| 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 | 41.2 | Very low | 48.9 | Very low | 249 Ų | 249 | 167.4 Ų | 167.4 | 100% | 1.227 | 80% | 0.797 | S | S | * | * | 0 | 71.9 | 0 | -68 | -172.8 | 178.2 | 0 | 0 | 110.7 | |||||
| 2 | A | 50.4 | Low | 49.4 | Very low | 91 Ų | 91 | 161.8 Ų | 161.8 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -146.2 | 36.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3 | K | 46 | Very low | 50.5 | Low | 209 Ų | 209 | 154.2 Ų | 154.2 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -126.3 | 16.1 | 179.3 | -81.6 | -156.2 | 175.5 | -172.7 | 0 | 114.8 | ||
| 4 | M | 47.8 | Very low | 52.1 | Low | 183 Ų | 183 | 150.9 Ų | 150.9 | 90% | 0.901 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -117.1 | -5.7 | -178 | -94.3 | 176.3 | 146.4 | 0 | 0 | 115.1 | ||
| 5 | K | 48.5 | Very low | 53.7 | Low | 184 Ų | 184 | 144.3 Ų | 144.3 | 80% | 0.8 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -97.4 | -17.1 | -175.2 | -78.2 | -174.1 | 175 | 179.8 | 0 | 115.5 | ||
| 6 | D | 50.2 | Low | 55.2 | Low | 121 Ų | 121 | 138.1 Ų | 138.1 | 65% | 0.647 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -82.3 | -32 | -176.2 | -65.5 | -50.5 | 0 | 0 | 0 | 113.7 | K8 R9 | D6-K8 PolarHBondContact O-N 3.26Å; D6-K8 VanDerWaalsContact O-N 3.11Å; D6-R9 PolarHBondContact O-N 3.11Å |
| 7 | K | 49.7 | Very low | 56.8 | Low | 173 Ų | 173 | 136.6 Ų | 136.6 | 75% | 0.752 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -70.3 | -11.3 | -178 | -164.3 | 155.4 | -177.5 | 156.9 | 0 | 114.5 | ||
| 8 | K | 48.5 | Very low | 58.3 | Low | 171 Ų | 171 | 133.6 Ų | 133.6 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -92.5 | -15.6 | 179.2 | -156.2 | 177.4 | -177.2 | -176.5 | 0 | 113.1 | D6 V12 | D6-K8 PolarHBondContact O-N 3.26Å; D6-K8 VanDerWaalsContact O-N 3.11Å; K8-V12 WeakPolarHBondContact O-CG2 3.45Å |
| 9 | R | 50.8 | Low | 59.8 | Low | 208 Ų | 208 | 131.9 Ų | 131.9 | 79% | 0.785 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -87.3 | -25.8 | -179.1 | -80.4 | -174.1 | 171.3 | -139.3 | -1.5 | 113.8 | D6 | D6-R9 PolarHBondContact O-N 3.11Å |
| 10 | E | 53.7 | Low | 61.1 | Low | 139 Ų | 139 | 133.8 Ų | 133.8 | 65% | 0.65 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -74.2 | -37.7 | 177.4 | -73.4 | 177.6 | 145.9 | 0 | 0 | 112.7 | V12 S13 I14 | E10-V12 VanDerWaalsContact C-N 3.32Å; E10-V12 PolarHBondContact O-N 3.02Å; E10-S13 PolarHBondContact O-N 3.4Å; E10-S13 VanDerWaalsContact O-N 3.17Å; E10-I14 PolarHBondContact O-N 2.97Å |
| 11 | N | 51.6 | Low | 62.3 | Low | 113 Ų | 113 | 132.3 Ų | 132.3 | 60% | 0.604 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74.6 | -19.8 | -178.6 | -66.1 | -22.3 | 0 | 0 | 0 | 113.9 | S13 | N11-S13 VanDerWaalsContact C-N 3.31Å |
| 12 | V | 54.6 | Low | 64.6 | Low | 101 Ų | 101 | 126.1 Ų | 126.1 | 61% | 0.612 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -76.1 | -23.7 | 172.5 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | K8 E10 S16 | K8-V12 WeakPolarHBondContact O-CG2 3.45Å; E10-V12 VanDerWaalsContact C-N 3.32Å; E10-V12 PolarHBondContact O-N 3.02Å; V12-S16 WeakPolarHBondContact O-CB 3.31Å; V12-S16 PolarHBondContact O-OG 3.47Å |
| 13 | S | 63.4 | Low | 66.4 | Low | 62 Ų | 62 | 126.7 Ų | 126.7 | 43% | 0.434 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -80.4 | -49.5 | -177.3 | -155.6 | 0 | 0 | 0 | 0 | 111.8 | E10 N11 S16 E17 | E10-S13 PolarHBondContact O-N 3.4Å; E10-S13 VanDerWaalsContact O-N 3.17Å; N11-S13 VanDerWaalsContact C-N 3.31Å; S13-S16 PolarHBondContact O-OG 2.89Å; S13-E17 VanDerWaalsContact O-CB 3.31Å; S13-E17 WeakPolarHBondContact O-CB 3.4Å; S13-E17 PolarHBondContact O-N 3.17Å |
| 14 | I | 73.4 | Confident | 68.5 | Low | 109 Ų | 109 | 125.4 Ų | 125.4 | 56% | 0.559 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73.1 | -43.3 | -171.8 | -60.8 | 173.2 | 0 | 0 | 0 | 112.2 | E10 S16 E17 I18 | E10-I14 PolarHBondContact O-N 2.97Å; I14-S16 PolarHBondContact O-N 3.5Å; I14-E17 PolarHBondContact O-N 3.16Å; I14-E17 VanDerWaalsContact O-N 3.16Å; I14-I18 HydrophobicContact CG2-CD1 3.88Å; I14-I18 HydrophobicContact CG2-CG1 4.37Å; I14-I18 VanDerWaalsContact O-CG1 3.32Å; I14-I18 WeakPolarHBondContact O-CG1 3.46Å; I14-I18 PolarHBondContact O-N 2.76Å |
| 15 | A | 75.4 | Confident | 70.6 | Confident | 51 Ų | 51 | 124.4 Ų | 124.4 | 42% | 0.421 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.3 | -44.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E17 I18 D19 | A15-E17 PolarHBondContact O-N 3.16Å; A15-I18 PolarHBondContact O-N 3.25Å; A15-D19 VanDerWaalsContact O-CG 3.3Å; A15-D19 PolarHBondContact O-N 3.01Å |
| 16 | S | 78.6 | Confident | 72.5 | Confident | 45 Ų | 45 | 122.2 Ų | 122.2 | 32% | 0.315 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.3 | -27 | 176.7 | 74.6 | 0 | 0 | 0 | 0 | 113.3 | V12 S13 I14 R20 | V12-S16 WeakPolarHBondContact O-CB 3.31Å; V12-S16 PolarHBondContact O-OG 3.47Å; S13-S16 PolarHBondContact O-OG 2.89Å; I14-S16 PolarHBondContact O-N 3.5Å; S16-R20 WeakPolarHBondContact O-CB 3.2Å; S16-R20 WeakPolarHBondContact O-CD 3.32Å; S16-R20 WeakPolarHBondContact O-CG 3.43Å; S16-R20 PolarHBondContact O-N 3.17Å; S16-R20 VanDerWaalsContact O-N 3.16Å |
| 17 | E | 81.9 | Confident | 74.4 | Confident | 114 Ų | 114 | 123.5 Ų | 123.5 | 53% | 0.533 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -80.7 | -34.7 | 178.5 | -161.1 | 133.4 | -156.4 | 0 | 0 | 111.4 | S13 I14 A15 L21 | S13-E17 VanDerWaalsContact O-CB 3.31Å; S13-E17 WeakPolarHBondContact O-CB 3.4Å; S13-E17 PolarHBondContact O-N 3.17Å; I14-E17 PolarHBondContact O-N 3.16Å; I14-E17 VanDerWaalsContact O-N 3.16Å; A15-E17 PolarHBondContact O-N 3.16Å; E17-L21 WeakPolarHBondContact O-CB 3.41Å; E17-L21 WeakPolarHBondContact O-CG 3.46Å; E17-L21 PolarHBondContact O-N 2.92Å |
| 18 | I | 83.6 | Confident | 76.1 | Confident | 82 Ų | 82 | 119.3 Ų | 119.3 | 42% | 0.421 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.3 | -52.2 | 168.3 | -68.5 | 167.2 | 0 | 0 | 0 | 109.8 | I14 A15 R20 L21 E22 | I14-I18 HydrophobicContact CG2-CD1 3.88Å; I14-I18 HydrophobicContact CG2-CG1 4.37Å; I14-I18 VanDerWaalsContact O-CG1 3.32Å; I14-I18 WeakPolarHBondContact O-CG1 3.46Å; I14-I18 PolarHBondContact O-N 2.76Å; A15-I18 PolarHBondContact O-N 3.25Å; I18-R20 VanDerWaalsContact C-N 3.27Å; I18-R20 PolarHBondContact O-N 3.41Å; I18-L21 CarbonylContact O-C 3.58Å; I18-L21 WeakPolarHBondContact O-CA 3.49Å; I18-L21 WeakPolarHBondContact O-CB 3.2Å; I18-L21 PolarHBondContact O-N 2.81Å; I18-E22 HydrophobicContact CG2-CG 4.23Å; I18-E22 WeakPolarHBondContact O-CG 3.37Å; I18-E22 PolarHBondContact O-N 2.98Å |
| 19 | D | 86.6 | Confident | 78.1 | Confident | 101 Ų | 101 | 115.8 Ų | 115.8 | 54% | 0.54 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -56.8 | -42.5 | -180 | -67.7 | -17.2 | 0 | 0 | 0 | 111.5 | A15 L21 E22 E23 | A15-D19 VanDerWaalsContact O-CG 3.3Å; A15-D19 PolarHBondContact O-N 3.01Å; D19-L21 PolarHBondContact O-N 3.28Å; D19-E22 PolarHBondContact O-N 2.89Å; D19-E23 WeakPolarHBondContact O-CB 3.24Å; D19-E23 PolarHBondContact O-N 3.1Å |
