 111.7 | D18 R26 | D18-E22 VanDerWaalsContact O-CB 3.3Å; D18-E22 WeakPolarHBondContact O-CB 3.46Å; D18-E22 PolarHBondContact O-N 3.28Å; E22-R26 VanDerWaalsContact CD-CZ 3.41Å; E22-R26 WeakPolarHBondContact O-CB 3.46Å; E22-R26 WeakPolarHBondContact O-CG 3.38Å; E22-R26 PolarHBondContact O-N 3.22Å; E22-R26 IonicContact OE1-CZ 3.78Å; E22-R26 IonicContact OE1-NH1 3.78Å; E22-R26 PolarHBondContact OE1-NH1 3.02Å; E22-R26 IonicContact OE1-NH2 2.71Å; E22-R26 IonicContact OE2-CZ 3.58Å; E22-R26 IonicContact OE2-NH1 3.48Å; E22-R26 PolarHBondContact OE2-NH1 3.02Å; E22-R26 IonicContact OE2-NH2 3.4Å; E22-R26 PolarHBondContact OE2-NH2 2.8Å |
| 23 | R | 91.1 | Very high | 86.7 | Confident | 148 Ų | 148 | 105 Ų | 105 | 56% | 0.558 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.4 | -40 | 172.6 | -74.5 | 175.6 | -175.6 | -142.2 | 0.3 | 112 | R19 V20 E21 R26 C27 | R19-R23 VanDerWaalsContact O-CG 3.27Å; R19-R23 WeakPolarHBondContact O-CG 3.28Å; R19-R23 PolarHBondContact O-N 3.13Å; V20-R23 PolarHBondContact O-N 3.39Å; E21-R23 VanDerWaalsContact C-N 3.3Å; E21-R23 PolarHBondContact O-N 2.91Å; R23-R26 PolarHBondContact O-N 3.36Å; R23-C27 VanDerWaalsContact O-CB 3.32Å; R23-C27 WeakPolarHBondContact O-CB 3.27Å; R23-C27 PolarHBondContact O-N 2.98Å |
| 24 | R | 93.2 | Very high | 87.1 | Confident | 185 Ų | 185 | 102 Ų | 102 | 70% | 0.698 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.1 | -44.6 | 177 | -175.9 | 179.6 | 176.8 | -107.5 | -3.1 | 111 | V20 E21 C27 H28 | V20-R24 WeakPolarHBondContact O-CB 3.35Å; V20-R24 PolarHBondContact O-N 3.37Å; E21-R24 WeakPolarHBondContact O-CB 3.39Å; E21-R24 PolarHBondContact O-N 3.31Å; E21-R24 VanDerWaalsContact O-N 3.13Å; R24-C27 PolarHBondContact O-N 3.46Å; R24-H28 WeakPolarHBondContact O-CB 3.44Å; R24-H28 PolarHBondContact O-N 3.28Å |
| 25 | L | 91.1 | Very high | 87.6 | Confident | 117 Ų | 117 | 103.9 Ų | 103.9 | 61% | 0.613 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.6 | -45.8 | 176.6 | -74.7 | 167.6 | 0 | 0 | 0 | 111.4 | E21 C27 H28 D29 | E21-L25 WeakPolarHBondContact O-CB 3.46Å; E21-L25 WeakPolarHBondContact O-CG 3.26Å; E21-L25 PolarHBondContact O-N 3.31Å; L25-C27 VanDerWaalsContact C-N 3.33Å; L25-C27 PolarHBondContact O-N 3.43Å; L25-H28 PolarHBondContact O-N 2.83Å; L25-D29 WeakPolarHBondContact O-CB 3.4Å; L25-D29 PolarHBondContact O-N 2.98Å |
| 26 | R | 89.5 | Confident | 87.7 | Confident | 127 Ų | 127 | 107.7 Ų | 107.7 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 174.4 | -78 | -172.2 | -74.7 | -114.8 | -7.5 | 112.9 | E22 R23 S30 | E22-R26 VanDerWaalsContact CD-CZ 3.41Å; E22-R26 WeakPolarHBondContact O-CB 3.46Å; E22-R26 WeakPolarHBondContact O-CG 3.38Å; E22-R26 PolarHBondContact O-N 3.22Å; E22-R26 IonicContact OE1-CZ 3.78Å; E22-R26 IonicContact OE1-NH1 3.78Å; E22-R26 PolarHBondContact OE1-NH1 3.02Å; E22-R26 IonicContact OE1-NH2 2.71Å; E22-R26 IonicContact OE2-CZ 3.58Å; E22-R26 IonicContact OE2-NH1 3.48Å; E22-R26 PolarHBondContact OE2-NH1 3.02Å; E22-R26 IonicContact OE2-NH2 3.4Å; E22-R26 PolarHBondContact OE2-NH2 2.8Å; R23-R26 PolarHBondContact O-N 3.36Å; R26-S30 WeakPolarHBondContact O-CB 3.36Å; R26-S30 PolarHBondContact O-N 2.9Å; R26-S30 PolarHBondContact O-OG 3.21Å |
| 27 | C | 89 | Confident | 87.6 | Confident | 67 Ų | 67 | 109 Ų | 109 | 45% | 0.453 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 176.7 | -167.7 | 0 | 0 | 0 | 0 | 110.8 | R23 R24 L25 S30 I31 | R23-C27 VanDerWaalsContact O-CB 3.32Å; R23-C27 WeakPolarHBondContact O-CB 3.27Å; R23-C27 PolarHBondContact O-N 2.98Å; R24-C27 PolarHBondContact O-N 3.46Å; L25-C27 VanDerWaalsContact C-N 3.33Å; L25-C27 PolarHBondContact O-N 3.43Å; C27-S30 PolarHBondContact O-N 3.49Å; C27-S30 PolarHBondContact O-OG 2.94Å; C27-I31 WeakPolarHBondContact O-CG1 3.35Å; C27-I31 PolarHBondContact O-N 2.89Å |
| 28 | H | 92.6 | Very high | 87.4 | Confident | 112 Ų | 112 | 112.4 Ų | 112.4 | 52% | 0.519 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.9 | -49.1 | 176.9 | -172.4 | -78.4 | 0 | 0 | 0 | 112 | R24 L25 S30 I31 E32 | R24-H28 WeakPolarHBondContact O-CB 3.44Å; R24-H28 PolarHBondContact O-N 3.28Å; L25-H28 PolarHBondContact O-N 2.83Å; H28-S30 VanDerWaalsContact C-N 3.28Å; H28-S30 PolarHBondContact O-N 3.47Å; H28-I31 PolarHBondContact O-N 3.07Å; H28-E32 IonicContact CE1-OE2 2.85Å; H28-E32 IonicContact ND1-OE2 3.9Å; H28-E32 WeakPolarHBondContact O-CB 3.36Å; H28-E32 PolarHBondContact O-N 3.46Å |
| 29 | D | 91 | Very high | 87.1 | Confident | 97 Ų | 97 | 114.7 Ų | 114.7 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 175.6 | -177.4 | 70.5 | 0 | 0 | 0 | 111.5 | L25 I31 E32 R33 | L25-D29 WeakPolarHBondContact O-CB 3.4Å; L25-D29 PolarHBondContact O-N 2.98Å; D29-I31 VanDerWaalsContact C-N 3.34Å; D29-I31 PolarHBondContact O-N 2.66Å; D29-E32 PolarHBondContact O-N 3.44Å; D29-R33 VanDerWaalsContact O-CB 3.26Å; D29-R33 WeakPolarHBondContact O-CB 3.48Å; D29-R33 PolarHBondContact O-N 3.3Å |
| 30 | S | 89.8 | Confident | 86.7 | Confident | 65 Ų | 65 | 117.4 Ų | 117.4 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 177.6 | 77.2 | 0 | 0 | 0 | 0 | 113.3 | R26 C27 H28 A34 | R26-S30 WeakPolarHBondContact O-CB 3.36Å; R26-S30 PolarHBondContact O-N 2.9Å; R26-S30 PolarHBondContact O-OG 3.21Å; C27-S30 PolarHBondContact O-N 3.49Å; C27-S30 PolarHBondContact O-OG 2.94Å; H28-S30 VanDerWaalsContact C-N 3.28Å; H28-S30 PolarHBondContact O-N 3.47Å; S30-A34 WeakPolarHBondContact O-CB 3.32Å; S30-A34 PolarHBondContact O-N 2.83Å; S30-A34 VanDerWaalsContact O-N 3.07Å |
