| 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 | 23.9 | Very low | 29.4 | Very low | 224 Ų | 224 | 134.8 Ų | 134.8 | 100% | 1.103 | 80% | 0.802 | S | S | * | * | 0 | 178.5 | 0 | -75.9 | 170.4 | 54.3 | 0 | 0 | 108.3 | |||||
| 2 | S | 26.7 | Very low | 29.9 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | trans | 54.1 | 147.9 | 147.1 | 35.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 3 | E | 32.5 | Very low | 29.7 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | cis | -151.4 | -180 | -17 | -120 | 168 | -112.5 | 0 | 0 | 107 | R5 | E3-R5 IonicContact OE2-CZ 2.64Å; E3-R5 IonicContact OE2-NH2 3.2Å; E3-R5 PolarHBondContact OE2-NH2 2.95Å | ||
| 4 | G | 32.2 | Very low | 30 | Very low | 60 Ų | 60 | 143.1 Ų | 143.1 | 62% | 0.619 | 81% | 0.814 | S | S | * | * | 66.1 | 132.5 | 55.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 5 | R | 29.2 | Very low | 30.2 | Very low | 212 Ų | 212 | 146 Ų | 146 | 80% | 0.8 | 81% | 0.814 | S | S | * | * | cis | -161.3 | 164.6 | -0.7 | -127.5 | 168.6 | -65.7 | -152.4 | 0.1 | 109.8 | E3 | E3-R5 IonicContact OE2-CZ 2.64Å; E3-R5 IonicContact OE2-NH2 3.2Å; E3-R5 PolarHBondContact OE2-NH2 2.95Å | ||
| 6 | C | 29.8 | Very low | 30.2 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -69 | 139.4 | -179.1 | -39.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 7 | L | 32.7 | Very low | 30.5 | Very low | 181 Ų | 181 | 150.1 Ų | 150.1 | 95% | 0.948 | 82% | 0.821 | S | S | * | * | trans | -165.8 | 148.8 | 150.7 | -92.2 | 179 | 0 | 0 | 0 | 106.8 | ||||
| 8 | G | 29.1 | Very low | 31 | Very low | 64 Ų | 64 | 148.1 Ų | 148.1 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | cis | -171.9 | 145.7 | -7.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 9 | S | 26.9 | Very low | 31.4 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -75.8 | 135.3 | -169 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 10 | V | 33.2 | Very low | 32 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -116.5 | 132.4 | 163.9 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 11 | S | 27.4 | Very low | 32.5 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -117.6 | 118.6 | -178.7 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 12 | Q | 34.6 | Very low | 33.7 | Very low | 178 Ų | 178 | 136 Ų | 136 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | -138 | 141.5 | 166.6 | -70.9 | -160.6 | 2.7 | 0 | 0 | 111.5 | ||||
| 13 | K | 28.2 | Very low | 34.6 | Very low | 204 Ų | 204 | 135.3 Ų | 135.3 | 89% | 0.887 | 74% | 0.737 | S | S | * | * | trans | -89.8 | 109.2 | -175.7 | -62.7 | 169.9 | -179.8 | 173 | 0 | 110.5 | ||||
| 14 | T | 33.7 | Very low | 35.7 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 85% | 0.847 | 73% | 0.728 | S | S | * | * | trans | -98.7 | 149.3 | 162.6 | 45.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 15 | K | 32.9 | Very low | 37.1 | Very low | 187 Ų | 187 | 135.1 Ų | 135.1 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | trans | -86.7 | 133.8 | -164.3 | -61.8 | 167.4 | -176.2 | 171.4 | 0 | 110.4 | W17 | K15-W17 PolarHBondContact O-N 2.72Š| ||
| 16 | C | 30.4 | Very low | 38.3 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 89% | 0.892 | 70% | 0.702 | S | S | * | * | trans | -61.9 | 101.1 | 167 | -72.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 17 | W | 34.7 | Very low | 39.5 | Very low | 229 Ų | 229 | 129 Ų | 129 | 87% | 0.867 | 69% | 0.69 | S | S | * | * | trans | -70.8 | 133.3 | 158.7 | -82.3 | 63 | 0 | 0 | 0 | 107.8 | K15 V19 | K15-W17 PolarHBondContact O-N 2.72Å; W17-V19 PolarHBondContact O-N 2.74Å | ||
| 18 | N | 39 | Very low | 40.7 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 61% | 0.61 | 67% | 0.667 | S | S | * | * | trans | -77.1 | 91.6 | -163.7 | -168.1 | -8 | 0 | 0 | 0 | 110.9 | S20 S21 | N18-S20 PolarHBondContact O-N 2.65Å; N18-S20 VanDerWaalsContact OD1-CB 3.25Å; N18-S20 WeakPolarHBondContact OD1-CB 3.17Å; N18-S20 PolarHBondContact OD1-N 3.5Å; N18-S20 PolarHBondContact OD1-OG 2.74Å; N18-S21 WeakPolarHBondContact O-CB 3.49Å; N18-S21 PolarHBondContact O-N 2.76Å | ||
| 19 | V | 40.2 | Very low | 41.9 | Very low | 91 Ų | 91 | 127.4 Ų | 127.4 | 55% | 0.552 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -52.1 | -30.7 | -178.9 | 179.4 | 0 | 0 | 0 | 0 | 112 | W17 S21 W22 I23 | W17-V19 PolarHBondContact O-N 2.74Å; V19-S21 PolarHBondContact O-N 2.82Å; V19-S21 VanDerWaalsContact O-N 3.14Å; V19-W22 PolarHBondContact O-N 3.13Å; V19-I23 HydrophobicContact CG1-CD1 3.74Å; V19-I23 HydrophobicContact CG1-CG1 3.98Å; V19-I23 PolarHBondContact O-N 3.46Å |
| 20 | S | 41.9 | Very low | 42.9 | Very low | 80 Ų | 80 | 126.9 Ų | 126.9 | 56% | 0.559 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -54.9 | -30.4 | 173.5 | -39.1 | 0 | 0 | 0 | 0 | 113.3 | N18 K24 | N18-S20 PolarHBondContact O-N 2.65Å; N18-S20 VanDerWaalsContact OD1-CB 3.25Å; N18-S20 WeakPolarHBondContact OD1-CB 3.17Å; N18-S20 PolarHBondContact OD1-N 3.5Å; N18-S20 PolarHBondContact OD1-OG 2.74Å; S20-K24 WeakPolarHBondContact O-CB 3.22Å; S20-K24 PolarHBondContact O-N 2.89Å |
| 21 | S | 44.2 | Very low | 43.4 | Very low | 68 Ų | 68 | 121.6 Ų | 121.6 | 48% | 0.476 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -75.9 | -35.1 | 175.7 | -164 | 0 | 0 | 0 | 0 | 112.5 | N18 V19 N25 | N18-S21 WeakPolarHBondContact O-CB 3.49Å; N18-S21 PolarHBondContact O-N 2.76Å; V19-S21 PolarHBondContact O-N 2.82Å; V19-S21 VanDerWaalsContact O-N 3.14Å; S21-N25 WeakPolarHBondContact O-CB 3.27Å; S21-N25 PolarHBondContact O-N 3.43Å; S21-N25 PolarHBondContact O-OD1 3.02Å; S21-N25 VanDerWaalsContact O-OD1 3.06Å |
| 22 | W | 47.9 | Very low | 44.4 | Very low | 175 Ų | 175 | 119.9 Ų | 119.9 | 66% | 0.663 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73.5 | -44.1 | 176.1 | -178.3 | 82.1 | 0 | 0 | 0 | 111 | V19 N25 K26 | V19-W22 PolarHBondContact O-N 3.13Å; W22-N25 PolarHBondContact O-N 2.72Å; W22-K26 HydrophobicContact CH2-CD 4.2Å; W22-K26 HydrophobicContact CZ2-CD 4.04Å; W22-K26 WeakPolarHBondContact O-CB 3.19Å; W22-K26 PolarHBondContact O-N 2.93Å |
| 23 | I | 45.4 | Very low | 44.7 | Very low | 81 Ų | 81 | 117.8 Ų | 117.8 | 42% | 0.415 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -59.8 | -47 | 172.4 | -68.8 | 178.1 | 0 | 0 | 0 | 110.2 | V19 K26 I27 | V19-I23 HydrophobicContact CG1-CD1 3.74Å; V19-I23 HydrophobicContact CG1-CG1 3.98Å; V19-I23 PolarHBondContact O-N 3.46Å; I23-K26 PolarHBondContact O-N 3.29Å; I23-I27 HydrophobicContact CG2-CD1 3.6Å; I23-I27 HydrophobicContact CG2-CG1 4.33Å; I23-I27 WeakPolarHBondContact O-CB 3.39Å; I23-I27 VanDerWaalsContact O-CG1 3.28Å; I23-I27 WeakPolarHBondContact O-CG1 3.42Å; I23-I27 PolarHBondContact O-N 3.01Å |
| 24 | K | 56.6 | Low | 45 | Very low | 116 Ų | 116 | 110.6 Ų | 110.6 | 50% | 0.504 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.2 | -49.3 | 178.6 | -177.2 | 178.4 | 173.1 | -173.5 | 0 | 111.9 | S20 K26 I27 E28 | S20-K24 WeakPolarHBondContact O-CB 3.22Å; S20-K24 PolarHBondContact O-N 2.89Å; K24-K26 VanDerWaalsContact C-N 3.31Å; K24-K26 PolarHBondContact O-N 3.04Å; K24-I27 PolarHBondContact O-N 3.3Å; K24-E28 WeakPolarHBondContact CE-OE1 3.41Å; K24-E28 HydrophobicContact CG-CG 4.39Å; K24-E28 IonicContact NZ-OE1 3.26Å; K24-E28 PolarHBondContact NZ-OE1 3.25Å; K24-E28 WeakPolarHBondContact O-CB 3.15Å; K24-E28 WeakPolarHBondContact O-CG 3.49Å; K24-E28 PolarHBondContact O-N 2.66Å |
| 25 | N | 61.2 | Low | 45.1 | Very low | 85 Ų | 85 | 113 Ų | 113 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.8 | -42.6 | 177.9 | -74.1 | 23.6 | 0 | 0 | 0 | 111.1 | S21 W22 E28 D29 | S21-N25 WeakPolarHBondContact O-CB 3.27Å; S21-N25 PolarHBondContact O-N 3.43Å; S21-N25 PolarHBondContact O-OD1 3.02Å; S21-N25 VanDerWaalsContact O-OD1 3.06Å; W22-N25 PolarHBondContact O-N 2.72Å; N25-E28 CarbonylContact O-C 3.53Å; N25-E28 PolarHBondContact O-N 2.73Å; N25-E28 VanDerWaalsContact O-N 3.15Å; N25-D29 WeakPolarHBondContact O-CB 3.08Å; N25-D29 PolarHBondContact O-N 2.77Å |
| 26 | K | 54.4 | Low | 45.2 | Very low | 96 Ų | 96 | 107.7 Ų | 107.7 | 42% | 0.417 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.2 | -35.1 | 179.8 | -167 | 156.4 | -176.5 | 171.9 | 0 | 113.2 | W22 I23 K24 E30 | W22-K26 HydrophobicContact CH2-CD 4.2Å; W22-K26 HydrophobicContact CZ2-CD 4.04Å; W22-K26 WeakPolarHBondContact O-CB 3.19Å; W22-K26 PolarHBondContact O-N 2.93Å; I23-K26 PolarHBondContact O-N 3.29Å; K24-K26 VanDerWaalsContact C-N 3.31Å; K24-K26 PolarHBondContact O-N 3.04Å; K26-E30 WeakPolarHBondContact CE-OE1 2.92Å; K26-E30 HydrophobicContact CG-CG 4.48Å; K26-E30 IonicContact NZ-OE1 3.88Å; K26-E30 WeakPolarHBondContact O-CB 3.41Å; K26-E30 PolarHBondContact O-N 3.4Å |
| 27 | I | 55.4 | Low | 45.4 | Very low | 115 Ų | 115 | 107.9 Ų | 107.9 | 59% | 0.59 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.2 | -33.5 | 169.8 | -70.5 | 173.2 | 0 | 0 | 0 | 111.5 | I23 K24 G31 | I23-I27 HydrophobicContact CG2-CD1 3.6Å; I23-I27 HydrophobicContact CG2-CG1 4.33Å; I23-I27 WeakPolarHBondContact O-CB 3.39Å; I23-I27 VanDerWaalsContact O-CG1 3.28Å; I23-I27 WeakPolarHBondContact O-CG1 3.42Å; I23-I27 PolarHBondContact O-N 3.01Å; K24-I27 PolarHBondContact O-N 3.3Å; I27-G31 WeakPolarHBondContact O-CA 3.32Å; I27-G31 PolarHBondContact O-N 2.75Å |
| 28 | E | 57.9 | Low | 45.4 | Very low | 101 Ų | 101 | 103.1 Ų | 103.1 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -74 | -41 | 175.4 | -74.9 | -179.1 | 167.4 | 0 | 0 | 111.6 | K24 N25 V32 | K24-E28 WeakPolarHBondContact CE-OE1 3.41Å; K24-E28 HydrophobicContact CG-CG 4.39Å; K24-E28 IonicContact NZ-OE1 3.26Å; K24-E28 PolarHBondContact NZ-OE1 3.25Å; K24-E28 WeakPolarHBondContact O-CB 3.15Å; K24-E28 WeakPolarHBondContact O-CG 3.49Å; K24-E28 PolarHBondContact O-N 2.66Å; N25-E28 CarbonylContact O-C 3.53Å; N25-E28 PolarHBondContact O-N 2.73Å; N25-E28 VanDerWaalsContact O-N 3.15Å; E28-V32 WeakPolarHBondContact O-CB 3.41Å; E28-V32 WeakPolarHBondContact O-CG2 3.32Å; E28-V32 PolarHBondContact O-N 3.34Å |
| 29 | D | 54.3 | Low | 45 | Very low | 110 Ų | 110 | 104.2 Ų | 104.2 | 59% | 0.588 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.9 | -53.7 | 177.2 | -72.9 | -36.4 | 0 | 0 | 0 | 112.3 | N25 G31 V32 Q33 | N25-D29 WeakPolarHBondContact O-CB 3.08Å; N25-D29 PolarHBondContact O-N 2.77Å; D29-G31 VanDerWaalsContact C-N 3.34Å; D29-V32 PolarHBondContact O-N 2.76Å; D29-Q33 PolarHBondContact O-N 2.7Å |
| 30 | E | 46.6 | Very low | 44.5 | Very low | 115 Ų | 115 | 110.6 Ų | 110.6 | 54% | 0.537 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.7 | -32.9 | 177.2 | -67.6 | -176.2 | -162.3 | 0 | 0 | 111.3 | K26 Q33 A34 | K26-E30 WeakPolarHBondContact CE-OE1 2.92Å; K26-E30 HydrophobicContact CG-CG 4.48Å; K26-E30 IonicContact NZ-OE1 3.88Å; K26-E30 WeakPolarHBondContact O-CB 3.41Å; K26-E30 PolarHBondContact O-N 3.4Å; E30-Q33 PolarHBondContact O-N 2.69Å; E30-A34 WeakPolarHBondContact O-CB 3.26Å; E30-A34 PolarHBondContact O-N 2.64Å |
| 31 | G | 43.9 | Very low | 44 | Very low | 25 Ų | 25 | 110.1 Ų | 110.1 | 26% | 0.258 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.7 | -30.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I27 D29 R35 | I27-G31 WeakPolarHBondContact O-CA 3.32Å; I27-G31 PolarHBondContact O-N 2.75Å; D29-G31 VanDerWaalsContact C-N 3.34Å; G31-R35 VanDerWaalsContact O-CB 3.28Å; G31-R35 WeakPolarHBondContact O-CB 3.19Å; G31-R35 VanDerWaalsContact O-CG 3.26Å; G31-R35 WeakPolarHBondContact O-CG 3.36Å; G31-R35 PolarHBondContact O-N 2.83Å |
| 32 | V | 48.5 | Very low | 43.2 | Very low | 77 Ų | 77 | 113 Ų | 113 | 47% | 0.467 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -72 | -39.5 | 170 | 162.1 | 0 | 0 | 0 | 0 | 110.6 | E28 D29 N36 | E28-V32 WeakPolarHBondContact O-CB 3.41Å; E28-V32 WeakPolarHBondContact O-CG2 3.32Å; E28-V32 PolarHBondContact O-N 3.34Å; D29-V32 PolarHBondContact O-N 2.76Å; V32-N36 WeakPolarHBondContact CG1-ND2 3.42Å; V32-N36 WeakPolarHBondContact O-CB 3.19Å; V32-N36 PolarHBondContact O-N 3.12Å; V32-N36 PolarHBondContact O-ND2 2.62Å |
| 33 | Q | 40.8 | Very low | 42.4 | Very low | 135 Ų | 135 | 110 Ų | 110 | 63% | 0.631 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.2 | -48.3 | 171.8 | -69.3 | -164 | 12.1 | 0 | 0 | 111.8 | D29 E30 R35 N36 I37 | D29-Q33 PolarHBondContact O-N 2.7Å; E30-Q33 PolarHBondContact O-N 2.69Å; Q33-R35 PolarHBondContact O-N 3.21Å; Q33-N36 CarbonylContact O-C 3.57Å; Q33-N36 PolarHBondContact O-N 2.97Å; Q33-N36 VanDerWaalsContact O-N 3.08Å; Q33-I37 WeakPolarHBondContact O-CG1 3.12Å; Q33-I37 PolarHBondContact O-N 2.68Å |
| 34 | A | 34.3 | Very low | 41.4 | Very low | 53 Ų | 53 | 113 Ų | 113 | 44% | 0.438 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -58.3 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E30 N36 I37 I38 | E30-A34 WeakPolarHBondContact O-CB 3.26Å; E30-A34 PolarHBondContact O-N 2.64Å; A34-N36 PolarHBondContact O-N 2.69Å; A34-I37 PolarHBondContact O-N 3.42Å; A34-I38 WeakPolarHBondContact O-CG1 3.42Å; A34-I38 PolarHBondContact O-N 2.87Å; A34-I38 VanDerWaalsContact O-N 3.14Å |
| 35 | R | 35.9 | Very low | 40.1 | Very low | 188 Ų | 188 | 114.9 Ų | 114.9 | 71% | 0.709 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.8 | -31.3 | 174.6 | -74.6 | 176.5 | 179.4 | 165.3 | 2.9 | 113.1 | G31 Q33 I38 K39 | G31-R35 VanDerWaalsContact O-CB 3.28Å; G31-R35 WeakPolarHBondContact O-CB 3.19Å; G31-R35 VanDerWaalsContact O-CG 3.26Å; G31-R35 WeakPolarHBondContact O-CG 3.36Å; G31-R35 PolarHBondContact O-N 2.83Å; Q33-R35 PolarHBondContact O-N 3.21Å; R35-I38 CarbonylContact O-C 3.57Å; R35-I38 PolarHBondContact O-N 3.41Å; R35-K39 WeakPolarHBondContact O-CG 2.89Å; R35-K39 PolarHBondContact O-N 3.12Å; R35-K39 VanDerWaalsContact O-N 3.09Å |
| 36 | N | 35.9 | Very low | 38.4 | Very low | 76 Ų | 76 | 117.2 Ų | 117.2 | 41% | 0.406 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -75.9 | -29.2 | 176.7 | -73.2 | -15.6 | 0 | 0 | 0 | 112.6 | V32 Q33 A34 I38 K39 | V32-N36 WeakPolarHBondContact CG1-ND2 3.42Å; V32-N36 WeakPolarHBondContact O-CB 3.19Å; V32-N36 PolarHBondContact O-N 3.12Å; V32-N36 PolarHBondContact O-ND2 2.62Å; Q33-N36 CarbonylContact O-C 3.57Å; Q33-N36 PolarHBondContact O-N 2.97Å; Q33-N36 VanDerWaalsContact O-N 3.08Å; A34-N36 PolarHBondContact O-N 2.69Å; N36-I38 VanDerWaalsContact C-N 3.3Å; N36-K39 WeakPolarHBondContact O-CB 3.45Å; N36-K39 PolarHBondContact O-N 3.48Å; N36-K39 VanDerWaalsContact O-N 3.13Å; N36-K39 WeakPolarHBondContact OD1-CD 3.31Å; N36-K39 WeakPolarHBondContact OD1-CE 3.29Å; N36-K39 PolarHBondContact OD1-NZ 3Å |
| 37 | I | 34.5 | Very low | 37 | Very low | 135 Ų | 135 | 118.2 Ų | 118.2 | 69% | 0.692 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69 | -33.3 | 168.9 | -68.4 | 168.9 | 0 | 0 | 0 | 110.4 | Q33 A34 K39 | Q33-I37 WeakPolarHBondContact O-CG1 3.12Å; Q33-I37 PolarHBondContact O-N 2.68Å; A34-I37 PolarHBondContact O-N 3.42Å; I37-K39 PolarHBondContact O-N 2.91Å |
| 38 | I | 33.9 | Very low | 35.5 | Very low | 129 Ų | 129 | 118 Ų | 118 | 66% | 0.662 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -5.6 | 171.4 | -63.7 | 168 | 0 | 0 | 0 | 112.3 | A34 R35 N36 Y40 | A34-I38 WeakPolarHBondContact O-CG1 3.42Å; A34-I38 PolarHBondContact O-N 2.87Å; A34-I38 VanDerWaalsContact O-N 3.14Å; R35-I38 CarbonylContact O-C 3.57Å; R35-I38 PolarHBondContact O-N 3.41Å; N36-I38 VanDerWaalsContact C-N 3.3Å; I38-Y40 PolarHBondContact O-N 2.91Å; I38-Y40 VanDerWaalsContact O-N 3.15Å |
| 39 | K | 31.1 | Very low | 33.9 | Very low | 138 Ų | 138 | 119.1 Ų | 119.1 | 60% | 0.6 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 19.9 | 179.1 | -89.1 | -179.1 | -166.1 | 161.1 | 0 | 116.3 | R35 N36 I37 S41 | R35-K39 WeakPolarHBondContact O-CG 2.89Å; R35-K39 PolarHBondContact O-N 3.12Å; R35-K39 VanDerWaalsContact O-N 3.09Å; N36-K39 WeakPolarHBondContact O-CB 3.45Å; N36-K39 PolarHBondContact O-N 3.48Å; N36-K39 VanDerWaalsContact O-N 3.13Å; N36-K39 WeakPolarHBondContact OD1-CD 3.31Å; N36-K39 WeakPolarHBondContact OD1-CE 3.29Å; N36-K39 PolarHBondContact OD1-NZ 3Å; I37-K39 PolarHBondContact O-N 2.91Å; K39-S41 PolarHBondContact O-N 3.12Å |
| 40 | Y | 30 | Very low | 32.5 | Very low | 225 Ų | 225 | 119.1 Ų | 119.1 | 88% | 0.882 | 65% | 0.651 | S | S | * | * | trans | -73.6 | 55.8 | 145.8 | -76.6 | -76.3 | 0 | 0 | 0 | 110 | I38 | I38-Y40 PolarHBondContact O-N 2.91Å; I38-Y40 VanDerWaalsContact O-N 3.15Å | ||
| 41 | S | 30.7 | Very low | 31.4 | Very low | 70 Ų | 70 | 124.9 Ų | 124.9 | 49% | 0.49 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -78.5 | 136.9 | -175.9 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | K39 | K39-S41 PolarHBondContact O-N 3.12Š|
| 42 | V | 29.1 | Very low | 30.5 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 77% | 0.77 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -59 | 139.7 | 159.7 | 177.8 | 0 | 0 | 0 | 0 | 108.5 | I44 | V42-I44 PolarHBondContact O-N 3.22Š|
| 43 | P | 29.2 | Very low | 29.2 | Very low | 112 Ų | 112 | 142 Ų | 142 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 136 | -173 | -29.7 | 36.4 | 0 | 0 | 0 | 114.5 | ||
| 44 | I | 25.8 | Very low | 28.6 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | trans | -95.8 | 90.4 | 172.5 | -56.2 | 175.8 | 0 | 0 | 0 | 108 | V42 N46 | V42-I44 PolarHBondContact O-N 3.22Å; I44-N46 PolarHBondContact O-N 3.01Å | ||
| 45 | D | 29 | Very low | 28.1 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 84% | 0.84 | 74% | 0.738 | S | S | * | * | trans | -70.9 | 96.2 | 167.3 | -75.3 | -34.4 | 0 | 0 | 0 | 109.1 | ||||
| 46 | N | 25.7 | Very low | 27.5 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | trans | -73.2 | 128.5 | -174.6 | -150.8 | 15.1 | 0 | 0 | 0 | 110.4 | I44 S48 | I44-N46 PolarHBondContact O-N 3.01Å; N46-S48 PolarHBondContact O-N 2.75Å | ||
| 47 | P | 24.9 | Very low | 27 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | -73.4 | 132.2 | -170.4 | 28.7 | -34.9 | 0 | 0 | 0 | 112.2 | ||||
| 48 | S | 23.9 | Very low | 26.5 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -136 | 92 | 177 | -77.1 | 0 | 0 | 0 | 0 | 113.1 | N46 | N46-S48 PolarHBondContact O-N 2.75Š| ||
| 49 | S | 22.9 | Very low | 25.8 | Very low | 124 Ų | 124 | 149.4 Ų | 149.4 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | 69.1 | 158.4 | 157 | -69.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 50 | P | 26.5 | Very low | 25.4 | Very low | 109 Ų | 109 | 148.9 Ų | 148.9 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | trans | -129.2 | -169 | -156.7 | 37.1 | -16.4 | 0 | 0 | 0 | 114.5 | ||||
| 51 | R | 21.9 | Very low | 25.2 | Very low | 236 Ų | 236 | 145.8 Ų | 145.8 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | 79.6 | 117.1 | 171.2 | -51.2 | 173.4 | 172.9 | -164.4 | -2.4 | 116.4 | ||||