| 20 | R | 85.3 | Confident | 80 | Confident | 169 Ų | 169 | 110.2 Ų | 110.2 | 64% | 0.638 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.8 | -36.5 | 175.9 | -77.3 | 173 | 177.8 | -178.5 | 1.4 | 113 | S16 I18 R24 | S16-R20 WeakPolarHBondContact O-CB 3.2Å; S16-R20 WeakPolarHBondContact O-CD 3.32Å; S16-R20 WeakPolarHBondContact O-CG 3.43Å; S16-R20 PolarHBondContact O-N 3.17Å; S16-R20 VanDerWaalsContact O-N 3.16Å; I18-R20 VanDerWaalsContact C-N 3.27Å; I18-R20 PolarHBondContact O-N 3.41Å; R20-R24 WeakPolarHBondContact O-CB 3.35Å; R20-R24 WeakPolarHBondContact O-CG 3.49Å; R20-R24 PolarHBondContact O-N 3.49Å; R20-R24 VanDerWaalsContact O-N 3.1Å |
| 21 | L | 88.3 | Confident | 81.6 | Confident | 104 Ų | 104 | 108.1 Ų | 108.1 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72 | -39.2 | 176.9 | -86.1 | 167.3 | 0 | 0 | 0 | 111.5 | E17 I18 D19 R24 R25 | E17-L21 WeakPolarHBondContact O-CB 3.41Å; E17-L21 WeakPolarHBondContact O-CG 3.46Å; E17-L21 PolarHBondContact O-N 2.92Å; I18-L21 CarbonylContact O-C 3.58Å; I18-L21 WeakPolarHBondContact O-CA 3.49Å; I18-L21 WeakPolarHBondContact O-CB 3.2Å; I18-L21 PolarHBondContact O-N 2.81Å; D19-L21 PolarHBondContact O-N 3.28Å; L21-R24 PolarHBondContact O-N 2.86Å; L21-R25 WeakPolarHBondContact O-CB 3.4Å; L21-R25 PolarHBondContact O-N 3.39Å |
| 22 | E | 88.1 | Confident | 83.3 | Confident | 118 Ų | 118 | 107.6 Ų | 107.6 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.4 | -46.4 | 174.8 | -72.8 | -174.6 | 166.1 | 0 | 0 | 111 | I18 D19 R24 R25 E26 | I18-E22 HydrophobicContact CG2-CG 4.23Å; I18-E22 WeakPolarHBondContact O-CG 3.37Å; I18-E22 PolarHBondContact O-N 2.98Å; D19-E22 PolarHBondContact O-N 2.89Å; E22-R24 VanDerWaalsContact C-N 3.29Å; E22-R24 PolarHBondContact O-N 2.95Å; E22-R25 WeakPolarHBondContact O-CB 3.47Å; E22-R25 PolarHBondContact O-N 2.93Å; E22-R25 VanDerWaalsContact O-N 3.08Å; E22-E26 WeakPolarHBondContact O-CB 3.42Å; E22-E26 PolarHBondContact O-N 3.34Å |
| 23 | E | 89.4 | Confident | 84.8 | Confident | 104 Ų | 104 | 109.2 Ų | 109.2 | 49% | 0.486 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61 | -39.5 | 176.1 | -164.4 | -165.4 | 159.3 | 0 | 0 | 111.6 | D19 R27 | D19-E23 WeakPolarHBondContact O-CB 3.24Å; D19-E23 PolarHBondContact O-N 3.1Å; E23-R27 VanDerWaalsContact O-CB 3.24Å; E23-R27 WeakPolarHBondContact O-CB 3.25Å; E23-R27 PolarHBondContact O-N 3.26Å; E23-R27 IonicContact OE1-CZ 3.95Å; E23-R27 IonicContact OE1-NH2 2.76Å; E23-R27 PolarHBondContact OE1-NH2 3.34Å |
| 24 | R | 90.2 | Very high | 85.8 | Confident | 181 Ų | 181 | 113.4 Ų | 113.4 | 68% | 0.683 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.7 | -37.8 | 174.8 | -75.6 | 176.8 | 70.1 | -165.2 | 1.1 | 112.1 | R20 L21 E22 C28 | R20-R24 WeakPolarHBondContact O-CB 3.35Å; R20-R24 WeakPolarHBondContact O-CG 3.49Å; R20-R24 PolarHBondContact O-N 3.49Å; R20-R24 VanDerWaalsContact O-N 3.1Å; L21-R24 PolarHBondContact O-N 2.86Å; E22-R24 VanDerWaalsContact C-N 3.29Å; E22-R24 PolarHBondContact O-N 2.95Å; R24-C28 VanDerWaalsContact O-CB 3.25Å; R24-C28 WeakPolarHBondContact O-CB 3.34Å; R24-C28 PolarHBondContact O-N 3.08Å |
| 25 | R | 91.5 | Very high | 85.9 | Confident | 163 Ų | 163 | 110.8 Ų | 110.8 | 62% | 0.615 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.4 | -47.4 | 176.5 | -177.4 | -175.1 | -174.4 | -101.9 | 3 | 110.5 | L21 E22 C28 Q29 | L21-R25 WeakPolarHBondContact O-CB 3.4Å; L21-R25 PolarHBondContact O-N 3.39Å; E22-R25 WeakPolarHBondContact O-CB 3.47Å; E22-R25 PolarHBondContact O-N 2.93Å; E22-R25 VanDerWaalsContact O-N 3.08Å; R25-C28 CarbonylContact O-C 3.53Å; R25-C28 WeakPolarHBondContact O-CB 3.41Å; R25-C28 PolarHBondContact O-N 3.44Å; R25-C28 VanDerWaalsContact O-N 3.13Å; R25-Q29 PolarHBondContact O-N 2.82Å |
| 26 | E | 88.8 | Confident | 86.1 | Confident | 137 Ų | 137 | 112.7 Ų | 112.7 | 64% | 0.64 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.9 | -45.5 | 179 | -167 | 173.9 | -152.2 | 0 | 0 | 110.6 | E22 C28 Q29 D30 | E22-E26 WeakPolarHBondContact O-CB 3.42Å; E22-E26 PolarHBondContact O-N 3.34Å; E26-C28 VanDerWaalsContact C-N 3.29Å; E26-C28 PolarHBondContact O-N 2.81Å; E26-Q29 PolarHBondContact O-N 3.04Å; E26-Q29 VanDerWaalsContact O-N 3.16Å; E26-D30 PolarHBondContact O-N 3.46Å |
| 27 | R | 88.2 | Confident | 85.9 | Confident | 148 Ų | 148 | 117.1 Ų | 117.1 | 56% | 0.558 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.7 | -35.1 | 173.9 | -162.7 | -176.5 | -59.2 | -147.2 | 2.5 | 112.7 | E23 N31 | E23-R27 VanDerWaalsContact O-CB 3.24Å; E23-R27 WeakPolarHBondContact O-CB 3.25Å; E23-R27 PolarHBondContact O-N 3.26Å; E23-R27 IonicContact OE1-CZ 3.95Å; E23-R27 IonicContact OE1-NH2 2.76Å; E23-R27 PolarHBondContact OE1-NH2 3.34Å; R27-N31 WeakPolarHBondContact O-CB 3.39Å; R27-N31 PolarHBondContact O-N 3.04Å; R27-N31 PolarHBondContact O-ND2 3.13Å |
| 28 | C | 87.1 | Confident | 85.5 | Confident | 85 Ų | 85 | 117.4 Ų | 117.4 | 57% | 0.574 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -70.2 | -39.5 | 175.5 | -156 | 0 | 0 | 0 | 0 | 111.3 | R24 R25 E26 N31 L32 | R24-C28 VanDerWaalsContact O-CB 3.25Å; R24-C28 WeakPolarHBondContact O-CB 3.34Å; R24-C28 PolarHBondContact O-N 3.08Å; R25-C28 CarbonylContact O-C 3.53Å; R25-C28 WeakPolarHBondContact O-CB 3.41Å; R25-C28 PolarHBondContact O-N 3.44Å; R25-C28 VanDerWaalsContact O-N 3.13Å; E26-C28 VanDerWaalsContact C-N 3.29Å; E26-C28 PolarHBondContact O-N 2.81Å; C28-N31 PolarHBondContact O-N 2.83Å; C28-L32 WeakPolarHBondContact O-CB 3.37Å; C28-L32 PolarHBondContact O-N 3.16Å |
| 29 | Q | 89.1 | Confident | 84.6 | Confident | 97 Ų | 97 | 116.5 Ų | 116.5 | 45% | 0.453 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 174.2 | -78.2 | -174.5 | -67.3 | 0 | 0 | 111.8 | R25 E26 N31 L32 E33 | R25-Q29 PolarHBondContact O-N 2.82Å; E26-Q29 PolarHBondContact O-N 3.04Å; E26-Q29 VanDerWaalsContact O-N 3.16Å; Q29-N31 VanDerWaalsContact C-N 3.32Å; Q29-N31 PolarHBondContact O-N 2.87Å; Q29-L32 WeakPolarHBondContact O-CB 3.44Å; Q29-L32 PolarHBondContact O-N 2.89Å; Q29-L32 VanDerWaalsContact O-N 3.13Å; Q29-E33 WeakPolarHBondContact O-CB 3.39Å; Q29-E33 PolarHBondContact O-N 3.13Å |
| 30 | D | 90.9 | Very high | 83.8 | Confident | 92 Ų | 92 | 120 Ų | 120 | 49% | 0.492 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.5 | -43.7 | 175.7 | -177.2 | 57.2 | 0 | 0 | 0 | 110.9 | E26 L32 E33 R34 | E26-D30 PolarHBondContact O-N 3.46Å; D30-L32 VanDerWaalsContact C-N 3.34Å; D30-L32 PolarHBondContact O-N 3.38Å; D30-E33 PolarHBondContact O-N 2.9Å; D30-R34 WeakPolarHBondContact O-CB 3.19Å; D30-R34 PolarHBondContact O-N 2.82Å |