| 31 | I | 88.8 | Confident | 86.1 | Confident | 89 Ų | 89 | 119.1 Ų | 119.1 | 46% | 0.456 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.7 | -47.8 | 177.5 | -69.5 | 168.5 | 0 | 0 | 0 | 109.9 | C27 H28 D29 R33 A34 E35 | C27-I31 WeakPolarHBondContact O-CG1 3.35Å; C27-I31 PolarHBondContact O-N 2.89Å; H28-I31 PolarHBondContact O-N 3.07Å; D29-I31 VanDerWaalsContact C-N 3.34Å; D29-I31 PolarHBondContact O-N 2.66Å; I31-R33 VanDerWaalsContact C-N 3.28Å; I31-R33 PolarHBondContact O-N 3.11Å; I31-A34 CarbonylContact O-C 3.59Å; I31-A34 WeakPolarHBondContact O-CA 3.36Å; I31-A34 WeakPolarHBondContact O-CB 3.48Å; I31-A34 PolarHBondContact O-N 2.95Å; I31-E35 HydrophobicContact CG2-CG 4.44Å; I31-E35 PolarHBondContact O-N 3.5Å |
| 32 | E | 90.5 | Very high | 85.7 | Confident | 115 Ų | 115 | 118 Ų | 118 | 54% | 0.537 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 178.6 | -176.1 | 171.4 | -170.6 | 0 | 0 | 111.4 | H28 D29 A34 E35 F36 | H28-E32 IonicContact CE1-OE2 2.85Å; H28-E32 IonicContact ND1-OE2 3.9Å; H28-E32 WeakPolarHBondContact O-CB 3.36Å; H28-E32 PolarHBondContact O-N 3.46Å; D29-E32 PolarHBondContact O-N 3.44Å; E32-A34 VanDerWaalsContact C-N 3.34Å; E32-A34 PolarHBondContact O-N 3.33Å; E32-E35 PolarHBondContact O-N 3.31Å; E32-F36 WeakPolarHBondContact O-CB 3.44Å; E32-F36 PolarHBondContact O-N 3.33Å |
| 33 | R | 87.3 | Confident | 84.9 | Confident | 166 Ų | 166 | 118.1 Ų | 118.1 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.3 | -34 | 175.5 | -154.3 | -179.1 | -142.4 | -164.6 | 5.7 | 112.9 | D29 I31 R37 | D29-R33 VanDerWaalsContact O-CB 3.26Å; D29-R33 WeakPolarHBondContact O-CB 3.48Å; D29-R33 PolarHBondContact O-N 3.3Å; I31-R33 VanDerWaalsContact C-N 3.28Å; I31-R33 PolarHBondContact O-N 3.11Å; R33-R37 WeakPolarHBondContact O-CG 3.45Å; R33-R37 PolarHBondContact O-N 2.9Å; R33-R37 PolarHBondContact O-NH1 2.91Å |
| 34 | A | 83.8 | Confident | 84.3 | Confident | 42 Ų | 42 | 114 Ų | 114 | 35% | 0.347 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.1 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S30 I31 E32 F36 R37 R38 | S30-A34 WeakPolarHBondContact O-CB 3.32Å; S30-A34 PolarHBondContact O-N 2.83Å; S30-A34 VanDerWaalsContact O-N 3.07Å; I31-A34 CarbonylContact O-C 3.59Å; I31-A34 WeakPolarHBondContact O-CA 3.36Å; I31-A34 WeakPolarHBondContact O-CB 3.48Å; I31-A34 PolarHBondContact O-N 2.95Å; E32-A34 VanDerWaalsContact C-N 3.34Å; E32-A34 PolarHBondContact O-N 3.33Å; A34-F36 PolarHBondContact O-N 3.4Å; A34-R37 PolarHBondContact O-N 3.17Å; A34-R38 WeakPolarHBondContact O-CB 3.45Å; A34-R38 PolarHBondContact O-N 2.83Å |
| 35 | E | 86.1 | Confident | 83.8 | Confident | 89 Ų | 89 | 110.2 Ų | 110.2 | 42% | 0.416 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 175.1 | -74.7 | -168.7 | -171.9 | 0 | 0 | 112.3 | I31 E32 R37 R38 R39 | I31-E35 HydrophobicContact CG2-CG 4.44Å; I31-E35 PolarHBondContact O-N 3.5Å; E32-E35 PolarHBondContact O-N 3.31Å; E35-R37 VanDerWaalsContact C-N 3.34Å; E35-R37 PolarHBondContact O-N 3.24Å; E35-R38 PolarHBondContact O-N 3.03Å; E35-R39 WeakPolarHBondContact O-CG 3.49Å; E35-R39 PolarHBondContact O-N 3.41Å; E35-R39 IonicContact OE2-CZ 2.78Å; E35-R39 IonicContact OE2-NH2 3.49Å; E35-R39 PolarHBondContact OE2-NH2 2.85Å |
| 36 | F | 79.9 | Confident | 83.4 | Confident | 143 Ų | 143 | 110.6 Ų | 110.6 | 63% | 0.627 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.2 | -41.8 | 177.3 | -175.5 | -96.7 | 0 | 0 | 0 | 112 | E32 A34 R40 | E32-F36 WeakPolarHBondContact O-CB 3.44Å; E32-F36 PolarHBondContact O-N 3.33Å; A34-F36 PolarHBondContact O-N 3.4Å; F36-R40 WeakPolarHBondContact O-CB 3.46Å; F36-R40 PolarHBondContact O-N 3.47Å; F36-R40 VanDerWaalsContact O-N 3.11Å |
| 37 | R | 80.9 | Confident | 82.9 | Confident | 128 Ų | 128 | 109.5 Ų | 109.5 | 48% | 0.483 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 173.7 | -72.4 | -166.5 | -59.3 | -86 | -0.6 | 111.3 | R33 A34 E35 R39 R40 E41 | R33-R37 WeakPolarHBondContact O-CG 3.45Å; R33-R37 PolarHBondContact O-N 2.9Å; R33-R37 PolarHBondContact O-NH1 2.91Å; A34-R37 PolarHBondContact O-N 3.17Å; E35-R37 VanDerWaalsContact C-N 3.34Å; E35-R37 PolarHBondContact O-N 3.24Å; R37-R39 PolarHBondContact O-N 2.92Å; R37-R40 PolarHBondContact O-N 3.04Å; R37-E41 WeakPolarHBondContact O-CG 3.21Å; R37-E41 PolarHBondContact O-N 3.5Å |
| 38 | R | 76.7 | Confident | 82.7 | Confident | 152 Ų | 152 | 113.5 Ų | 113.5 | 57% | 0.574 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.6 | -46.9 | 179.4 | -153.7 | -166.7 | 91.9 | 175.8 | 9.6 | 112.1 | A34 E35 R40 E41 E42 | A34-R38 WeakPolarHBondContact O-CB 3.45Å; A34-R38 PolarHBondContact O-N 2.83Å; E35-R38 PolarHBondContact O-N 3.03Å; R38-R40 VanDerWaalsContact C-N 3.31Å; R38-R40 PolarHBondContact O-N 2.99Å; R38-E41 PolarHBondContact O-N 3.47Å; R38-E42 IonicContact CZ-OE1 3.09Å; R38-E42 IonicContact NE-OE1 2.71Å; R38-E42 PolarHBondContact NE-OE1 3.21Å; R38-E42 IonicContact NE-OE2 3.93Å; R38-E42 IonicContact NH2-OE1 2.76Å; R38-E42 PolarHBondContact NH2-OE1 3.49Å; R38-E42 IonicContact NH2-OE2 3.66Å; R38-E42 WeakPolarHBondContact O-CB 3.49Å; R38-E42 WeakPolarHBondContact O-CG 3.36Å; R38-E42 PolarHBondContact O-N 3.07Å |
| 39 | R | 79.2 | Confident | 82.4 | Confident | 146 Ų | 146 | 113.9 Ų | 113.9 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.5 | -38.5 | 177.1 | -70.4 | -177.9 | -148.2 | 178.6 | 7.6 | 111.9 | E35 R37 L43 | E35-R39 WeakPolarHBondContact O-CG 3.49Å; E35-R39 PolarHBondContact O-N 3.41Å; E35-R39 IonicContact OE2-CZ 2.78Å; E35-R39 IonicContact OE2-NH2 3.49Å; E35-R39 PolarHBondContact OE2-NH2 2.85Å; R37-R39 PolarHBondContact O-N 2.92Å; R39-L43 WeakPolarHBondContact O-CB 3.36Å; R39-L43 WeakPolarHBondContact O-CD1 3.34Å; R39-L43 VanDerWaalsContact O-CG 3.22Å; R39-L43 WeakPolarHBondContact O-CG 3.43Å; R39-L43 PolarHBondContact O-N 3.23Å |