| 52 | R | 26.3 | Very low | 24.8 | Very low | 230 Ų | 230 | 148 Ų | 148 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | -154.8 | 124.1 | 101.9 | -170.4 | 160.7 | -76.2 | 165.1 | -3.6 | 111.5 | V54 | R52-V54 HydrophobicContact CG-CG2 4.3Š| |||
| 53 | Y | 21 | Very low | 24.6 | Very low | 231 Ų | 231 | 147.9 Ų | 147.9 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -79 | 129.6 | 164 | -106.2 | -108.4 | 0 | 0 | 0 | 108.7 | ||||
| 54 | V | 28.3 | Very low | 24.3 | Very low | 130 Ų | 130 | 148 Ų | 148 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | trans | -143 | 151.2 | 151.9 | -175.8 | 0 | 0 | 0 | 0 | 106.8 | R52 | R52-V54 HydrophobicContact CG-CG2 4.3Š| ||
| 55 | A | 24 | Very low | 24.3 | Very low | 84 Ų | 84 | 144.6 Ų | 144.6 | 69% | 0.694 | 81% | 0.806 | S | S | * | * | trans | -108.9 | 171.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 56 | K | 23.3 | Very low | 24.1 | Very low | 196 Ų | 196 | 144.2 Ų | 144.2 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | trans | 39.3 | 121.9 | 153.2 | -70.4 | -175.4 | 173 | -171.9 | 0 | 119.5 | ||||
| 57 | C | 25.2 | Very low | 24.2 | Very low | 131 Ų | 131 | 147.2 Ų | 147.2 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | -161.1 | 169.3 | 124.1 | 38.2 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 58 | D | 23 | Very low | 24.2 | Very low | 140 Ų | 140 | 148.8 Ų | 148.8 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | -116 | 160.3 | -162 | -69 | -85.2 | 0 | 0 | 0 | 113.7 | ||||
| 59 | F | 20.4 | Very low | 24.3 | Very low | 191 Ų | 191 | 148.9 Ų | 148.9 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | 81.9 | 150.5 | 143.4 | -110.7 | -112.7 | 0 | 0 | 0 | 123.3 | ||||
| 60 | T | 23.1 | Very low | 24.3 | Very low | 127 Ų | 127 | 149.9 Ų | 149.9 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | 80.9 | 126 | 159.3 | 8.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 61 | L | 24.1 | Very low | 24.3 | Very low | 160 Ų | 160 | 151.2 Ų | 151.2 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -72.8 | 162 | 163.5 | -58.9 | 99.4 | 0 | 0 | 0 | 110.9 | ||||
| 62 | P | 22.5 | Very low | 24.4 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | -145 | 162.8 | 89.8 | 39 | -24.4 | 0 | 0 | 0 | 115.3 | |||||
| 63 | S | 26.2 | Very low | 24.5 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -162.7 | 111.6 | 162.1 | -75.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 64 | S | 23.1 | Very low | 25 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -163.5 | 128.6 | 178.9 | 57.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 65 | G | 24.8 | Very low | 25.1 | Very low | 72 Ų | 72 | 134.9 Ų | 134.9 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | 76.6 | 161 | -171 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 66 | L | 24.8 | Very low | 25.2 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | cis | -159.4 | 126.2 | -2.2 | -115.8 | 163.6 | 0 | 0 | 0 | 107.4 | ||||
| 67 | E | 27 | Very low | 25.3 | Very low | 197 Ų | 197 | 136.1 Ų | 136.1 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | -138.6 | 149.8 | 162.6 | -76 | -162.3 | 138 | 0 | 0 | 109.6 | ||||
| 68 | Q | 26.4 | Very low | 25.2 | Very low | 151 Ų | 151 | 137 Ų | 137 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -130 | 156.6 | -160 | -81.9 | -176.3 | -106.1 | 0 | 0 | 113.4 | ||||
| 69 | D | 24.6 | Very low | 25.3 | Very low | 113 Ų | 113 | 139.5 Ų | 139.5 | 60% | 0.604 | 79% | 0.785 | S | S | * | * | trans | 58.6 | 97.4 | 144.5 | -56.5 | -25.3 | 0 | 0 | 0 | 120.5 | ||||
| 70 | I | 22.9 | Very low | 25.7 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | 47.6 | 112.1 | 111.4 | -55 | 155.8 | 0 | 0 | 0 | 116.6 | |||||
| 71 | T | 27.8 | Very low | 25.8 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | -169.9 | 118 | 115.1 | 17.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 72 | S | 23.9 | Very low | 26.2 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -149.8 | 126.4 | 153.6 | 63.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 73 | S | 29.3 | Very low | 26.4 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -161.1 | 89.4 | 171.3 | 51.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 74 | G | 30.5 | Very low | 26.3 | Very low | 88 Ų | 88 | 136 Ų | 136 | 91% | 0.907 | 78% | 0.78 | S | S | * | * | trans | -67.6 | 130.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 75 | K | 29.8 | Very low | 26.4 | Very low | 177 Ų | 177 | 136 Ų | 136 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -98 | 148 | -165.1 | -68.4 | 174.8 | 179.3 | 169.4 | 0 | 113.4 | ||||
| 76 | N | 26.7 | Very low | 26.5 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | 71.9 | 149.5 | 145.2 | -73.9 | -18.4 | 0 | 0 | 0 | 119.2 | ||||
| 77 | K | 25 | Very low | 26.6 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | cis | -170 | 179.7 | -27.1 | -138 | 177.3 | -167.1 | 171.9 | 0 | 109.7 | ||||
| 78 | I | 24.2 | Very low | 26.5 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | 78.2 | 82.3 | 161.8 | -59.4 | 146.4 | 0 | 0 | 0 | 115.9 | ||||
| 79 | K | 24.3 | Very low | 26.4 | Very low | 192 Ų | 192 | 135.6 Ų | 135.6 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | 1.6 | 134 | 127.9 | -54.9 | 177.8 | 176.5 | -173.4 | 0 | 117.2 | |||||
| 80 | I | 28.8 | Very low | 26.5 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | -117.1 | 143.5 | 129.3 | -65.3 | -179.5 | 0 | 0 | 0 | 106.6 | |||||
| 81 | A | 26.2 | Very low | 26.4 | Very low | 82 Ų | 82 | 135.1 Ų | 135.1 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | -109.1 | 148.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 82 | N | 32.4 | Very low | 26.3 | Very low | 169 Ų | 169 | 139.7 Ų | 139.7 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | trans | -138 | 128.6 | 151.7 | -88.8 | -33.6 | 0 | 0 | 0 | 106 | ||||
| 83 | G | 26.4 | Very low | 26.3 | Very low | 65 Ų | 65 | 137.1 Ų | 137.1 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | trans | -104.9 | 172.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 84 | D | 24.5 | Very low | 26.1 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | 39.8 | 117.6 | 141.9 | -48.1 | -32 | 0 | 0 | 0 | 118.6 | ||||
| 85 | S | 24.9 | Very low | 25.9 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | 173.3 | -177.7 | 83.7 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 86 | A | 27 | Very low | 25.7 | Very low | 76 Ų | 76 | 140.7 Ų | 140.7 | 63% | 0.628 | 76% | 0.756 | S | S | * | * | trans | 86.8 | 112.4 | 147.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 87 | I | 26.1 | Very low | 25.5 | Very low | 141 Ų | 141 | 140 Ų | 140 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | trans | 68.9 | 103.2 | 132 | -60.3 | 169.5 | 0 | 0 | 0 | 115.3 | ||||
| 88 | K | 24.3 | Very low | 25.5 | Very low | 188 Ų | 188 | 136.7 Ų | 136.7 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | 68.1 | 155.3 | 68.7 | -71.1 | -171.6 | 172.6 | -177.4 | 0 | 114.2 | |||||
| 89 | N | 25 | Very low | 25.7 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | 78.9 | 133.2 | -178.1 | -48.5 | -13.2 | 0 | 0 | 0 | 112.8 | ||||
| 90 | S | 26.2 | Very low | 25.6 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | cis | -143.9 | 145.1 | -11.3 | -164.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 91 | L | 20.3 | Very low | 25.5 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | trans | -66.7 | 138.4 | 152.7 | -99.9 | 66.9 | 0 | 0 | 0 | 107.9 | ||||
| 92 | Y | 27.2 | Very low | 25.7 | Very low | 232 Ų | 232 | 136.7 Ų | 136.7 | 91% | 0.91 | 76% | 0.761 | S | S | * | * | trans | -141 | 106.7 | 139.8 | -129.3 | -80.5 | 0 | 0 | 0 | 107.8 | ||||
| 93 | S | 23.2 | Very low | 25.4 | Very low | 68 Ų | 68 | 137.3 Ų | 137.3 | 48% | 0.476 | 76% | 0.759 | S | S | . | * | trans | -105.6 | -176.3 | 179.1 | 47.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 94 | E | 25.6 | Very low | 25.7 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | trans | 70.9 | 148.4 | 172.9 | -45.3 | -175.2 | 87.3 | 0 | 0 | 113.6 | ||||
| 95 | V | 25.9 | Very low | 25.7 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 67% | 0.673 | 77% | 0.766 | S | S | * | * | cis | -150.2 | 119.2 | 38.4 | 163.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 96 | K | 25.4 | Very low | 25.8 | Very low | 164 Ų | 164 | 139.3 Ų | 139.3 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | 56.3 | 162.1 | 135.5 | -52.4 | 172.5 | -160.8 | 168.3 | 0 | 122.5 | ||||
| 97 | S | 23.6 | Very low | 25.7 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | 64.3 | 149.7 | 168.1 | 38 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 98 | C | 24.5 | Very low | 26.1 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 72% | 0.716 | 77% | 0.772 | S | S | * | * | cis | -161.1 | 152.4 | -5 | 40.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 99 | D | 27.6 | Very low | 26.4 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | cis | -134 | 149.5 | 1.6 | -85.2 | -49 | 0 | 0 | 0 | 111.6 | ||||
| 100 | N | 22.3 | Very low | 26.4 | Very low | 172 Ų | 172 | 138 Ų | 138 | 92% | 0.92 | 77% | 0.766 | S | S | * | * | trans | -88.2 | 124.1 | 164.5 | -79.3 | -23.4 | 0 | 0 | 0 | 109.5 | ||||
| 101 | S | 26.6 | Very low | 26.6 | Very low | 100 Ų | 100 | 140.1 Ų | 140.1 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | trans | -150.3 | 140.4 | 159.4 | 71.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 102 | H | 31.6 | Very low | 27.3 | Very low | 173 Ų | 173 | 138.2 Ų | 138.2 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | cis | -120.8 | 135.3 | -1.9 | -99.5 | -86.2 | 0 | 0 | 0 | 111.5 | ||||
| 103 | E | 25.5 | Very low | 27.4 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | trans | -75.1 | 134.7 | 153.9 | -65.1 | -175.1 | 116 | 0 | 0 | 109.2 | ||||
| 104 | S | 32.6 | Very low | 27.8 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | -140.1 | 80.4 | 172.7 | -73.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 105 | N | 24.8 | Very low | 28 | Very low | 165 Ų | 165 | 140 Ų | 140 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | trans | -99.8 | 114.6 | 175.9 | -117.9 | -26 | 0 | 0 | 0 | 109.7 | ||||
| 106 | S | 26.1 | Very low | 28.1 | Very low | 105 Ų | 105 | 145.1 Ų | 145.1 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -140.6 | 95.5 | 166 | 67.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 107 | L | 25.2 | Very low | 28.4 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | 67.7 | 166.5 | 161.3 | -102.3 | 72.3 | 0 | 0 | 0 | 117.9 | ||||
| 108 | S | 34.9 | Very low | 28.3 | Very low | 99 Ų | 99 | 142.5 Ų | 142.5 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | 41.9 | 128.7 | 141.9 | -133.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 109 | T | 30.9 | Very low | 28.5 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | cis | -168.6 | 170.2 | -5.8 | 8.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 110 | N | 24.6 | Very low | 28.1 | Very low | 143 Ų | 143 | 142.8 Ų | 142.8 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | trans | -51.9 | 146 | 179.3 | -56.4 | -31.9 | 0 | 0 | 0 | 115.6 | ||||
| 111 | N | 31.3 | Very low | 28.1 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | 74.1 | 148.6 | 172.7 | -40.3 | -60.7 | 0 | 0 | 0 | 114.4 | ||||
| 112 | S | 34.3 | Very low | 27.7 | Very low | 105 Ų | 105 | 146.2 Ų | 146.2 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | cis | -169.6 | 170.3 | 38.4 | -52.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 113 | R | 29.4 | Very low | 27.4 | Very low | 222 Ų | 222 | 143.4 Ų | 143.4 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | 75.1 | 117.5 | 139.7 | -90.4 | -170.8 | 169.4 | 177.6 | -3.5 | 124.3 | ||||
| 114 | K | 31 | Very low | 27.1 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 60% | 0.604 | 77% | 0.768 | S | S | * | * | 58 | 125.1 | 111.5 | -80.3 | -175.1 | 168.7 | -88.6 | 0 | 123.7 | |||||
| 115 | E | 30 | Very low | 26.8 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | 69.2 | 132 | 120.3 | -67.9 | 166.2 | -166.8 | 0 | 0 | 125.1 | |||||
| 116 | R | 27.7 | Very low | 27 | Very low | 219 Ų | 219 | 136.6 Ų | 136.6 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | trans | 77.9 | 165.4 | 144.2 | -69.2 | 166 | 75 | 125.1 | 0.7 | 119.4 | ||||
| 117 | T | 31.6 | Very low | 27.1 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | 63.9 | 120.1 | -172.8 | 64.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 118 | A | 21.8 | Very low | 27.2 | Very low | 88 Ų | 88 | 135 Ų | 135 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | cis | 74.6 | 145.3 | 13.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 119 | S | 27.7 | Very low | 27.1 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | 67.3 | 129.6 | -166.6 | 74 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 120 | N | 19.1 | Very low | 26.8 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | 52.8 | 95.9 | 59 | -81.2 | -1.6 | 0 | 0 | 0 | 113.4 | |||||
| 121 | T | 23.5 | Very low | 26.9 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | trans | -165 | 113 | 135.7 | 12.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 122 | R | 18.4 | Very low | 26.7 | Very low | 224 Ų | 224 | 138.3 Ų | 138.3 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | 42.3 | 102.9 | 108.2 | -178.9 | -160.2 | -176.2 | -172.1 | 2.9 | 116.9 | |||||
| 123 | S | 24.1 | Very low | 26.3 | Very low | 113 Ų | 113 | 139 Ų | 139 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | 178.3 | 128.3 | 116.7 | -73.4 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 124 | G | 21 | Very low | 26.2 | Very low | 66 Ų | 66 | 134.6 Ų | 134.6 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | cis | 89.6 | 152.6 | 4.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 125 | S | 25.6 | Very low | 25.8 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | 69.7 | 149.3 | -162 | -113.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 126 | L | 29.6 | Very low | 25.5 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | cis | -128.5 | 137.8 | 19.6 | -67.5 | 159.9 | 0 | 0 | 0 | 112.8 | ||||
| 127 | I | 26.6 | Very low | 25.3 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | 61.8 | 130 | 127.4 | -61.9 | 175.1 | 0 | 0 | 0 | 117.4 | |||||
| 128 | S | 27.5 | Very low | 25.1 | Very low | 94 Ų | 94 | 129.1 Ų | 129.1 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | cis | -159.8 | -177.9 | 23.2 | -145.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 129 | T | 32.4 | Very low | 25.1 | Very low | 108 Ų | 108 | 132 Ų | 132 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | trans | 62.7 | 107 | 150.1 | 45.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 130 | N | 24.9 | Very low | 25 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | 50.3 | 135.9 | 99.5 | -64.1 | -6.8 | 0 | 0 | 0 | 119.4 | |||||
| 131 | S | 27.6 | Very low | 25.3 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 66% | 0.664 | 74% | 0.742 | S | S | * | * | cis | -172.3 | 172.3 | 1.4 | 53.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 132 | R | 27.2 | Very low | 25.5 | Very low | 231 Ų | 231 | 141.9 Ų | 141.9 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | trans | 74.5 | 153.6 | 161.2 | -69.1 | 178.2 | 166.1 | 166.1 | -3.8 | 118 | ||||
| 133 | T | 24.6 | Very low | 25.7 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | cis | -174.5 | 167.2 | -29.6 | -88.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 134 | V | 28.8 | Very low | 25.6 | Very low | 130 Ų | 130 | 137 Ų | 137 | 79% | 0.788 | 74% | 0.744 | S | S | * | * | trans | 80.7 | 105.1 | -179.5 | -168.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 135 | C | 22.2 | Very low | 25.7 | Very low | 113 Ų | 113 | 140 Ų | 140 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | cis | 74.8 | 125 | 31.8 | -149.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 136 | S | 23.6 | Very low | 25.6 | Very low | 73 Ų | 73 | 139 Ų | 139 | 51% | 0.51 | 74% | 0.742 | S | S | . | * | cis | -174.8 | 173.9 | -4.4 | 41.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 137 | Q | 24.3 | Very low | 25.2 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | trans | 55.8 | 125.2 | 160.4 | -66 | 126.5 | -15 | 0 | 0 | 117.6 | ||||
| 138 | L | 26.1 | Very low | 25 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 88% | 0.88 | 75% | 0.746 | S | S | * | * | -130.6 | 131.3 | 58.2 | -85.3 | 161.7 | 0 | 0 | 0 | 113.7 | |||||
| 139 | H | 22.1 | Very low | 24.8 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | trans | -90.9 | 145.7 | 158.2 | -67.8 | 13.1 | 0 | 0 | 0 | 109.2 | ||||
| 140 | R | 26.8 | Very low | 24.3 | Very low | 243 Ų | 243 | 143.8 Ų | 143.8 | 92% | 0.917 | 76% | 0.758 | S | S | * | * | -137.8 | 123.7 | 129.1 | -71 | -159.6 | -175.3 | -141.1 | -0.8 | 110.6 | |||||
| 141 | H | 24.5 | Very low | 24.2 | Very low | 127 Ų | 127 | 147 Ų | 147 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | trans | -45 | 152.3 | 165 | -68.1 | -115.9 | 0 | 0 | 0 | 112.9 | D143 | H141-D143 IonicContact CE1-OD2 3.46Å; H141-D143 IonicContact CG-OD2 2.6Å; H141-D143 IonicContact ND1-OD2 3.31Å; H141-D143 PolarHBondContact ND1-OD2 2.92Å | ||
| 142 | F | 27.7 | Very low | 23.9 | Very low | 219 Ų | 219 | 154.1 Ų | 154.1 | 96% | 0.961 | 77% | 0.771 | S | S | * | * | -142.2 | 136.3 | 104 | -107.1 | -74.4 | 0 | 0 | 0 | 110.5 | |||||
| 143 | D | 22.9 | Very low | 23.9 | Very low | 117 Ų | 117 | 149.4 Ų | 149.4 | 63% | 0.626 | 76% | 0.762 | S | S | * | * | trans | -81.6 | 157.7 | -170.9 | -73.7 | -89.7 | 0 | 0 | 0 | 113.7 | H141 V145 | H141-D143 IonicContact CE1-OD2 3.46Å; H141-D143 IonicContact CG-OD2 2.6Å; H141-D143 IonicContact ND1-OD2 3.31Å; H141-D143 PolarHBondContact ND1-OD2 2.92Å; D143-V145 PolarHBondContact O-N 2.95Å | ||
| 144 | S | 22.5 | Very low | 24.1 | Very low | 118 Ų | 118 | 150 Ų | 150 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | -67 | 124.2 | -178.5 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 145 | V | 22.6 | Very low | 24.1 | Very low | 129 Ų | 129 | 155.9 Ų | 155.9 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | trans | -125.6 | 111.1 | 164.3 | 179 | 0 | 0 | 0 | 0 | 110.2 | D143 | D143-V145 PolarHBondContact O-N 2.95Š| ||
| 146 | S | 22.2 | Very low | 24.6 | Very low | 89 Ų | 89 | 154.3 Ų | 154.3 | 62% | 0.622 | 77% | 0.772 | S | S | * | * | trans | 31.6 | 111.9 | 163.7 | 64.1 | 0 | 0 | 0 | 0 | 119.3 | V148 | S146-V148 PolarHBondContact O-N 2.73Š| ||