| 31 | N | 87.1 | Confident | 82.9 | Confident | 94 Ų | 94 | 116.9 Ų | 116.9 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 174.3 | -76.8 | -33.6 | 0 | 0 | 0 | 112.9 | R27 C28 Q29 A35 | R27-N31 WeakPolarHBondContact O-CB 3.39Å; R27-N31 PolarHBondContact O-N 3.04Å; R27-N31 PolarHBondContact O-ND2 3.13Å; C28-N31 PolarHBondContact O-N 2.83Å; Q29-N31 VanDerWaalsContact C-N 3.32Å; Q29-N31 PolarHBondContact O-N 2.87Å; N31-A35 VanDerWaalsContact O-CB 3.24Å; N31-A35 WeakPolarHBondContact O-CB 3.43Å; N31-A35 PolarHBondContact O-N 3.42Å |
| 32 | L | 86.8 | Confident | 81.7 | Confident | 102 Ų | 102 | 115.9 Ų | 115.9 | 53% | 0.534 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.8 | -48.2 | 176.2 | -174.9 | 76.7 | 0 | 0 | 0 | 110.7 | C28 Q29 D30 R34 A35 E36 | C28-L32 WeakPolarHBondContact O-CB 3.37Å; C28-L32 PolarHBondContact O-N 3.16Å; Q29-L32 WeakPolarHBondContact O-CB 3.44Å; Q29-L32 PolarHBondContact O-N 2.89Å; Q29-L32 VanDerWaalsContact O-N 3.13Å; D30-L32 VanDerWaalsContact C-N 3.34Å; D30-L32 PolarHBondContact O-N 3.38Å; L32-R34 VanDerWaalsContact C-N 3.3Å; L32-R34 PolarHBondContact O-N 3.48Å; L32-A35 CarbonylContact O-C 3.55Å; L32-A35 WeakPolarHBondContact O-CB 3.49Å; L32-A35 PolarHBondContact O-N 3.05Å; L32-A35 VanDerWaalsContact O-N 3.12Å; L32-E36 WeakPolarHBondContact O-CB 3.24Å; L32-E36 WeakPolarHBondContact O-CG 3.32Å; L32-E36 PolarHBondContact O-N 2.75Å |
| 33 | E | 86.9 | Confident | 80.5 | Confident | 135 Ų | 135 | 120.3 Ų | 120.3 | 63% | 0.631 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.4 | -41.2 | 178.3 | -174.6 | 171.5 | -166.8 | 0 | 0 | 111 | Q29 D30 A35 E36 F37 | Q29-E33 WeakPolarHBondContact O-CB 3.39Å; Q29-E33 PolarHBondContact O-N 3.13Å; D30-E33 PolarHBondContact O-N 2.9Å; E33-A35 VanDerWaalsContact C-N 3.35Å; E33-A35 PolarHBondContact O-N 3.4Å; E33-E36 PolarHBondContact O-N 2.8Å; E33-F37 WeakPolarHBondContact O-CB 3.47Å; E33-F37 PolarHBondContact O-N 3.31Å |
| 34 | R | 84.9 | Confident | 79.3 | Confident | 151 Ų | 151 | 118.3 Ų | 118.3 | 57% | 0.57 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.1 | -35.8 | 175.5 | -153.2 | 171.7 | -165.3 | -113.5 | 0.4 | 112.1 | D30 L32 K38 | D30-R34 WeakPolarHBondContact O-CB 3.19Å; D30-R34 PolarHBondContact O-N 2.82Å; L32-R34 VanDerWaalsContact C-N 3.3Å; L32-R34 PolarHBondContact O-N 3.48Å; R34-K38 WeakPolarHBondContact O-CB 3.26Å; R34-K38 VanDerWaalsContact O-CG 3.26Å; R34-K38 WeakPolarHBondContact O-CG 3.15Å; R34-K38 PolarHBondContact O-N 3.12Å |
| 35 | A | 75.3 | Confident | 78.3 | Confident | 53 Ų | 53 | 112.4 Ų | 112.4 | 44% | 0.438 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.4 | -38.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N31 L32 E33 K38 S39 | N31-A35 VanDerWaalsContact O-CB 3.24Å; N31-A35 WeakPolarHBondContact O-CB 3.43Å; N31-A35 PolarHBondContact O-N 3.42Å; L32-A35 CarbonylContact O-C 3.55Å; L32-A35 WeakPolarHBondContact O-CB 3.49Å; L32-A35 PolarHBondContact O-N 3.05Å; L32-A35 VanDerWaalsContact O-N 3.12Å; E33-A35 VanDerWaalsContact C-N 3.35Å; E33-A35 PolarHBondContact O-N 3.4Å; A35-K38 PolarHBondContact O-N 3.32Å; A35-S39 WeakPolarHBondContact O-CB 3.43Å; A35-S39 PolarHBondContact O-N 2.75Å |
| 36 | E | 79.4 | Confident | 77.5 | Confident | 92 Ų | 92 | 110.3 Ų | 110.3 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 174.1 | -77.9 | -170.3 | -169.7 | 0 | 0 | 111.5 | L32 E33 K38 S39 R40 | L32-E36 WeakPolarHBondContact O-CB 3.24Å; L32-E36 WeakPolarHBondContact O-CG 3.32Å; L32-E36 PolarHBondContact O-N 2.75Å; E33-E36 PolarHBondContact O-N 2.8Å; E36-K38 PolarHBondContact O-N 2.9Å; E36-S39 PolarHBondContact O-N 3.29Å; E36-R40 WeakPolarHBondContact O-CB 3.26Å; E36-R40 VanDerWaalsContact O-CG 3.26Å; E36-R40 WeakPolarHBondContact O-CG 3.38Å; E36-R40 PolarHBondContact O-N 3.44Å |
| 37 | F | 74.1 | Confident | 76.7 | Confident | 137 Ų | 137 | 111 Ų | 111 | 60% | 0.601 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.5 | -45 | 175.1 | -176.1 | -97 | 0 | 0 | 0 | 111.1 | E33 R40 K41 | E33-F37 WeakPolarHBondContact O-CB 3.47Å; E33-F37 PolarHBondContact O-N 3.31Å; F37-R40 PolarHBondContact O-N 2.75Å; F37-K41 VanDerWaalsContact O-CB 3.25Å; F37-K41 WeakPolarHBondContact O-CB 3.13Å; F37-K41 PolarHBondContact O-N 3.5Å |
| 38 | K | 73.4 | Confident | 75.9 | Confident | 121 Ų | 121 | 108.3 Ų | 108.3 | 53% | 0.526 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 173.4 | -76.7 | 176.9 | -179.2 | -176.5 | 0 | 112.3 | R34 A35 E36 K41 A42 | R34-K38 WeakPolarHBondContact O-CB 3.26Å; R34-K38 VanDerWaalsContact O-CG 3.26Å; R34-K38 WeakPolarHBondContact O-CG 3.15Å; R34-K38 PolarHBondContact O-N 3.12Å; A35-K38 PolarHBondContact O-N 3.32Å; E36-K38 PolarHBondContact O-N 2.9Å; K38-K41 CarbonylContact O-C 3.58Å; K38-K41 PolarHBondContact O-N 3.48Å; K38-A42 WeakPolarHBondContact O-CB 3.25Å; K38-A42 PolarHBondContact O-N 3.22Å |
| 39 | S | 65.3 | Low | 75.6 | Confident | 63 Ų | 63 | 107.9 Ų | 107.9 | 44% | 0.441 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 177.7 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | A35 E36 K41 A42 R43 | A35-S39 WeakPolarHBondContact O-CB 3.43Å; A35-S39 PolarHBondContact O-N 2.75Å; E36-S39 PolarHBondContact O-N 3.29Å; S39-K41 VanDerWaalsContact C-N 3.34Å; S39-K41 PolarHBondContact O-N 2.76Å; S39-A42 PolarHBondContact O-N 3.42Å; S39-R43 VanDerWaalsContact O-CB 3.25Å; S39-R43 WeakPolarHBondContact O-CB 3.45Å; S39-R43 WeakPolarHBondContact O-CG 3.47Å; S39-R43 PolarHBondContact O-N 3.49Å |
| 40 | R | 68.8 | Low | 75.1 | Confident | 175 Ų | 175 | 107.7 Ų | 107.7 | 66% | 0.66 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -42.8 | 171.7 | -71.6 | 176.8 | -169.7 | -133.7 | 6.8 | 111.1 | E36 F37 L44 | E36-R40 WeakPolarHBondContact O-CB 3.26Å; E36-R40 VanDerWaalsContact O-CG 3.26Å; E36-R40 WeakPolarHBondContact O-CG 3.38Å; E36-R40 PolarHBondContact O-N 3.44Å; F37-R40 PolarHBondContact O-N 2.75Å; R40-L44 WeakPolarHBondContact O-CG 3.25Å; R40-L44 PolarHBondContact O-N 2.76Å |
| 41 | K | 66.6 | Low | 74.6 | Confident | 102 Ų | 102 | 109.1 Ų | 109.1 | 44% | 0.443 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.3 | -32.5 | 176.5 | -168.9 | 176.8 | -177.8 | 176.8 | 0 | 113.5 | F37 K38 S39 | F37-K41 VanDerWaalsContact O-CB 3.25Å; F37-K41 WeakPolarHBondContact O-CB 3.13Å; F37-K41 PolarHBondContact O-N 3.5Å; K38-K41 CarbonylContact O-C 3.58Å; K38-K41 PolarHBondContact O-N 3.48Å; S39-K41 VanDerWaalsContact C-N 3.34Å; S39-K41 PolarHBondContact O-N 2.76Å |
| 42 | A | 64.7 | Low | 74.4 | Confident | 83 Ų | 83 | 108.1 Ų | 108.1 | 69% | 0.686 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -88 | -23.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K38 S39 L44 | K38-A42 WeakPolarHBondContact O-CB 3.25Å; K38-A42 PolarHBondContact O-N 3.22Å; S39-A42 PolarHBondContact O-N 3.42Å; A42-L44 VanDerWaalsContact C-N 3.29Å |
| 43 | R | 62.3 | Low | 74.3 | Confident | 212 Ų | 212 | 109.1 Ų | 109.1 | 80% | 0.8 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -72.1 | -24.4 | 170.8 | -90.8 | 179.7 | 66.1 | -174.9 | 0.2 | 112.6 | S39 S45 | S39-R43 VanDerWaalsContact O-CB 3.25Å; S39-R43 WeakPolarHBondContact O-CB 3.45Å; S39-R43 WeakPolarHBondContact O-CG 3.47Å; S39-R43 PolarHBondContact O-N 3.49Å; R43-S45 PolarHBondContact O-N 3.26Å |