| 40 | R | 77.1 | Confident | 82.1 | Confident | 184 Ų | 184 | 112.2 Ų | 112.2 | 69% | 0.694 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.4 | -38.2 | 177.4 | -177.7 | 178.6 | 143.7 | 167 | -3.8 | 112.2 | F36 R37 R38 S44 | F36-R40 WeakPolarHBondContact O-CB 3.46Å; F36-R40 PolarHBondContact O-N 3.47Å; F36-R40 VanDerWaalsContact O-N 3.11Å; R37-R40 PolarHBondContact O-N 3.04Å; R38-R40 VanDerWaalsContact C-N 3.31Å; R38-R40 PolarHBondContact O-N 2.99Å; R40-S44 PolarHBondContact O-N 2.85Å |
| 41 | E | 75.2 | Confident | 81.9 | Confident | 122 Ų | 122 | 114.7 Ų | 114.7 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.1 | -45.6 | 174 | -74.2 | 168.4 | -170.2 | 0 | 0 | 111.2 | R37 R38 L43 S44 D45 | R37-E41 WeakPolarHBondContact O-CG 3.21Å; R37-E41 PolarHBondContact O-N 3.5Å; R38-E41 PolarHBondContact O-N 3.47Å; E41-L43 VanDerWaalsContact C-N 3.34Å; E41-L43 PolarHBondContact O-N 3.28Å; E41-S44 WeakPolarHBondContact O-CB 3.49Å; E41-S44 PolarHBondContact O-N 3.39Å; E41-S44 VanDerWaalsContact O-N 3.07Å; E41-D45 PolarHBondContact O-N 2.84Å |
| 42 | E | 77.4 | Confident | 82 | Confident | 87 Ų | 87 | 115.9 Ų | 115.9 | 41% | 0.407 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.9 | -41.5 | 175 | -76.2 | 171 | -179.9 | 0 | 0 | 112.7 | R38 S44 D45 Q46 | R38-E42 IonicContact CZ-OE1 3.09Å; R38-E42 IonicContact NE-OE1 2.71Å; R38-E42 PolarHBondContact NE-OE1 3.21Å; R38-E42 IonicContact NE-OE2 3.93Å; R38-E42 IonicContact NH2-OE1 2.76Å; R38-E42 PolarHBondContact NH2-OE1 3.49Å; R38-E42 IonicContact NH2-OE2 3.66Å; R38-E42 WeakPolarHBondContact O-CB 3.49Å; R38-E42 WeakPolarHBondContact O-CG 3.36Å; R38-E42 PolarHBondContact O-N 3.07Å; E42-S44 VanDerWaalsContact C-N 3.32Å; E42-S44 PolarHBondContact O-N 3.27Å; E42-D45 PolarHBondContact O-N 2.76Å; E42-Q46 WeakPolarHBondContact O-CB 3.42Å; E42-Q46 PolarHBondContact O-N 3.06Å |
| 43 | L | 72.9 | Confident | 82.1 | Confident | 99 Ų | 99 | 114.4 Ų | 114.4 | 52% | 0.518 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 174.1 | -76.6 | 166.6 | 0 | 0 | 0 | 111.6 | R39 E41 D45 Q46 D47 | R39-L43 WeakPolarHBondContact O-CB 3.36Å; R39-L43 WeakPolarHBondContact O-CD1 3.34Å; R39-L43 VanDerWaalsContact O-CG 3.22Å; R39-L43 WeakPolarHBondContact O-CG 3.43Å; R39-L43 PolarHBondContact O-N 3.23Å; E41-L43 VanDerWaalsContact C-N 3.34Å; E41-L43 PolarHBondContact O-N 3.28Å; L43-D45 VanDerWaalsContact C-N 3.33Å; L43-D45 PolarHBondContact O-N 2.71Å; L43-Q46 PolarHBondContact O-N 2.89Å; L43-D47 WeakPolarHBondContact O-CB 3.47Å; L43-D47 PolarHBondContact O-N 2.89Å |
| 44 | S | 77.3 | Confident | 82.1 | Confident | 63 Ų | 63 | 112 Ų | 112 | 44% | 0.441 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 176.3 | -176.2 | 0 | 0 | 0 | 0 | 112.2 | R40 E41 E42 R48 | R40-S44 PolarHBondContact O-N 2.85Å; E41-S44 WeakPolarHBondContact O-CB 3.49Å; E41-S44 PolarHBondContact O-N 3.39Å; E41-S44 VanDerWaalsContact O-N 3.07Å; E42-S44 VanDerWaalsContact C-N 3.32Å; E42-S44 PolarHBondContact O-N 3.27Å; S44-R48 WeakPolarHBondContact O-CB 3.22Å; S44-R48 WeakPolarHBondContact O-CG 3.41Å; S44-R48 PolarHBondContact O-N 2.96Å |
| 45 | D | 83.9 | Confident | 82.3 | Confident | 105 Ų | 105 | 116.8 Ų | 116.8 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71.2 | -38.5 | 177.7 | -72.9 | -21.2 | 0 | 0 | 0 | 111.4 | E41 E42 L43 R48 Q49 | E41-D45 PolarHBondContact O-N 2.84Å; E42-D45 PolarHBondContact O-N 2.76Å; L43-D45 VanDerWaalsContact C-N 3.33Å; L43-D45 PolarHBondContact O-N 2.71Å; D45-R48 PolarHBondContact O-N 2.94Å; D45-Q49 WeakPolarHBondContact O-CB 3.46Å; D45-Q49 PolarHBondContact O-N 2.88Å |
| 46 | Q | 82.4 | Confident | 82.6 | Confident | 125 Ų | 125 | 116.7 Ų | 116.7 | 58% | 0.584 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.1 | -41.3 | 174.6 | -171.8 | 176.6 | 3.3 | 0 | 0 | 112.1 | E42 L43 R48 Q49 S50 | E42-Q46 WeakPolarHBondContact O-CB 3.42Å; E42-Q46 PolarHBondContact O-N 3.06Å; L43-Q46 PolarHBondContact O-N 2.89Å; Q46-R48 VanDerWaalsContact C-N 3.34Å; Q46-Q49 PolarHBondContact O-N 3.34Å; Q46-S50 WeakPolarHBondContact O-CB 3.41Å; Q46-S50 PolarHBondContact O-N 2.9Å; Q46-S50 PolarHBondContact O-OG 3.19Å |
| 47 | D | 79.4 | Confident | 83.1 | Confident | 104 Ų | 104 | 114 Ų | 114 | 56% | 0.556 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.4 | -40.4 | 175.7 | -72.7 | -16.4 | 0 | 0 | 0 | 110.9 | L43 S50 L51 | L43-D47 WeakPolarHBondContact O-CB 3.47Å; L43-D47 PolarHBondContact O-N 2.89Å; D47-S50 WeakPolarHBondContact CA-OG 3.49Å; D47-S50 PolarHBondContact O-OG 3.34Å; D47-L51 WeakPolarHBondContact O-CB 3.45Å; D47-L51 PolarHBondContact O-N 3.37Å |
| 48 | R | 84.7 | Confident | 83.6 | Confident | 150 Ų | 150 | 113.4 Ų | 113.4 | 57% | 0.566 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.7 | -45.3 | 173.7 | -74 | 176 | 68.6 | 106.7 | 11.8 | 112.2 | S44 D45 Q46 L51 E52 | S44-R48 WeakPolarHBondContact O-CB 3.22Å; S44-R48 WeakPolarHBondContact O-CG 3.41Å; S44-R48 PolarHBondContact O-N 2.96Å; D45-R48 PolarHBondContact O-N 2.94Å; Q46-R48 VanDerWaalsContact C-N 3.34Å; R48-L51 PolarHBondContact O-N 2.93Å; R48-E52 WeakPolarHBondContact O-CG 3.42Å; R48-E52 PolarHBondContact O-N 2.92Å |
| 49 | Q | 86.2 | Confident | 84.2 | Confident | 121 Ų | 121 | 110.6 Ų | 110.6 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.8 | -43 | 179.6 | -172.4 | 171.8 | 13.9 | 0 | 0 | 111.5 | D45 Q46 L51 E52 D53 | D45-Q49 WeakPolarHBondContact O-CB 3.46Å; D45-Q49 PolarHBondContact O-N 2.88Å; Q46-Q49 PolarHBondContact O-N 3.34Å; Q49-L51 VanDerWaalsContact C-N 3.33Å; Q49-L51 PolarHBondContact O-N 3.5Å; Q49-E52 PolarHBondContact O-N 3.26Å; Q49-D53 WeakPolarHBondContact O-CB 3.33Å; Q49-D53 PolarHBondContact O-N 2.94Å |