| 147 | T | 22.2 | Very low | 25.3 | Very low | 137 Ų | 137 | 159.4 Ų | 159.4 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | -55.2 | 106 | 144.4 | -54.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 148 | V | 22.2 | Very low | 26.4 | Very low | 121 Ų | 121 | 157 Ų | 157 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -86 | 128.3 | 157 | 177.5 | 0 | 0 | 0 | 0 | 107.2 | S146 | S146-V148 PolarHBondContact O-N 2.73Š|
| 149 | P | 24.3 | Very low | 27.5 | Very low | 104 Ų | 104 | 152.6 Ų | 152.6 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 139.8 | -168.6 | -24.3 | 34.7 | 0 | 0 | 0 | 114.2 | R151 | P149-R151 PolarHBondContact O-N 2.78Š|
| 150 | Y | 21.8 | Very low | 29.8 | Very low | 226 Ų | 226 | 148.3 Ų | 148.3 | 89% | 0.886 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -49 | 118.1 | 169.2 | -170.5 | -92.5 | 0 | 0 | 0 | 110.4 | R152 | Y150-R152 PolarHBondContact O-N 2.61Å; Y150-R152 VanDerWaalsContact O-N 3.15Å |
| 151 | R | 22.4 | Very low | 31.5 | Very low | 218 Ų | 218 | 141.3 Ų | 141.3 | 82% | 0.823 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -60 | 120.3 | -173.9 | -78.3 | -174.2 | 177.8 | 174.9 | 0 | 110.5 | P149 I153 | P149-R151 PolarHBondContact O-N 2.78Å; R151-I153 PolarHBondContact O-N 3.41Å |
| 152 | R | 21.9 | Very low | 33.9 | Very low | 244 Ų | 244 | 139.4 Ų | 139.4 | 92% | 0.921 | 72% | 0.718 | S | S | * | * | trans | -69.7 | 88.2 | 179.1 | -175.7 | -164.3 | -66 | -178.6 | -1.1 | 110.6 | Y150 | Y150-R152 PolarHBondContact O-N 2.61Å; Y150-R152 VanDerWaalsContact O-N 3.15Å | ||
| 153 | I | 26.4 | Very low | 36.3 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 68% | 0.677 | 69% | 0.69 | S | S | * | * | trans | -111.6 | 121.2 | 171.8 | -62.2 | -179.8 | 0 | 0 | 0 | 109.6 | R151 | R151-I153 PolarHBondContact O-N 3.41Š| ||
| 154 | N | 27.6 | Very low | 39 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | trans | 49.1 | 61.4 | 160.9 | -58.4 | -6.6 | 0 | 0 | 0 | 118.2 | ||||
| 155 | R | 28.8 | Very low | 41.6 | Very low | 252 Ų | 252 | 128.6 Ų | 128.6 | 95% | 0.951 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -67 | 122.4 | 137.5 | -73.7 | -175.9 | 176.8 | 179.3 | -1.7 | 107.4 | ||
| 156 | G | 34 | Very low | 44.2 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 84% | 0.835 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 129.7 | -11 | 164.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 157 | R | 38.4 | Very low | 47.1 | Very low | 180 Ų | 180 | 128.9 Ų | 128.9 | 68% | 0.679 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -100 | 125.9 | 171.3 | -158.7 | 177.6 | -166.2 | -106.3 | 4.1 | 110.1 | ||
| 158 | P | 47.8 | Very low | 49.9 | Very low | 110 Ų | 110 | 123.9 Ų | 123.9 | 71% | 0.714 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -57 | 142.4 | 166.5 | -23.1 | 34.1 | 0 | 0 | 0 | 110.4 | T160 | P158-T160 PolarHBondContact O-N 3.41Š|
| 159 | L | 47.9 | Very low | 52.8 | Low | 76 Ų | 76 | 124.8 Ų | 124.8 | 40% | 0.398 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -62.6 | 134.5 | 168.2 | -68.2 | 169.1 | 0 | 0 | 0 | 108.4 | E163 Y164 | L159-E163 HydrophobicContact CB-CB 4.41Å; L159-E163 HydrophobicContact CD2-CB 4.1Å; L159-Y164 HydrophobicContact CD1-CD2 4.29Å |
| 160 | T | 70 | Confident | 55.6 | Low | 59 Ų | 59 | 121.4 Ų | 121.4 | 36% | 0.362 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 155.9 | 167 | 60.6 | 0 | 0 | 0 | 0 | 109.9 | P158 S162 E163 Y164 | P158-T160 PolarHBondContact O-N 3.41Å; T160-S162 PolarHBondContact O-N 2.76Å; T160-S162 VanDerWaalsContact O-N 3.16Å; T160-E163 VanDerWaalsContact CB-OE2 3.31Å; T160-E163 WeakPolarHBondContact CB-OE2 2.98Å; T160-E163 WeakPolarHBondContact CG2-OE2 3.38Å; T160-E163 PolarHBondContact N-OE2 2.79Å; T160-E163 PolarHBondContact O-N 3.4Å; T160-E163 VanDerWaalsContact O-N 3.1Å; T160-E163 VanDerWaalsContact OG1-CG 3.27Å; T160-E163 WeakPolarHBondContact OG1-CG 2.99Å; T160-E163 PolarHBondContact OG1-N 2.85Å; T160-E163 PolarHBondContact OG1-OE2 2.95Å; T160-Y164 PolarHBondContact O-N 2.77Å |
| 161 | E | 64.3 | Low | 58.6 | Low | 97 Ų | 97 | 117 Ų | 117 | 45% | 0.453 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -56.4 | -33.6 | 177.8 | -161.6 | -162.2 | 150.1 | 0 | 0 | 111.8 | K165 L253 | E161-K165 HydrophobicContact CG-CD 4.28Å; E161-K165 VanDerWaalsContact O-CB 3.26Å; E161-K165 WeakPolarHBondContact O-CB 3.04Å; E161-K165 VanDerWaalsContact O-CG 3.26Å; E161-K165 WeakPolarHBondContact O-CG 2.93Å; E161-K165 PolarHBondContact O-N 3.16Å; E161-K165 WeakPolarHBondContact OE1-CE 3.26Å; E161-K165 IonicContact OE1-NZ 3.02Å; E161-K165 PolarHBondContact OE1-NZ 3.09Å; E161-L253 HydrophobicContact CG-CD2 3.99Å |
| 162 | S | 74.3 | Confident | 61.6 | Low | 87 Ų | 87 | 110 Ų | 110 | 61% | 0.608 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.7 | -50.7 | 173.9 | -171.9 | 0 | 0 | 0 | 0 | 112.5 | T160 Y164 K165 A166 | T160-S162 PolarHBondContact O-N 2.76Å; T160-S162 VanDerWaalsContact O-N 3.16Å; S162-Y164 VanDerWaalsContact C-N 3.28Å; S162-Y164 PolarHBondContact O-N 3.38Å; S162-K165 PolarHBondContact O-N 2.67Å; S162-A166 WeakPolarHBondContact O-CB 3.36Å; S162-A166 PolarHBondContact O-N 3.49Å |
| 163 | E | 77.8 | Confident | 64.8 | Low | 81 Ų | 81 | 103.1 Ų | 103.1 | 38% | 0.379 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.5 | -36.5 | 176.2 | -70.1 | 164 | 113.2 | 0 | 0 | 112.1 | L159 T160 R167 | L159-E163 HydrophobicContact CB-CB 4.41Å; L159-E163 HydrophobicContact CD2-CB 4.1Å; T160-E163 VanDerWaalsContact CB-OE2 3.31Å; T160-E163 WeakPolarHBondContact CB-OE2 2.98Å; T160-E163 WeakPolarHBondContact CG2-OE2 3.38Å; T160-E163 PolarHBondContact N-OE2 2.79Å; T160-E163 PolarHBondContact O-N 3.4Å; T160-E163 VanDerWaalsContact O-N 3.1Å; T160-E163 VanDerWaalsContact OG1-CG 3.27Å; T160-E163 WeakPolarHBondContact OG1-CG 2.99Å; T160-E163 PolarHBondContact OG1-N 2.85Å; T160-E163 PolarHBondContact OG1-OE2 2.95Å; E163-R167 VanDerWaalsContact O-CG 3.32Å; E163-R167 WeakPolarHBondContact O-CG 2.89Å; E163-R167 PolarHBondContact O-N 2.68Å; E163-R167 VanDerWaalsContact O-N 3.1Å |
| 164 | Y | 78.9 | Confident | 67.8 | Low | 76 Ų | 76 | 99.9 Ų | 99.9 | 30% | 0.298 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.3 | -50.3 | 174.9 | -172.8 | -84 | 0 | 0 | 0 | 111.4 | L159 T160 S162 A166 R167 Y168 V252 | L159-Y164 HydrophobicContact CD1-CD2 4.29Å; T160-Y164 PolarHBondContact O-N 2.77Å; S162-Y164 VanDerWaalsContact C-N 3.28Å; S162-Y164 PolarHBondContact O-N 3.38Å; Y164-A166 VanDerWaalsContact C-N 3.31Å; Y164-A166 PolarHBondContact O-N 3.18Å; Y164-R167 PolarHBondContact O-N 2.82Å; Y164-Y168 HydrophobicContact CE1-CD2 4.49Å; Y164-Y168 WeakPolarHBondContact O-CB 3.33Å; Y164-Y168 PolarHBondContact O-N 2.71Å; Y164-V252 HydrophobicContact CD1-CG1 4.43Å; Y164-V252 HydrophobicContact CE1-CG1 3.48Å; Y164-V252 VanDerWaalsContact CE1-CG1 3.48Å; Y164-V252 WeakPolarHBondContact OH-CG1 3.18Å |
| 165 | K | 77.7 | Confident | 70.7 | Confident | 70 Ų | 70 | 97 Ų | 97 | 30% | 0.304 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -55.2 | -45.3 | 175.5 | -82.4 | 168.7 | 163.7 | 169.8 | 0 | 111.4 | E161 S162 Y168 W169 M249 L253 | E161-K165 HydrophobicContact CG-CD 4.28Å; E161-K165 VanDerWaalsContact O-CB 3.26Å; E161-K165 WeakPolarHBondContact O-CB 3.04Å; E161-K165 VanDerWaalsContact O-CG 3.26Å; E161-K165 WeakPolarHBondContact O-CG 2.93Å; E161-K165 PolarHBondContact O-N 3.16Å; E161-K165 WeakPolarHBondContact OE1-CE 3.26Å; E161-K165 IonicContact OE1-NZ 3.02Å; E161-K165 PolarHBondContact OE1-NZ 3.09Å; S162-K165 PolarHBondContact O-N 2.67Å; K165-Y168 PolarHBondContact O-N 2.93Å; K165-W169 WeakPolarHBondContact O-CB 3.39Å; K165-W169 VanDerWaalsContact O-CD1 3.23Å; K165-W169 PolarHBondContact O-N 2.77Å; K165-M249 HydrophobicContact CG-CE 4.07Å; K165-M249 HydrophobicContact CG-SD 4.32Å; K165-L253 HydrophobicContact CG-CD2 4.48Å |
| 166 | A | 77.5 | Confident | 73.5 | Confident | 57 Ų | 57 | 89.6 Ų | 89.6 | 47% | 0.471 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S162 Y164 W169 G170 | S162-A166 WeakPolarHBondContact O-CB 3.36Å; S162-A166 PolarHBondContact O-N 3.49Å; Y164-A166 VanDerWaalsContact C-N 3.31Å; Y164-A166 PolarHBondContact O-N 3.18Å; A166-W169 PolarHBondContact O-N 3.4Å; A166-G170 PolarHBondContact O-N 3.32Å |
| 167 | R | 83.4 | Confident | 76.1 | Confident | 167 Ų | 167 | 91.6 Ų | 91.6 | 63% | 0.63 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.6 | -39 | 175.5 | -72.8 | 177 | -177.4 | -155.2 | 1.8 | 112.6 | E163 Y164 G170 Q171 | E163-R167 VanDerWaalsContact O-CG 3.32Å; E163-R167 WeakPolarHBondContact O-CG 2.89Å; E163-R167 PolarHBondContact O-N 2.68Å; E163-R167 VanDerWaalsContact O-N 3.1Å; Y164-R167 PolarHBondContact O-N 2.82Å; R167-G170 PolarHBondContact O-N 3.43Å; R167-Q171 WeakPolarHBondContact O-CB 3.38Å; R167-Q171 PolarHBondContact O-N 3.47Å |
| 168 | Y | 80.4 | Confident | 78.6 | Confident | 31 Ų | 31 | 89.3 Ų | 89.3 | 12% | 0.122 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 176 | 177.6 | -87.4 | 0 | 0 | 0 | 111.6 | Y164 K165 Q171 M172 I248 M249 | Y164-Y168 HydrophobicContact CE1-CD2 4.49Å; Y164-Y168 WeakPolarHBondContact O-CB 3.33Å; Y164-Y168 PolarHBondContact O-N 2.71Å; K165-Y168 PolarHBondContact O-N 2.93Å; Y168-Q171 PolarHBondContact O-N 2.63Å; Y168-M172 HydrophobicContact CD1-CE 4.05Å; Y168-M172 HydrophobicContact CD1-CG 4.25Å; Y168-M172 HydrophobicContact CD1-SD 4.21Å; Y168-M172 HydrophobicContact CE1-CE 3.54Å; Y168-M172 HydrophobicContact CE1-CG 3.74Å; Y168-M172 HydrophobicContact CE1-SD 3.28Å; Y168-M172 WeakPolarHBondContact CE1-SD 3.4Å; Y168-M172 WeakPolarHBondContact O-CG 2.99Å; Y168-M172 PolarHBondContact O-N 2.67Å; Y168-M172 PolarHBondContact OH-SD 3.41Å; Y168-I248 HydrophobicContact CE2-CG2 4.18Å; Y168-M249 HydrophobicContact CD1-CG 3.49Å; Y168-M249 VanDerWaalsContact CD1-CG 3.49Å; Y168-M249 HydrophobicContact CD1-SD 4.41Å; Y168-M249 HydrophobicContact CD2-CG 4.48Å; Y168-M249 HydrophobicContact CE1-CB 4Å; Y168-M249 HydrophobicContact CE1-CG 3.18Å; Y168-M249 HydrophobicContact CE2-CG 4.22Å; Y168-M249 HydrophobicContact CG-CG 4.15Å |
| 169 | W | 84 | Confident | 80.8 | Confident | 141 Ų | 141 | 87 Ų | 87 | 53% | 0.534 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 172.6 | -88 | 110.8 | 0 | 0 | 0 | 112.2 | K165 A166 Q171 M172 L173 | K165-W169 WeakPolarHBondContact O-CB 3.39Å; K165-W169 VanDerWaalsContact O-CD1 3.23Å; K165-W169 PolarHBondContact O-N 2.77Å; A166-W169 PolarHBondContact O-N 3.4Å; W169-Q171 VanDerWaalsContact C-N 3.32Å; W169-Q171 PolarHBondContact O-N 2.85Å; W169-M172 HydrophobicContact CD2-CE 3.9Å; W169-M172 HydrophobicContact CE3-CE 3.53Å; W169-M172 HydrophobicContact CH2-CE 4.26Å; W169-M172 HydrophobicContact CZ3-CE 3.74Å; W169-M172 PolarHBondContact O-N 3.24Å; W169-L173 WeakPolarHBondContact O-CG 2.92Å; W169-L173 PolarHBondContact O-N 2.65Å |
| 170 | G | 82.8 | Confident | 82.8 | Confident | 32 Ų | 32 | 86.6 Ų | 86.6 | 33% | 0.33 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -55.9 | -45.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A166 R167 L173 D174 | A166-G170 PolarHBondContact O-N 3.32Å; R167-G170 PolarHBondContact O-N 3.43Å; G170-L173 PolarHBondContact O-N 3.08Å; G170-D174 WeakPolarHBondContact O-CB 3.41Å; G170-D174 PolarHBondContact O-N 3.44Å |
| 171 | Q | 84.1 | Confident | 83.8 | Confident | 135 Ų | 135 | 87.9 Ų | 87.9 | 63% | 0.631 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.6 | -38.5 | 177.7 | -179.1 | 163 | 75 | 0 | 0 | 113.3 | R167 Y168 W169 T175 | R167-Q171 WeakPolarHBondContact O-CB 3.38Å; R167-Q171 PolarHBondContact O-N 3.47Å; Y168-Q171 PolarHBondContact O-N 2.63Å; W169-Q171 VanDerWaalsContact C-N 3.32Å; W169-Q171 PolarHBondContact O-N 2.85Å; Q171-T175 WeakPolarHBondContact O-CB 3.05Å; Q171-T175 PolarHBondContact O-N 2.73Å; Q171-T175 PolarHBondContact O-OG1 2.78Å |
| 172 | M | 85.5 | Confident | 85.2 | Confident | 70 Ų | 70 | 89.2 Ų | 89.2 | 35% | 0.345 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 173.6 | -72.5 | -160.8 | -54.6 | 0 | 0 | 111.8 | Y168 W169 T175 L176 | Y168-M172 HydrophobicContact CD1-CE 4.05Å; Y168-M172 HydrophobicContact CD1-CG 4.25Å; Y168-M172 HydrophobicContact CD1-SD 4.21Å; Y168-M172 HydrophobicContact CE1-CE 3.54Å; Y168-M172 HydrophobicContact CE1-CG 3.74Å; Y168-M172 HydrophobicContact CE1-SD 3.28Å; Y168-M172 WeakPolarHBondContact CE1-SD 3.4Å; Y168-M172 WeakPolarHBondContact O-CG 2.99Å; Y168-M172 PolarHBondContact O-N 2.67Å; Y168-M172 PolarHBondContact OH-SD 3.41Å; W169-M172 HydrophobicContact CD2-CE 3.9Å; W169-M172 HydrophobicContact CE3-CE 3.53Å; W169-M172 HydrophobicContact CH2-CE 4.26Å; W169-M172 HydrophobicContact CZ3-CE 3.74Å; W169-M172 PolarHBondContact O-N 3.24Å; M172-T175 PolarHBondContact O-N 2.71Å; M172-L176 WeakPolarHBondContact O-CB 3.21Å; M172-L176 PolarHBondContact O-N 2.69Å |
| 173 | L | 90.2 | Very high | 86 | Confident | 100 Ų | 100 | 88.5 Ų | 88.5 | 52% | 0.524 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70.9 | -38.5 | -179.5 | -66.2 | 171.7 | 0 | 0 | 0 | 112.5 | W169 G170 T175 R177 | W169-L173 WeakPolarHBondContact O-CG 2.92Å; W169-L173 PolarHBondContact O-N 2.65Å; G170-L173 PolarHBondContact O-N 3.08Å; L173-T175 VanDerWaalsContact C-N 3.33Å; L173-R177 WeakPolarHBondContact O-CB 3.36Å; L173-R177 PolarHBondContact O-N 2.67Å |
| 174 | D | 88.2 | Confident | 86.6 | Confident | 64 Ų | 64 | 92 Ų | 92 | 34% | 0.342 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.4 | -37.1 | 170.9 | -95.7 | -33.8 | 0 | 0 | 0 | 112.3 | G170 R177 R178 | G170-D174 WeakPolarHBondContact O-CB 3.41Å; G170-D174 PolarHBondContact O-N 3.44Å; D174-R177 IonicContact OD1-CZ 2.83Å; D174-R177 IonicContact OD1-NH1 3.64Å; D174-R177 PolarHBondContact OD1-NH1 2.79Å; D174-R177 IonicContact OD1-NH2 2.74Å; D174-R177 PolarHBondContact OD1-NH2 3.43Å; D174-R178 WeakPolarHBondContact O-CG 3.33Å; D174-R178 PolarHBondContact O-N 2.84Å; D174-R178 VanDerWaalsContact O-N 3.09Å |
| 175 | T | 88.2 | Confident | 87.2 | Confident | 72 Ų | 72 | 91.3 Ų | 91.3 | 44% | 0.442 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68.8 | -47.9 | 176.8 | -54.3 | 0 | 0 | 0 | 0 | 110.3 | Q171 M172 L173 R177 R178 T179 | Q171-T175 WeakPolarHBondContact O-CB 3.05Å; Q171-T175 PolarHBondContact O-N 2.73Å; Q171-T175 PolarHBondContact O-OG1 2.78Å; M172-T175 PolarHBondContact O-N 2.71Å; L173-T175 VanDerWaalsContact C-N 3.33Å; T175-R177 VanDerWaalsContact C-N 3.32Å; T175-R177 PolarHBondContact O-N 3.33Å; T175-R178 PolarHBondContact O-N 3.31Å; T175-T179 PolarHBondContact O-N 2.78Å; T175-T179 PolarHBondContact O-OG1 3.18Å; T175-T179 VanDerWaalsContact O-OG1 3.11Å |
| 176 | L | 89.5 | Confident | 87.7 | Confident | 95 Ų | 95 | 90.1 Ų | 90.1 | 50% | 0.497 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -57.4 | -44.5 | 176 | 177.3 | 61 | 0 | 0 | 0 | 111.7 | M172 T179 I180 | M172-L176 WeakPolarHBondContact O-CB 3.21Å; M172-L176 PolarHBondContact O-N 2.69Å; L176-T179 PolarHBondContact O-N 2.74Å; L176-I180 HydrophobicContact CD1-CD1 3.99Å; L176-I180 HydrophobicContact CD1-CG1 4.34Å; L176-I180 HydrophobicContact CG-CD1 3.98Å; L176-I180 WeakPolarHBondContact O-CG1 3.4Å; L176-I180 PolarHBondContact O-N 2.77Å |
| 177 | R | 88.4 | Confident | 88.3 | Confident | 123 Ų | 123 | 88.5 Ų | 88.5 | 46% | 0.464 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61 | -48.5 | 177 | -166.5 | -175.6 | 67.9 | -101.2 | -2.2 | 111.2 | L173 D174 T175 T179 I180 D181 | L173-R177 WeakPolarHBondContact O-CB 3.36Å; L173-R177 PolarHBondContact O-N 2.67Å; D174-R177 IonicContact OD1-CZ 2.83Å; D174-R177 IonicContact OD1-NH1 3.64Å; D174-R177 PolarHBondContact OD1-NH1 2.79Å; D174-R177 IonicContact OD1-NH2 2.74Å; D174-R177 PolarHBondContact OD1-NH2 3.43Å; T175-R177 VanDerWaalsContact C-N 3.32Å; T175-R177 PolarHBondContact O-N 3.33Å; R177-T179 VanDerWaalsContact C-N 3.33Å; R177-T179 PolarHBondContact O-N 2.74Å; R177-I180 CarbonylContact O-C 3.56Å; R177-I180 WeakPolarHBondContact O-CA 3.26Å; R177-I180 WeakPolarHBondContact O-CB 2.82Å; R177-I180 PolarHBondContact O-N 3.4Å; R177-D181 IonicContact NE-OD2 3.76Å; R177-D181 PolarHBondContact O-N 3.16Å |
| 178 | R | 90.3 | Very high | 88.5 | Confident | 133 Ų | 133 | 86.8 Ų | 86.8 | 50% | 0.502 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 176.7 | -73.2 | 177.9 | -170.7 | 140.9 | 8 | 113 | D174 T175 I180 D181 E182 | D174-R178 WeakPolarHBondContact O-CG 3.33Å; D174-R178 PolarHBondContact O-N 2.84Å; D174-R178 VanDerWaalsContact O-N 3.09Å; T175-R178 PolarHBondContact O-N 3.31Å; R178-I180 VanDerWaalsContact C-N 3.3Å; R178-I180 PolarHBondContact O-N 3.2Å; R178-D181 PolarHBondContact O-N 3.46Å; R178-E182 VanDerWaalsContact O-CB 3.31Å; R178-E182 WeakPolarHBondContact O-CB 3.14Å; R178-E182 WeakPolarHBondContact O-CG 3.44Å; R178-E182 PolarHBondContact O-N 2.75Å |
| 179 | T | 93.6 | Very high | 88.9 | Confident | 60 Ų | 60 | 90.2 Ų | 90.2 | 37% | 0.368 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.3 | -34 | 175.8 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | T175 L176 R177 I183 | T175-T179 PolarHBondContact O-N 2.78Å; T175-T179 PolarHBondContact O-OG1 3.18Å; T175-T179 VanDerWaalsContact O-OG1 3.11Å; L176-T179 PolarHBondContact O-N 2.74Å; R177-T179 VanDerWaalsContact C-N 3.33Å; R177-T179 PolarHBondContact O-N 2.74Å; T179-I183 HydrophobicContact CG2-CD1 3.96Å; T179-I183 WeakPolarHBondContact O-CB 3.48Å; T179-I183 WeakPolarHBondContact O-CD1 2.97Å; T179-I183 WeakPolarHBondContact O-CG1 3.01Å; T179-I183 PolarHBondContact O-N 3.36Å |
| 180 | I | 89.8 | Confident | 88.7 | Confident | 69 Ų | 69 | 89.1 Ų | 89.1 | 35% | 0.354 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.5 | -43.1 | 171.4 | -67.4 | 165.5 | 0 | 0 | 0 | 110.9 | L176 R177 R178 E182 I183 Y184 L203 | L176-I180 HydrophobicContact CD1-CD1 3.99Å; L176-I180 HydrophobicContact CD1-CG1 4.34Å; L176-I180 HydrophobicContact CG-CD1 3.98Å; L176-I180 WeakPolarHBondContact O-CG1 3.4Å; L176-I180 PolarHBondContact O-N 2.77Å; R177-I180 CarbonylContact O-C 3.56Å; R177-I180 WeakPolarHBondContact O-CA 3.26Å; R177-I180 WeakPolarHBondContact O-CB 2.82Å; R177-I180 PolarHBondContact O-N 3.4Å; R178-I180 VanDerWaalsContact C-N 3.3Å; R178-I180 PolarHBondContact O-N 3.2Å; I180-E182 VanDerWaalsContact C-N 3.31Å; I180-E182 PolarHBondContact O-N 2.7Å; I180-I183 PolarHBondContact O-N 2.97Å; I180-Y184 VanDerWaalsContact O-CB 3.28Å; I180-Y184 WeakPolarHBondContact O-CB 3.19Å; I180-Y184 PolarHBondContact O-N 2.68Å; I180-L203 HydrophobicContact CD1-CD2 4.49Å |
| 181 | D | 91.8 | Very high | 89 | Confident | 85 Ų | 85 | 96.3 Ų | 96.3 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 175.9 | -56.8 | -34.3 | 0 | 0 | 0 | 110.9 | R177 R178 S185 | R177-D181 IonicContact NE-OD2 3.76Å; R177-D181 PolarHBondContact O-N 3.16Å; R178-D181 PolarHBondContact O-N 3.46Å; D181-S185 WeakPolarHBondContact O-CB 3.34Å; D181-S185 PolarHBondContact O-N 3.21Å |