| 44 | L | 63.6 | Low | 74.2 | Confident | 61 Ų | 61 | 109.2 Ų | 109.2 | 32% | 0.319 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -73 | 120.3 | 171.5 | -70.2 | 161.6 | 0 | 0 | 0 | 108.5 | R40 A42 E48 R49 L52 | R40-L44 WeakPolarHBondContact O-CG 3.25Å; R40-L44 PolarHBondContact O-N 2.76Å; A42-L44 VanDerWaalsContact C-N 3.29Å; L44-E48 WeakPolarHBondContact CA-OE2 3.47Å; L44-E48 HydrophobicContact CB-CB 4.35Å; L44-E48 HydrophobicContact CD2-CB 3.74Å; L44-R49 HydrophobicContact CB-CG 3.51Å; L44-R49 HydrophobicContact CD1-CG 4.28Å; L44-R49 HydrophobicContact CG-CG 4.49Å; L44-L52 HydrophobicContact CD1-CD2 4.43Å |
| 45 | S | 69.9 | Low | 74.3 | Confident | 58 Ų | 58 | 107 Ų | 107 | 41% | 0.406 | 51% | 0.513 | S | S | . | . | trans | -56.9 | 152.4 | 166.1 | 176.9 | 0 | 0 | 0 | 0 | 109.7 | R43 Q47 E48 R49 | R43-S45 PolarHBondContact O-N 3.26Å; S45-Q47 PolarHBondContact O-N 3.12Å; S45-E48 PolarHBondContact N-OE2 3.43Å; S45-E48 PolarHBondContact O-N 3.44Å; S45-R49 PolarHBondContact O-N 2.94Å | ||
| 46 | E | 73.7 | Confident | 75 | Confident | 118 Ų | 118 | 110.1 Ų | 110.1 | 55% | 0.551 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -53.6 | -31.2 | 175.9 | -170.1 | 62.1 | -161 | 0 | 0 | 111.7 | Q50 | E46-Q50 WeakPolarHBondContact O-CG 3.47Å; E46-Q50 PolarHBondContact O-N 3.42Å; E46-Q50 VanDerWaalsContact O-N 3.12Å |
| 47 | Q | 72.6 | Confident | 75.5 | Confident | 151 Ų | 151 | 108.5 Ų | 108.5 | 71% | 0.706 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.4 | -46.6 | 173 | -71.7 | 177.4 | -27.3 | 0 | 0 | 112.9 | S45 R49 Q50 E51 | S45-Q47 PolarHBondContact O-N 3.12Å; Q47-R49 VanDerWaalsContact C-N 3.29Å; Q47-R49 PolarHBondContact O-N 2.86Å; Q47-Q50 PolarHBondContact O-N 2.9Å; Q47-E51 WeakPolarHBondContact O-CB 3.48Å; Q47-E51 PolarHBondContact O-N 2.91Å |
| 48 | E | 72.4 | Confident | 76.4 | Confident | 93 Ų | 93 | 106 Ų | 106 | 44% | 0.435 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.3 | -32.1 | 178.9 | -64.6 | 174.1 | 135.2 | 0 | 0 | 111.4 | L44 S45 L52 | L44-E48 WeakPolarHBondContact CA-OE2 3.47Å; L44-E48 HydrophobicContact CB-CB 4.35Å; L44-E48 HydrophobicContact CD2-CB 3.74Å; S45-E48 PolarHBondContact N-OE2 3.43Å; S45-E48 PolarHBondContact O-N 3.44Å; E48-L52 VanDerWaalsContact O-CB 3.26Å; E48-L52 WeakPolarHBondContact O-CB 3.18Å; E48-L52 PolarHBondContact O-N 2.87Å |
| 49 | R | 79.7 | Confident | 77.3 | Confident | 76 Ų | 76 | 105 Ų | 105 | 29% | 0.287 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 172.7 | -68.1 | -172.1 | 63.3 | -160.8 | -13.8 | 111.9 | L44 S45 Q47 E51 L52 E53 | L44-R49 HydrophobicContact CB-CG 3.51Å; L44-R49 HydrophobicContact CD1-CG 4.28Å; L44-R49 HydrophobicContact CG-CG 4.49Å; S45-R49 PolarHBondContact O-N 2.94Å; Q47-R49 VanDerWaalsContact C-N 3.29Å; Q47-R49 PolarHBondContact O-N 2.86Å; R49-E51 VanDerWaalsContact C-N 3.35Å; R49-L52 PolarHBondContact O-N 2.94Å; R49-E53 WeakPolarHBondContact O-CB 3.32Å; R49-E53 WeakPolarHBondContact O-CG 3.39Å; R49-E53 PolarHBondContact O-N 3.06Å |
| 50 | Q | 78.4 | Confident | 78.7 | Confident | 92 Ų | 92 | 106.4 Ų | 106.4 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.6 | -37 | 176.8 | -74.5 | 178.3 | 14.8 | 0 | 0 | 112.2 | E46 Q47 K54 | E46-Q50 WeakPolarHBondContact O-CG 3.47Å; E46-Q50 PolarHBondContact O-N 3.42Å; E46-Q50 VanDerWaalsContact O-N 3.12Å; Q47-Q50 PolarHBondContact O-N 2.9Å; Q50-K54 WeakPolarHBondContact O-CB 3.37Å; Q50-K54 VanDerWaalsContact O-CG 3.25Å; Q50-K54 WeakPolarHBondContact O-CG 3.25Å; Q50-K54 PolarHBondContact O-N 2.93Å |
| 51 | E | 81 | Confident | 79.8 | Confident | 123 Ų | 123 | 104.7 Ų | 104.7 | 58% | 0.575 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.1 | -44.9 | 175.2 | -168.6 | 164.1 | -155.2 | 0 | 0 | 111.1 | Q47 R49 E53 K54 E55 | Q47-E51 WeakPolarHBondContact O-CB 3.48Å; Q47-E51 PolarHBondContact O-N 2.91Å; R49-E51 VanDerWaalsContact C-N 3.35Å; E51-E53 PolarHBondContact O-N 3.45Å; E51-K54 WeakPolarHBondContact O-CB 3.33Å; E51-K54 PolarHBondContact O-N 3.42Å; E51-E55 WeakPolarHBondContact O-CG 3.46Å; E51-E55 PolarHBondContact O-N 2.91Å |
| 52 | L | 81.9 | Confident | 81.2 | Confident | 72 Ų | 72 | 108 Ų | 108 | 38% | 0.377 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 175.2 | -168.5 | 73.2 | 0 | 0 | 0 | 112.3 | L44 E48 R49 K54 E55 M56 | L44-L52 HydrophobicContact CD1-CD2 4.43Å; E48-L52 VanDerWaalsContact O-CB 3.26Å; E48-L52 WeakPolarHBondContact O-CB 3.18Å; E48-L52 PolarHBondContact O-N 2.87Å; R49-L52 PolarHBondContact O-N 2.94Å; L52-K54 VanDerWaalsContact C-N 3.34Å; L52-E55 PolarHBondContact O-N 3.49Å; L52-M56 HydrophobicContact CD2-CE 4.18Å; L52-M56 HydrophobicContact CG-CE 4.18Å; L52-M56 WeakPolarHBondContact O-CB 3.38Å; L52-M56 VanDerWaalsContact O-CG 3.32Å; L52-M56 WeakPolarHBondContact O-CG 3.26Å; L52-M56 PolarHBondContact O-N 2.84Å |
| 53 | E | 84.4 | Confident | 82.6 | Confident | 123 Ų | 123 | 107.3 Ų | 107.3 | 58% | 0.575 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.5 | -39.4 | 174.5 | -82.3 | 179.5 | -175 | 0 | 0 | 111.9 | R49 E51 M56 A57 | R49-E53 WeakPolarHBondContact O-CB 3.32Å; R49-E53 WeakPolarHBondContact O-CG 3.39Å; R49-E53 PolarHBondContact O-N 3.06Å; E51-E53 PolarHBondContact O-N 3.45Å; E53-M56 PolarHBondContact O-N 3.36Å; E53-A57 WeakPolarHBondContact O-CB 3.26Å; E53-A57 PolarHBondContact O-N 2.99Å |
| 54 | K | 86.3 | Confident | 84.1 | Confident | 137 Ų | 137 | 102 Ų | 102 | 60% | 0.596 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.7 | -45.2 | 173.6 | -74.8 | 170.9 | -175 | 173.4 | 0 | 111.5 | Q50 E51 L52 A57 I58 | Q50-K54 WeakPolarHBondContact O-CB 3.37Å; Q50-K54 VanDerWaalsContact O-CG 3.25Å; Q50-K54 WeakPolarHBondContact O-CG 3.25Å; Q50-K54 PolarHBondContact O-N 2.93Å; E51-K54 WeakPolarHBondContact O-CB 3.33Å; E51-K54 PolarHBondContact O-N 3.42Å; L52-K54 VanDerWaalsContact C-N 3.34Å; K54-A57 PolarHBondContact O-N 3.2Å; K54-I58 VanDerWaalsContact O-CG1 3.26Å; K54-I58 WeakPolarHBondContact O-CG1 3.49Å; K54-I58 PolarHBondContact O-N 3.25Å |
| 55 | E | 87.4 | Confident | 85.5 | Confident | 106 Ų | 106 | 105.4 Ų | 105.4 | 50% | 0.495 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 176 | -75.4 | -168.1 | 155.9 | 0 | 0 | 111.6 | E51 L52 A57 I58 I59 | E51-E55 WeakPolarHBondContact O-CG 3.46Å; E51-E55 PolarHBondContact O-N 2.91Å; L52-E55 PolarHBondContact O-N 3.49Å; E55-A57 VanDerWaalsContact C-N 3.31Å; E55-A57 PolarHBondContact O-N 3.46Å; E55-I58 PolarHBondContact O-N 3.31Å; E55-I59 WeakPolarHBondContact O-CB 3.38Å; E55-I59 VanDerWaalsContact O-CG1 3.28Å; E55-I59 WeakPolarHBondContact O-CG1 3.38Å; E55-I59 PolarHBondContact O-N 3.27Å |