| 50 | S | 85.5 | Confident | 84.7 | Confident | 62 Ų | 62 | 108.6 Ų | 108.6 | 43% | 0.434 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.3 | -37 | 176.8 | 63.2 | 0 | 0 | 0 | 0 | 112.7 | Q46 D47 D53 E54 | Q46-S50 WeakPolarHBondContact O-CB 3.41Å; Q46-S50 PolarHBondContact O-N 2.9Å; Q46-S50 PolarHBondContact O-OG 3.19Å; D47-S50 WeakPolarHBondContact CA-OG 3.49Å; D47-S50 PolarHBondContact O-OG 3.34Å; S50-D53 PolarHBondContact O-N 3.44Å; S50-E54 WeakPolarHBondContact O-CB 3.38Å; S50-E54 PolarHBondContact O-N 3.32Å |
| 51 | L | 85.3 | Confident | 85.3 | Confident | 116 Ų | 116 | 106.9 Ų | 106.9 | 61% | 0.607 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.5 | -42.2 | 173.6 | -167.7 | 78.4 | 0 | 0 | 0 | 112 | D47 R48 Q49 E54 M55 | D47-L51 WeakPolarHBondContact O-CB 3.45Å; D47-L51 PolarHBondContact O-N 3.37Å; R48-L51 PolarHBondContact O-N 2.93Å; Q49-L51 VanDerWaalsContact C-N 3.33Å; Q49-L51 PolarHBondContact O-N 3.5Å; L51-E54 PolarHBondContact O-N 3.48Å; L51-M55 WeakPolarHBondContact O-CB 3.47Å; L51-M55 PolarHBondContact O-N 2.93Å |
| 52 | E | 89.3 | Confident | 85.8 | Confident | 115 Ų | 115 | 106.6 Ų | 106.6 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 175.3 | -76.9 | 177.8 | -170.5 | 0 | 0 | 111 | R48 Q49 E54 M55 T56 | R48-E52 WeakPolarHBondContact O-CG 3.42Å; R48-E52 PolarHBondContact O-N 2.92Å; Q49-E52 PolarHBondContact O-N 3.26Å; E52-E54 PolarHBondContact O-N 2.95Å; E52-M55 PolarHBondContact O-N 3.41Å; E52-T56 VanDerWaalsContact O-CG2 3.31Å; E52-T56 WeakPolarHBondContact O-CG2 3.4Å; E52-T56 PolarHBondContact O-N 2.86Å |
| 53 | D | 92.6 | Very high | 86.3 | Confident | 83 Ų | 83 | 107 Ų | 107 | 44% | 0.444 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 175.2 | -73.5 | -21.2 | 0 | 0 | 0 | 111.2 | Q49 S50 M55 T56 I57 | Q49-D53 WeakPolarHBondContact O-CB 3.33Å; Q49-D53 PolarHBondContact O-N 2.94Å; S50-D53 PolarHBondContact O-N 3.44Å; D53-M55 VanDerWaalsContact C-N 3.33Å; D53-M55 PolarHBondContact O-N 3.26Å; D53-T56 PolarHBondContact O-N 3.26Å; D53-T56 PolarHBondContact O-OG1 3.44Å; D53-I57 WeakPolarHBondContact O-CG1 3.47Å; D53-I57 PolarHBondContact O-N 3.28Å |
| 54 | E | 88.4 | Confident | 87.1 | Confident | 117 Ų | 117 | 108 Ų | 108 | 55% | 0.547 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 176.7 | -171.8 | 173.8 | -171.5 | 0 | 0 | 111.9 | S50 L51 E52 T56 I57 M58 | S50-E54 WeakPolarHBondContact O-CB 3.38Å; S50-E54 PolarHBondContact O-N 3.32Å; L51-E54 PolarHBondContact O-N 3.48Å; E52-E54 PolarHBondContact O-N 2.95Å; E54-T56 PolarHBondContact O-N 3.43Å; E54-I57 PolarHBondContact O-N 2.97Å; E54-M58 WeakPolarHBondContact O-CG 3.4Å; E54-M58 PolarHBondContact O-N 3.17Å |
| 55 | M | 88.5 | Confident | 87.5 | Confident | 141 Ų | 141 | 111.4 Ų | 111.4 | 70% | 0.695 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.6 | -40.3 | 177.2 | -168 | 175.1 | -171.3 | 0 | 0 | 111.8 | L51 E52 D53 M58 N59 | L51-M55 WeakPolarHBondContact O-CB 3.47Å; L51-M55 PolarHBondContact O-N 2.93Å; E52-M55 PolarHBondContact O-N 3.41Å; D53-M55 VanDerWaalsContact C-N 3.33Å; D53-M55 PolarHBondContact O-N 3.26Å; M55-M58 PolarHBondContact O-N 3.4Å; M55-N59 WeakPolarHBondContact O-CB 3.31Å; M55-N59 PolarHBondContact O-N 3.48Å |
| 56 | T | 91.1 | Very high | 87.5 | Confident | 87 Ų | 87 | 110.7 Ų | 110.7 | 53% | 0.534 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 176.4 | 63.9 | 0 | 0 | 0 | 0 | 112 | E52 D53 E54 N59 D60 | E52-T56 VanDerWaalsContact O-CG2 3.31Å; E52-T56 WeakPolarHBondContact O-CG2 3.4Å; E52-T56 PolarHBondContact O-N 2.86Å; D53-T56 PolarHBondContact O-N 3.26Å; D53-T56 PolarHBondContact O-OG1 3.44Å; E54-T56 PolarHBondContact O-N 3.43Å; T56-N59 PolarHBondContact O-N 2.96Å; T56-D60 PolarHBondContact O-N 3.33Å |
| 57 | I | 91.7 | Very high | 87.6 | Confident | 88 Ų | 88 | 111.1 Ų | 111.1 | 45% | 0.451 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 177 | -67 | 165.9 | 0 | 0 | 0 | 110.7 | D53 E54 N59 D60 R61 | D53-I57 WeakPolarHBondContact O-CG1 3.47Å; D53-I57 PolarHBondContact O-N 3.28Å; E54-I57 PolarHBondContact O-N 2.97Å; I57-N59 VanDerWaalsContact C-N 3.34Å; I57-D60 PolarHBondContact O-N 3.31Å; I57-R61 WeakPolarHBondContact O-CG 3.45Å; I57-R61 PolarHBondContact O-N 3.35Å |
| 58 | M | 90.1 | Very high | 87.7 | Confident | 114 Ų | 114 | 110.6 Ų | 110.6 | 56% | 0.562 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64 | -40.5 | 177.3 | -73.8 | -148.9 | -68.3 | 0 | 0 | 112.1 | E54 M55 R61 M62 | E54-M58 WeakPolarHBondContact O-CG 3.4Å; E54-M58 PolarHBondContact O-N 3.17Å; M55-M58 PolarHBondContact O-N 3.4Å; M58-R61 PolarHBondContact O-N 3.47Å; M58-M62 PolarHBondContact O-N 3.19Å |
| 59 | N | 89.3 | Confident | 87.5 | Confident | 93 Ų | 93 | 107.3 Ų | 107.3 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 178.5 | -174.5 | 68.6 | 0 | 0 | 0 | 112.3 | M55 T56 I57 R61 M62 Q63 | M55-N59 WeakPolarHBondContact O-CB 3.31Å; M55-N59 PolarHBondContact O-N 3.48Å; T56-N59 PolarHBondContact O-N 2.96Å; I57-N59 VanDerWaalsContact C-N 3.34Å; N59-R61 PolarHBondContact O-N 3.05Å; N59-M62 WeakPolarHBondContact O-CB 3.45Å; N59-M62 PolarHBondContact O-N 3.35Å; N59-Q63 WeakPolarHBondContact O-CG 3.16Å; N59-Q63 PolarHBondContact O-N 3.5Å |
| 60 | D | 90.8 | Very high | 87.2 | Confident | 104 Ų | 104 | 108.4 Ų | 108.4 | 56% | 0.556 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.7 | -43.2 | 175.5 | -176.8 | 69.9 | 0 | 0 | 0 | 112 | T56 I57 M62 Q63 K64 | T56-D60 PolarHBondContact O-N 3.33Å; I57-D60 PolarHBondContact O-N 3.31Å; D60-M62 VanDerWaalsContact C-N 3.34Å; D60-M62 PolarHBondContact O-N 2.96Å; D60-Q63 PolarHBondContact O-N 3.49Å; D60-K64 PolarHBondContact O-N 3.27Å |