| 182 | E | 92.7 | Very high | 88.8 | Confident | 126 Ų | 126 | 93.2 Ų | 93.2 | 59% | 0.589 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -69.8 | -43.4 | 176.9 | -74.2 | 162.7 | -155.3 | 0 | 0 | 112.4 | R178 I180 S185 A186 | R178-E182 VanDerWaalsContact O-CB 3.31Å; R178-E182 WeakPolarHBondContact O-CB 3.14Å; R178-E182 WeakPolarHBondContact O-CG 3.44Å; R178-E182 PolarHBondContact O-N 2.75Å; I180-E182 VanDerWaalsContact C-N 3.31Å; I180-E182 PolarHBondContact O-N 2.7Å; E182-S185 PolarHBondContact O-N 3.18Å; E182-A186 PolarHBondContact O-N 2.79Å |
| 183 | I | 91.7 | Very high | 88.8 | Confident | 71 Ų | 71 | 96 Ų | 96 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 174.4 | -72.2 | 166 | 0 | 0 | 0 | 110.7 | T179 I180 S185 A186 C187 V199 | T179-I183 HydrophobicContact CG2-CD1 3.96Å; T179-I183 WeakPolarHBondContact O-CB 3.48Å; T179-I183 WeakPolarHBondContact O-CD1 2.97Å; T179-I183 WeakPolarHBondContact O-CG1 3.01Å; T179-I183 PolarHBondContact O-N 3.36Å; I180-I183 PolarHBondContact O-N 2.97Å; I183-S185 VanDerWaalsContact C-N 3.34Å; I183-S185 PolarHBondContact O-N 2.73Å; I183-A186 WeakPolarHBondContact O-CB 3.01Å; I183-A186 PolarHBondContact O-N 2.88Å; I183-C187 PolarHBondContact O-N 2.72Å; I183-C187 PolarHBondContact O-SG 3.28Å; I183-V199 HydrophobicContact CG2-CG1 4.21Å; I183-V199 HydrophobicContact CG2-CG2 3.77Å |
| 184 | Y | 91 | Very high | 88.7 | Confident | 154 Ų | 154 | 95 Ų | 95 | 60% | 0.604 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.3 | -46.5 | 175.1 | -176.9 | -79 | 0 | 0 | 0 | 110.8 | I180 A186 C187 E188 | I180-Y184 VanDerWaalsContact O-CB 3.28Å; I180-Y184 WeakPolarHBondContact O-CB 3.19Å; I180-Y184 PolarHBondContact O-N 2.68Å; Y184-A186 VanDerWaalsContact C-N 3.25Å; Y184-A186 PolarHBondContact O-N 2.74Å; Y184-C187 PolarHBondContact O-N 2.76Å; Y184-E188 HydrophobicContact CE1-CB 4.37Å; Y184-E188 WeakPolarHBondContact O-CB 3.44Å; Y184-E188 PolarHBondContact O-N 3.47Å |
| 185 | S | 89.9 | Confident | 88.8 | Confident | 62 Ų | 62 | 95.8 Ų | 95.8 | 43% | 0.434 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -29.3 | 177.1 | -173.8 | 0 | 0 | 0 | 0 | 113.2 | D181 E182 I183 T189 | D181-S185 WeakPolarHBondContact O-CB 3.34Å; D181-S185 PolarHBondContact O-N 3.21Å; E182-S185 PolarHBondContact O-N 3.18Å; I183-S185 VanDerWaalsContact C-N 3.34Å; I183-S185 PolarHBondContact O-N 2.73Å; S185-T189 WeakPolarHBondContact O-CB 3.27Å; S185-T189 PolarHBondContact O-N 3.36Å; S185-T189 PolarHBondContact O-OG1 2.78Å |
| 186 | A | 89.5 | Confident | 88.9 | Confident | 45 Ų | 45 | 94.6 Ų | 94.6 | 37% | 0.372 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.1 | -51 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E182 I183 Y184 E188 T189 D190 | E182-A186 PolarHBondContact O-N 2.79Å; I183-A186 WeakPolarHBondContact O-CB 3.01Å; I183-A186 PolarHBondContact O-N 2.88Å; Y184-A186 VanDerWaalsContact C-N 3.25Å; Y184-A186 PolarHBondContact O-N 2.74Å; A186-E188 VanDerWaalsContact C-N 3.25Å; A186-E188 PolarHBondContact O-N 3.23Å; A186-T189 WeakPolarHBondContact O-CA 3.24Å; A186-T189 WeakPolarHBondContact O-CB 3.46Å; A186-T189 PolarHBondContact O-N 3.15Å; A186-D190 PolarHBondContact O-N 2.76Å |
| 187 | C | 89.7 | Confident | 89 | Confident | 24 Ų | 24 | 95.2 Ų | 95.2 | 16% | 0.162 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -58.9 | -34.1 | 176 | -64.5 | 0 | 0 | 0 | 0 | 113.3 | I183 Y184 T189 E191 | I183-C187 PolarHBondContact O-N 2.72Å; I183-C187 PolarHBondContact O-SG 3.28Å; Y184-C187 PolarHBondContact O-N 2.76Å; C187-T189 VanDerWaalsContact C-N 3.35Å; C187-E191 PolarHBondContact O-N 3.32Å |
| 188 | E | 88.2 | Confident | 89.2 | Confident | 130 Ų | 130 | 94.7 Ų | 94.7 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -70.9 | -27.4 | 173.1 | -175.7 | 170.5 | -138.8 | 0 | 0 | 112.8 | Y184 A186 | Y184-E188 HydrophobicContact CE1-CB 4.37Å; Y184-E188 WeakPolarHBondContact O-CB 3.44Å; Y184-E188 PolarHBondContact O-N 3.47Å; A186-E188 VanDerWaalsContact C-N 3.25Å; A186-E188 PolarHBondContact O-N 3.23Å |
| 189 | T | 87.3 | Confident | 89.3 | Confident | 104 Ų | 104 | 90.6 Ų | 90.6 | 64% | 0.638 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -83 | -35.5 | 177.1 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | S185 A186 C187 | S185-T189 WeakPolarHBondContact O-CB 3.27Å; S185-T189 PolarHBondContact O-N 3.36Å; S185-T189 PolarHBondContact O-OG1 2.78Å; A186-T189 WeakPolarHBondContact O-CA 3.24Å; A186-T189 WeakPolarHBondContact O-CB 3.46Å; A186-T189 PolarHBondContact O-N 3.15Å; C187-T189 VanDerWaalsContact C-N 3.35Å |
| 190 | D | 80.6 | Confident | 89.2 | Confident | 117 Ų | 117 | 93 Ų | 93 | 63% | 0.626 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -89.5 | -7.2 | -176 | -64.4 | -31.2 | 0 | 0 | 0 | 113.4 | A186 N192 | A186-D190 PolarHBondContact O-N 2.76Å; D190-N192 PolarHBondContact O-N 2.98Å |
| 191 | E | 89.4 | Confident | 89.3 | Confident | 184 Ų | 184 | 95.7 Ų | 95.7 | 86% | 0.86 | 49% | 0.491 | S | S | * | . | trans | 52.8 | 17.3 | 179.2 | -62.6 | -167.2 | 155.5 | 0 | 0 | 116.1 | C187 | C187-E191 PolarHBondContact O-N 3.32Š| ||
| 192 | N | 78.6 | Confident | 89.2 | Confident | 70 Ų | 70 | 96.3 Ų | 96.3 | 37% | 0.374 | 49% | 0.494 | S | S | . | . | trans | -101.4 | 134.2 | -170.5 | -162.4 | 5.9 | 0 | 0 | 0 | 114.3 | D190 E195 C196 | D190-N192 PolarHBondContact O-N 2.98Å; N192-E195 WeakPolarHBondContact CB-OE2 3.17Å; N192-E195 PolarHBondContact ND2-OE1 3.23Å; N192-E195 PolarHBondContact ND2-OE2 3.43Å; N192-C196 PolarHBondContact O-SG 2.91Å | ||
| 193 | E | 86.9 | Confident | 89.2 | Confident | 127 Ų | 127 | 94.1 Ų | 94.1 | 59% | 0.593 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -84.3 | -17.9 | -172.9 | -154.1 | -155.8 | 160.2 | 0 | 0 | 113.1 | K197 | E193-K197 VanDerWaalsContact CD-CE 3.44Å; E193-K197 WeakPolarHBondContact O-CD 3.18Å; E193-K197 WeakPolarHBondContact O-CG 3.46Å; E193-K197 PolarHBondContact O-N 2.73Å; E193-K197 WeakPolarHBondContact OE1-CE 3.24Å; E193-K197 IonicContact OE1-NZ 2.61Å; E193-K197 PolarHBondContact OE1-NZ 2.75Å; E193-K197 IonicContact OE2-NZ 3.82Å; E193-K197 PolarHBondContact OE2-NZ 3.31Å |
| 194 | V | 87.8 | Confident | 89.2 | Confident | 79 Ų | 79 | 95.7 Ų | 95.7 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -76.2 | -48.1 | -172.8 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | C196 K197 E198 | V194-C196 VanDerWaalsContact C-N 3.27Å; V194-C196 PolarHBondContact O-N 2.94Å; V194-K197 WeakPolarHBondContact O-CA 3.23Å; V194-K197 WeakPolarHBondContact O-CB 3.14Å; V194-K197 PolarHBondContact O-N 3.21Å; V194-E198 PolarHBondContact O-N 2.89Å |
| 195 | E | 89.4 | Confident | 89.1 | Confident | 81 Ų | 81 | 93.9 Ų | 93.9 | 38% | 0.379 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -37.8 | 177 | -62.5 | 81.3 | 169.5 | 0 | 0 | 110 | N192 K197 E198 V199 | N192-E195 WeakPolarHBondContact CB-OE2 3.17Å; N192-E195 PolarHBondContact ND2-OE1 3.23Å; N192-E195 PolarHBondContact ND2-OE2 3.43Å; E195-K197 VanDerWaalsContact C-N 3.32Å; E195-K197 PolarHBondContact O-N 2.99Å; E195-E198 PolarHBondContact O-N 3.47Å; E195-V199 WeakPolarHBondContact O-CB 3.31Å; E195-V199 VanDerWaalsContact O-CG2 3.29Å; E195-V199 WeakPolarHBondContact O-CG2 3.39Å; E195-V199 PolarHBondContact O-N 3.45Å |
| 196 | C | 90.5 | Very high | 89 | Confident | 47 Ų | 47 | 92.7 Ų | 92.7 | 32% | 0.318 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -56.6 | -44.1 | 170.3 | -66.3 | 0 | 0 | 0 | 0 | 111.9 | N192 V194 I200 | N192-C196 PolarHBondContact O-SG 2.91Å; V194-C196 VanDerWaalsContact C-N 3.27Å; V194-C196 PolarHBondContact O-N 2.94Å; C196-I200 WeakPolarHBondContact O-CB 3.46Å; C196-I200 WeakPolarHBondContact O-CD1 3.37Å; C196-I200 WeakPolarHBondContact O-CG1 3.39Å; C196-I200 PolarHBondContact O-N 2.73Å |
| 197 | K | 92.8 | Very high | 89 | Confident | 108 Ų | 108 | 95.1 Ų | 95.1 | 47% | 0.47 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.4 | -39.7 | 177.8 | -70.7 | 161.9 | -177.1 | 163.2 | 0 | 112.1 | E193 V194 E195 I200 M201 | E193-K197 VanDerWaalsContact CD-CE 3.44Å; E193-K197 WeakPolarHBondContact O-CD 3.18Å; E193-K197 WeakPolarHBondContact O-CG 3.46Å; E193-K197 PolarHBondContact O-N 2.73Å; E193-K197 WeakPolarHBondContact OE1-CE 3.24Å; E193-K197 IonicContact OE1-NZ 2.61Å; E193-K197 PolarHBondContact OE1-NZ 2.75Å; E193-K197 IonicContact OE2-NZ 3.82Å; E193-K197 PolarHBondContact OE2-NZ 3.31Å; V194-K197 WeakPolarHBondContact O-CA 3.23Å; V194-K197 WeakPolarHBondContact O-CB 3.14Å; V194-K197 PolarHBondContact O-N 3.21Å; E195-K197 VanDerWaalsContact C-N 3.32Å; E195-K197 PolarHBondContact O-N 2.99Å; K197-I200 PolarHBondContact O-N 3.13Å; K197-M201 WeakPolarHBondContact O-CB 3.35Å; K197-M201 PolarHBondContact O-N 2.77Å |
| 198 | E | 90.9 | Very high | 88.9 | Confident | 112 Ų | 112 | 99.3 Ų | 99.3 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 175.4 | -68.7 | -167.8 | 172.7 | 0 | 0 | 112.1 | V194 E195 I200 M201 I202 | V194-E198 PolarHBondContact O-N 2.89Å; E195-E198 PolarHBondContact O-N 3.47Å; E198-I200 PolarHBondContact O-N 3.24Å; E198-M201 WeakPolarHBondContact O-CB 3.38Å; E198-M201 PolarHBondContact O-N 2.77Å; E198-I202 VanDerWaalsContact O-CG1 3.31Å; E198-I202 WeakPolarHBondContact O-CG1 3.2Å; E198-I202 PolarHBondContact O-N 3.45Å |
| 199 | V | 93 | Very high | 88.7 | Confident | 47 Ų | 47 | 94.6 Ų | 94.6 | 29% | 0.285 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 175.2 | 170.1 | 0 | 0 | 0 | 0 | 111 | I183 E195 I202 L203 | I183-V199 HydrophobicContact CG2-CG1 4.21Å; I183-V199 HydrophobicContact CG2-CG2 3.77Å; E195-V199 WeakPolarHBondContact O-CB 3.31Å; E195-V199 VanDerWaalsContact O-CG2 3.29Å; E195-V199 WeakPolarHBondContact O-CG2 3.39Å; E195-V199 PolarHBondContact O-N 3.45Å; V199-I202 PolarHBondContact O-N 3.25Å; V199-L203 HydrophobicContact CG1-CD1 3.85Å; V199-L203 HydrophobicContact CG1-CG 4.43Å; V199-L203 WeakPolarHBondContact O-CB 3.29Å; V199-L203 VanDerWaalsContact O-CG 3.28Å; V199-L203 WeakPolarHBondContact O-CG 3.35Å; V199-L203 PolarHBondContact O-N 3.4Å |
| 200 | I | 92.5 | Very high | 88.9 | Confident | 112 Ų | 112 | 95.8 Ų | 95.8 | 57% | 0.574 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60 | -46.1 | 174.7 | -71.7 | 164.4 | 0 | 0 | 0 | 111.1 | C196 K197 E198 I202 L203 E204 | C196-I200 WeakPolarHBondContact O-CB 3.46Å; C196-I200 WeakPolarHBondContact O-CD1 3.37Å; C196-I200 WeakPolarHBondContact O-CG1 3.39Å; C196-I200 PolarHBondContact O-N 2.73Å; K197-I200 PolarHBondContact O-N 3.13Å; E198-I200 PolarHBondContact O-N 3.24Å; I200-I202 PolarHBondContact O-N 2.79Å; I200-L203 PolarHBondContact O-N 3.44Å; I200-E204 WeakPolarHBondContact O-CB 3.35Å; I200-E204 PolarHBondContact O-N 2.8Å |
| 201 | M | 91.3 | Very high | 89.4 | Confident | 124 Ų | 124 | 95.7 Ų | 95.7 | 61% | 0.611 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.9 | -44.9 | 178.4 | -177.6 | -177.9 | 67.1 | 0 | 0 | 111.9 | K197 E198 H205 | K197-M201 WeakPolarHBondContact O-CB 3.35Å; K197-M201 PolarHBondContact O-N 2.77Å; E198-M201 WeakPolarHBondContact O-CB 3.38Å; E198-M201 PolarHBondContact O-N 2.77Å; M201-H205 VanDerWaalsContact O-CB 3.31Å; M201-H205 WeakPolarHBondContact O-CB 2.95Å; M201-H205 PolarHBondContact O-N 3.05Å |
| 202 | I | 90 | Very high | 89.4 | Confident | 98 Ų | 98 | 89.4 Ų | 89.4 | 50% | 0.503 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 179.3 | -68.3 | 165.4 | 0 | 0 | 0 | 111.3 | E198 V199 I200 S206 | E198-I202 VanDerWaalsContact O-CG1 3.31Å; E198-I202 WeakPolarHBondContact O-CG1 3.2Å; E198-I202 PolarHBondContact O-N 3.45Å; V199-I202 PolarHBondContact O-N 3.25Å; I200-I202 PolarHBondContact O-N 2.79Å; I202-S206 VanDerWaalsContact O-CB 3.27Å; I202-S206 WeakPolarHBondContact O-CB 3.22Å; I202-S206 PolarHBondContact O-N 3.06Å; I202-S206 PolarHBondContact O-OG 3.43Å |
| 203 | L | 92.3 | Very high | 89.8 | Confident | 80 Ų | 80 | 89.9 Ų | 89.9 | 42% | 0.419 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.9 | -44.5 | 178.6 | -72.2 | 172 | 0 | 0 | 0 | 112.2 | I180 V199 I200 S206 K207 | I180-L203 HydrophobicContact CD1-CD2 4.49Å; V199-L203 HydrophobicContact CG1-CD1 3.85Å; V199-L203 HydrophobicContact CG1-CG 4.43Å; V199-L203 WeakPolarHBondContact O-CB 3.29Å; V199-L203 VanDerWaalsContact O-CG 3.28Å; V199-L203 WeakPolarHBondContact O-CG 3.35Å; V199-L203 PolarHBondContact O-N 3.4Å; I200-L203 PolarHBondContact O-N 3.44Å; L203-S206 PolarHBondContact O-N 2.91Å; L203-K207 WeakPolarHBondContact O-CB 3.47Å; L203-K207 PolarHBondContact O-N 3.21Å |
| 204 | E | 92.2 | Very high | 89.8 | Confident | 105 Ų | 105 | 88.1 Ų | 88.1 | 49% | 0.491 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -69.2 | -37.6 | -179.5 | -169.7 | 64 | -162.3 | 0 | 0 | 111.7 | I200 K207 Q208 | I200-E204 WeakPolarHBondContact O-CB 3.35Å; I200-E204 PolarHBondContact O-N 2.8Å; E204-K207 WeakPolarHBondContact O-CB 3.32Å; E204-K207 PolarHBondContact O-N 3.27Å; E204-K207 IonicContact OE1-NZ 3.43Å; E204-K207 PolarHBondContact OE1-NZ 3.37Å; E204-K207 WeakPolarHBondContact OE2-CD 3.47Å; E204-K207 IonicContact OE2-NZ 2.7Å; E204-K207 PolarHBondContact OE2-NZ 3.46Å; E204-Q208 PolarHBondContact O-N 3.2Å; E204-Q208 VanDerWaalsContact O-N 3.15Å |
| 205 | H | 87.8 | Confident | 89.8 | Confident | 115 Ų | 115 | 90.8 Ų | 90.8 | 53% | 0.532 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62 | -49.9 | 169.7 | -179.1 | 52.1 | 0 | 0 | 0 | 111.4 | M201 K207 Q208 D209 | M201-H205 VanDerWaalsContact O-CB 3.31Å; M201-H205 WeakPolarHBondContact O-CB 2.95Å; M201-H205 PolarHBondContact O-N 3.05Å; H205-K207 VanDerWaalsContact C-N 3.25Å; H205-K207 PolarHBondContact O-N 2.92Å; H205-Q208 WeakPolarHBondContact O-CB 3.46Å; H205-Q208 PolarHBondContact O-N 3.11Å; H205-D209 IonicContact CD2-OD2 2.81Å; H205-D209 IonicContact CE1-OD2 2.61Å; H205-D209 PolarHBondContact CE1-OD2 3.36Å; H205-D209 IonicContact CG-OD2 3.74Å; H205-D209 IonicContact ND1-OD2 2.9Å; H205-D209 IonicContact NE2-OD2 3.8Å; H205-D209 PolarHBondContact NE2-OD2 3.37Å; H205-D209 PolarHBondContact O-N 2.88Å; H205-D209 VanDerWaalsContact O-OD2 3.12Å |
| 206 | S | 88 | Confident | 89.5 | Confident | 37 Ų | 37 | 88.9 Ų | 88.9 | 26% | 0.259 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.5 | -34.9 | 179.2 | -61.9 | 0 | 0 | 0 | 0 | 113.2 | I202 L203 D209 F210 | I202-S206 VanDerWaalsContact O-CB 3.27Å; I202-S206 WeakPolarHBondContact O-CB 3.22Å; I202-S206 PolarHBondContact O-N 3.06Å; I202-S206 PolarHBondContact O-OG 3.43Å; L203-S206 PolarHBondContact O-N 2.91Å; S206-D209 PolarHBondContact O-N 3.05Å; S206-F210 WeakPolarHBondContact O-CD2 3.03Å; S206-F210 PolarHBondContact O-N 3.12Å; S206-F210 VanDerWaalsContact O-N 3.13Å |
| 207 | K | 90.7 | Very high | 89.4 | Confident | 96 Ų | 96 | 91.9 Ų | 91.9 | 42% | 0.417 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 172.9 | 166.9 | -161.4 | 180 | -167.2 | 0 | 111.6 | L203 E204 H205 D209 F210 F211 | L203-K207 WeakPolarHBondContact O-CB 3.47Å; L203-K207 PolarHBondContact O-N 3.21Å; E204-K207 WeakPolarHBondContact O-CB 3.32Å; E204-K207 PolarHBondContact O-N 3.27Å; E204-K207 IonicContact OE1-NZ 3.43Å; E204-K207 PolarHBondContact OE1-NZ 3.37Å; E204-K207 WeakPolarHBondContact OE2-CD 3.47Å; E204-K207 IonicContact OE2-NZ 2.7Å; E204-K207 PolarHBondContact OE2-NZ 3.46Å; H205-K207 VanDerWaalsContact C-N 3.25Å; H205-K207 PolarHBondContact O-N 2.92Å; K207-D209 VanDerWaalsContact C-N 3.31Å; K207-D209 PolarHBondContact O-N 3.17Å; K207-F210 PolarHBondContact O-N 2.96Å; K207-F211 HydrophobicContact CG-CD2 4.23Å; K207-F211 HydrophobicContact CG-CE2 3.8Å; K207-F211 VanDerWaalsContact O-CD2 3.29Å; K207-F211 WeakPolarHBondContact O-CD2 3.24Å; K207-F211 PolarHBondContact O-N 3.44Å; K207-F211 VanDerWaalsContact O-N 3.13Å |
| 208 | Q | 86.8 | Confident | 89.2 | Confident | 113 Ų | 113 | 89.6 Ų | 89.6 | 53% | 0.528 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 175.6 | -175.9 | 58.7 | 27.2 | 0 | 0 | 111.7 | E204 H205 F210 F211 S212 | E204-Q208 PolarHBondContact O-N 3.2Å; E204-Q208 VanDerWaalsContact O-N 3.15Å; H205-Q208 WeakPolarHBondContact O-CB 3.46Å; H205-Q208 PolarHBondContact O-N 3.11Å; Q208-F210 VanDerWaalsContact C-N 3.32Å; Q208-F210 PolarHBondContact O-N 2.86Å; Q208-F211 WeakPolarHBondContact O-CB 3.16Å; Q208-F211 PolarHBondContact O-N 3.09Å; Q208-F211 VanDerWaalsContact O-N 3.11Å; Q208-S212 PolarHBondContact O-N 3.38Å; Q208-S212 PolarHBondContact O-OG 2.76Å |
| 209 | D | 84.8 | Confident | 88.8 | Confident | 31 Ų | 31 | 87.6 Ų | 87.6 | 17% | 0.166 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -62.8 | -34.2 | 175.7 | -76.4 | -76 | 0 | 0 | 0 | 113.9 | H205 S206 K207 L213 R240 | H205-D209 IonicContact CD2-OD2 2.81Å; H205-D209 IonicContact CE1-OD2 2.61Å; H205-D209 PolarHBondContact CE1-OD2 3.36Å; H205-D209 IonicContact CG-OD2 3.74Å; H205-D209 IonicContact ND1-OD2 2.9Å; H205-D209 IonicContact NE2-OD2 3.8Å; H205-D209 PolarHBondContact NE2-OD2 3.37Å; H205-D209 PolarHBondContact O-N 2.88Å; H205-D209 VanDerWaalsContact O-OD2 3.12Å; S206-D209 PolarHBondContact O-N 3.05Å; K207-D209 VanDerWaalsContact C-N 3.31Å; K207-D209 PolarHBondContact O-N 3.17Å; D209-L213 WeakPolarHBondContact O-CB 3.18Å; D209-L213 PolarHBondContact O-N 2.98Å; D209-R240 VanDerWaalsContact OD1-CD 3.29Å; D209-R240 WeakPolarHBondContact OD1-CD 3.39Å; D209-R240 IonicContact OD1-CZ 3.78Å; D209-R240 IonicContact OD1-NE 3.48Å; D209-R240 PolarHBondContact OD1-NE 3.45Å; D209-R240 IonicContact OD1-NH2 2.75Å; D209-R240 IonicContact OD2-CZ 3.2Å; D209-R240 VanDerWaalsContact OD2-CZ 3.27Å; D209-R240 IonicContact OD2-NE 2.74Å; D209-R240 PolarHBondContact OD2-NE 2.76Å; D209-R240 IonicContact OD2-NH2 2.76Å; D209-R240 PolarHBondContact OD2-NH2 2.85Å |
| 210 | F | 90.2 | Very high | 88.3 | Confident | 128 Ų | 128 | 88.6 Ų | 88.6 | 56% | 0.561 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -69.8 | -33.7 | 172.5 | -78 | -62.7 | 0 | 0 | 0 | 112.2 | S206 K207 Q208 L213 I214 | S206-F210 WeakPolarHBondContact O-CD2 3.03Å; S206-F210 PolarHBondContact O-N 3.12Å; S206-F210 VanDerWaalsContact O-N 3.13Å; K207-F210 PolarHBondContact O-N 2.96Å; Q208-F210 VanDerWaalsContact C-N 3.32Å; Q208-F210 PolarHBondContact O-N 2.86Å; F210-L213 HydrophobicContact CD1-CD2 4.36Å; F210-L213 PolarHBondContact O-N 3.46Å; F210-I214 WeakPolarHBondContact O-CD1 3.17Å; F210-I214 VanDerWaalsContact O-CG1 3.27Å; F210-I214 WeakPolarHBondContact O-CG1 3.25Å; F210-I214 PolarHBondContact O-N 2.98Å |