| 56 | M | 88.4 | Confident | 86.7 | Confident | 118 Ų | 118 | 107.4 Ų | 107.4 | 58% | 0.581 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.7 | -42.1 | 174.8 | -76.6 | -170.2 | -179.8 | 0 | 0 | 111.6 | L52 E53 I59 N60 | L52-M56 HydrophobicContact CD2-CE 4.18Å; L52-M56 HydrophobicContact CG-CE 4.18Å; L52-M56 WeakPolarHBondContact O-CB 3.38Å; L52-M56 VanDerWaalsContact O-CG 3.32Å; L52-M56 WeakPolarHBondContact O-CG 3.26Å; L52-M56 PolarHBondContact O-N 2.84Å; E53-M56 PolarHBondContact O-N 3.36Å; M56-I59 PolarHBondContact O-N 2.85Å; M56-N60 WeakPolarHBondContact O-CB 3.48Å; M56-N60 PolarHBondContact O-N 2.94Å |
| 57 | A | 90.3 | Very high | 87.5 | Confident | 58 Ų | 58 | 106.3 Ų | 106.3 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E53 K54 E55 N60 E61 | E53-A57 WeakPolarHBondContact O-CB 3.26Å; E53-A57 PolarHBondContact O-N 2.99Å; K54-A57 PolarHBondContact O-N 3.2Å; E55-A57 VanDerWaalsContact C-N 3.31Å; E55-A57 PolarHBondContact O-N 3.46Å; A57-N60 PolarHBondContact O-N 2.95Å; A57-E61 WeakPolarHBondContact O-CB 3.49Å; A57-E61 PolarHBondContact O-N 2.92Å |
| 58 | I | 92.8 | Very high | 88.4 | Confident | 83 Ų | 83 | 106.3 Ų | 106.3 | 43% | 0.426 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 177.8 | -67.2 | 162.9 | 0 | 0 | 0 | 111 | K54 E55 N60 E61 R62 | K54-I58 VanDerWaalsContact O-CG1 3.26Å; K54-I58 WeakPolarHBondContact O-CG1 3.49Å; K54-I58 PolarHBondContact O-N 3.25Å; E55-I58 PolarHBondContact O-N 3.31Å; I58-N60 VanDerWaalsContact C-N 3.35Å; I58-E61 PolarHBondContact O-N 3.3Å; I58-R62 WeakPolarHBondContact O-CG 3.45Å; I58-R62 PolarHBondContact O-N 2.94Å; I58-R62 VanDerWaalsContact O-N 3.08Å |
| 59 | I | 93.9 | Very high | 89.2 | Confident | 102 Ų | 102 | 106.4 Ų | 106.4 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 178.6 | -68.6 | 168.5 | 0 | 0 | 0 | 109.9 | E55 M56 E61 R62 V63 | E55-I59 WeakPolarHBondContact O-CB 3.38Å; E55-I59 VanDerWaalsContact O-CG1 3.28Å; E55-I59 WeakPolarHBondContact O-CG1 3.38Å; E55-I59 PolarHBondContact O-N 3.27Å; M56-I59 PolarHBondContact O-N 2.85Å; I59-E61 PolarHBondContact O-N 2.97Å; I59-R62 WeakPolarHBondContact O-CB 3.39Å; I59-R62 PolarHBondContact O-N 3.14Å; I59-V63 HydrophobicContact CG2-CG2 4.45Å; I59-V63 WeakPolarHBondContact O-CG2 3.47Å; I59-V63 PolarHBondContact O-N 3.46Å |
| 60 | N | 92.6 | Very high | 89.7 | Confident | 91 Ų | 91 | 106.6 Ų | 106.6 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 180 | -164.6 | 25.1 | 0 | 0 | 0 | 111.8 | M56 A57 I58 R62 V63 Q64 | M56-N60 WeakPolarHBondContact O-CB 3.48Å; M56-N60 PolarHBondContact O-N 2.94Å; A57-N60 PolarHBondContact O-N 2.95Å; I58-N60 VanDerWaalsContact C-N 3.35Å; N60-R62 VanDerWaalsContact C-N 3.34Å; N60-R62 PolarHBondContact O-N 3.36Å; N60-V63 PolarHBondContact O-N 3.35Å; N60-Q64 WeakPolarHBondContact O-CG 3.28Å; N60-Q64 PolarHBondContact O-N 3.21Å |
| 61 | E | 93.5 | Very high | 90.2 | Very high | 139 Ų | 139 | 105.2 Ų | 105.2 | 65% | 0.65 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.4 | -42.3 | 174.5 | -170.3 | -176.1 | 175.6 | 0 | 0 | 111.7 | A57 I58 I59 Q64 K65 | A57-E61 WeakPolarHBondContact O-CB 3.49Å; A57-E61 PolarHBondContact O-N 2.92Å; I58-E61 PolarHBondContact O-N 3.3Å; I59-E61 PolarHBondContact O-N 2.97Å; E61-Q64 PolarHBondContact O-N 3.46Å; E61-K65 PolarHBondContact O-N 3.45Å |
| 62 | R | 94.5 | Very high | 90.5 | Very high | 172 Ų | 172 | 105.1 Ų | 105.1 | 65% | 0.649 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.4 | -43.9 | 175.7 | -73.3 | 176.6 | -179.3 | -175.3 | 1.7 | 112 | I58 I59 N60 K65 L66 | I58-R62 WeakPolarHBondContact O-CG 3.45Å; I58-R62 PolarHBondContact O-N 2.94Å; I58-R62 VanDerWaalsContact O-N 3.08Å; I59-R62 WeakPolarHBondContact O-CB 3.39Å; I59-R62 PolarHBondContact O-N 3.14Å; N60-R62 VanDerWaalsContact C-N 3.34Å; N60-R62 PolarHBondContact O-N 3.36Å; R62-K65 PolarHBondContact O-N 2.87Å; R62-L66 WeakPolarHBondContact O-CG 3.34Å; R62-L66 PolarHBondContact O-N 2.97Å |
| 63 | V | 94.8 | Very high | 90.6 | Very high | 68 Ų | 68 | 106.6 Ų | 106.6 | 41% | 0.412 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60 | -47.9 | 176.4 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | I59 N60 K65 L66 D67 | I59-V63 HydrophobicContact CG2-CG2 4.45Å; I59-V63 WeakPolarHBondContact O-CG2 3.47Å; I59-V63 PolarHBondContact O-N 3.46Å; N60-V63 PolarHBondContact O-N 3.35Å; V63-K65 VanDerWaalsContact C-N 3.29Å; V63-K65 PolarHBondContact O-N 3.25Å; V63-L66 PolarHBondContact O-N 3.49Å; V63-D67 PolarHBondContact O-N 2.94Å |
| 64 | Q | 93.9 | Very high | 90.9 | Very high | 101 Ų | 101 | 109.3 Ų | 109.3 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61 | -36.3 | 177.8 | -72.5 | -176.7 | 0.3 | 0 | 0 | 113.1 | N60 E61 K68 | N60-Q64 WeakPolarHBondContact O-CG 3.28Å; N60-Q64 PolarHBondContact O-N 3.21Å; E61-Q64 PolarHBondContact O-N 3.46Å; Q64-K68 WeakPolarHBondContact O-CG 3.47Å; Q64-K68 PolarHBondContact O-N 3.08Å; Q64-K68 VanDerWaalsContact O-N 3.14Å |
| 65 | K | 93.4 | Very high | 90.8 | Very high | 133 Ų | 133 | 104.4 Ų | 104.4 | 58% | 0.578 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.6 | -46.2 | 175.7 | -172.8 | 179.8 | 176.1 | -173.9 | 0 | 111.3 | E61 R62 V63 D67 K68 E69 | E61-K65 PolarHBondContact O-N 3.45Å; R62-K65 PolarHBondContact O-N 2.87Å; V63-K65 VanDerWaalsContact C-N 3.29Å; V63-K65 PolarHBondContact O-N 3.25Å; K65-D67 VanDerWaalsContact C-N 3.33Å; K65-D67 PolarHBondContact O-N 3.47Å; K65-K68 PolarHBondContact O-N 2.89Å; K65-E69 VanDerWaalsContact CE-OE1 3.25Å; K65-E69 WeakPolarHBondContact CE-OE1 3.39Å; K65-E69 PolarHBondContact O-N 3.31Å |
| 66 | L | 93.7 | Very high | 90.7 | Very high | 100 Ų | 100 | 103.3 Ų | 103.3 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -40.3 | 177.3 | -70.5 | 170.8 | 0 | 0 | 0 | 111.9 | R62 V63 K68 E69 L70 | R62-L66 WeakPolarHBondContact O-CG 3.34Å; R62-L66 PolarHBondContact O-N 2.97Å; V63-L66 PolarHBondContact O-N 3.49Å; L66-K68 VanDerWaalsContact C-N 3.33Å; L66-K68 PolarHBondContact O-N 3.46Å; L66-E69 PolarHBondContact O-N 3.03Å; L66-L70 WeakPolarHBondContact O-CB 3.38Å; L66-L70 PolarHBondContact O-N 3.31Å |
| 67 | D | 91.1 | Very high | 90.6 | Very high | 94 Ų | 94 | 103.1 Ų | 103.1 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 176 | -79.3 | -24.4 | 0 | 0 | 0 | 112.2 | V63 K65 L70 A71 | V63-D67 PolarHBondContact O-N 2.94Å; K65-D67 VanDerWaalsContact C-N 3.33Å; K65-D67 PolarHBondContact O-N 3.47Å; D67-L70 PolarHBondContact O-N 3.31Å; D67-A71 WeakPolarHBondContact O-CB 3.25Å; D67-A71 PolarHBondContact O-N 3.45Å |
| 68 | K | 91.6 | Very high | 90.3 | Very high | 152 Ų | 152 | 109.6 Ų | 109.6 | 66% | 0.661 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.8 | -44.7 | 174.9 | -74.7 | 173.7 | -177.8 | 173.4 | 0 | 112 | Q64 K65 L66 A71 M72 | Q64-K68 WeakPolarHBondContact O-CG 3.47Å; Q64-K68 PolarHBondContact O-N 3.08Å; Q64-K68 VanDerWaalsContact O-N 3.14Å; K65-K68 PolarHBondContact O-N 2.89Å; L66-K68 VanDerWaalsContact C-N 3.33Å; L66-K68 PolarHBondContact O-N 3.46Å; K68-A71 PolarHBondContact O-N 3.23Å; K68-M72 WeakPolarHBondContact O-CB 3.4Å; K68-M72 PolarHBondContact O-N 3.18Å |