| 61 | R | 88.9 | Confident | 86.9 | Confident | 149 Ų | 149 | 109.5 Ų | 109.5 | 56% | 0.562 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.8 | -43.1 | 175 | -70.4 | 176.5 | -176.2 | 178.9 | 3.3 | 112 | I57 M58 N59 Q63 K64 Y65 | I57-R61 WeakPolarHBondContact O-CG 3.45Å; I57-R61 PolarHBondContact O-N 3.35Å; M58-R61 PolarHBondContact O-N 3.47Å; N59-R61 PolarHBondContact O-N 3.05Å; R61-Q63 PolarHBondContact O-N 2.73Å; R61-K64 WeakPolarHBondContact O-CB 3.34Å; R61-K64 PolarHBondContact O-N 3.29Å; R61-Y65 HydrophobicContact CB-CE2 4.31Å; R61-Y65 WeakPolarHBondContact O-CD2 3.26Å; R61-Y65 PolarHBondContact O-N 3.02Å |
| 62 | M | 86 | Confident | 86.4 | Confident | 115 Ų | 115 | 108.9 Ų | 108.9 | 57% | 0.567 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.7 | -46.9 | 177.3 | -163.7 | 72.8 | 171.7 | 0 | 0 | 111.1 | M58 N59 D60 K64 Y65 D66 | M58-M62 PolarHBondContact O-N 3.19Å; N59-M62 WeakPolarHBondContact O-CB 3.45Å; N59-M62 PolarHBondContact O-N 3.35Å; D60-M62 VanDerWaalsContact C-N 3.34Å; D60-M62 PolarHBondContact O-N 2.96Å; M62-K64 VanDerWaalsContact C-N 3.29Å; M62-K64 PolarHBondContact O-N 3.02Å; M62-Y65 PolarHBondContact O-N 3.01Å; M62-D66 PolarHBondContact O-N 3.22Å |
| 63 | Q | 88.6 | Confident | 85.9 | Confident | 95 Ų | 95 | 111.9 Ų | 111.9 | 44% | 0.444 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.2 | -35.8 | 177 | -71.4 | -174.1 | -7.1 | 0 | 0 | 112.8 | N59 D60 R61 K67 | N59-Q63 WeakPolarHBondContact O-CG 3.16Å; N59-Q63 PolarHBondContact O-N 3.5Å; D60-Q63 PolarHBondContact O-N 3.49Å; R61-Q63 PolarHBondContact O-N 2.73Å; Q63-K67 WeakPolarHBondContact O-CG 3.37Å; Q63-K67 PolarHBondContact O-N 2.89Å; Q63-K67 VanDerWaalsContact O-N 3.14Å |
| 64 | K | 88.6 | Confident | 85.2 | Confident | 121 Ų | 121 | 109.4 Ų | 109.4 | 53% | 0.526 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 174.9 | -174.6 | 178 | 175.2 | -176.7 | 0 | 111.5 | D60 R61 M62 D66 K67 E68 | D60-K64 PolarHBondContact O-N 3.27Å; R61-K64 WeakPolarHBondContact O-CB 3.34Å; R61-K64 PolarHBondContact O-N 3.29Å; M62-K64 VanDerWaalsContact C-N 3.29Å; M62-K64 PolarHBondContact O-N 3.02Å; K64-D66 VanDerWaalsContact C-N 3.34Å; K64-D66 PolarHBondContact O-N 3.36Å; K64-K67 PolarHBondContact O-N 3.47Å; K64-E68 WeakPolarHBondContact CE-OE1 3.47Å; K64-E68 WeakPolarHBondContact O-CG 3.47Å; K64-E68 PolarHBondContact O-N 2.9Å |
| 65 | Y | 87.1 | Confident | 84.7 | Confident | 134 Ų | 134 | 109 Ų | 109 | 53% | 0.525 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 177 | -65.5 | -44.6 | 0 | 0 | 0 | 112.5 | R61 M62 K67 E68 L69 | R61-Y65 HydrophobicContact CB-CE2 4.31Å; R61-Y65 WeakPolarHBondContact O-CD2 3.26Å; R61-Y65 PolarHBondContact O-N 3.02Å; M62-Y65 PolarHBondContact O-N 3.01Å; Y65-K67 VanDerWaalsContact C-N 3.34Å; Y65-K67 PolarHBondContact O-N 3.45Å; Y65-E68 PolarHBondContact O-N 2.93Å; Y65-L69 WeakPolarHBondContact O-CB 3.47Å; Y65-L69 WeakPolarHBondContact O-CG 3.41Å; Y65-L69 PolarHBondContact O-N 3.48Å |
| 66 | D | 82.4 | Confident | 84.2 | Confident | 90 Ų | 90 | 107.6 Ų | 107.6 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 176.2 | -77.6 | -25.8 | 0 | 0 | 0 | 111.9 | M62 K64 L69 E70 | M62-D66 PolarHBondContact O-N 3.22Å; K64-D66 VanDerWaalsContact C-N 3.34Å; K64-D66 PolarHBondContact O-N 3.36Å; D66-L69 PolarHBondContact O-N 3.3Å; D66-E70 WeakPolarHBondContact O-CB 3.33Å; D66-E70 PolarHBondContact O-N 3.12Å |
| 67 | K | 84.4 | Confident | 83.5 | Confident | 135 Ų | 135 | 112.9 Ų | 112.9 | 59% | 0.587 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.8 | -44.2 | 175.5 | -73.8 | 174.2 | -176.6 | 169.9 | 0 | 112.2 | Q63 K64 Y65 L69 E70 V71 | Q63-K67 WeakPolarHBondContact O-CG 3.37Å; Q63-K67 PolarHBondContact O-N 2.89Å; Q63-K67 VanDerWaalsContact O-N 3.14Å; K64-K67 PolarHBondContact O-N 3.47Å; Y65-K67 VanDerWaalsContact C-N 3.34Å; Y65-K67 PolarHBondContact O-N 3.45Å; K67-L69 VanDerWaalsContact C-N 3.32Å; K67-L69 PolarHBondContact O-N 3.01Å; K67-E70 PolarHBondContact O-N 3.43Å; K67-V71 WeakPolarHBondContact O-CG2 3.45Å; K67-V71 PolarHBondContact O-N 3.31Å |
| 68 | E | 83.3 | Confident | 82.7 | Confident | 92 Ų | 92 | 117.5 Ų | 117.5 | 43% | 0.43 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 176.8 | -73.4 | 177.1 | -170.5 | 0 | 0 | 111.1 | K64 Y65 V71 L72 | K64-E68 WeakPolarHBondContact CE-OE1 3.47Å; K64-E68 WeakPolarHBondContact O-CG 3.47Å; K64-E68 PolarHBondContact O-N 2.9Å; Y65-E68 PolarHBondContact O-N 2.93Å; E68-V71 PolarHBondContact O-N 3.14Å; E68-L72 WeakPolarHBondContact O-CB 3.23Å; E68-L72 VanDerWaalsContact O-CG 3.23Å; E68-L72 WeakPolarHBondContact O-CG 3.38Å; E68-L72 PolarHBondContact O-N 3.47Å |
| 69 | L | 79.7 | Confident | 82.2 | Confident | 82 Ų | 82 | 117.5 Ų | 117.5 | 43% | 0.429 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 174.9 | -76.1 | 174.1 | 0 | 0 | 0 | 112.8 | Y65 D66 K67 R73 | Y65-L69 WeakPolarHBondContact O-CB 3.47Å; Y65-L69 WeakPolarHBondContact O-CG 3.41Å; Y65-L69 PolarHBondContact O-N 3.48Å; D66-L69 PolarHBondContact O-N 3.3Å; K67-L69 VanDerWaalsContact C-N 3.32Å; K67-L69 PolarHBondContact O-N 3.01Å; L69-R73 WeakPolarHBondContact O-CB 3.35Å; L69-R73 VanDerWaalsContact O-CG 3.26Å; L69-R73 WeakPolarHBondContact O-CG 3.16Å; L69-R73 PolarHBondContact O-N 2.98Å |
| 70 | E | 78.9 | Confident | 81.7 | Confident | 144 Ų | 144 | 118.7 Ų | 118.7 | 67% | 0.673 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.9 | -45.6 | 176.9 | -170.2 | 178.3 | 178.8 | 0 | 0 | 111.3 | D66 K67 R73 G74 | D66-E70 WeakPolarHBondContact O-CB 3.33Å; D66-E70 PolarHBondContact O-N 3.12Å; K67-E70 PolarHBondContact O-N 3.43Å; E70-R73 PolarHBondContact O-N 3.38Å; E70-G74 PolarHBondContact O-N 2.93Å |