| 211 | F | 92.2 | Very high | 88 | Confident | 115 Ų | 115 | 87.8 Ų | 87.8 | 50% | 0.504 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.2 | -48.3 | 170.8 | -74.6 | -62.2 | 0 | 0 | 0 | 111.8 | K207 Q208 L213 I214 E215 | K207-F211 HydrophobicContact CG-CD2 4.23Å; K207-F211 HydrophobicContact CG-CE2 3.8Å; K207-F211 VanDerWaalsContact O-CD2 3.29Å; K207-F211 WeakPolarHBondContact O-CD2 3.24Å; K207-F211 PolarHBondContact O-N 3.44Å; K207-F211 VanDerWaalsContact O-N 3.13Å; Q208-F211 WeakPolarHBondContact O-CB 3.16Å; Q208-F211 PolarHBondContact O-N 3.09Å; Q208-F211 VanDerWaalsContact O-N 3.11Å; F211-L213 VanDerWaalsContact C-N 3.26Å; F211-L213 PolarHBondContact O-N 3.08Å; F211-I214 WeakPolarHBondContact O-CB 3.27Å; F211-I214 PolarHBondContact O-N 3.27Å; F211-E215 PolarHBondContact O-N 3.02Å |
| 212 | S | 87.6 | Confident | 87.5 | Confident | 52 Ų | 52 | 86.2 Ų | 86.2 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.8 | -32 | 176.1 | -60.7 | 0 | 0 | 0 | 0 | 112.9 | Q208 K216 | Q208-S212 PolarHBondContact O-N 3.38Å; Q208-S212 PolarHBondContact O-OG 2.76Å; S212-K216 WeakPolarHBondContact O-CB 3.31Å; S212-K216 PolarHBondContact O-N 3Å |
| 213 | L | 88.1 | Confident | 87 | Confident | 80 Ų | 80 | 84.6 Ų | 84.6 | 42% | 0.419 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.2 | -40.2 | 171.7 | -179 | 60.4 | 0 | 0 | 0 | 112.5 | D209 F210 F211 K216 M217 | D209-L213 WeakPolarHBondContact O-CB 3.18Å; D209-L213 PolarHBondContact O-N 2.98Å; F210-L213 HydrophobicContact CD1-CD2 4.36Å; F210-L213 PolarHBondContact O-N 3.46Å; F211-L213 VanDerWaalsContact C-N 3.26Å; F211-L213 PolarHBondContact O-N 3.08Å; L213-K216 PolarHBondContact O-N 3.32Å; L213-M217 HydrophobicContact CD1-CG 4.49Å; L213-M217 HydrophobicContact CG-SD 4.3Å; L213-M217 WeakPolarHBondContact O-CB 3.25Å; L213-M217 VanDerWaalsContact O-CG 3.28Å; L213-M217 WeakPolarHBondContact O-CG 3.31Å; L213-M217 PolarHBondContact O-N 2.97Å |
| 214 | I | 87.5 | Confident | 86.4 | Confident | 91 Ų | 91 | 86.6 Ų | 86.6 | 47% | 0.467 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 175.6 | -70.6 | 162.6 | 0 | 0 | 0 | 110.6 | F210 F211 M217 N218 | F210-I214 WeakPolarHBondContact O-CD1 3.17Å; F210-I214 VanDerWaalsContact O-CG1 3.27Å; F210-I214 WeakPolarHBondContact O-CG1 3.25Å; F210-I214 PolarHBondContact O-N 2.98Å; F211-I214 WeakPolarHBondContact O-CB 3.27Å; F211-I214 PolarHBondContact O-N 3.27Å; I214-M217 CarbonylContact O-C 3.59Å; I214-M217 PolarHBondContact O-N 3.41Å; I214-N218 VanDerWaalsContact O-CG 3.31Å; I214-N218 PolarHBondContact O-N 3.46Å; I214-N218 PolarHBondContact O-ND2 3.46Å |
| 215 | E | 86.4 | Confident | 85.9 | Confident | 134 Ų | 134 | 88.4 Ų | 88.4 | 63% | 0.626 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -58.6 | -52.3 | 173.9 | -176.6 | 172.6 | -149.8 | 0 | 0 | 111.4 | F211 M217 N218 L219 | F211-E215 PolarHBondContact O-N 3.02Å; E215-M217 VanDerWaalsContact C-N 3.27Å; E215-M217 PolarHBondContact O-N 2.87Å; E215-N218 PolarHBondContact O-N 2.99Å; E215-L219 WeakPolarHBondContact O-CB 3.27Å; E215-L219 PolarHBondContact O-N 3.27Å |
| 216 | K | 84.7 | Confident | 85.3 | Confident | 42 Ų | 42 | 84.1 Ų | 84.1 | 18% | 0.183 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -54.5 | -39.8 | 172.6 | 175.4 | 176.9 | 173.4 | 171.2 | 0 | 112.7 | S212 L213 L220 W237 E239 | S212-K216 WeakPolarHBondContact O-CB 3.31Å; S212-K216 PolarHBondContact O-N 3Å; L213-K216 PolarHBondContact O-N 3.32Å; K216-L220 WeakPolarHBondContact O-CB 3.34Å; K216-L220 PolarHBondContact O-N 3.32Å; K216-W237 HydrophobicContact CD-CB 4.02Å; K216-W237 HydrophobicContact CD-CD2 4.19Å; K216-W237 HydrophobicContact CD-CG 3.67Å; K216-W237 VanDerWaalsContact CE-NE1 3.3Å; K216-W237 HydrophobicContact CG-CB 4.15Å; K216-W237 HydrophobicContact CG-CD2 4.2Å; K216-W237 HydrophobicContact CG-CG 3.99Å; K216-W237 VanDerWaalsContact NZ-NE1 3.12Å; K216-E239 IonicContact NZ-OE1 2.97Å; K216-E239 PolarHBondContact NZ-OE1 2.74Å |
| 217 | M | 88 | Confident | 84.3 | Confident | 109 Ų | 109 | 87.9 Ų | 87.9 | 54% | 0.537 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -72.8 | -22.8 | 177.8 | -77.1 | 179.6 | 61.9 | 0 | 0 | 114.2 | L213 I214 E215 R221 | L213-M217 HydrophobicContact CD1-CG 4.49Å; L213-M217 HydrophobicContact CG-SD 4.3Å; L213-M217 WeakPolarHBondContact O-CB 3.25Å; L213-M217 VanDerWaalsContact O-CG 3.28Å; L213-M217 WeakPolarHBondContact O-CG 3.31Å; L213-M217 PolarHBondContact O-N 2.97Å; I214-M217 CarbonylContact O-C 3.59Å; I214-M217 PolarHBondContact O-N 3.41Å; E215-M217 VanDerWaalsContact C-N 3.27Å; E215-M217 PolarHBondContact O-N 2.87Å; M217-R221 PolarHBondContact O-NH2 2.93Å |
| 218 | N | 87.4 | Confident | 83.2 | Confident | 60 Ų | 60 | 87.8 Ų | 87.8 | 32% | 0.321 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -81.4 | -52.4 | 171.1 | -67.5 | -24.9 | 0 | 0 | 0 | 109.7 | I214 E215 L220 R221 D222 | I214-N218 VanDerWaalsContact O-CG 3.31Å; I214-N218 PolarHBondContact O-N 3.46Å; I214-N218 PolarHBondContact O-ND2 3.46Å; E215-N218 PolarHBondContact O-N 2.99Å; N218-L220 VanDerWaalsContact C-N 3.26Å; N218-L220 PolarHBondContact O-N 3.23Å; N218-L220 VanDerWaalsContact O-N 3.16Å; N218-R221 CarbonylContact O-C 3.59Å; N218-R221 WeakPolarHBondContact O-CA 3.07Å; N218-R221 WeakPolarHBondContact O-CB 3.11Å; N218-R221 PolarHBondContact O-N 3.12Å; N218-R221 VanDerWaalsContact OD1-CZ 3.27Å; N218-R221 PolarHBondContact OD1-NH1 3.29Å; N218-R221 PolarHBondContact OD1-NH2 3.04Å; N218-D222 PolarHBondContact O-N 2.87Å |
| 219 | L | 82.6 | Confident | 82.4 | Confident | 70 Ų | 70 | 91.3 Ų | 91.3 | 37% | 0.366 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -49.9 | -43.8 | 177.3 | -173.7 | 71.3 | 0 | 0 | 0 | 112.8 | E215 Y223 L235 | E215-L219 WeakPolarHBondContact O-CB 3.27Å; E215-L219 PolarHBondContact O-N 3.27Å; L219-Y223 VanDerWaalsContact O-CB 3.27Å; L219-Y223 WeakPolarHBondContact O-CB 3.31Å; L219-Y223 PolarHBondContact O-N 3.23Å; L219-L235 HydrophobicContact CD1-CD1 4.04Å; L219-L235 HydrophobicContact CD2-CD1 4.18Å; L219-L235 HydrophobicContact CD2-CD2 4.31Å; L219-L235 HydrophobicContact CD2-CG 4.03Å; L219-L235 HydrophobicContact CG-CD1 3.9Å; L219-L235 HydrophobicContact CG-CD2 3.95Å; L219-L235 HydrophobicContact CG-CG 4.03Å |
| 220 | L | 83.5 | Confident | 81.6 | Confident | 68 Ų | 68 | 95.9 Ų | 95.9 | 36% | 0.356 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.1 | -36.5 | 175.9 | -177.3 | 62.8 | 0 | 0 | 0 | 113 | K216 N218 Y223 E224 L235 | K216-L220 WeakPolarHBondContact O-CB 3.34Å; K216-L220 PolarHBondContact O-N 3.32Å; N218-L220 VanDerWaalsContact C-N 3.26Å; N218-L220 PolarHBondContact O-N 3.23Å; N218-L220 VanDerWaalsContact O-N 3.16Å; L220-Y223 PolarHBondContact O-N 3.34Å; L220-E224 WeakPolarHBondContact O-CG 3.16Å; L220-E224 PolarHBondContact O-N 2.87Å; L220-L235 HydrophobicContact CD1-CD2 4.49Å |
| 221 | R | 85.1 | Confident | 80.8 | Confident | 96 Ų | 96 | 94.3 Ų | 94.3 | 36% | 0.362 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.8 | -41 | 178.5 | -166.7 | -169.1 | -44.5 | 113 | 16.2 | 111.4 | M217 N218 Y223 E224 Q225 | M217-R221 PolarHBondContact O-NH2 2.93Å; N218-R221 CarbonylContact O-C 3.59Å; N218-R221 WeakPolarHBondContact O-CA 3.07Å; N218-R221 WeakPolarHBondContact O-CB 3.11Å; N218-R221 PolarHBondContact O-N 3.12Å; N218-R221 VanDerWaalsContact OD1-CZ 3.27Å; N218-R221 PolarHBondContact OD1-NH1 3.29Å; N218-R221 PolarHBondContact OD1-NH2 3.04Å; R221-Y223 VanDerWaalsContact C-N 3.29Å; R221-Y223 PolarHBondContact O-N 2.77Å; R221-E224 CarbonylContact O-C 3.59Å; R221-E224 PolarHBondContact O-N 2.79Å; R221-E224 VanDerWaalsContact O-N 3.11Å; R221-Q225 WeakPolarHBondContact O-CB 3.11Å; R221-Q225 VanDerWaalsContact O-CG 3.32Å; R221-Q225 WeakPolarHBondContact O-CG 3.23Å; R221-Q225 PolarHBondContact O-N 3.49Å |
| 222 | D | 81.9 | Confident | 79.4 | Confident | 90 Ų | 90 | 92 Ų | 92 | 48% | 0.481 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 175.8 | -54.8 | -24.5 | 0 | 0 | 0 | 109.6 | N218 E224 Q225 A226 | N218-D222 PolarHBondContact O-N 2.87Å; D222-E224 PolarHBondContact O-N 3.26Å; D222-Q225 PolarHBondContact O-N 3.36Å; D222-A226 WeakPolarHBondContact O-CB 3.26Å; D222-A226 PolarHBondContact O-N 2.76Å |
| 223 | Y | 79.7 | Confident | 78.5 | Confident | 64 Ų | 64 | 97.7 Ų | 97.7 | 25% | 0.251 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -32.9 | 170.6 | 179.9 | -95.8 | 0 | 0 | 0 | 113.8 | L219 L220 R221 R231 P232 L235 | L219-Y223 VanDerWaalsContact O-CB 3.27Å; L219-Y223 WeakPolarHBondContact O-CB 3.31Å; L219-Y223 PolarHBondContact O-N 3.23Å; L220-Y223 PolarHBondContact O-N 3.34Å; R221-Y223 VanDerWaalsContact C-N 3.29Å; R221-Y223 PolarHBondContact O-N 2.77Å; Y223-R231 VanDerWaalsContact CD1-NH2 3.28Å; Y223-R231 HydrophobicContact CD2-CG 3.91Å; Y223-R231 VanDerWaalsContact CE1-NE 3.3Å; Y223-R231 HydrophobicContact CE2-CG 3.7Å; Y223-R231 VanDerWaalsContact CZ-NE 3.35Å; Y223-R231 PolarHBondContact O-NE 3.46Å; Y223-R231 PolarHBondContact O-NH2 3.48Å; Y223-P232 WeakPolarHBondContact CE2-O 3.34Å; Y223-L235 HydrophobicContact CD1-CD2 4.26Å; Y223-L235 HydrophobicContact CD2-CB 4.29Å; Y223-L235 HydrophobicContact CD2-CD1 4.05Å; Y223-L235 HydrophobicContact CD2-CD2 4.06Å; Y223-L235 HydrophobicContact CD2-CG 4.38Å; Y223-L235 HydrophobicContact CE2-CB 4.42Å; Y223-L235 HydrophobicContact CG-CD1 4.48Å; Y223-L235 HydrophobicContact CG-CD2 3.72Å |
| 224 | E | 79.9 | Confident | 77.6 | Confident | 123 Ų | 123 | 98.6 Ų | 98.6 | 58% | 0.575 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -76.6 | -28.6 | 174.2 | -78 | 177.1 | 172.4 | 0 | 0 | 113.5 | L220 R221 D222 | L220-E224 WeakPolarHBondContact O-CG 3.16Å; L220-E224 PolarHBondContact O-N 2.87Å; R221-E224 CarbonylContact O-C 3.59Å; R221-E224 PolarHBondContact O-N 2.79Å; R221-E224 VanDerWaalsContact O-N 3.11Å; D222-E224 PolarHBondContact O-N 3.26Å |
| 225 | Q | 81.1 | Confident | 76.6 | Confident | 143 Ų | 143 | 96.6 Ų | 96.6 | 67% | 0.668 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -92.9 | -16.4 | -179 | -69.4 | 179.1 | -0.5 | 0 | 0 | 113.8 | R221 D222 D227 | R221-Q225 WeakPolarHBondContact O-CB 3.11Å; R221-Q225 VanDerWaalsContact O-CG 3.32Å; R221-Q225 WeakPolarHBondContact O-CG 3.23Å; R221-Q225 PolarHBondContact O-N 3.49Å; D222-Q225 PolarHBondContact O-N 3.36Å; Q225-D227 PolarHBondContact O-N 3.28Å |
| 226 | A | 75.4 | Confident | 75.7 | Confident | 25 Ų | 25 | 94.3 Ų | 94.3 | 21% | 0.207 | 51% | 0.505 | C | S | . | . | S | Bend | trans | -65.5 | 125.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D222 R231 | D222-A226 WeakPolarHBondContact O-CB 3.26Å; D222-A226 PolarHBondContact O-N 2.76Å; A226-R231 HydrophobicContact CB-CB 4.06Å; A226-R231 HydrophobicContact CB-CG 4.38Å |
| 227 | D | 67.3 | Low | 74.9 | Confident | 116 Ų | 116 | 97.7 Ų | 97.7 | 62% | 0.62 | 52% | 0.517 | S | S | * | . | trans | -51.5 | 152.9 | 171.3 | -69.1 | -57.8 | 0 | 0 | 0 | 111.7 | Q225 H229 N230 R231 | Q225-D227 PolarHBondContact O-N 3.28Å; D227-H229 PolarHBondContact O-N 2.77Å; D227-N230 PolarHBondContact O-N 3.45Å; D227-R231 PolarHBondContact O-N 2.77Å | ||
| 228 | A | 66.5 | Low | 73.8 | Confident | 94 Ų | 94 | 100.1 Ų | 100.1 | 78% | 0.777 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -16.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 229 | H | 70 | Confident | 72.8 | Confident | 187 Ų | 187 | 104.2 Ų | 104.2 | 87% | 0.866 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -20.6 | 174.9 | -57 | -55 | 0 | 0 | 0 | 114.3 | D227 | D227-H229 PolarHBondContact O-N 2.77Š|
| 230 | N | 68.2 | Low | 71.8 | Confident | 126 Ų | 126 | 107.8 Ų | 107.8 | 67% | 0.674 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | -10.1 | 179.4 | -79 | -16.6 | 0 | 0 | 0 | 113.2 | D227 P232 | D227-N230 PolarHBondContact O-N 3.45Å; N230-P232 WeakPolarHBondContact O-CD 3.28Å |
| 231 | R | 73.1 | Confident | 70.7 | Confident | 95 Ų | 95 | 111.1 Ų | 111.1 | 36% | 0.358 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -68.5 | 121.2 | -179.5 | -166.1 | 173.7 | -164.4 | 142.3 | 7.6 | 110.9 | Y223 A226 D227 | Y223-R231 VanDerWaalsContact CD1-NH2 3.28Å; Y223-R231 HydrophobicContact CD2-CG 3.91Å; Y223-R231 VanDerWaalsContact CE1-NE 3.3Å; Y223-R231 HydrophobicContact CE2-CG 3.7Å; Y223-R231 VanDerWaalsContact CZ-NE 3.35Å; Y223-R231 PolarHBondContact O-NE 3.46Å; Y223-R231 PolarHBondContact O-NH2 3.48Å; A226-R231 HydrophobicContact CB-CB 4.06Å; A226-R231 HydrophobicContact CB-CG 4.38Å; D227-R231 PolarHBondContact O-N 2.77Å |
| 232 | P | 63.8 | Low | 69.3 | Low | 68 Ų | 68 | 112.4 Ų | 112.4 | 44% | 0.442 | 59% | 0.594 | S | S | . | * | trans | -58.6 | 145.9 | 178.6 | -25.9 | 34.7 | 0 | 0 | 0 | 112.9 | Y223 N230 S234 | Y223-P232 WeakPolarHBondContact CE2-O 3.34Å; N230-P232 WeakPolarHBondContact O-CD 3.28Å; P232-S234 PolarHBondContact O-N 2.75Å | ||
| 233 | N | 68.8 | Low | 67.8 | Low | 171 Ų | 171 | 115.2 Ų | 115.2 | 91% | 0.914 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -66.2 | -21.5 | -178 | -77.7 | 14.8 | 0 | 0 | 0 | 114.3 | ||
| 234 | S | 68.1 | Low | 66 | Low | 99 Ų | 99 | 118.4 Ų | 118.4 | 69% | 0.692 | 64% | 0.637 | S | S | * | * | trans | -149.9 | 142.3 | -178.8 | 59.4 | 0 | 0 | 0 | 0 | 111.3 | P232 | P232-S234 PolarHBondContact O-N 2.75Š| ||
| 235 | L | 66.5 | Low | 64.5 | Low | 48 Ų | 48 | 114.2 Ų | 114.2 | 25% | 0.251 | 63% | 0.627 | S | S | . | * | trans | -123.6 | 137.5 | 173.1 | -144.7 | 68.2 | 0 | 0 | 0 | 109.4 | L219 L220 Y223 W237 | L219-L235 HydrophobicContact CD1-CD1 4.04Å; L219-L235 HydrophobicContact CD2-CD1 4.18Å; L219-L235 HydrophobicContact CD2-CD2 4.31Å; L219-L235 HydrophobicContact CD2-CG 4.03Å; L219-L235 HydrophobicContact CG-CD1 3.9Å; L219-L235 HydrophobicContact CG-CD2 3.95Å; L219-L235 HydrophobicContact CG-CG 4.03Å; L220-L235 HydrophobicContact CD1-CD2 4.49Å; Y223-L235 HydrophobicContact CD1-CD2 4.26Å; Y223-L235 HydrophobicContact CD2-CB 4.29Å; Y223-L235 HydrophobicContact CD2-CD1 4.05Å; Y223-L235 HydrophobicContact CD2-CD2 4.06Å; Y223-L235 HydrophobicContact CD2-CG 4.38Å; Y223-L235 HydrophobicContact CE2-CB 4.42Å; Y223-L235 HydrophobicContact CG-CD1 4.48Å; Y223-L235 HydrophobicContact CG-CD2 3.72Å; L235-W237 HydrophobicContact CB-CZ3 4.08Å; L235-W237 HydrophobicContact CD2-CE3 4.36Å; L235-W237 HydrophobicContact CD2-CZ3 3.86Å; L235-W237 HydrophobicContact CG-CE3 4.38Å; L235-W237 HydrophobicContact CG-CZ3 4.13Å | ||
| 236 | A | 67.4 | Low | 63.1 | Low | 86 Ų | 86 | 113.1 Ų | 113.1 | 71% | 0.711 | 62% | 0.62 | S | S | * | * | trans | -140 | 152.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 237 | W | 68.5 | Low | 62.3 | Low | 113 Ų | 113 | 114.9 Ų | 114.9 | 43% | 0.428 | 63% | 0.63 | S | S | . | * | trans | -162.1 | 159.7 | -178.6 | 52.6 | 68.3 | 0 | 0 | 0 | 108.5 | K216 L235 | K216-W237 HydrophobicContact CD-CB 4.02Å; K216-W237 HydrophobicContact CD-CD2 4.19Å; K216-W237 HydrophobicContact CD-CG 3.67Å; K216-W237 VanDerWaalsContact CE-NE1 3.3Å; K216-W237 HydrophobicContact CG-CB 4.15Å; K216-W237 HydrophobicContact CG-CD2 4.2Å; K216-W237 HydrophobicContact CG-CG 3.99Å; K216-W237 VanDerWaalsContact NZ-NE1 3.12Å; L235-W237 HydrophobicContact CB-CZ3 4.08Å; L235-W237 HydrophobicContact CD2-CE3 4.36Å; L235-W237 HydrophobicContact CD2-CZ3 3.86Å; L235-W237 HydrophobicContact CG-CE3 4.38Å; L235-W237 HydrophobicContact CG-CZ3 4.13Å | ||
| 238 | D | 64.2 | Low | 61.8 | Low | 161 Ų | 161 | 114.2 Ų | 114.2 | 86% | 0.861 | 63% | 0.625 | S | S | * | * | trans | -77.6 | 152.5 | 165.9 | -74.9 | -52 | 0 | 0 | 0 | 111.9 | ||||
| 239 | E | 67.1 | Low | 61.4 | Low | 146 Ų | 146 | 111.8 Ų | 111.8 | 68% | 0.682 | 60% | 0.598 | S | S | * | * | trans | -129.9 | 110.3 | 179.2 | -174 | 143.7 | -84.3 | 0 | 0 | 110.2 | K216 T241 | K216-E239 IonicContact NZ-OE1 2.97Å; K216-E239 PolarHBondContact NZ-OE1 2.74Å; E239-T241 PolarHBondContact O-N 2.8Å | ||
| 240 | R | 61.2 | Low | 60.8 | Low | 144 Ų | 144 | 106.7 Ų | 106.7 | 54% | 0.543 | 58% | 0.582 | S | S | . | * | trans | -55.4 | 127.5 | -177.6 | -60 | -175.7 | 88.3 | -149 | 9.7 | 110.5 | D209 I242 | D209-R240 VanDerWaalsContact OD1-CD 3.29Å; D209-R240 WeakPolarHBondContact OD1-CD 3.39Å; D209-R240 IonicContact OD1-CZ 3.78Å; D209-R240 IonicContact OD1-NE 3.48Å; D209-R240 PolarHBondContact OD1-NE 3.45Å; D209-R240 IonicContact OD1-NH2 2.75Å; D209-R240 IonicContact OD2-CZ 3.2Å; D209-R240 VanDerWaalsContact OD2-CZ 3.27Å; D209-R240 IonicContact OD2-NE 2.74Å; D209-R240 PolarHBondContact OD2-NE 2.76Å; D209-R240 IonicContact OD2-NH2 2.76Å; D209-R240 PolarHBondContact OD2-NH2 2.85Å; R240-I242 PolarHBondContact O-N 2.7Å | ||
| 241 | T | 60.2 | Low | 60.1 | Low | 138 Ų | 138 | 102.7 Ų | 102.7 | 85% | 0.847 | 56% | 0.56 | S | S | * | * | trans | -65.4 | 95.8 | 172.8 | 46 | 0 | 0 | 0 | 0 | 110.2 | E239 L243 | E239-T241 PolarHBondContact O-N 2.8Å; T241-L243 PolarHBondContact O-N 2.95Å | ||
| 242 | I | 56.3 | Low | 59.1 | Low | 123 Ų | 123 | 99.6 Ų | 99.6 | 63% | 0.631 | 55% | 0.551 | S | S | * | * | trans | -59.9 | 122.3 | 179.7 | -48.2 | 178 | 0 | 0 | 0 | 109 | R240 G245 | R240-I242 PolarHBondContact O-N 2.7Å; I242-G245 WeakPolarHBondContact CG2-O 3.24Å | ||
| 243 | L | 50.8 | Low | 58.6 | Low | 149 Ų | 149 | 98.6 Ų | 98.6 | 78% | 0.78 | 54% | 0.542 | S | S | * | . | trans | -50.4 | 144.1 | 173.8 | -72.9 | 173.6 | 0 | 0 | 0 | 110.6 | T241 G245 | T241-L243 PolarHBondContact O-N 2.95Å; L243-G245 VanDerWaalsContact C-N 3.32Å; L243-G245 VanDerWaalsContact O-CA 3.29Å; L243-G245 WeakPolarHBondContact O-CA 3.18Å; L243-G245 PolarHBondContact O-N 3.35Å | ||
| 244 | P | 41.9 | Very low | 57.8 | Low | 132 Ų | 132 | 94.3 Ų | 94.3 | 86% | 0.857 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -50.7 | 84.4 | -168.4 | -31.4 | 37.4 | 0 | 0 | 0 | 115.7 | ||
| 245 | G | 47.6 | Very low | 56.7 | Low | 35 Ų | 35 | 93.8 Ų | 93.8 | 36% | 0.361 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -178.6 | 106 | -157.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | I242 L243 | I242-G245 WeakPolarHBondContact CG2-O 3.24Å; L243-G245 VanDerWaalsContact C-N 3.32Å; L243-G245 VanDerWaalsContact O-CA 3.29Å; L243-G245 WeakPolarHBondContact O-CA 3.18Å; L243-G245 PolarHBondContact O-N 3.35Å |
| 246 | K | 52 | Low | 55.5 | Low | 119 Ų | 119 | 94.8 Ų | 94.8 | 52% | 0.517 | 54% | 0.535 | S | S | . | . | trans | -73 | 124.5 | -180 | -132 | 171.3 | -174.8 | 168.5 | 0 | 106 | I248 R1281 | K246-I248 PolarHBondContact O-N 2.77Å; K246-R1281 HydrophobicContact CB-CG 3.89Å; K246-R1281 VanDerWaalsContact CB-CZ 3.43Å; K246-R1281 WeakPolarHBondContact O-CD 3.36Å; K246-R1281 WeakPolarHBondContact O-CG 3.47Å; K246-R1281 PolarHBondContact O-NE 3.07Å | ||