| 69 | E | 90.5 | Very high | 89.9 | Confident | 95 Ų | 95 | 114.3 Ų | 114.3 | 44% | 0.444 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 176.5 | -72.5 | 175.9 | -168.9 | 0 | 0 | 111 | K65 L66 A71 M72 L73 | K65-E69 VanDerWaalsContact CE-OE1 3.25Å; K65-E69 WeakPolarHBondContact CE-OE1 3.39Å; K65-E69 PolarHBondContact O-N 3.31Å; L66-E69 PolarHBondContact O-N 3.03Å; E69-A71 PolarHBondContact O-N 3.46Å; E69-M72 PolarHBondContact O-N 3.02Å; E69-L73 WeakPolarHBondContact O-CB 3.31Å; E69-L73 WeakPolarHBondContact O-CG 3.48Å; E69-L73 PolarHBondContact O-N 3.04Å |
| 70 | L | 89.1 | Confident | 89.6 | Confident | 80 Ų | 80 | 114.4 Ų | 114.4 | 42% | 0.419 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 174.1 | -84.5 | 169.4 | 0 | 0 | 0 | 112.8 | L66 D67 R74 | L66-L70 WeakPolarHBondContact O-CB 3.38Å; L66-L70 PolarHBondContact O-N 3.31Å; D67-L70 PolarHBondContact O-N 3.31Å; L70-R74 WeakPolarHBondContact O-CB 3.34Å; L70-R74 WeakPolarHBondContact O-CG 3.38Å; L70-R74 PolarHBondContact O-N 3.46Å |
| 71 | A | 88.8 | Confident | 89.5 | Confident | 62 Ų | 62 | 116.1 Ų | 116.1 | 51% | 0.512 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.1 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D67 K68 E69 R74 G75 | D67-A71 WeakPolarHBondContact O-CB 3.25Å; D67-A71 PolarHBondContact O-N 3.45Å; K68-A71 PolarHBondContact O-N 3.23Å; E69-A71 PolarHBondContact O-N 3.46Å; A71-R74 PolarHBondContact O-N 2.91Å; A71-G75 PolarHBondContact O-N 2.87Å |
| 72 | M | 88.4 | Confident | 89.3 | Confident | 121 Ų | 121 | 113.9 Ų | 113.9 | 60% | 0.596 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.3 | -50.6 | 175.9 | -176.5 | 173.9 | 173.6 | 0 | 0 | 111.3 | K68 E69 R74 G75 E76 | K68-M72 WeakPolarHBondContact O-CB 3.4Å; K68-M72 PolarHBondContact O-N 3.18Å; E69-M72 PolarHBondContact O-N 3.02Å; M72-R74 VanDerWaalsContact C-N 3.34Å; M72-R74 PolarHBondContact O-N 3.06Å; M72-G75 WeakPolarHBondContact O-CA 3.41Å; M72-G75 PolarHBondContact O-N 3.1Å; M72-E76 WeakPolarHBondContact CE-OE1 3.46Å; M72-E76 PolarHBondContact O-N 3.07Å |
| 73 | L | 84.3 | Confident | 89.2 | Confident | 104 Ų | 104 | 110.7 Ų | 110.7 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.4 | -39.2 | 178.7 | -71.9 | 172.3 | 0 | 0 | 0 | 112.4 | E69 G75 E76 N77 | E69-L73 WeakPolarHBondContact O-CB 3.31Å; E69-L73 WeakPolarHBondContact O-CG 3.48Å; E69-L73 PolarHBondContact O-N 3.04Å; L73-G75 VanDerWaalsContact C-N 3.33Å; L73-E76 PolarHBondContact O-N 3.38Å; L73-N77 WeakPolarHBondContact O-CB 3.41Å; L73-N77 PolarHBondContact O-N 3.37Å |
| 74 | R | 88.9 | Confident | 89 | Confident | 180 Ų | 180 | 111.1 Ų | 111.1 | 68% | 0.679 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.8 | -37.9 | 173.1 | -78.4 | -179.9 | 172.8 | 141.1 | -1.2 | 112.1 | L70 A71 M72 R78 | L70-R74 WeakPolarHBondContact O-CB 3.34Å; L70-R74 WeakPolarHBondContact O-CG 3.38Å; L70-R74 PolarHBondContact O-N 3.46Å; A71-R74 PolarHBondContact O-N 2.91Å; M72-R74 VanDerWaalsContact C-N 3.34Å; M72-R74 PolarHBondContact O-N 3.06Å; R74-R78 WeakPolarHBondContact O-CB 3.46Å; R74-R78 PolarHBondContact O-N 2.86Å |
| 75 | G | 84.8 | Confident | 89 | Confident | 33 Ų | 33 | 110 Ų | 110 | 34% | 0.34 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A71 M72 L73 R78 R79 | A71-G75 PolarHBondContact O-N 2.87Å; M72-G75 WeakPolarHBondContact O-CA 3.41Å; M72-G75 PolarHBondContact O-N 3.1Å; L73-G75 VanDerWaalsContact C-N 3.33Å; G75-R78 PolarHBondContact O-N 3.39Å; G75-R79 WeakPolarHBondContact O-CG 3.33Å; G75-R79 PolarHBondContact O-N 2.93Å; G75-R79 VanDerWaalsContact O-N 3.1Å |
| 76 | E | 85.5 | Confident | 89.1 | Confident | 83 Ų | 83 | 105.9 Ų | 105.9 | 39% | 0.388 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 176.7 | -70.8 | -177.9 | 167.8 | 0 | 0 | 112.3 | M72 L73 R78 R79 N80 | M72-E76 WeakPolarHBondContact CE-OE1 3.46Å; M72-E76 PolarHBondContact O-N 3.07Å; L73-E76 PolarHBondContact O-N 3.38Å; E76-R78 VanDerWaalsContact C-N 3.3Å; E76-R78 PolarHBondContact O-N 2.94Å; E76-R79 WeakPolarHBondContact O-CB 3.4Å; E76-R79 PolarHBondContact O-N 3.42Å; E76-R79 VanDerWaalsContact O-N 3.07Å; E76-N80 PolarHBondContact O-N 3.37Å |
| 77 | N | 85.7 | Confident | 89.1 | Confident | 114 Ų | 114 | 106.6 Ų | 106.6 | 61% | 0.61 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.1 | -40.5 | 177.4 | -163.8 | -3.1 | 0 | 0 | 0 | 111.4 | L73 R79 N80 M81 | L73-N77 WeakPolarHBondContact O-CB 3.41Å; L73-N77 PolarHBondContact O-N 3.37Å; N77-R79 PolarHBondContact O-N 2.9Å; N77-N80 PolarHBondContact O-N 3.04Å; N77-M81 WeakPolarHBondContact O-CB 3.38Å; N77-M81 PolarHBondContact O-N 3.4Å |
| 78 | R | 84.5 | Confident | 89.3 | Confident | 194 Ų | 194 | 108.1 Ų | 108.1 | 73% | 0.732 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.3 | -41.6 | 173.3 | -171.4 | 178.3 | -179 | -174.6 | 0.7 | 111.9 | R74 G75 E76 V82 | R74-R78 WeakPolarHBondContact O-CB 3.46Å; R74-R78 PolarHBondContact O-N 2.86Å; G75-R78 PolarHBondContact O-N 3.39Å; E76-R78 VanDerWaalsContact C-N 3.3Å; E76-R78 PolarHBondContact O-N 2.94Å; R78-V82 VanDerWaalsContact O-CG2 3.31Å; R78-V82 WeakPolarHBondContact O-CG2 3.36Å; R78-V82 PolarHBondContact O-N 2.91Å |
| 79 | R | 85.4 | Confident | 89.4 | Confident | 182 Ų | 182 | 104.1 Ų | 104.1 | 69% | 0.687 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.5 | -45.4 | 176.2 | -72.4 | 175.1 | 179.5 | 179.2 | 0.1 | 111.5 | G75 E76 N77 M81 V82 L83 | G75-R79 WeakPolarHBondContact O-CG 3.33Å; G75-R79 PolarHBondContact O-N 2.93Å; G75-R79 VanDerWaalsContact O-N 3.1Å; E76-R79 WeakPolarHBondContact O-CB 3.4Å; E76-R79 PolarHBondContact O-N 3.42Å; E76-R79 VanDerWaalsContact O-N 3.07Å; N77-R79 PolarHBondContact O-N 2.9Å; R79-M81 VanDerWaalsContact C-N 3.34Å; R79-M81 PolarHBondContact O-N 3.26Å; R79-V82 PolarHBondContact O-N 3.46Å; R79-L83 WeakPolarHBondContact O-CG 3.49Å; R79-L83 PolarHBondContact O-N 3.37Å |
| 80 | N | 87.6 | Confident | 89.6 | Confident | 104 Ų | 104 | 103.8 Ų | 103.8 | 56% | 0.556 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.9 | -41.3 | 178.2 | -74 | -3.1 | 0 | 0 | 0 | 111.8 | E76 N77 L83 S84 | E76-N80 PolarHBondContact O-N 3.37Å; N77-N80 PolarHBondContact O-N 3.04Å; N80-L83 PolarHBondContact O-N 3.47Å; N80-S84 WeakPolarHBondContact O-CB 3.39Å; N80-S84 PolarHBondContact O-N 2.91Å |
| 81 | M | 89.3 | Confident | 89.8 | Confident | 128 Ų | 128 | 103.6 Ų | 103.6 | 63% | 0.631 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60 | -48.8 | 174.2 | -175.3 | -171.2 | 176.4 | 0 | 0 | 111.3 | N77 R79 L83 S84 V85 | N77-M81 WeakPolarHBondContact O-CB 3.38Å; N77-M81 PolarHBondContact O-N 3.4Å; R79-M81 VanDerWaalsContact C-N 3.34Å; R79-M81 PolarHBondContact O-N 3.26Å; M81-L83 VanDerWaalsContact C-N 3.32Å; M81-L83 PolarHBondContact O-N 2.82Å; M81-S84 PolarHBondContact O-N 2.97Å; M81-V85 WeakPolarHBondContact O-CG2 3.32Å; M81-V85 PolarHBondContact O-N 3.24Å |