| 71 | V | 80.1 | Confident | 81.2 | Confident | 84 Ų | 84 | 120.7 Ų | 120.7 | 51% | 0.509 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.3 | -50.1 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | K67 E68 R73 G74 E75 | K67-V71 WeakPolarHBondContact O-CG2 3.45Å; K67-V71 PolarHBondContact O-N 3.31Å; E68-V71 PolarHBondContact O-N 3.14Å; V71-R73 VanDerWaalsContact C-N 3.32Å; V71-R73 PolarHBondContact O-N 2.9Å; V71-G74 WeakPolarHBondContact O-CA 3.36Å; V71-G74 PolarHBondContact O-N 3.44Å; V71-G74 VanDerWaalsContact O-N 3.07Å; V71-E75 HydrophobicContact CG1-CG 4.38Å; V71-E75 WeakPolarHBondContact O-CG 3.25Å; V71-E75 PolarHBondContact O-N 2.84Å |
| 72 | L | 74.6 | Confident | 80.9 | Confident | 103 Ų | 103 | 118.7 Ų | 118.7 | 54% | 0.539 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61 | -38.8 | 179.5 | -72.9 | 171.2 | 0 | 0 | 0 | 112.3 | E68 N76 | E68-L72 WeakPolarHBondContact O-CB 3.23Å; E68-L72 VanDerWaalsContact O-CG 3.23Å; E68-L72 WeakPolarHBondContact O-CG 3.38Å; E68-L72 PolarHBondContact O-N 3.47Å; L72-N76 VanDerWaalsContact O-CB 3.25Å; L72-N76 WeakPolarHBondContact O-CB 3.46Å; L72-N76 PolarHBondContact O-N 3.35Å |
| 73 | R | 79.4 | Confident | 80.9 | Confident | 178 Ų | 178 | 116.8 Ų | 116.8 | 67% | 0.672 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67 | -38.6 | 174.3 | -77.4 | 174.7 | 174.1 | 158.5 | 0.8 | 112 | L69 E70 V71 R77 | L69-R73 WeakPolarHBondContact O-CB 3.35Å; L69-R73 VanDerWaalsContact O-CG 3.26Å; L69-R73 WeakPolarHBondContact O-CG 3.16Å; L69-R73 PolarHBondContact O-N 2.98Å; E70-R73 PolarHBondContact O-N 3.38Å; V71-R73 VanDerWaalsContact C-N 3.32Å; V71-R73 PolarHBondContact O-N 2.9Å; R73-R77 PolarHBondContact O-N 3.28Å; R73-R77 VanDerWaalsContact O-N 3.12Å |
| 74 | G | 78.2 | Confident | 80.9 | Confident | 31 Ų | 31 | 116.8 Ų | 116.8 | 32% | 0.32 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.9 | -46.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E70 V71 R77 R78 | E70-G74 PolarHBondContact O-N 2.93Å; V71-G74 WeakPolarHBondContact O-CA 3.36Å; V71-G74 PolarHBondContact O-N 3.44Å; V71-G74 VanDerWaalsContact O-N 3.07Å; G74-R77 PolarHBondContact O-N 3.44Å; G74-R78 WeakPolarHBondContact O-CG 3.47Å; G74-R78 PolarHBondContact O-N 2.98Å; G74-R78 VanDerWaalsContact O-N 3.08Å |
| 75 | E | 77.2 | Confident | 80.9 | Confident | 108 Ų | 108 | 113.4 Ų | 113.4 | 51% | 0.505 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.8 | -42.3 | 177.1 | -71.4 | -175.4 | 162.1 | 0 | 0 | 112.3 | V71 R77 R78 N79 | V71-E75 HydrophobicContact CG1-CG 4.38Å; V71-E75 WeakPolarHBondContact O-CG 3.25Å; V71-E75 PolarHBondContact O-N 2.84Å; E75-R77 VanDerWaalsContact C-N 3.35Å; E75-R77 PolarHBondContact O-N 2.89Å; E75-R78 PolarHBondContact O-N 3.08Å; E75-R78 VanDerWaalsContact O-N 3.16Å; E75-N79 WeakPolarHBondContact O-CB 3.34Å; E75-N79 PolarHBondContact O-N 3.07Å |
| 76 | N | 77.8 | Confident | 81.1 | Confident | 113 Ų | 113 | 113.1 Ų | 113.1 | 60% | 0.604 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.1 | -43.4 | 177.2 | -166.9 | -26.7 | 0 | 0 | 0 | 111.5 | L72 R78 N79 M80 | L72-N76 VanDerWaalsContact O-CB 3.25Å; L72-N76 WeakPolarHBondContact O-CB 3.46Å; L72-N76 PolarHBondContact O-N 3.35Å; N76-R78 PolarHBondContact O-N 2.91Å; N76-N79 PolarHBondContact O-N 3.01Å; N76-M80 WeakPolarHBondContact O-CB 3.33Å; N76-M80 PolarHBondContact O-N 3.36Å |
| 77 | R | 75.6 | Confident | 81.4 | Confident | 198 Ų | 198 | 114.5 Ų | 114.5 | 75% | 0.747 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60.4 | -43.6 | 173.1 | -81.9 | -171.9 | 176.8 | -165.4 | 1 | 112.6 | R73 G74 E75 M81 | R73-R77 PolarHBondContact O-N 3.28Å; R73-R77 VanDerWaalsContact O-N 3.12Å; G74-R77 PolarHBondContact O-N 3.44Å; E75-R77 VanDerWaalsContact C-N 3.35Å; E75-R77 PolarHBondContact O-N 2.89Å; R77-M81 PolarHBondContact O-N 2.96Å |
| 78 | R | 76.6 | Confident | 81.7 | Confident | 185 Ų | 185 | 110.3 Ų | 110.3 | 70% | 0.698 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.7 | -44.1 | 177.9 | -72.4 | 174.1 | -177.9 | 174.4 | 1.4 | 111.4 | G74 E75 N76 M81 L82 | G74-R78 WeakPolarHBondContact O-CG 3.47Å; G74-R78 PolarHBondContact O-N 2.98Å; G74-R78 VanDerWaalsContact O-N 3.08Å; E75-R78 PolarHBondContact O-N 3.08Å; E75-R78 VanDerWaalsContact O-N 3.16Å; N76-R78 PolarHBondContact O-N 2.91Å; R78-M81 PolarHBondContact O-N 3.44Å; R78-L82 WeakPolarHBondContact O-CG 3.36Å; R78-L82 PolarHBondContact O-N 3.06Å |
| 79 | N | 78.6 | Confident | 82.1 | Confident | 113 Ų | 113 | 109.3 Ų | 109.3 | 60% | 0.604 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.2 | -40 | -179.8 | -162.1 | 34.3 | 0 | 0 | 0 | 111.8 | E75 N76 M81 L82 S83 | E75-N79 WeakPolarHBondContact O-CB 3.34Å; E75-N79 PolarHBondContact O-N 3.07Å; N76-N79 PolarHBondContact O-N 3.01Å; N79-M81 PolarHBondContact O-N 3.36Å; N79-L82 PolarHBondContact O-N 3.5Å; N79-S83 WeakPolarHBondContact O-CB 3.5Å; N79-S83 PolarHBondContact O-N 2.94Å |
| 80 | M | 80 | Confident | 82.5 | Confident | 119 Ų | 119 | 108.5 Ų | 108.5 | 59% | 0.586 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59.3 | -47 | 172.1 | -174.1 | -175.2 | 70.2 | 0 | 0 | 111.1 | N76 L82 S83 V84 | N76-M80 WeakPolarHBondContact O-CB 3.33Å; N76-M80 PolarHBondContact O-N 3.36Å; M80-L82 VanDerWaalsContact C-N 3.34Å; M80-L82 PolarHBondContact O-N 3.45Å; M80-S83 PolarHBondContact O-N 3.16Å; M80-V84 WeakPolarHBondContact O-CG2 3.47Å; M80-V84 PolarHBondContact O-N 2.8Å |
| 81 | M | 79.9 | Confident | 82.9 | Confident | 145 Ų | 145 | 104 Ų | 104 | 71% | 0.714 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.9 | -39.9 | 179 | -168.4 | 175.4 | -165.9 | 0 | 0 | 112.3 | R77 R78 N79 V84 A85 | R77-M81 PolarHBondContact O-N 2.96Å; R78-M81 PolarHBondContact O-N 3.44Å; N79-M81 PolarHBondContact O-N 3.36Å; M81-V84 PolarHBondContact O-N 2.95Å; M81-A85 WeakPolarHBondContact O-CB 3.43Å; M81-A85 PolarHBondContact O-N 3.24Å |