| 247 | P | 58 | Low | 54.1 | Low | 63 Ų | 63 | 93.8 Ų | 93.8 | 41% | 0.409 | 53% | 0.533 | S | S | . | . | trans | -68.2 | 130.6 | -169 | 23.4 | -34.1 | 0 | 0 | 0 | 113.2 | M249 C250 R1281 | P247-M249 PolarHBondContact O-N 2.88Å; P247-C250 PolarHBondContact O-N 3.48Å; P247-R1281 PolarHBondContact O-NE 3.32Å; P247-R1281 VanDerWaalsContact O-NE 3.08Å; P247-R1281 PolarHBondContact O-NH2 3.01Å | ||
| 248 | I | 58.4 | Low | 52.5 | Low | 101 Ų | 101 | 94.1 Ų | 94.1 | 52% | 0.518 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -54.1 | -46.7 | -164.6 | -66.5 | 171.2 | 0 | 0 | 0 | 113.4 | Y168 K246 C250 Q251 V252 | Y168-I248 HydrophobicContact CE2-CG2 4.18Å; K246-I248 PolarHBondContact O-N 2.77Å; I248-C250 VanDerWaalsContact C-N 3.29Å; I248-C250 PolarHBondContact O-N 3.26Å; I248-Q251 WeakPolarHBondContact O-CB 3.28Å; I248-Q251 PolarHBondContact O-N 2.87Å; I248-V252 HydrophobicContact CG2-CG2 3.88Å; I248-V252 PolarHBondContact O-N 3.26Å |
| 249 | M | 57.9 | Low | 50.8 | Low | 43 Ų | 43 | 92.3 Ų | 92.3 | 21% | 0.212 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -54.3 | -39.3 | -174 | -123.3 | -84.9 | -84.7 | 0 | 0 | 113.8 | K165 Y168 P247 Q251 V252 L253 | K165-M249 HydrophobicContact CG-CE 4.07Å; K165-M249 HydrophobicContact CG-SD 4.32Å; Y168-M249 HydrophobicContact CD1-CG 3.49Å; Y168-M249 VanDerWaalsContact CD1-CG 3.49Å; Y168-M249 HydrophobicContact CD1-SD 4.41Å; Y168-M249 HydrophobicContact CD2-CG 4.48Å; Y168-M249 HydrophobicContact CE1-CB 4Å; Y168-M249 HydrophobicContact CE1-CG 3.18Å; Y168-M249 HydrophobicContact CE2-CG 4.22Å; Y168-M249 HydrophobicContact CG-CG 4.15Å; P247-M249 PolarHBondContact O-N 2.88Å; M249-Q251 PolarHBondContact O-N 3.11Å; M249-V252 PolarHBondContact O-N 2.98Å; M249-L253 HydrophobicContact CE-CD1 3.88Å; M249-L253 HydrophobicContact CE-CG 4.46Å; M249-L253 WeakPolarHBondContact O-CG 3.14Å; M249-L253 PolarHBondContact O-N 3.44Å; M249-L253 HydrophobicContact SD-CD1 3.76Å; M249-L253 HydrophobicContact SD-CD2 3.99Å; M249-L253 HydrophobicContact SD-CG 3.7Å |
| 250 | C | 56.6 | Low | 48.9 | Very low | 80 Ų | 80 | 91 Ų | 91 | 54% | 0.541 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.8 | -24 | 177.3 | -54.6 | 0 | 0 | 0 | 0 | 113.5 | P247 I248 | P247-C250 PolarHBondContact O-N 3.48Å; I248-C250 VanDerWaalsContact C-N 3.29Å; I248-C250 PolarHBondContact O-N 3.26Å |
| 251 | Q | 54.4 | Low | 47.3 | Very low | 43 Ų | 43 | 90.3 Ų | 90.3 | 20% | 0.201 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -81.2 | -38.3 | 173.2 | -158.9 | 177.9 | 41.4 | 0 | 0 | 111.3 | I248 M249 A254 S255 R1281 H1282 | I248-Q251 WeakPolarHBondContact O-CB 3.28Å; I248-Q251 PolarHBondContact O-N 2.87Å; M249-Q251 PolarHBondContact O-N 3.11Å; Q251-A254 PolarHBondContact O-N 3.43Å; Q251-S255 WeakPolarHBondContact O-CB 3.4Å; Q251-S255 PolarHBondContact O-N 3.26Å; Q251-S255 PolarHBondContact O-OG 3.4Å; Q251-R1281 PolarHBondContact NE2-O 2.93Å; Q251-H1282 VanDerWaalsContact CD-CE1 3.46Å; Q251-H1282 PolarHBondContact NE2-CE1 2.87Å; Q251-H1282 VanDerWaalsContact NE2-CE1 3.27Å; Q251-H1282 PolarHBondContact NE2-NE2 3.04Å |
| 252 | V | 51.8 | Low | 45.7 | Very low | 29 Ų | 29 | 87.4 Ų | 87.4 | 18% | 0.176 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -66.7 | -46 | 180 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | Y164 I248 M249 A254 S255 T256 | Y164-V252 HydrophobicContact CD1-CG1 4.43Å; Y164-V252 HydrophobicContact CE1-CG1 3.48Å; Y164-V252 VanDerWaalsContact CE1-CG1 3.48Å; Y164-V252 WeakPolarHBondContact OH-CG1 3.18Å; I248-V252 HydrophobicContact CG2-CG2 3.88Å; I248-V252 PolarHBondContact O-N 3.26Å; M249-V252 PolarHBondContact O-N 2.98Å; V252-A254 VanDerWaalsContact C-N 3.3Å; V252-A254 PolarHBondContact O-N 3.14Å; V252-S255 CarbonylContact O-C 3.55Å; V252-S255 WeakPolarHBondContact O-CA 3.33Å; V252-S255 WeakPolarHBondContact O-CB 3.49Å; V252-S255 PolarHBondContact O-N 3.36Å; V252-T256 PolarHBondContact O-N 2.77Å; V252-T256 PolarHBondContact O-OG1 3.46Å |
| 253 | L | 53 | Low | 44.3 | Very low | 47 Ų | 47 | 90.4 Ų | 90.4 | 25% | 0.246 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -60.8 | -39.6 | 177.1 | -65.6 | 176.7 | 0 | 0 | 0 | 112.1 | E161 K165 M249 S255 T256 | E161-L253 HydrophobicContact CG-CD2 3.99Å; K165-L253 HydrophobicContact CG-CD2 4.48Å; M249-L253 HydrophobicContact CE-CD1 3.88Å; M249-L253 HydrophobicContact CE-CG 4.46Å; M249-L253 WeakPolarHBondContact O-CG 3.14Å; M249-L253 PolarHBondContact O-N 3.44Å; M249-L253 HydrophobicContact SD-CD1 3.76Å; M249-L253 HydrophobicContact SD-CD2 3.99Å; M249-L253 HydrophobicContact SD-CG 3.7Å; L253-S255 PolarHBondContact O-N 2.93Å; L253-T256 WeakPolarHBondContact CA-OG1 3.19Å; L253-T256 PolarHBondContact O-N 3.43Å; L253-T256 PolarHBondContact O-OG1 3.47Å |
| 254 | A | 52.9 | Low | 43.1 | Very low | 82 Ų | 82 | 92.7 Ų | 92.7 | 68% | 0.678 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.1 | -20.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q251 V252 | Q251-A254 PolarHBondContact O-N 3.43Å; V252-A254 VanDerWaalsContact C-N 3.3Å; V252-A254 PolarHBondContact O-N 3.14Å |
| 255 | S | 43.2 | Very low | 42.1 | Very low | 87 Ų | 87 | 91 Ų | 91 | 61% | 0.608 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -90 | -25.1 | 178 | -54.4 | 0 | 0 | 0 | 0 | 113.1 | Q251 V252 L253 G257 | Q251-S255 WeakPolarHBondContact O-CB 3.4Å; Q251-S255 PolarHBondContact O-N 3.26Å; Q251-S255 PolarHBondContact O-OG 3.4Å; V252-S255 CarbonylContact O-C 3.55Å; V252-S255 WeakPolarHBondContact O-CA 3.33Å; V252-S255 WeakPolarHBondContact O-CB 3.49Å; V252-S255 PolarHBondContact O-N 3.36Å; L253-S255 PolarHBondContact O-N 2.93Å; S255-G257 PolarHBondContact O-N 3.25Å |
| 256 | T | 42.1 | Very low | 41 | Very low | 69 Ų | 69 | 99.4 Ų | 99.4 | 42% | 0.423 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -75.1 | -2.1 | -178.2 | 35.9 | 0 | 0 | 0 | 0 | 115 | V252 L253 V258 | V252-T256 PolarHBondContact O-N 2.77Å; V252-T256 PolarHBondContact O-OG1 3.46Å; L253-T256 WeakPolarHBondContact CA-OG1 3.19Å; L253-T256 PolarHBondContact O-N 3.43Å; L253-T256 PolarHBondContact O-OG1 3.47Å; T256-V258 PolarHBondContact O-N 3.29Å |
| 257 | G | 37.6 | Very low | 39.6 | Very low | 65 Ų | 65 | 101.7 Ų | 101.7 | 67% | 0.67 | 60% | 0.6 | S | S | * | * | trans | 71.6 | -20 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | S255 V259 | S255-G257 PolarHBondContact O-N 3.25Å; G257-V259 VanDerWaalsContact C-N 3.29Å; G257-V259 PolarHBondContact O-N 3.25Å | ||
| 258 | V | 35.2 | Very low | 37.9 | Very low | 121 Ų | 121 | 104.1 Ų | 104.1 | 73% | 0.733 | 62% | 0.619 | S | S | * | * | trans | -83.8 | 71.8 | 178.6 | -169.6 | 0 | 0 | 0 | 0 | 110.5 | T256 | T256-V258 PolarHBondContact O-N 3.29Š| ||
| 259 | V | 27.7 | Very low | 36.2 | Very low | 122 Ų | 122 | 105.1 Ų | 105.1 | 74% | 0.739 | 63% | 0.63 | S | S | * | * | trans | -104 | 107.5 | 159.3 | 178.2 | 0 | 0 | 0 | 0 | 107.3 | G257 S261 | G257-V259 VanDerWaalsContact C-N 3.29Å; G257-V259 PolarHBondContact O-N 3.25Å; V259-S261 PolarHBondContact O-N 3.17Å | ||
| 260 | T | 29 | Very low | 34.8 | Very low | 118 Ų | 118 | 109.1 Ų | 109.1 | 72% | 0.724 | 66% | 0.659 | S | S | * | * | trans | -64.6 | 132.8 | 171.1 | 39.9 | 0 | 0 | 0 | 0 | 109.4 | A262 | T260-A262 PolarHBondContact O-N 3.03Š| ||
| 261 | S | 26 | Very low | 33.2 | Very low | 130 Ų | 130 | 112.7 Ų | 112.7 | 91% | 0.909 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 56 | -163.8 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | V259 | V259-S261 PolarHBondContact O-N 3.17Š|
| 262 | A | 28.1 | Very low | 31.7 | Very low | 78 Ų | 78 | 115.4 Ų | 115.4 | 65% | 0.645 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | -13 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | T260 | T260-A262 PolarHBondContact O-N 3.03Š|
| 263 | Q | 27 | Very low | 30.5 | Very low | 185 Ų | 185 | 122.4 Ų | 122.4 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -136.3 | 61.8 | -177.6 | -76.6 | -171.3 | -41.9 | 0 | 0 | 113.8 | ||
| 264 | Q | 25.4 | Very low | 29.3 | Very low | 198 Ų | 198 | 129.8 Ų | 129.8 | 93% | 0.925 | 76% | 0.758 | S | S | * | * | trans | -156.8 | 42.9 | 154.2 | -118.9 | 163.4 | 40 | 0 | 0 | 112.8 | Y266 | Q264-Y266 VanDerWaalsContact C-N 3.33Å; Q264-Y266 PolarHBondContact O-N 3Å | ||
| 265 | S | 21.2 | Very low | 28.2 | Very low | 97 Ų | 97 | 131 Ų | 131 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | -90.7 | 45.2 | -177.9 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 266 | Y | 22.9 | Very low | 27.2 | Very low | 210 Ų | 210 | 134.9 Ų | 134.9 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -136.4 | 139.3 | 170.2 | -71.3 | -72.1 | 0 | 0 | 0 | 111.1 | Q264 | Q264-Y266 VanDerWaalsContact C-N 3.33Å; Q264-Y266 PolarHBondContact O-N 3Å | ||
| 267 | L | 22.7 | Very low | 26.3 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 68.4 | 70.3 | 175.1 | -52.4 | 178.9 | 0 | 0 | 0 | 117.5 | ||
| 268 | S | 23.5 | Very low | 25.7 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | 156.9 | 113.4 | 110.9 | -69.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 269 | T | 22.1 | Very low | 25.1 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -157.4 | 123.4 | 157.2 | -55.7 | 0 | 0 | 0 | 0 | 110.5 | L271 | T269-L271 HydrophobicContact CG2-CD1 4.2Å; T269-L271 HydrophobicContact CG2-CG 4.05Å | ||
| 270 | P | 27.8 | Very low | 25.1 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -127.5 | 117.3 | 149.2 | 19.2 | 0.6 | 0 | 0 | 0 | 110.5 | ||||
| 271 | L | 24.8 | Very low | 24.9 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -112.9 | 111.7 | 177.4 | -80.5 | 171.7 | 0 | 0 | 0 | 111.9 | T269 | T269-L271 HydrophobicContact CG2-CD1 4.2Å; T269-L271 HydrophobicContact CG2-CG 4.05Å | ||
| 272 | S | 22.7 | Very low | 25.2 | Very low | 99 Ų | 99 | 144.6 Ų | 144.6 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | 35 | 122.1 | 129.8 | -115 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 273 | M | 25.8 | Very low | 25.1 | Very low | 177 Ų | 177 | 145.6 Ų | 145.6 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | trans | 70.7 | 127.4 | 144.3 | -28.3 | -162.1 | 87.3 | 0 | 0 | 120.5 | ||||
| 274 | K | 28.8 | Very low | 25.3 | Very low | 202 Ų | 202 | 144 Ų | 144 | 88% | 0.878 | 81% | 0.813 | S | S | * | * | trans | -144.2 | 125 | 148 | -89.8 | -166.4 | 175.2 | -178.6 | 0 | 111.5 | ||||
| 275 | S | 28.4 | Very low | 25.5 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | 45.9 | 108.2 | 150.8 | 58.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 276 | D | 21.8 | Very low | 25.7 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -63.3 | 148.2 | 145.4 | -45.4 | -89 | 0 | 0 | 0 | 111.3 | ||||
| 277 | S | 25 | Very low | 25.9 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -179.2 | 101.5 | 140.9 | -174.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 278 | S | 24.9 | Very low | 25.9 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -158.6 | 138.3 | 148.5 | 56 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 279 | V | 21.8 | Very low | 25.9 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -142.5 | 168.5 | -170.4 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 280 | I | 27.8 | Very low | 26 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | trans | 88.1 | 83.9 | 176.1 | -48.5 | 175.5 | 0 | 0 | 0 | 113.6 | ||||
| 281 | E | 23.8 | Very low | 25.9 | Very low | 179 Ų | 179 | 135.3 Ų | 135.3 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | 32.3 | 114.4 | 115.2 | -58.9 | 174 | 166.6 | 0 | 0 | 118.4 | |||||
| 282 | V | 32 | Very low | 25.7 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | -132.1 | 127.9 | 128.2 | -178.7 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 283 | A | 27.6 | Very low | 26.1 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -122.1 | 126.3 | 168 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 284 | D | 30.1 | Very low | 26 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | -145.8 | 166.5 | 175.1 | -118.9 | -37.3 | 0 | 0 | 0 | 110 | ||||
| 285 | S | 30.3 | Very low | 26 | Very low | 91 Ų | 91 | 130.7 Ų | 130.7 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | trans | -129.3 | 162.6 | -142.4 | 49.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 286 | D | 24.9 | Very low | 26 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | trans | 64.1 | 114.6 | 151.4 | -61.5 | -12.3 | 0 | 0 | 0 | 122.7 | ||||
| 287 | S | 26.5 | Very low | 26.2 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | trans | 49.1 | 126.8 | 134.6 | 66 | 0 | 0 | 0 | 0 | 123 | ||||
| 288 | D | 23.6 | Very low | 26.4 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | trans | 54 | 120.3 | 137.9 | -61.5 | -28 | 0 | 0 | 0 | 121.5 | ||||
| 289 | I | 23.3 | Very low | 26.4 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 92% | 0.918 | 81% | 0.808 | S | S | * | * | 168.6 | 141.3 | 127.8 | -88.8 | 154.7 | 0 | 0 | 0 | 110.3 | |||||
| 290 | G | 24.7 | Very low | 26.7 | Very low | 66 Ų | 66 | 139 Ų | 139 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | trans | 126.4 | 118.5 | 145.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 291 | C | 25 | Very low | 26.5 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | 28.5 | 116.7 | 149.1 | -70.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 292 | S | 21.4 | Very low | 26.8 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | 67.3 | 108.6 | 73.3 | -64 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 293 | K | 31.3 | Very low | 26.5 | Very low | 218 Ų | 218 | 138.8 Ų | 138.8 | 95% | 0.948 | 80% | 0.797 | S | S | * | * | trans | -163.7 | 162 | 148.1 | -108.6 | 154.5 | -172.3 | 172.1 | 0 | 111.2 | ||||
| 294 | S | 23.9 | Very low | 26.7 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -128.4 | 147.1 | -154 | 56 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 295 | G | 27.2 | Very low | 26.5 | Very low | 82 Ų | 82 | 139.6 Ų | 139.6 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | 135.3 | 137 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 296 | N | 29.3 | Very low | 26.2 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | cis | -135.7 | 178.1 | 22.9 | -166.1 | 7.8 | 0 | 0 | 0 | 112.1 | ||||
| 297 | R | 26.2 | Very low | 26.3 | Very low | 218 Ų | 218 | 140.8 Ų | 140.8 | 82% | 0.823 | 78% | 0.781 | S | S | * | * | trans | -78.2 | 145.1 | -173.3 | -58.4 | 168.3 | 178.1 | 160.2 | -2 | 113.8 | ||||
| 298 | N | 28.6 | Very low | 26.1 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | -164 | 159.7 | 125.2 | -102 | -23 | 0 | 0 | 0 | 112.2 | |||||
| 299 | H | 25.6 | Very low | 26.2 | Very low | 178 Ų | 178 | 141.8 Ų | 141.8 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -75.2 | 162.5 | 179.3 | -64.2 | -107.4 | 0 | 0 | 0 | 111.3 | ||||
| 300 | S | 27.6 | Very low | 26.5 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | cis | -147.7 | 173 | 15.4 | -152.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 301 | L | 24.6 | Very low | 26.7 | Very low | 142 Ų | 142 | 144.3 Ų | 144.3 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | -68.8 | 165.6 | 174.3 | -55.5 | 173.2 | 0 | 0 | 0 | 112 | ||||
| 302 | N | 28.2 | Very low | 26.8 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | cis | -156.3 | 179.2 | -6.8 | -126.6 | -4.6 | 0 | 0 | 0 | 112.9 | ||||
| 303 | K | 26.9 | Very low | 27.2 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | -117.2 | 162.7 | 170.7 | -174.3 | -160.9 | 174.2 | -166.3 | 0 | 109.8 | ||||
| 304 | L | 31.2 | Very low | 27 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 59% | 0.592 | 76% | 0.762 | S | S | * | * | trans | 103.1 | 129.9 | 157.6 | -57.9 | 174.8 | 0 | 0 | 0 | 118.2 | ||||
| 305 | E | 25.8 | Very low | 27.4 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | trans | 61.4 | 154.5 | 130.9 | -62 | 167.4 | 171.2 | 0 | 0 | 120.1 | ||||
| 306 | L | 24.3 | Very low | 27.5 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | cis | -161 | 159.5 | -19.7 | -110.7 | 165.6 | 0 | 0 | 0 | 109 | ||||
| 307 | N | 26.2 | Very low | 27.6 | Very low | 129 Ų | 129 | 147.2 Ų | 147.2 | 69% | 0.69 | 74% | 0.743 | S | S | * | * | trans | 35.9 | 125.5 | 154.9 | -65.6 | -5.1 | 0 | 0 | 0 | 124 | ||||
| 308 | M | 23.9 | Very low | 27.7 | Very low | 171 Ų | 171 | 144.6 Ų | 144.6 | 84% | 0.842 | 74% | 0.739 | S | S | * | * | trans | 65.5 | 97.3 | 130.8 | -62.4 | -179.2 | 65.5 | 0 | 0 | 122.8 | ||||
| 309 | A | 24.7 | Very low | 27.7 | Very low | 99 Ų | 99 | 144.7 Ų | 144.7 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | 46.7 | 108.1 | 117.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 310 | I | 30.3 | Very low | 27.8 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 86% | 0.856 | 74% | 0.737 | S | S | * | * | trans | -144 | 110 | 150 | -61.7 | -176.5 | 0 | 0 | 0 | 105.1 | ||||
| 311 | N | 28.4 | Very low | 27.8 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | 87 | 112.1 | 77.3 | -155.3 | 77.5 | 0 | 0 | 0 | 115.6 | |||||
| 312 | D | 27.7 | Very low | 27.9 | Very low | 124 Ų | 124 | 144.2 Ų | 144.2 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | trans | 69.2 | 133.6 | 150.3 | -74.9 | -18.1 | 0 | 0 | 0 | 126.6 | ||||
| 313 | N | 28.9 | Very low | 27.9 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | trans | 85.8 | 113.9 | 133.7 | -86.7 | -55.2 | 0 | 0 | 0 | 123.8 | ||||
| 314 | K | 28.7 | Very low | 27.9 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 73% | 0.726 | 74% | 0.735 | S | S | * | * | trans | 67.3 | 142.1 | 145.2 | -49.6 | 171.4 | -178.6 | 178.1 | 0 | 117.4 | ||||
| 315 | H | 30.4 | Very low | 27.9 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 67% | 0.667 | 74% | 0.742 | S | S | * | * | cis | -148.9 | 170.8 | 26.3 | -98.2 | -81.8 | 0 | 0 | 0 | 112.6 | ||||
| 316 | H | 29.9 | Very low | 28.1 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | trans | 10.3 | 125.6 | 159.8 | -47.9 | -66.4 | 0 | 0 | 0 | 119.2 | ||||
| 317 | H | 31.8 | Very low | 28.4 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 82% | 0.819 | 76% | 0.758 | S | S | * | * | -156 | -178.7 | 71.7 | -109.2 | -90.1 | 0 | 0 | 0 | 114.4 | |||||
| 318 | H | 29 | Very low | 28.7 | Very low | 162 Ų | 162 | 142 Ų | 142 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | trans | -63.5 | 144 | -175 | -69.9 | -106.9 | 0 | 0 | 0 | 112.9 | ||||
| 319 | H | 27.7 | Very low | 28.9 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | 55.7 | 129.9 | 80.4 | -108.1 | -105.3 | 0 | 0 | 0 | 112.4 | |||||
| 320 | E | 26.7 | Very low | 28.9 | Very low | 187 Ų | 187 | 141.1 Ų | 141.1 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | cis | -120.1 | 170.7 | 21.6 | -58.7 | -171.4 | 111.5 | 0 | 0 | 115.6 | ||||
| 321 | S | 28 | Very low | 29 | Very low | 94 Ų | 94 | 141 Ų | 141 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | trans | -144.9 | 129.8 | 179.6 | 59.4 | 0 | 0 | 0 | 0 | 112 | T323 | S321-T323 PolarHBondContact O-N 2.89Š| ||