| 82 | V | 89.8 | Confident | 89.9 | Confident | 91 Ų | 91 | 103.2 Ų | 103.2 | 55% | 0.552 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.1 | -41.3 | 178.7 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | R78 R79 V85 A86 | R78-V82 VanDerWaalsContact O-CG2 3.31Å; R78-V82 WeakPolarHBondContact O-CG2 3.36Å; R78-V82 PolarHBondContact O-N 2.91Å; R79-V82 PolarHBondContact O-N 3.46Å; V82-V85 PolarHBondContact O-N 2.88Å; V82-A86 WeakPolarHBondContact O-CB 3.34Å; V82-A86 PolarHBondContact O-N 2.94Å |
| 83 | L | 91.5 | Very high | 90.1 | Very high | 106 Ų | 106 | 102.4 Ų | 102.4 | 56% | 0.555 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.7 | -44.1 | 175.9 | -72.1 | 172.1 | 0 | 0 | 0 | 112 | R79 N80 M81 V85 A86 L87 | R79-L83 WeakPolarHBondContact O-CG 3.49Å; R79-L83 PolarHBondContact O-N 3.37Å; N80-L83 PolarHBondContact O-N 3.47Å; M81-L83 VanDerWaalsContact C-N 3.32Å; M81-L83 PolarHBondContact O-N 2.82Å; L83-V85 PolarHBondContact O-N 3.35Å; L83-A86 PolarHBondContact O-N 2.93Å; L83-L87 WeakPolarHBondContact O-CG 3.33Å; L83-L87 PolarHBondContact O-N 2.72Å |
| 84 | S | 91.9 | Very high | 90.6 | Very high | 77 Ų | 77 | 103.1 Ų | 103.1 | 54% | 0.538 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 176.6 | 179.5 | 0 | 0 | 0 | 0 | 112 | N80 M81 L87 L88 | N80-S84 WeakPolarHBondContact O-CB 3.39Å; N80-S84 PolarHBondContact O-N 2.91Å; M81-S84 PolarHBondContact O-N 2.97Å; S84-L87 PolarHBondContact O-N 3.29Å; S84-L88 WeakPolarHBondContact O-CB 3.39Å; S84-L88 PolarHBondContact O-N 2.91Å |
| 85 | V | 93.7 | Very high | 90.7 | Very high | 78 Ų | 78 | 101.3 Ų | 101.3 | 47% | 0.473 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 176.4 | 173 | 0 | 0 | 0 | 0 | 111.5 | M81 V82 L83 L88 T89 | M81-V85 WeakPolarHBondContact O-CG2 3.32Å; M81-V85 PolarHBondContact O-N 3.24Å; V82-V85 PolarHBondContact O-N 2.88Å; L83-V85 PolarHBondContact O-N 3.35Å; V85-L88 PolarHBondContact O-N 3.42Å; V85-T89 WeakPolarHBondContact O-CB 3.44Å; V85-T89 PolarHBondContact O-N 2.89Å; V85-T89 PolarHBondContact O-OG1 2.98Å |
| 86 | A | 94.3 | Very high | 90.9 | Very high | 45 Ų | 45 | 106.1 Ų | 106.1 | 37% | 0.372 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V82 L83 L88 T89 I90 | V82-A86 WeakPolarHBondContact O-CB 3.34Å; V82-A86 PolarHBondContact O-N 2.94Å; L83-A86 PolarHBondContact O-N 2.93Å; A86-L88 PolarHBondContact O-N 3.28Å; A86-T89 PolarHBondContact O-N 3.36Å; A86-I90 VanDerWaalsContact O-CG1 3.28Å; A86-I90 WeakPolarHBondContact O-CG1 3.4Å; A86-I90 PolarHBondContact O-N 3.31Å |
| 87 | L | 95.3 | Very high | 91 | Very high | 116 Ų | 116 | 106.1 Ų | 106.1 | 61% | 0.607 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.1 | -45 | 176 | -71.5 | 173.1 | 0 | 0 | 0 | 111.7 | L83 S84 T89 I90 S91 | L83-L87 WeakPolarHBondContact O-CG 3.33Å; L83-L87 PolarHBondContact O-N 2.72Å; S84-L87 PolarHBondContact O-N 3.29Å; L87-T89 VanDerWaalsContact C-N 3.3Å; L87-T89 PolarHBondContact O-N 2.98Å; L87-I90 PolarHBondContact O-N 3.5Å; L87-S91 WeakPolarHBondContact O-CB 3.24Å; L87-S91 PolarHBondContact O-N 3.5Å; L87-S91 PolarHBondContact O-OG 2.83Å; L87-S91 VanDerWaalsContact O-OG 3.06Å |
| 88 | L | 93.6 | Very high | 90.8 | Very high | 125 Ų | 125 | 106 Ų | 106 | 65% | 0.654 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.9 | -41.9 | 177.5 | -169.5 | 106.4 | 0 | 0 | 0 | 111.5 | S84 V85 A86 S91 A92 | S84-L88 WeakPolarHBondContact O-CB 3.39Å; S84-L88 PolarHBondContact O-N 2.91Å; V85-L88 PolarHBondContact O-N 3.42Å; A86-L88 PolarHBondContact O-N 3.28Å; L88-S91 PolarHBondContact O-N 3.46Å; L88-A92 WeakPolarHBondContact O-CB 3.3Å; L88-A92 PolarHBondContact O-N 3.36Å |
| 89 | T | 94.4 | Very high | 90.3 | Very high | 69 Ų | 69 | 102.7 Ų | 102.7 | 42% | 0.423 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 179.4 | -54.2 | 0 | 0 | 0 | 0 | 111 | V85 A86 L87 A92 L93 | V85-T89 WeakPolarHBondContact O-CB 3.44Å; V85-T89 PolarHBondContact O-N 2.89Å; V85-T89 PolarHBondContact O-OG1 2.98Å; A86-T89 PolarHBondContact O-N 3.36Å; L87-T89 VanDerWaalsContact C-N 3.3Å; L87-T89 PolarHBondContact O-N 2.98Å; T89-A92 PolarHBondContact O-N 3.5Å; T89-L93 HydrophobicContact CG2-CD1 4.43Å; T89-L93 WeakPolarHBondContact O-CG 3.39Å; T89-L93 PolarHBondContact O-N 3.43Å |
| 90 | I | 95.3 | Very high | 89.6 | Confident | 87 Ų | 87 | 98.9 Ų | 98.9 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.2 | -47.9 | 175.7 | -69.9 | 166.8 | 0 | 0 | 0 | 110.1 | A86 L87 A92 L93 F94 | A86-I90 VanDerWaalsContact O-CG1 3.28Å; A86-I90 WeakPolarHBondContact O-CG1 3.4Å; A86-I90 PolarHBondContact O-N 3.31Å; L87-I90 PolarHBondContact O-N 3.5Å; I90-A92 VanDerWaalsContact C-N 3.33Å; I90-A92 PolarHBondContact O-N 2.73Å; I90-L93 PolarHBondContact O-N 3.47Å; I90-F94 HydrophobicContact CG2-CD2 3.55Å; I90-F94 HydrophobicContact CG2-CE2 3.38Å; I90-F94 WeakPolarHBondContact O-CD2 3.28Å; I90-F94 PolarHBondContact O-N 3.36Å |
| 91 | S | 92.4 | Very high | 88.5 | Confident | 76 Ų | 76 | 97.7 Ų | 97.7 | 53% | 0.531 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | 176.8 | -63.1 | 0 | 0 | 0 | 0 | 112.6 | L87 L88 F94 Y95 | L87-S91 WeakPolarHBondContact O-CB 3.24Å; L87-S91 PolarHBondContact O-N 3.5Å; L87-S91 PolarHBondContact O-OG 2.83Å; L87-S91 VanDerWaalsContact O-OG 3.06Å; L88-S91 PolarHBondContact O-N 3.46Å; S91-F94 PolarHBondContact O-N 2.86Å; S91-Y95 WeakPolarHBondContact O-CB 3.35Å; S91-Y95 PolarHBondContact O-N 2.91Å |
| 92 | A | 91.9 | Very high | 87.2 | Confident | 55 Ų | 55 | 98.2 Ų | 98.2 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66 | -39.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L88 T89 I90 Y95 Y96 | L88-A92 WeakPolarHBondContact O-CB 3.3Å; L88-A92 PolarHBondContact O-N 3.36Å; T89-A92 PolarHBondContact O-N 3.5Å; I90-A92 VanDerWaalsContact C-N 3.33Å; I90-A92 PolarHBondContact O-N 2.73Å; A92-Y95 PolarHBondContact O-N 2.87Å; A92-Y96 WeakPolarHBondContact O-CB 3.18Å; A92-Y96 PolarHBondContact O-N 3.38Å |
| 93 | L | 92.7 | Very high | 85.7 | Confident | 103 Ų | 103 | 100.3 Ų | 100.3 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 173.8 | -72.1 | 173.3 | 0 | 0 | 0 | 111.4 | T89 I90 Y96 V97 | T89-L93 HydrophobicContact CG2-CD1 4.43Å; T89-L93 WeakPolarHBondContact O-CG 3.39Å; T89-L93 PolarHBondContact O-N 3.43Å; I90-L93 PolarHBondContact O-N 3.47Å; L93-Y96 PolarHBondContact O-N 3.23Å; L93-V97 VanDerWaalsContact O-CB 3.3Å; L93-V97 WeakPolarHBondContact O-CB 3.47Å; L93-V97 VanDerWaalsContact O-CG2 3.24Å; L93-V97 WeakPolarHBondContact O-CG2 3.48Å; L93-V97 PolarHBondContact O-N 2.87Å |