| 82 | L | 82.4 | Confident | 83.3 | Confident | 107 Ų | 107 | 106 Ų | 106 | 56% | 0.56 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.4 | -43.5 | 175.2 | -71.3 | 172.6 | 0 | 0 | 0 | 112 | R78 N79 M80 V84 A85 L86 | R78-L82 WeakPolarHBondContact O-CG 3.36Å; R78-L82 PolarHBondContact O-N 3.06Å; N79-L82 PolarHBondContact O-N 3.5Å; M80-L82 VanDerWaalsContact C-N 3.34Å; M80-L82 PolarHBondContact O-N 3.45Å; L82-V84 VanDerWaalsContact C-N 3.35Å; L82-V84 PolarHBondContact O-N 2.94Å; L82-A85 PolarHBondContact O-N 3.35Å; L82-L86 WeakPolarHBondContact O-CG 3.35Å; L82-L86 PolarHBondContact O-N 2.91Å |
| 83 | S | 85.5 | Confident | 84.1 | Confident | 76 Ų | 76 | 106.9 Ų | 106.9 | 53% | 0.531 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.7 | -43.8 | 176.3 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | N79 M80 L86 L87 | N79-S83 WeakPolarHBondContact O-CB 3.5Å; N79-S83 PolarHBondContact O-N 2.94Å; M80-S83 PolarHBondContact O-N 3.16Å; S83-L86 PolarHBondContact O-N 3.41Å; S83-L87 WeakPolarHBondContact O-CB 3.3Å; S83-L87 PolarHBondContact O-N 3.01Å |
| 84 | V | 87.8 | Confident | 84.5 | Confident | 94 Ų | 94 | 106.2 Ų | 106.2 | 57% | 0.57 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.8 | -42.6 | 175.8 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | M80 M81 L82 L87 A88 | M80-V84 WeakPolarHBondContact O-CG2 3.47Å; M80-V84 PolarHBondContact O-N 2.8Å; M81-V84 PolarHBondContact O-N 2.95Å; L82-V84 VanDerWaalsContact C-N 3.35Å; L82-V84 PolarHBondContact O-N 2.94Å; V84-L87 PolarHBondContact O-N 3.45Å; V84-A88 WeakPolarHBondContact O-CB 3.5Å; V84-A88 PolarHBondContact O-N 2.96Å |
| 85 | A | 89.3 | Confident | 84.9 | Confident | 51 Ų | 51 | 112 Ų | 112 | 42% | 0.421 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.7 | -43.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | M81 L82 L87 A88 V89 | M81-A85 WeakPolarHBondContact O-CB 3.43Å; M81-A85 PolarHBondContact O-N 3.24Å; L82-A85 PolarHBondContact O-N 3.35Å; A85-L87 VanDerWaalsContact C-N 3.33Å; A85-L87 PolarHBondContact O-N 2.91Å; A85-A88 PolarHBondContact O-N 2.94Å; A85-V89 WeakPolarHBondContact O-CG2 3.3Å; A85-V89 PolarHBondContact O-N 3.29Å |
| 86 | L | 91.4 | Very high | 85.1 | Confident | 128 Ų | 128 | 109.6 Ų | 109.6 | 67% | 0.67 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.1 | -40.6 | 175.6 | -72.7 | 173.4 | 0 | 0 | 0 | 112.1 | L82 S83 V89 S90 | L82-L86 WeakPolarHBondContact O-CG 3.35Å; L82-L86 PolarHBondContact O-N 2.91Å; S83-L86 PolarHBondContact O-N 3.41Å; L86-V89 PolarHBondContact O-N 3.34Å; L86-S90 WeakPolarHBondContact O-CB 3.34Å; L86-S90 PolarHBondContact O-N 2.92Å; L86-S90 PolarHBondContact O-OG 3.5Å |
| 87 | L | 89.9 | Confident | 85.1 | Confident | 118 Ų | 118 | 111.7 Ų | 111.7 | 62% | 0.618 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.5 | -39.1 | 176.5 | -170.4 | 149.3 | 0 | 0 | 0 | 111.9 | S83 V84 A85 S90 A91 | S83-L87 WeakPolarHBondContact O-CB 3.3Å; S83-L87 PolarHBondContact O-N 3.01Å; V84-L87 PolarHBondContact O-N 3.45Å; A85-L87 VanDerWaalsContact C-N 3.33Å; A85-L87 PolarHBondContact O-N 2.91Å; L87-S90 WeakPolarHBondContact CA-OG 3.44Å; L87-S90 PolarHBondContact O-N 3.47Å; L87-S90 PolarHBondContact O-OG 2.88Å; L87-A91 VanDerWaalsContact O-CB 3.3Å; L87-A91 WeakPolarHBondContact O-CB 3.38Å; L87-A91 PolarHBondContact O-N 3.3Å |
| 88 | A | 89.9 | Confident | 84.8 | Confident | 48 Ų | 48 | 107.1 Ų | 107.1 | 40% | 0.397 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.7 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V84 A85 A91 L92 | V84-A88 WeakPolarHBondContact O-CB 3.5Å; V84-A88 PolarHBondContact O-N 2.96Å; A85-A88 PolarHBondContact O-N 2.94Å; A88-A91 PolarHBondContact O-N 3.28Å; A88-L92 VanDerWaalsContact O-CG 3.3Å; A88-L92 WeakPolarHBondContact O-CG 3.33Å; A88-L92 PolarHBondContact O-N 3.47Å |
| 89 | V | 91.6 | Very high | 84 | Confident | 71 Ų | 71 | 104.9 Ų | 104.9 | 43% | 0.43 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.1 | -45.1 | 176.1 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | A85 L86 A91 L92 F93 | A85-V89 WeakPolarHBondContact O-CG2 3.3Å; A85-V89 PolarHBondContact O-N 3.29Å; L86-V89 PolarHBondContact O-N 3.34Å; V89-A91 PolarHBondContact O-N 3.38Å; V89-L92 PolarHBondContact O-N 3.31Å; V89-F93 HydrophobicContact CG1-CD2 3.63Å; V89-F93 HydrophobicContact CG1-CE2 3.4Å; V89-F93 VanDerWaalsContact CG1-CE2 3.4Å; V89-F93 WeakPolarHBondContact O-CD2 3.37Å; V89-F93 PolarHBondContact O-N 3.35Å |
| 90 | S | 87.9 | Confident | 82.9 | Confident | 65 Ų | 65 | 111.8 Ų | 111.8 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.3 | -37.8 | 177.9 | 69.2 | 0 | 0 | 0 | 0 | 112.4 | L86 L87 F93 Y94 | L86-S90 WeakPolarHBondContact O-CB 3.34Å; L86-S90 PolarHBondContact O-N 2.92Å; L86-S90 PolarHBondContact O-OG 3.5Å; L87-S90 WeakPolarHBondContact CA-OG 3.44Å; L87-S90 PolarHBondContact O-N 3.47Å; L87-S90 PolarHBondContact O-OG 2.88Å; S90-F93 PolarHBondContact O-N 3.48Å; S90-Y94 WeakPolarHBondContact O-CB 3.47Å; S90-Y94 PolarHBondContact O-N 3.39Å |
| 91 | A | 87.7 | Confident | 83.1 | Confident | 50 Ų | 50 | 111.5 Ų | 111.5 | 41% | 0.413 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.5 | -39.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L87 A88 V89 Y94 Y95 | L87-A91 VanDerWaalsContact O-CB 3.3Å; L87-A91 WeakPolarHBondContact O-CB 3.38Å; L87-A91 PolarHBondContact O-N 3.3Å; A88-A91 PolarHBondContact O-N 3.28Å; V89-A91 PolarHBondContact O-N 3.38Å; A91-Y94 PolarHBondContact O-N 2.98Å; A91-Y95 WeakPolarHBondContact O-CB 3.15Å; A91-Y95 PolarHBondContact O-N 2.8Å |