| 322 | C | 26.4 | Very low | 29.2 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 91% | 0.912 | 76% | 0.756 | S | S | * | * | trans | -93.6 | 91 | 170.5 | -161.5 | 0 | 0 | 0 | 0 | 111.4 | I324 | C322-I324 PolarHBondContact O-N 3.15Š| ||
| 323 | T | 28.4 | Very low | 29.3 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | trans | -6.6 | 107 | 156.2 | -56 | 0 | 0 | 0 | 0 | 115.3 | S321 | S321-T323 PolarHBondContact O-N 2.89Š| ||
| 324 | I | 27.8 | Very low | 29.5 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | 77.4 | 131 | 81 | -69.7 | 162.1 | 0 | 0 | 0 | 114.3 | C322 | C322-I324 PolarHBondContact O-N 3.15Š| |||
| 325 | P | 32.1 | Very low | 29.6 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | trans | -91.4 | 147.1 | 172.8 | 36.2 | -33.9 | 0 | 0 | 0 | 113.1 | ||||
| 326 | S | 28.5 | Very low | 29.4 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -172.8 | 132.5 | 153.1 | -86.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 327 | T | 31.9 | Very low | 29.4 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 92% | 0.92 | 77% | 0.766 | S | S | * | * | trans | -145 | 137.5 | 145.6 | 44.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 328 | N | 30.8 | Very low | 29.2 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | trans | -160.8 | 159.4 | 174.1 | -167.6 | 9.8 | 0 | 0 | 0 | 107.9 | ||||
| 329 | S | 28.5 | Very low | 29.3 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 62% | 0.622 | 76% | 0.756 | S | S | * | * | trans | 69.2 | 111.6 | 167.8 | -155.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 330 | M | 25.2 | Very low | 29.4 | Very low | 162 Ų | 162 | 132 Ų | 132 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | 52.2 | 152.2 | 127.3 | -55.2 | -171.8 | 71.8 | 0 | 0 | 124.8 | |||||
| 331 | M | 32.3 | Very low | 29.3 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | trans | 94.1 | 131.4 | 148.2 | -83.8 | 175.8 | 167 | 0 | 0 | 122.4 | ||||
| 332 | V | 32 | Very low | 30.2 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | trans | 48.1 | 121.3 | 148 | -173.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 333 | P | 31.3 | Very low | 30.4 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | trans | -101.9 | 150.9 | 154.1 | 36.8 | -29.2 | 0 | 0 | 0 | 113.3 | ||||
| 334 | N | 31.2 | Very low | 30.5 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | trans | 135.2 | 151.8 | 132.7 | -160.1 | 32.5 | 0 | 0 | 0 | 115.7 | ||||
| 335 | M | 31.6 | Very low | 30.6 | Very low | 150 Ų | 150 | 128.2 Ų | 128.2 | 74% | 0.739 | 74% | 0.738 | S | S | * | * | trans | 82.4 | 157.9 | 172.9 | -49.7 | -77.9 | 58.3 | 0 | 0 | 118 | ||||
| 336 | C | 26.1 | Very low | 31 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 65% | 0.649 | 74% | 0.738 | S | S | * | * | trans | -142.6 | 157.5 | -147.9 | 52.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 337 | N | 30.4 | Very low | 31.2 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | 175 | 127.9 | 122.7 | -91 | -2.1 | 0 | 0 | 0 | 113.3 | |||||
| 338 | L | 28.3 | Very low | 31.6 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 71% | 0.712 | 73% | 0.728 | S | S | * | * | 56.1 | 135.1 | 125 | -64.4 | 169.6 | 0 | 0 | 0 | 123 | |||||
| 339 | D | 29.7 | Very low | 31.7 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | trans | 93.8 | 112.4 | 134.5 | -65.6 | -1.4 | 0 | 0 | 0 | 123.8 | ||||
| 340 | N | 29.5 | Very low | 32.2 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | 84 | 120.1 | 126.3 | -61.3 | -13.9 | 0 | 0 | 0 | 123.5 | |||||
| 341 | E | 26.2 | Very low | 32.5 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | 66.8 | 161.7 | 127.5 | -63.7 | -76.2 | 102.8 | 0 | 0 | 120.4 | |||||
| 342 | P | 46.2 | Very low | 32.5 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 63% | 0.63 | 73% | 0.733 | S | S | * | * | -128.9 | -131.1 | -56.7 | 38.4 | -20.3 | 0 | 0 | 0 | 109.1 | |||||
| 343 | S | 29.6 | Very low | 32.5 | Very low | 98 Ų | 98 | 132.6 Ų | 132.6 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | trans | 65.3 | 152 | 171.8 | 62.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 344 | D | 30.5 | Very low | 32.6 | Very low | 149 Ų | 149 | 135 Ų | 135 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | cis | -153 | 133.3 | -11.8 | -99.7 | -11.1 | 0 | 0 | 0 | 105.5 | ||||
| 345 | A | 31.2 | Very low | 32.9 | Very low | 73 Ų | 73 | 135 Ų | 135 | 60% | 0.603 | 73% | 0.727 | S | S | * | * | 87.3 | 151.4 | 81.7 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 346 | N | 39.2 | Very low | 32.9 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | 74.8 | 149.4 | 171.7 | -30.3 | -44.2 | 0 | 0 | 0 | 117.5 | ||||
| 347 | D | 33.2 | Very low | 33.5 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | cis | -171.7 | 174.9 | -27.7 | -92.9 | -28.1 | 0 | 0 | 0 | 107.8 | ||||
| 348 | E | 39.7 | Very low | 33.6 | Very low | 180 Ų | 180 | 135 Ų | 135 | 84% | 0.841 | 73% | 0.729 | S | S | * | * | trans | 68.3 | 142.8 | 163.9 | -64.4 | 162.6 | -161.8 | 0 | 0 | 118.9 | ||||
| 349 | D | 34.6 | Very low | 33.7 | Very low | 144 Ų | 144 | 135.5 Ų | 135.5 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | cis | -171.5 | -173 | -35.7 | -107.9 | -31.7 | 0 | 0 | 0 | 109.6 | ||||
| 350 | D | 38.4 | Very low | 33.8 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | trans | 72.1 | 107.3 | 171.1 | -55.3 | -16 | 0 | 0 | 0 | 117 | ||||
| 351 | D | 32.1 | Very low | 33.9 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | 75.3 | 135.9 | 82.4 | -73.7 | -12.6 | 0 | 0 | 0 | 113.8 | |||||
| 352 | E | 31.6 | Very low | 34.2 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 85% | 0.85 | 73% | 0.734 | S | S | * | * | cis | -135.6 | 170.1 | 9 | -68.6 | -179.8 | 94.2 | 0 | 0 | 108.6 | ||||
| 353 | V | 32.5 | Very low | 33.3 | Very low | 109 Ų | 109 | 136 Ų | 136 | 66% | 0.661 | 74% | 0.737 | S | S | * | * | cis | -169.8 | 112.9 | -15 | 139.9 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 354 | E | 32.9 | Very low | 33.3 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | 95.5 | 159.7 | 96.9 | -156.3 | 178.5 | -140.9 | 0 | 0 | 115.1 | |||||
| 355 | I | 36.5 | Very low | 33.1 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | trans | 93.1 | 88.2 | 171.2 | -50.5 | 174.2 | 0 | 0 | 0 | 116.7 | ||||
| 356 | D | 33.4 | Very low | 33.3 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | 48.4 | 144.9 | 122.5 | -34.8 | -26.5 | 0 | 0 | 0 | 119.8 | |||||
| 357 | V | 38.2 | Very low | 32.8 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | cis | -149.7 | 130.3 | 34.4 | 166.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 358 | D | 33.1 | Very low | 32.3 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 67% | 0.668 | 74% | 0.741 | S | S | * | * | trans | 34.5 | 131.4 | 137 | -41 | -21 | 0 | 0 | 0 | 123.4 | ||||
| 359 | D | 28.7 | Very low | 31.6 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | 66.9 | 158 | 124.8 | -69 | -15.2 | 0 | 0 | 0 | 122.8 | |||||
| 360 | E | 32.5 | Very low | 31.4 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | cis | -151.5 | 143.9 | -3.9 | -137.1 | -169.8 | 170.3 | 0 | 0 | 110.8 | ||||
| 361 | S | 32.4 | Very low | 30.8 | Very low | 103 Ų | 103 | 145 Ų | 145 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | trans | 62.5 | 177.2 | 143.5 | 90.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 362 | V | 30.8 | Very low | 30.7 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | cis | -158.2 | 134.8 | -39.7 | 130.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 363 | E | 28.3 | Very low | 30.5 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | trans | 45 | 123.7 | 150.7 | -59.1 | -159.3 | 95.3 | 0 | 0 | 125.4 | ||||
| 364 | H | 29.3 | Very low | 30.4 | Very low | 152 Ų | 152 | 148.5 Ų | 148.5 | 70% | 0.704 | 74% | 0.74 | S | S | * | * | 62.6 | 106.2 | 123.6 | -64.2 | 118.9 | 0 | 0 | 0 | 124 | |||||
| 365 | H | 26.3 | Very low | 30 | Very low | 182 Ų | 182 | 149 Ų | 149 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | 76.7 | 168.6 | 127.6 | -109.9 | -6.9 | 0 | 0 | 0 | 118.7 | |||||
| 366 | P | 36.6 | Very low | 29.6 | Very low | 100 Ų | 100 | 147.2 Ų | 147.2 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | -126.9 | 159.4 | -128.1 | 40.3 | -23.5 | 0 | 0 | 0 | 115.7 | |||||
| 367 | H | 28.3 | Very low | 29.2 | Very low | 188 Ų | 188 | 147.4 Ų | 147.4 | 87% | 0.87 | 75% | 0.745 | S | S | * | * | trans | -152.4 | 162.2 | 153.1 | -129 | -83.5 | 0 | 0 | 0 | 114.2 | ||||
| 368 | C | 22.8 | Very low | 28.6 | Very low | 81 Ų | 81 | 149.9 Ų | 149.9 | 55% | 0.547 | 75% | 0.746 | S | S | . | * | trans | -87.1 | 172.7 | -175.2 | 61.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 369 | H | 24.7 | Very low | 28.2 | Very low | 164 Ų | 164 | 148.5 Ų | 148.5 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | trans | 67.8 | 123.2 | 162.6 | -67.2 | -46.2 | 0 | 0 | 0 | 118.6 | ||||
| 370 | H | 29.6 | Very low | 28.1 | Very low | 182 Ų | 182 | 150.6 Ų | 150.6 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | -168.5 | 167.1 | 87.3 | -114.3 | -2.9 | 0 | 0 | 0 | 114.4 | |||||
| 371 | K | 26.3 | Very low | 28 | Very low | 193 Ų | 193 | 149.2 Ų | 149.2 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | trans | -88.7 | 142.1 | 165.4 | -58.4 | 171.2 | 177.8 | 178.2 | 0 | 108.7 | ||||
| 372 | R | 30.1 | Very low | 27.9 | Very low | 210 Ų | 210 | 149.8 Ų | 149.8 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | 179.5 | 137.7 | 124.2 | -105.5 | 178.7 | 175.9 | -133.7 | 9.4 | 115.2 | |||||
| 373 | Q | 27.3 | Very low | 28.1 | Very low | 131 Ų | 131 | 150.3 Ų | 150.3 | 61% | 0.612 | 74% | 0.735 | S | S | * | * | trans | 45.8 | 121.4 | 133.7 | -67.9 | 167.4 | -30.4 | 0 | 0 | 120.7 | ||||
| 374 | Q | 30 | Very low | 28.3 | Very low | 181 Ų | 181 | 149.6 Ų | 149.6 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | 16.3 | 121.7 | 121.8 | -65.5 | 175.6 | -27.7 | 0 | 0 | 117.1 | |||||
| 375 | M | 25.1 | Very low | 28.5 | Very low | 180 Ų | 180 | 149.7 Ų | 149.7 | 89% | 0.887 | 74% | 0.742 | S | S | * | * | trans | -149.2 | 140.9 | 132.8 | -117.1 | 169.5 | 67.6 | 0 | 0 | 111.6 | ||||
| 376 | S | 28.6 | Very low | 28.8 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | trans | -69.2 | 147.5 | 173.1 | 52.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 377 | N | 25.3 | Very low | 28.8 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | trans | 178.2 | 159.6 | 152.8 | -94.4 | -12.6 | 0 | 0 | 0 | 109.7 | ||||
| 378 | F | 23.5 | Very low | 28.8 | Very low | 172 Ų | 172 | 146.6 Ų | 146.6 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | cis | -165.3 | 150.7 | -33.3 | -143.9 | -123.1 | 0 | 0 | 0 | 107.3 | ||||
| 379 | T | 25.3 | Very low | 29.2 | Very low | 95 Ų | 95 | 148 Ų | 148 | 58% | 0.583 | 74% | 0.736 | S | S | * | * | trans | 13.8 | 129.1 | 139.9 | -38.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 380 | Y | 26.7 | Very low | 29.4 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 75% | 0.745 | 73% | 0.728 | S | S | * | * | 175.2 | 173.8 | 74.5 | -157.6 | -153.9 | 0 | 0 | 0 | 113.5 | |||||
| 381 | L | 31.2 | Very low | 29.7 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 66% | 0.66 | 73% | 0.728 | S | S | * | * | trans | 62.9 | 125.5 | 170.3 | -63.2 | 161.9 | 0 | 0 | 0 | 116.9 | ||||
| 382 | V | 29 | Very low | 29.9 | Very low | 114 Ų | 114 | 146.9 Ų | 146.9 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | cis | 92.7 | 146.9 | 16.4 | -164.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 383 | D | 35.4 | Very low | 30.1 | Very low | 130 Ų | 130 | 145.7 Ų | 145.7 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | trans | 76.5 | 133.4 | -173.6 | -42.9 | -28.4 | 0 | 0 | 0 | 115.2 | ||||
| 384 | D | 33.1 | Very low | 30.4 | Very low | 135 Ų | 135 | 148.7 Ų | 148.7 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | cis | -165.5 | 162.3 | -18.8 | -108.9 | -18.6 | 0 | 0 | 0 | 111.4 | ||||
| 385 | D | 32.5 | Very low | 30.6 | Very low | 155 Ų | 155 | 149 Ų | 149 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | trans | 58.7 | 153.4 | 159.9 | -69.3 | -22.3 | 0 | 0 | 0 | 122.2 | ||||
| 386 | A | 33.9 | Very low | 30.9 | Very low | 73 Ų | 73 | 144.1 Ų | 144.1 | 60% | 0.603 | 74% | 0.743 | S | S | * | * | cis | -169.1 | 158.3 | -24.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 387 | D | 36.4 | Very low | 31.2 | Very low | 155 Ų | 155 | 148 Ų | 148 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | trans | 59.9 | 152.7 | 156.5 | -65.8 | -17 | 0 | 0 | 0 | 122.9 | ||||
| 388 | Y | 27.2 | Very low | 31.7 | Very low | 177 Ų | 177 | 148.2 Ų | 148.2 | 69% | 0.694 | 75% | 0.752 | S | S | * | * | cis | -163.8 | 109.3 | -33.9 | -172.6 | -82.9 | 0 | 0 | 0 | 110.9 | ||||
| 389 | V | 31.2 | Very low | 32.6 | Very low | 110 Ų | 110 | 146.7 Ų | 146.7 | 67% | 0.667 | 75% | 0.751 | S | S | * | * | trans | 37 | 160.3 | 142.4 | -142.3 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 390 | D | 30.5 | Very low | 33.8 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 58% | 0.583 | 75% | 0.748 | S | S | * | * | trans | 95.2 | 73.1 | 151.3 | -65.6 | -45.3 | 0 | 0 | 0 | 121.7 | ||||
| 391 | R | 34.8 | Very low | 34.8 | Very low | 224 Ų | 224 | 143.6 Ų | 143.6 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | -166 | 142.5 | 103.7 | -121.2 | 156.3 | -63.6 | 168 | 7.3 | 116.4 | |||||
| 392 | E | 30.3 | Very low | 36.1 | Very low | 183 Ų | 183 | 141.3 Ų | 141.3 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | trans | -95.2 | 149.4 | 155.1 | -56.1 | 174.7 | 153.4 | 0 | 0 | 108.7 | ||||
| 393 | E | 35 | Very low | 37.9 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | trans | -160.2 | 148.5 | 153.7 | -116.6 | 161.9 | -139.1 | 0 | 0 | 109.6 | ||||
| 394 | E | 33.7 | Very low | 39.2 | Very low | 194 Ų | 194 | 138.6 Ų | 138.6 | 91% | 0.907 | 72% | 0.719 | S | S | * | * | trans | -79.5 | 132.6 | -153.1 | -58.1 | 165.2 | 116.8 | 0 | 0 | 115.6 | ||||
| 395 | E | 33.3 | Very low | 41.1 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 88% | 0.883 | 71% | 0.709 | S | S | * | * | trans | -86.6 | 105.3 | 155.1 | -78 | -164.7 | 156.7 | 0 | 0 | 110.3 | ||||
| 396 | G | 32.1 | Very low | 43.1 | Very low | 76 Ų | 76 | 132.1 Ų | 132.1 | 78% | 0.784 | 69% | 0.692 | S | S | * | * | trans | -99.1 | 71.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D398 | G396-D398 PolarHBondContact O-N 3.45Š| ||
| 397 | E | 35.7 | Very low | 45.4 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 84% | 0.836 | 68% | 0.684 | S | S | * | * | trans | -76.8 | 103.8 | 178.1 | -73.8 | -145 | 134.7 | 0 | 0 | 113.7 | ||||
| 398 | D | 35.5 | Very low | 47.3 | Very low | 143 Ų | 143 | 131 Ų | 131 | 77% | 0.765 | 67% | 0.67 | S | S | * | * | trans | 18.9 | 108.7 | 152.7 | -78.6 | -36.9 | 0 | 0 | 0 | 120 | G396 T400 | G396-D398 PolarHBondContact O-N 3.45Å; D398-T400 PolarHBondContact O-N 3.47Å | ||
| 399 | N | 42.1 | Very low | 50 | Low | 139 Ų | 139 | 127.7 Ų | 127.7 | 74% | 0.743 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | 25 | 176.8 | -71.2 | -51.2 | 0 | 0 | 0 | 117 | L401 S402 H403 | N399-L401 PolarHBondContact O-N 2.81Å; N399-S402 PolarHBondContact O-N 3.15Å; N399-H403 PolarHBondContact O-N 2.77Å; N399-H403 VanDerWaalsContact O-N 3.11Å |
| 400 | T | 50.6 | Low | 52.6 | Low | 83 Ų | 83 | 129.4 Ų | 129.4 | 51% | 0.509 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -63.9 | -43 | -175.6 | -51.2 | 0 | 0 | 0 | 0 | 112.2 | D398 S402 H403 D404 | D398-T400 PolarHBondContact O-N 3.47Å; T400-S402 PolarHBondContact O-N 3.16Å; T400-H403 WeakPolarHBondContact O-CB 3.46Å; T400-H403 PolarHBondContact O-N 3.28Å; T400-D404 PolarHBondContact O-N 3.48Å |
| 401 | L | 46.9 | Very low | 55.1 | Low | 138 Ų | 138 | 126.2 Ų | 126.2 | 72% | 0.723 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.8 | -38.4 | -178.9 | -156.2 | 81.5 | 0 | 0 | 0 | 112.4 | N399 H403 D404 L405 | N399-L401 PolarHBondContact O-N 2.81Å; L401-H403 VanDerWaalsContact C-N 3.33Å; L401-D404 PolarHBondContact O-N 2.93Å; L401-L405 WeakPolarHBondContact O-CB 3.46Å; L401-L405 PolarHBondContact O-N 3.16Å |
| 402 | S | 58.2 | Low | 57.5 | Low | 78 Ų | 78 | 119.9 Ų | 119.9 | 55% | 0.545 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.1 | -37.4 | 174.5 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | N399 T400 A406 | N399-S402 PolarHBondContact O-N 3.15Å; T400-S402 PolarHBondContact O-N 3.16Å; S402-A406 VanDerWaalsContact O-CB 3.28Å; S402-A406 WeakPolarHBondContact O-CB 3.28Å; S402-A406 PolarHBondContact O-N 3.43Å |
| 403 | H | 67.6 | Low | 60.2 | Low | 112 Ų | 112 | 113.3 Ų | 113.3 | 52% | 0.519 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.6 | -38.3 | 174.8 | 178.7 | -141.3 | 0 | 0 | 0 | 112.6 | N399 T400 L401 A406 K407 | N399-H403 PolarHBondContact O-N 2.77Å; N399-H403 VanDerWaalsContact O-N 3.11Å; T400-H403 WeakPolarHBondContact O-CB 3.46Å; T400-H403 PolarHBondContact O-N 3.28Å; L401-H403 VanDerWaalsContact C-N 3.33Å; H403-A406 PolarHBondContact O-N 3.05Å; H403-K407 WeakPolarHBondContact CE1-CE 3.31Å; H403-K407 WeakPolarHBondContact NE2-CE 3.23Å; H403-K407 WeakPolarHBondContact O-CG 3.42Å; H403-K407 PolarHBondContact O-N 3.47Å |
| 404 | D | 63.2 | Low | 62.7 | Low | 74 Ų | 74 | 109.3 Ų | 109.3 | 40% | 0.396 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -75.7 | -33.6 | 177.5 | -76.8 | -16.9 | 0 | 0 | 0 | 113.2 | T400 L401 K407 L408 | T400-D404 PolarHBondContact O-N 3.48Å; L401-D404 PolarHBondContact O-N 2.93Å; D404-K407 WeakPolarHBondContact O-CB 3.35Å; D404-K407 PolarHBondContact O-N 3.3Å; D404-K407 WeakPolarHBondContact OD1-CD 3.39Å; D404-K407 VanDerWaalsContact OD1-CE 3.26Å; D404-K407 WeakPolarHBondContact OD1-CE 3.35Å; D404-K407 IonicContact OD1-NZ 3.1Å; D404-K407 PolarHBondContact OD1-NZ 3.26Å; D404-L408 PolarHBondContact O-N 2.93Å |
| 405 | L | 71.9 | Confident | 65.2 | Low | 100 Ų | 100 | 104.8 Ų | 104.8 | 52% | 0.524 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.5 | -45.1 | 165.3 | -79.4 | 165.8 | 0 | 0 | 0 | 111.2 | L401 K407 L408 D409 | L401-L405 WeakPolarHBondContact O-CB 3.46Å; L401-L405 PolarHBondContact O-N 3.16Å; L405-K407 VanDerWaalsContact C-N 3.29Å; L405-K407 PolarHBondContact O-N 3.45Å; L405-L408 WeakPolarHBondContact O-CA 3.17Å; L405-L408 WeakPolarHBondContact O-CB 3.49Å; L405-L408 PolarHBondContact O-N 3.35Å; L405-D409 PolarHBondContact O-N 3.41Å |