| 94 | F | 93.3 | Very high | 84 | Confident | 120 Ų | 120 | 100.8 Ų | 100.8 | 53% | 0.526 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 173.7 | -82.3 | -67 | 0 | 0 | 0 | 111.6 | I90 S91 Y96 V97 F98 | I90-F94 HydrophobicContact CG2-CD2 3.55Å; I90-F94 HydrophobicContact CG2-CE2 3.38Å; I90-F94 WeakPolarHBondContact O-CD2 3.28Å; I90-F94 PolarHBondContact O-N 3.36Å; S91-F94 PolarHBondContact O-N 2.86Å; F94-Y96 PolarHBondContact O-N 3.41Å; F94-V97 PolarHBondContact O-N 3.4Å; F94-F98 AromaticContact CD1-CD2 3.71Å; F94-F98 HydrophobicContact CD1-CD2 3.71Å; F94-F98 AromaticContact CD1-CE2 3.48Å; F94-F98 HydrophobicContact CD1-CE2 3.48Å; F94-F98 VanDerWaalsContact CD1-CE2 3.48Å; F94-F98 HydrophobicContact CE1-CD2 4.5Å; F94-F98 AromaticContact CE1-CE2 3.83Å; F94-F98 HydrophobicContact CE1-CE2 3.83Å; F94-F98 WeakPolarHBondContact O-CB 3.38Å; F94-F98 WeakPolarHBondContact O-CD2 3.42Å; F94-F98 PolarHBondContact O-N 2.92Å |
| 95 | Y | 91.8 | Very high | 82 | Confident | 141 Ų | 141 | 105.9 Ų | 105.9 | 55% | 0.553 | 55% | 0.552 | S | S | * | * | I | π-helix | trans | -59.7 | -46.1 | 176.2 | 179.9 | -100.4 | 0 | 0 | 0 | 111.9 | S91 A92 F99 Y100 | S91-Y95 WeakPolarHBondContact O-CB 3.35Å; S91-Y95 PolarHBondContact O-N 2.91Å; A92-Y95 PolarHBondContact O-N 2.87Å; Y95-F99 HydrophobicContact CD2-CB 3.93Å; Y95-F99 HydrophobicContact CD2-CD2 4.16Å; Y95-F99 HydrophobicContact CD2-CG 4.23Å; Y95-F99 HydrophobicContact CE2-CB 3.93Å; Y95-F99 HydrophobicContact CE2-CG 4.43Å; Y95-F99 WeakPolarHBondContact O-CA 3.39Å; Y95-F99 WeakPolarHBondContact O-CB 3.43Å; Y95-F99 PolarHBondContact O-N 3.06Å; Y95-Y100 PolarHBondContact O-N 3.11Å |
| 96 | Y | 89.8 | Confident | 81.4 | Confident | 135 Ų | 135 | 107.3 Ų | 107.3 | 53% | 0.529 | 56% | 0.556 | S | S | . | * | I | π-helix | trans | -66.2 | -47.1 | 179 | -171.4 | -95.4 | 0 | 0 | 0 | 112 | A92 L93 F94 Y100 N101 | A92-Y96 WeakPolarHBondContact O-CB 3.18Å; A92-Y96 PolarHBondContact O-N 3.38Å; L93-Y96 PolarHBondContact O-N 3.23Å; F94-Y96 PolarHBondContact O-N 3.41Å; Y96-Y100 AromaticContact CD2-CD1 3.76Å; Y96-Y100 HydrophobicContact CD2-CD1 3.76Å; Y96-Y100 HydrophobicContact CD2-CE1 4.49Å; Y96-Y100 HydrophobicContact CD2-CG 4.01Å; Y96-Y100 AromaticContact CE2-CD1 3.44Å; Y96-Y100 HydrophobicContact CE2-CD1 3.44Å; Y96-Y100 VanDerWaalsContact CE2-CD1 3.44Å; Y96-Y100 AromaticContact CE2-CE1 3.77Å; Y96-Y100 HydrophobicContact CE2-CE1 3.77Å; Y96-Y100 HydrophobicContact CE2-CG 4.09Å; Y96-Y100 AromaticContact CZ-CD1 3.95Å; Y96-Y100 WeakPolarHBondContact O-CB 3.44Å; Y96-N101 PolarHBondContact O-N 3.14Å; Y96-N101 PolarHBondContact O-ND2 3.44Å |
| 97 | V | 87.5 | Confident | 80.7 | Confident | 82 Ų | 82 | 110.5 Ų | 110.5 | 50% | 0.497 | 57% | 0.565 | S | S | . | * | I | π-helix | trans | -70.4 | -40.3 | -176 | 171.4 | 0 | 0 | 0 | 0 | 112.4 | L93 F94 N101 | L93-V97 VanDerWaalsContact O-CB 3.3Å; L93-V97 WeakPolarHBondContact O-CB 3.47Å; L93-V97 VanDerWaalsContact O-CG2 3.24Å; L93-V97 WeakPolarHBondContact O-CG2 3.48Å; L93-V97 PolarHBondContact O-N 2.87Å; F94-V97 PolarHBondContact O-N 3.4Å; V97-N101 PolarHBondContact O-ND2 3.3Å |
| 98 | F | 81.8 | Confident | 79.9 | Confident | 113 Ų | 113 | 110.2 Ų | 110.2 | 50% | 0.496 | 56% | 0.563 | S | S | . | * | I | π-helix | trans | -94 | -52.4 | -174.9 | -72.4 | -89.9 | 0 | 0 | 0 | 112.4 | F94 E102 | F94-F98 AromaticContact CD1-CD2 3.71Å; F94-F98 HydrophobicContact CD1-CD2 3.71Å; F94-F98 AromaticContact CD1-CE2 3.48Å; F94-F98 HydrophobicContact CD1-CE2 3.48Å; F94-F98 VanDerWaalsContact CD1-CE2 3.48Å; F94-F98 HydrophobicContact CE1-CD2 4.5Å; F94-F98 AromaticContact CE1-CE2 3.83Å; F94-F98 HydrophobicContact CE1-CE2 3.83Å; F94-F98 WeakPolarHBondContact O-CB 3.38Å; F94-F98 WeakPolarHBondContact O-CD2 3.42Å; F94-F98 PolarHBondContact O-N 2.92Å; F98-E102 WeakPolarHBondContact O-CB 3.47Å; F98-E102 WeakPolarHBondContact O-CG 3.4Å; F98-E102 PolarHBondContact O-N 3Å |
| 99 | F | 73.4 | Confident | 79.1 | Confident | 124 Ų | 124 | 109.4 Ų | 109.4 | 54% | 0.544 | 56% | 0.557 | S | S | . | * | I | π-helix | trans | -86.9 | -45.6 | -172 | -68.3 | -86.5 | 0 | 0 | 0 | 112.7 | Y95 N101 E102 D103 | Y95-F99 HydrophobicContact CD2-CB 3.93Å; Y95-F99 HydrophobicContact CD2-CD2 4.16Å; Y95-F99 HydrophobicContact CD2-CG 4.23Å; Y95-F99 HydrophobicContact CE2-CB 3.93Å; Y95-F99 HydrophobicContact CE2-CG 4.43Å; Y95-F99 WeakPolarHBondContact O-CA 3.39Å; Y95-F99 WeakPolarHBondContact O-CB 3.43Å; Y95-F99 PolarHBondContact O-N 3.06Å; F99-N101 PolarHBondContact O-N 3.46Å; F99-E102 PolarHBondContact O-N 2.96Å; F99-D103 PolarHBondContact O-N 2.9Å |
| 100 | Y | 71.4 | Confident | 78.1 | Confident | 102 Ų | 102 | 111.9 Ų | 111.9 | 40% | 0.4 | 57% | 0.566 | S | S | . | * | I | π-helix | trans | -68.7 | -33.8 | -178.6 | -176.8 | -92.4 | 0 | 0 | 0 | 112.7 | Y95 Y96 D104 | Y95-Y100 PolarHBondContact O-N 3.11Å; Y96-Y100 AromaticContact CD2-CD1 3.76Å; Y96-Y100 HydrophobicContact CD2-CD1 3.76Å; Y96-Y100 HydrophobicContact CD2-CE1 4.49Å; Y96-Y100 HydrophobicContact CD2-CG 4.01Å; Y96-Y100 AromaticContact CE2-CD1 3.44Å; Y96-Y100 HydrophobicContact CE2-CD1 3.44Å; Y96-Y100 VanDerWaalsContact CE2-CD1 3.44Å; Y96-Y100 AromaticContact CE2-CE1 3.77Å; Y96-Y100 HydrophobicContact CE2-CE1 3.77Å; Y96-Y100 HydrophobicContact CE2-CG 4.09Å; Y96-Y100 AromaticContact CZ-CD1 3.95Å; Y96-Y100 WeakPolarHBondContact O-CB 3.44Å; Y100-D104 WeakPolarHBondContact CE1-OD2 3.35Å; Y100-D104 PolarHBondContact OH-OD2 3.21Å; Y100-D104 VanDerWaalsContact OH-OD2 3.11Å |
| 101 | N | 64.4 | Low | 77 | Confident | 79 Ų | 79 | 113.5 Ų | 113.5 | 42% | 0.422 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -77.2 | -24.6 | 174.9 | -74.1 | -85.7 | 0 | 0 | 0 | 113.3 | Y96 V97 F99 T105 | Y96-N101 PolarHBondContact O-N 3.14Å; Y96-N101 PolarHBondContact O-ND2 3.44Å; V97-N101 PolarHBondContact O-ND2 3.3Å; F99-N101 PolarHBondContact O-N 3.46Å; N101-T105 PolarHBondContact O-OG1 3.31Å; N101-T105 VanDerWaalsContact O-OG1 3.14Å |
| 102 | E | 60.4 | Low | 75.9 | Confident | 139 Ų | 139 | 116.2 Ų | 116.2 | 65% | 0.65 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.8 | -30.8 | 172.5 | -90.7 | 178.1 | 143.3 | 0 | 0 | 112.4 | F98 F99 | F98-E102 WeakPolarHBondContact O-CB 3.47Å; F98-E102 WeakPolarHBondContact O-CG 3.4Å; F98-E102 PolarHBondContact O-N 3Å; F99-E102 PolarHBondContact O-N 2.96Å |
| 103 | D | 58.2 | Low | 74.6 | Confident | 134 Ų | 134 | 120.9 Ų | 120.9 | 72% | 0.717 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -78.6 | -17 | 179.3 | -72.8 | -35.7 | 0 | 0 | 0 | 113.8 | F99 | F99-D103 PolarHBondContact O-N 2.9Å |
| 104 | D | 56.8 | Low | 73.1 | Confident | 117 Ų | 117 | 122.4 Ų | 122.4 | 63% | 0.626 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 11.5 | -176.7 | -107.3 | -23 | 0 | 0 | 0 | 114.2 | Y100 | Y100-D104 WeakPolarHBondContact CE1-OD2 3.35Å; Y100-D104 PolarHBondContact OH-OD2 3.21Å; Y100-D104 VanDerWaalsContact OH-OD2 3.11Å |
| 105 | T | 48.8 | Very low | 71.3 | Confident | 183 Ų | 183 | 122.6 Ų | 122.6 | 100% | 1.123 | 60% | 0.596 | S | S | * | * | trans | -115.6 | 0 | 173.6 | -8.3 | 0 | 0 | 0 | 0 | 112.6 | N101 | N101-T105 PolarHBondContact O-OG1 3.31Å; N101-T105 VanDerWaalsContact O-OG1 3.14Å |
Retrieved 105 of 105 residues in 102.9 ms
(Link to these results)