| 92 | L | 88.7 | Confident | 83.2 | Confident | 125 Ų | 125 | 109.7 Ų | 109.7 | 65% | 0.654 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.6 | -43.1 | 174.4 | -73.1 | 172.9 | 0 | 0 | 0 | 111.5 | A88 V89 Y95 A96 | A88-L92 VanDerWaalsContact O-CG 3.3Å; A88-L92 WeakPolarHBondContact O-CG 3.33Å; A88-L92 PolarHBondContact O-N 3.47Å; V89-L92 PolarHBondContact O-N 3.31Å; L92-Y95 PolarHBondContact O-N 2.9Å; L92-A96 VanDerWaalsContact O-CB 3.22Å; L92-A96 WeakPolarHBondContact O-CB 3.42Å; L92-A96 PolarHBondContact O-N 2.94Å |
| 93 | F | 90.4 | Very high | 83.3 | Confident | 122 Ų | 122 | 109.8 Ų | 109.8 | 54% | 0.535 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.2 | -45.1 | 173.1 | -78.8 | -61.3 | 0 | 0 | 0 | 111.8 | V89 S90 Y95 A96 F97 | V89-F93 HydrophobicContact CG1-CD2 3.63Å; V89-F93 HydrophobicContact CG1-CE2 3.4Å; V89-F93 VanDerWaalsContact CG1-CE2 3.4Å; V89-F93 WeakPolarHBondContact O-CD2 3.37Å; V89-F93 PolarHBondContact O-N 3.35Å; S90-F93 PolarHBondContact O-N 3.48Å; F93-Y95 VanDerWaalsContact C-N 3.31Å; F93-Y95 PolarHBondContact O-N 3.42Å; F93-A96 PolarHBondContact O-N 3.45Å; F93-F97 HydrophobicContact CB-CD2 4.32Å; F93-F97 HydrophobicContact CD1-CD2 4.15Å; F93-F97 AromaticContact CD1-CE2 3.82Å; F93-F97 HydrophobicContact CD1-CE2 3.82Å; F93-F97 HydrophobicContact CE1-CE2 4.48Å; F93-F97 WeakPolarHBondContact O-CB 3.44Å; F93-F97 WeakPolarHBondContact O-CD2 3.25Å; F93-F97 PolarHBondContact O-N 3.04Å |
| 94 | Y | 89.1 | Confident | 83.1 | Confident | 163 Ų | 163 | 111.8 Ų | 111.8 | 64% | 0.639 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -56.1 | -48 | 176.9 | 178.5 | -91.3 | 0 | 0 | 0 | 111 | S90 A91 I98 | S90-Y94 WeakPolarHBondContact O-CB 3.47Å; S90-Y94 PolarHBondContact O-N 3.39Å; A91-Y94 PolarHBondContact O-N 2.98Å; Y94-I98 HydrophobicContact CD1-CD1 3.96Å; Y94-I98 HydrophobicContact CD2-CD1 3.36Å; Y94-I98 HydrophobicContact CE1-CD1 3.62Å; Y94-I98 HydrophobicContact CE2-CD1 2.99Å; Y94-I98 HydrophobicContact CE2-CG1 4.45Å; Y94-I98 HydrophobicContact CG-CD1 3.83Å; Y94-I98 VanDerWaalsContact O-CB 3.25Å; Y94-I98 WeakPolarHBondContact O-CB 3.25Å; Y94-I98 WeakPolarHBondContact O-CG1 3.32Å; Y94-I98 PolarHBondContact O-N 2.8Å |
| 95 | Y | 85.6 | Confident | 82.8 | Confident | 153 Ų | 153 | 112.9 Ų | 112.9 | 60% | 0.6 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.8 | -47.6 | 176.8 | -169.6 | -97 | 0 | 0 | 0 | 111.1 | A91 L92 F93 F97 I98 H99 | A91-Y95 WeakPolarHBondContact O-CB 3.15Å; A91-Y95 PolarHBondContact O-N 2.8Å; L92-Y95 PolarHBondContact O-N 2.9Å; F93-Y95 VanDerWaalsContact C-N 3.31Å; F93-Y95 PolarHBondContact O-N 3.42Å; Y95-F97 PolarHBondContact O-N 3.39Å; Y95-I98 PolarHBondContact O-N 2.86Å; Y95-H99 AromaticContact CD2-CD2 3.88Å; Y95-H99 HydrophobicContact CE1-CB 4.5Å; Y95-H99 AromaticContact CE2-CD2 3.38Å; Y95-H99 WeakPolarHBondContact CE2-CD2 3.18Å; Y95-H99 AromaticContact CE2-NE2 3.88Å; Y95-H99 AromaticContact CZ-CD2 3.68Å; Y95-H99 VanDerWaalsContact O-CB 3.25Å; Y95-H99 WeakPolarHBondContact O-CB 3.35Å; Y95-H99 PolarHBondContact O-N 3.22Å |
| 96 | A | 82.6 | Confident | 82.4 | Confident | 57 Ų | 57 | 117.1 Ų | 117.1 | 47% | 0.471 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.4 | -34.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L92 F93 Y100 | L92-A96 VanDerWaalsContact O-CB 3.22Å; L92-A96 WeakPolarHBondContact O-CB 3.42Å; L92-A96 PolarHBondContact O-N 2.94Å; F93-A96 PolarHBondContact O-N 3.45Å; A96-Y100 WeakPolarHBondContact O-CB 3.22Å |
| 97 | F | 76.8 | Confident | 81.8 | Confident | 158 Ų | 158 | 116.3 Ų | 116.3 | 69% | 0.693 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -87.1 | -18.6 | -179 | -87.6 | -83.6 | 0 | 0 | 0 | 114.2 | F93 Y95 | F93-F97 HydrophobicContact CB-CD2 4.32Å; F93-F97 HydrophobicContact CD1-CD2 4.15Å; F93-F97 AromaticContact CD1-CE2 3.82Å; F93-F97 HydrophobicContact CD1-CE2 3.82Å; F93-F97 HydrophobicContact CE1-CE2 4.48Å; F93-F97 WeakPolarHBondContact O-CB 3.44Å; F93-F97 WeakPolarHBondContact O-CD2 3.25Å; F93-F97 PolarHBondContact O-N 3.04Å; Y95-F97 PolarHBondContact O-N 3.39Å |
| 98 | I | 69.2 | Low | 81.2 | Confident | 101 Ų | 101 | 116.2 Ų | 116.2 | 52% | 0.518 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -100.4 | -28.2 | 178.7 | -71.9 | 170.7 | 0 | 0 | 0 | 112 | Y94 Y95 | Y94-I98 HydrophobicContact CD1-CD1 3.96Å; Y94-I98 HydrophobicContact CD2-CD1 3.36Å; Y94-I98 HydrophobicContact CE1-CD1 3.62Å; Y94-I98 HydrophobicContact CE2-CD1 2.99Å; Y94-I98 HydrophobicContact CE2-CG1 4.45Å; Y94-I98 HydrophobicContact CG-CD1 3.83Å; Y94-I98 VanDerWaalsContact O-CB 3.25Å; Y94-I98 WeakPolarHBondContact O-CB 3.25Å; Y94-I98 WeakPolarHBondContact O-CG1 3.32Å; Y94-I98 PolarHBondContact O-N 2.8Å; Y95-I98 PolarHBondContact O-N 2.86Å |
| 99 | H | 60.6 | Low | 80.4 | Confident | 138 Ų | 138 | 121.8 Ų | 121.8 | 64% | 0.639 | 59% | 0.589 | S | S | * | * | trans | -89 | -0.6 | 175 | -108.2 | -75.2 | 0 | 0 | 0 | 114.2 | Y95 | Y95-H99 AromaticContact CD2-CD2 3.88Å; Y95-H99 HydrophobicContact CE1-CB 4.5Å; Y95-H99 AromaticContact CE2-CD2 3.38Å; Y95-H99 WeakPolarHBondContact CE2-CD2 3.18Å; Y95-H99 AromaticContact CE2-NE2 3.88Å; Y95-H99 AromaticContact CZ-CD2 3.68Å; Y95-H99 VanDerWaalsContact O-CB 3.25Å; Y95-H99 WeakPolarHBondContact O-CB 3.35Å; Y95-H99 PolarHBondContact O-N 3.22Å | ||
| 100 | Y | 55.1 | Low | 79.4 | Confident | 259 Ų | 259 | 126.5 Ų | 126.5 | 100% | 1.016 | 60% | 0.603 | S | S | * | * | trans | -111.1 | 0 | 171.5 | -170.8 | -85.8 | 0 | 0 | 0 | 109.5 | A96 | A96-Y100 WeakPolarHBondContact O-CB 3.22Š|
Retrieved 100 of 100 residues in 851.4 ms
(Link to these results)