| 406 | A | 76 | Confident | 67.7 | Low | 55 Ų | 55 | 98.7 Ų | 98.7 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.9 | -30.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | S402 H403 K410 | S402-A406 VanDerWaalsContact O-CB 3.28Å; S402-A406 WeakPolarHBondContact O-CB 3.28Å; S402-A406 PolarHBondContact O-N 3.43Å; H403-A406 PolarHBondContact O-N 3.05Å; A406-K410 WeakPolarHBondContact O-CB 3.27Å; A406-K410 PolarHBondContact O-N 3.02Å |
| 407 | K | 80.3 | Confident | 70.3 | Confident | 103 Ų | 103 | 98.7 Ų | 98.7 | 45% | 0.448 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 168.6 | -73 | 174.1 | -160.3 | 161.2 | 0 | 111.7 | H403 D404 L405 K410 A411 | H403-K407 WeakPolarHBondContact CE1-CE 3.31Å; H403-K407 WeakPolarHBondContact NE2-CE 3.23Å; H403-K407 WeakPolarHBondContact O-CG 3.42Å; H403-K407 PolarHBondContact O-N 3.47Å; D404-K407 WeakPolarHBondContact O-CB 3.35Å; D404-K407 PolarHBondContact O-N 3.3Å; D404-K407 WeakPolarHBondContact OD1-CD 3.39Å; D404-K407 VanDerWaalsContact OD1-CE 3.26Å; D404-K407 WeakPolarHBondContact OD1-CE 3.35Å; D404-K407 IonicContact OD1-NZ 3.1Å; D404-K407 PolarHBondContact OD1-NZ 3.26Å; L405-K407 VanDerWaalsContact C-N 3.29Å; L405-K407 PolarHBondContact O-N 3.45Å; K407-K410 CarbonylContact O-C 3.5Å; K407-K410 PolarHBondContact O-N 3.43Å; K407-A411 WeakPolarHBondContact O-CB 3.33Å; K407-A411 PolarHBondContact O-N 3.34Å |
| 408 | L | 76.5 | Confident | 72.7 | Confident | 100 Ų | 100 | 92.4 Ų | 92.4 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.5 | -47.3 | -179.8 | -174.5 | 61.5 | 0 | 0 | 0 | 111.3 | D404 L405 K410 A411 I412 | D404-L408 PolarHBondContact O-N 2.93Å; L405-L408 WeakPolarHBondContact O-CA 3.17Å; L405-L408 WeakPolarHBondContact O-CB 3.49Å; L405-L408 PolarHBondContact O-N 3.35Å; L408-K410 VanDerWaalsContact C-N 3.3Å; L408-K410 PolarHBondContact O-N 2.86Å; L408-A411 CarbonylContact O-C 3.45Å; L408-A411 WeakPolarHBondContact O-CA 3.45Å; L408-A411 WeakPolarHBondContact O-CB 3.3Å; L408-A411 PolarHBondContact O-N 2.91Å; L408-I412 HydrophobicContact CG-CD1 4.2Å; L408-I412 WeakPolarHBondContact O-CG1 3.27Å; L408-I412 PolarHBondContact O-N 3.11Å |
| 409 | D | 85.2 | Confident | 75.2 | Confident | 109 Ų | 109 | 91.2 Ų | 91.2 | 58% | 0.583 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.1 | -40.6 | 172.8 | -81.2 | -20.7 | 0 | 0 | 0 | 111.5 | L405 A411 I412 A413 | L405-D409 PolarHBondContact O-N 3.41Å; D409-A411 VanDerWaalsContact C-N 3.31Å; D409-A411 PolarHBondContact O-N 2.81Å; D409-I412 PolarHBondContact O-N 2.95Å; D409-A413 VanDerWaalsContact O-CB 3.24Å; D409-A413 WeakPolarHBondContact O-CB 3.17Å; D409-A413 PolarHBondContact O-N 3.27Å |
| 410 | K | 84.7 | Confident | 77.4 | Confident | 145 Ų | 145 | 89.9 Ų | 89.9 | 63% | 0.63 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.8 | -31.3 | 174.4 | -169.6 | 171.8 | -174.1 | 174.5 | 0 | 112.4 | A406 K407 L408 N414 | A406-K410 WeakPolarHBondContact O-CB 3.27Å; A406-K410 PolarHBondContact O-N 3.02Å; K407-K410 CarbonylContact O-C 3.5Å; K407-K410 PolarHBondContact O-N 3.43Å; L408-K410 VanDerWaalsContact C-N 3.3Å; L408-K410 PolarHBondContact O-N 2.86Å; K410-N414 VanDerWaalsContact O-CB 3.32Å; K410-N414 WeakPolarHBondContact O-CB 3.1Å; K410-N414 PolarHBondContact O-N 3.31Å; K410-N414 PolarHBondContact O-ND2 3.15Å; K410-N414 VanDerWaalsContact O-ND2 3.15Å |
| 411 | A | 83.9 | Confident | 79.3 | Confident | 43 Ų | 43 | 89.3 Ų | 89.3 | 36% | 0.355 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.2 | -42.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K407 L408 D409 N414 V415 | K407-A411 WeakPolarHBondContact O-CB 3.33Å; K407-A411 PolarHBondContact O-N 3.34Å; L408-A411 CarbonylContact O-C 3.45Å; L408-A411 WeakPolarHBondContact O-CA 3.45Å; L408-A411 WeakPolarHBondContact O-CB 3.3Å; L408-A411 PolarHBondContact O-N 2.91Å; D409-A411 VanDerWaalsContact C-N 3.31Å; D409-A411 PolarHBondContact O-N 2.81Å; A411-N414 WeakPolarHBondContact O-CB 3.37Å; A411-N414 PolarHBondContact O-N 3.49Å; A411-V415 WeakPolarHBondContact O-CG2 3.37Å; A411-V415 PolarHBondContact O-N 3.47Å |
| 412 | I | 86 | Confident | 81.2 | Confident | 90 Ų | 90 | 88.6 Ų | 88.6 | 46% | 0.462 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 172.9 | -67.5 | 164.9 | 0 | 0 | 0 | 109.8 | L408 D409 N414 V415 T416 | L408-I412 HydrophobicContact CG-CD1 4.2Å; L408-I412 WeakPolarHBondContact O-CG1 3.27Å; L408-I412 PolarHBondContact O-N 3.11Å; D409-I412 PolarHBondContact O-N 2.95Å; I412-N414 VanDerWaalsContact C-N 3.32Å; I412-N414 PolarHBondContact O-N 2.79Å; I412-V415 PolarHBondContact O-N 3.12Å; I412-V415 VanDerWaalsContact O-N 3.11Å; I412-T416 PolarHBondContact O-N 3.49Å; I412-T416 PolarHBondContact O-OG1 3.46Å; I412-T416 VanDerWaalsContact O-OG1 3.09Å |
| 413 | A | 85.2 | Confident | 82.4 | Confident | 46 Ų | 46 | 88.3 Ų | 88.3 | 38% | 0.38 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.4 | -38.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D409 T416 T417 | D409-A413 VanDerWaalsContact O-CB 3.24Å; D409-A413 WeakPolarHBondContact O-CB 3.17Å; D409-A413 PolarHBondContact O-N 3.27Å; A413-T416 WeakPolarHBondContact CA-OG1 3.45Å; A413-T416 PolarHBondContact O-OG1 3.43Å; A413-T417 WeakPolarHBondContact O-CB 2.74Å; A413-T417 PolarHBondContact O-N 3.31Å; A413-T417 PolarHBondContact O-OG1 2.93Å |
| 414 | N | 89 | Confident | 83.5 | Confident | 100 Ų | 100 | 87.6 Ų | 87.6 | 54% | 0.535 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.1 | -38.7 | 173.5 | -74.8 | -24.1 | 0 | 0 | 0 | 112.1 | K410 A411 I412 T417 A418 | K410-N414 VanDerWaalsContact O-CB 3.32Å; K410-N414 WeakPolarHBondContact O-CB 3.1Å; K410-N414 PolarHBondContact O-N 3.31Å; K410-N414 PolarHBondContact O-ND2 3.15Å; K410-N414 VanDerWaalsContact O-ND2 3.15Å; A411-N414 WeakPolarHBondContact O-CB 3.37Å; A411-N414 PolarHBondContact O-N 3.49Å; I412-N414 VanDerWaalsContact C-N 3.32Å; I412-N414 PolarHBondContact O-N 2.79Å; N414-T417 PolarHBondContact O-N 3.42Å; N414-A418 WeakPolarHBondContact O-CB 3.41Å; N414-A418 PolarHBondContact O-N 3.42Å |
| 415 | V | 85.9 | Confident | 84.8 | Confident | 99 Ų | 99 | 89.1 Ų | 89.1 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -69.3 | -47.4 | 177.4 | 170.2 | 0 | 0 | 0 | 0 | 111 | A411 I412 T417 A418 E419 | A411-V415 WeakPolarHBondContact O-CG2 3.37Å; A411-V415 PolarHBondContact O-N 3.47Å; I412-V415 PolarHBondContact O-N 3.12Å; I412-V415 VanDerWaalsContact O-N 3.11Å; V415-T417 VanDerWaalsContact C-N 3.28Å; V415-T417 PolarHBondContact O-N 3.16Å; V415-A418 CarbonylContact O-C 3.52Å; V415-A418 WeakPolarHBondContact O-CA 3.31Å; V415-A418 WeakPolarHBondContact O-CB 3.43Å; V415-A418 PolarHBondContact O-N 2.87Å; V415-A418 VanDerWaalsContact O-N 3.08Å; V415-E419 PolarHBondContact O-N 3.35Å |
| 416 | T | 85.1 | Confident | 85.5 | Confident | 60 Ų | 60 | 89 Ų | 89 | 37% | 0.368 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.1 | -34.5 | 173.5 | 51.8 | 0 | 0 | 0 | 0 | 111.5 | I412 A413 E419 I420 | I412-T416 PolarHBondContact O-N 3.49Å; I412-T416 PolarHBondContact O-OG1 3.46Å; I412-T416 VanDerWaalsContact O-OG1 3.09Å; A413-T416 WeakPolarHBondContact CA-OG1 3.45Å; A413-T416 PolarHBondContact O-OG1 3.43Å; T416-E419 PolarHBondContact O-N 3.23Å; T416-I420 WeakPolarHBondContact O-CB 3.3Å; T416-I420 WeakPolarHBondContact O-CD1 3.37Å; T416-I420 WeakPolarHBondContact O-CG1 3.48Å; T416-I420 PolarHBondContact O-N 2.97Å |
| 417 | T | 87.3 | Confident | 86.2 | Confident | 76 Ų | 76 | 91.3 Ų | 91.3 | 47% | 0.466 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.4 | -41 | 171.2 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | A413 N414 V415 I420 V421 | A413-T417 WeakPolarHBondContact O-CB 2.74Å; A413-T417 PolarHBondContact O-N 3.31Å; A413-T417 PolarHBondContact O-OG1 2.93Å; N414-T417 PolarHBondContact O-N 3.42Å; V415-T417 VanDerWaalsContact C-N 3.28Å; V415-T417 PolarHBondContact O-N 3.16Å; T417-I420 PolarHBondContact O-N 3.43Å; T417-V421 HydrophobicContact CG2-CG2 4.48Å; T417-V421 WeakPolarHBondContact O-CB 3.38Å; T417-V421 VanDerWaalsContact O-CG2 3.22Å; T417-V421 WeakPolarHBondContact O-CG2 3.5Å; T417-V421 PolarHBondContact O-N 2.93Å |
| 418 | A | 85.2 | Confident | 86.4 | Confident | 47 Ų | 47 | 90.9 Ų | 90.9 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.1 | -38.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N414 V415 V421 L422 | N414-A418 WeakPolarHBondContact O-CB 3.41Å; N414-A418 PolarHBondContact O-N 3.42Å; V415-A418 CarbonylContact O-C 3.52Å; V415-A418 WeakPolarHBondContact O-CA 3.31Å; V415-A418 WeakPolarHBondContact O-CB 3.43Å; V415-A418 PolarHBondContact O-N 2.87Å; V415-A418 VanDerWaalsContact O-N 3.08Å; A418-V421 CarbonylContact O-C 3.41Å; A418-V421 PolarHBondContact O-N 2.87Å; A418-L422 WeakPolarHBondContact O-CB 3.36Å; A418-L422 VanDerWaalsContact O-CG 3.25Å; A418-L422 WeakPolarHBondContact O-CG 3.16Å; A418-L422 PolarHBondContact O-N 3.31Å |
| 419 | E | 88.1 | Confident | 86.8 | Confident | 119 Ų | 119 | 88.8 Ų | 88.8 | 56% | 0.556 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.7 | -43.1 | 175 | -173.7 | 174.6 | -154.9 | 0 | 0 | 112.1 | V415 T416 V421 L422 T423 | V415-E419 PolarHBondContact O-N 3.35Å; T416-E419 PolarHBondContact O-N 3.23Å; E419-V421 VanDerWaalsContact C-N 3.3Å; E419-V421 PolarHBondContact O-N 3.17Å; E419-L422 PolarHBondContact O-N 3.2Å; E419-T423 WeakPolarHBondContact O-CB 3.48Å; E419-T423 WeakPolarHBondContact O-CG2 3.39Å; E419-T423 PolarHBondContact O-N 3.37Å; E419-T423 PolarHBondContact O-OG1 2.97Å |
| 420 | I | 89.4 | Confident | 87 | Confident | 110 Ų | 110 | 88.8 Ų | 88.8 | 56% | 0.564 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.7 | -37.9 | 171.7 | -69.9 | 164.9 | 0 | 0 | 0 | 110.5 | T416 T417 T423 H424 | T416-I420 WeakPolarHBondContact O-CB 3.3Å; T416-I420 WeakPolarHBondContact O-CD1 3.37Å; T416-I420 WeakPolarHBondContact O-CG1 3.48Å; T416-I420 PolarHBondContact O-N 2.97Å; T417-I420 PolarHBondContact O-N 3.43Å; I420-T423 WeakPolarHBondContact CA-OG1 3.31Å; I420-T423 PolarHBondContact O-OG1 2.76Å; I420-T423 VanDerWaalsContact O-OG1 3.13Å; I420-H424 WeakPolarHBondContact O-CB 3.33Å; I420-H424 PolarHBondContact O-N 3.41Å |
| 421 | V | 90.3 | Very high | 87.1 | Confident | 72 Ų | 72 | 87.1 Ų | 87.1 | 44% | 0.436 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.2 | -43 | 173.2 | 165 | 0 | 0 | 0 | 0 | 111.2 | T417 A418 E419 H424 Q425 | T417-V421 HydrophobicContact CG2-CG2 4.48Å; T417-V421 WeakPolarHBondContact O-CB 3.38Å; T417-V421 VanDerWaalsContact O-CG2 3.22Å; T417-V421 WeakPolarHBondContact O-CG2 3.5Å; T417-V421 PolarHBondContact O-N 2.93Å; A418-V421 CarbonylContact O-C 3.41Å; A418-V421 PolarHBondContact O-N 2.87Å; E419-V421 VanDerWaalsContact C-N 3.3Å; E419-V421 PolarHBondContact O-N 3.17Å; V421-H424 PolarHBondContact O-N 2.73Å; V421-Q425 HydrophobicContact CG1-CG 4.16Å; V421-Q425 VanDerWaalsContact O-CB 3.29Å; V421-Q425 WeakPolarHBondContact O-CB 3.3Å; V421-Q425 WeakPolarHBondContact O-CG 3.32Å; V421-Q425 PolarHBondContact O-N 3.39Å |
| 422 | L | 87.3 | Confident | 87.1 | Confident | 123 Ų | 123 | 87.3 Ų | 87.3 | 64% | 0.644 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.8 | -44.2 | -179.6 | -77.2 | 167.7 | 0 | 0 | 0 | 112.2 | A418 E419 Q425 L426 | A418-L422 WeakPolarHBondContact O-CB 3.36Å; A418-L422 VanDerWaalsContact O-CG 3.25Å; A418-L422 WeakPolarHBondContact O-CG 3.16Å; A418-L422 PolarHBondContact O-N 3.31Å; E419-L422 PolarHBondContact O-N 3.2Å; L422-Q425 PolarHBondContact O-N 3.45Å; L422-L426 WeakPolarHBondContact O-CB 3.23Å; L422-L426 PolarHBondContact O-N 2.77Å |
| 423 | T | 82.5 | Confident | 87 | Confident | 71 Ų | 71 | 87.2 Ų | 87.2 | 44% | 0.436 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 173.4 | 49.4 | 0 | 0 | 0 | 0 | 111.4 | E419 I420 Q425 L426 D427 | E419-T423 WeakPolarHBondContact O-CB 3.48Å; E419-T423 WeakPolarHBondContact O-CG2 3.39Å; E419-T423 PolarHBondContact O-N 3.37Å; E419-T423 PolarHBondContact O-OG1 2.97Å; I420-T423 WeakPolarHBondContact CA-OG1 3.31Å; I420-T423 PolarHBondContact O-OG1 2.76Å; I420-T423 VanDerWaalsContact O-OG1 3.13Å; T423-Q425 VanDerWaalsContact C-N 3.33Å; T423-Q425 PolarHBondContact O-N 3.4Å; T423-L426 WeakPolarHBondContact O-CB 3.18Å; T423-L426 PolarHBondContact O-N 2.76Å; T423-D427 PolarHBondContact O-N 3.12Å |
| 424 | H | 89.6 | Confident | 86.6 | Confident | 98 Ų | 98 | 86.4 Ų | 86.4 | 45% | 0.454 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.2 | -32.5 | 172.7 | -179.8 | -168.2 | 0 | 0 | 0 | 113.1 | I420 V421 K428 | I420-H424 WeakPolarHBondContact O-CB 3.33Å; I420-H424 PolarHBondContact O-N 3.41Å; V421-H424 PolarHBondContact O-N 2.73Å; H424-K428 PolarHBondContact CE1-NZ 3.08Å; H424-K428 WeakPolarHBondContact NE2-CE 3.25Å; H424-K428 PolarHBondContact NE2-NZ 3.27Å; H424-K428 VanDerWaalsContact NE2-NZ 3.12Å; H424-K428 WeakPolarHBondContact O-CB 2.97Å; H424-K428 WeakPolarHBondContact O-CD 3.18Å; H424-K428 VanDerWaalsContact O-CG 3.27Å; H424-K428 WeakPolarHBondContact O-CG 3.1Å; H424-K428 PolarHBondContact O-N 2.76Å |
| 425 | Q | 90.5 | Very high | 86.3 | Confident | 106 Ų | 106 | 84.3 Ų | 84.3 | 50% | 0.495 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -74.5 | -33.2 | 173.8 | -69.5 | -80.5 | 67.8 | 0 | 0 | 111.6 | V421 L422 T423 K428 A429 | V421-Q425 HydrophobicContact CG1-CG 4.16Å; V421-Q425 VanDerWaalsContact O-CB 3.29Å; V421-Q425 WeakPolarHBondContact O-CB 3.3Å; V421-Q425 WeakPolarHBondContact O-CG 3.32Å; V421-Q425 PolarHBondContact O-N 3.39Å; L422-Q425 PolarHBondContact O-N 3.45Å; T423-Q425 VanDerWaalsContact C-N 3.33Å; T423-Q425 PolarHBondContact O-N 3.4Å; Q425-K428 PolarHBondContact O-N 3.1Å; Q425-A429 WeakPolarHBondContact O-CB 3.39Å; Q425-A429 PolarHBondContact O-N 2.81Å |
| 426 | L | 88.3 | Confident | 86.2 | Confident | 98 Ų | 98 | 84 Ų | 84 | 51% | 0.513 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.5 | -46.4 | 171.2 | -176.8 | 63.3 | 0 | 0 | 0 | 111 | L422 T423 K428 A429 Q430 | L422-L426 WeakPolarHBondContact O-CB 3.23Å; L422-L426 PolarHBondContact O-N 2.77Å; T423-L426 WeakPolarHBondContact O-CB 3.18Å; T423-L426 PolarHBondContact O-N 2.76Å; L426-K428 VanDerWaalsContact C-N 3.32Å; L426-K428 PolarHBondContact O-N 3.32Å; L426-A429 WeakPolarHBondContact O-CB 3.44Å; L426-A429 PolarHBondContact O-N 3.49Å; L426-A429 VanDerWaalsContact O-N 3.1Å; L426-Q430 WeakPolarHBondContact O-CG 3.42Å; L426-Q430 PolarHBondContact O-N 3.01Å |
| 427 | D | 90 | Very high | 86.1 | Confident | 103 Ų | 103 | 88.6 Ų | 88.6 | 55% | 0.551 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60 | -41.2 | 172.8 | -83.6 | -9 | 0 | 0 | 0 | 111.7 | T423 L431 | T423-D427 PolarHBondContact O-N 3.12Å; D427-L431 WeakPolarHBondContact O-CB 3.16Å; D427-L431 PolarHBondContact O-N 3.24Å |
| 428 | K | 84.8 | Confident | 85.8 | Confident | 93 Ų | 93 | 92.3 Ų | 92.3 | 40% | 0.404 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 171.9 | -82.8 | 165 | 172.7 | 151.2 | 0 | 112.3 | H424 Q425 L426 L431 A432 | H424-K428 PolarHBondContact CE1-NZ 3.08Å; H424-K428 WeakPolarHBondContact NE2-CE 3.25Å; H424-K428 PolarHBondContact NE2-NZ 3.27Å; H424-K428 VanDerWaalsContact NE2-NZ 3.12Å; H424-K428 WeakPolarHBondContact O-CB 2.97Å; H424-K428 WeakPolarHBondContact O-CD 3.18Å; H424-K428 VanDerWaalsContact O-CG 3.27Å; H424-K428 WeakPolarHBondContact O-CG 3.1Å; H424-K428 PolarHBondContact O-N 2.76Å; Q425-K428 PolarHBondContact O-N 3.1Å; L426-K428 VanDerWaalsContact C-N 3.32Å; L426-K428 PolarHBondContact O-N 3.32Å; K428-L431 PolarHBondContact O-N 2.88Å; K428-A432 WeakPolarHBondContact O-CB 3.31Å; K428-A432 PolarHBondContact O-N 3.28Å |
| 429 | A | 83.7 | Confident | 85.6 | Confident | 56 Ų | 56 | 97.2 Ų | 97.2 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.6 | -46.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111 | Q425 L426 A432 E433 | Q425-A429 WeakPolarHBondContact O-CB 3.39Å; Q425-A429 PolarHBondContact O-N 2.81Å; L426-A429 WeakPolarHBondContact O-CB 3.44Å; L426-A429 PolarHBondContact O-N 3.49Å; L426-A429 VanDerWaalsContact O-N 3.1Å; A429-A432 PolarHBondContact O-N 3Å; A429-E433 WeakPolarHBondContact O-CB 3.42Å; A429-E433 PolarHBondContact O-N 3.05Å |
| 430 | Q | 89.4 | Confident | 84.9 | Confident | 109 Ų | 109 | 96.6 Ų | 96.6 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 174.5 | -68.4 | -174.1 | 23.5 | 0 | 0 | 112 | L426 E433 A434 | L426-Q430 WeakPolarHBondContact O-CG 3.42Å; L426-Q430 PolarHBondContact O-N 3.01Å; Q430-E433 PolarHBondContact O-N 2.95Å; Q430-A434 WeakPolarHBondContact O-CB 3.37Å; Q430-A434 PolarHBondContact O-N 3Å |
| 431 | L | 87.4 | Confident | 84.1 | Confident | 111 Ų | 111 | 95.3 Ų | 95.3 | 58% | 0.581 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -69.2 | -37.4 | 175.2 | -175.8 | 62.6 | 0 | 0 | 0 | 111.6 | D427 K428 A434 S435 | D427-L431 WeakPolarHBondContact O-CB 3.16Å; D427-L431 PolarHBondContact O-N 3.24Å; K428-L431 PolarHBondContact O-N 2.88Å; L431-A434 CarbonylContact O-C 3.56Å; L431-A434 PolarHBondContact O-N 3.4Å; L431-S435 VanDerWaalsContact O-CB 3.32Å; L431-S435 WeakPolarHBondContact O-CB 3.29Å; L431-S435 PolarHBondContact O-N 3.16Å |
| 432 | A | 84.1 | Confident | 83.1 | Confident | 46 Ų | 46 | 99.6 Ų | 99.6 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66 | -43.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | K428 A429 S435 L436 | K428-A432 WeakPolarHBondContact O-CB 3.31Å; K428-A432 PolarHBondContact O-N 3.28Å; A429-A432 PolarHBondContact O-N 3Å; A432-S435 CarbonylContact O-C 3.58Å; A432-S435 WeakPolarHBondContact O-CA 3.38Å; A432-S435 WeakPolarHBondContact O-CB 3.44Å; A432-S435 PolarHBondContact O-N 3.15Å; A432-S435 VanDerWaalsContact O-N 3.09Å; A432-S435 PolarHBondContact O-OG 3.23Å; A432-L436 WeakPolarHBondContact O-CG 3.48Å; A432-L436 PolarHBondContact O-N 2.79Å |
| 433 | E | 83.4 | Confident | 82.4 | Confident | 88 Ų | 88 | 98.3 Ų | 98.3 | 41% | 0.411 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 173.9 | -160.1 | -153.2 | 145.4 | 0 | 0 | 111.2 | A429 Q430 S435 L436 R437 | A429-E433 WeakPolarHBondContact O-CB 3.42Å; A429-E433 PolarHBondContact O-N 3.05Å; Q430-E433 PolarHBondContact O-N 2.95Å; E433-S435 PolarHBondContact O-N 2.77Å; E433-L436 CarbonylContact O-C 3.57Å; E433-L436 PolarHBondContact O-N 2.9Å; E433-R437 WeakPolarHBondContact O-CB 3.46Å; E433-R437 WeakPolarHBondContact O-CG 3.26Å; E433-R437 PolarHBondContact O-N 3.07Å; E433-R437 IonicContact OE1-CZ 3.21Å; E433-R437 IonicContact OE1-NE 2.82Å; E433-R437 PolarHBondContact OE1-NE 2.87Å; E433-R437 IonicContact OE1-NH2 2.96Å; E433-R437 PolarHBondContact OE1-NH2 3.41Å |
| 434 | A | 77.4 | Confident | 81.6 | Confident | 30 Ų | 30 | 101.4 Ų | 101.4 | 25% | 0.248 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -65.7 | -21.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q430 L431 R438 | Q430-A434 WeakPolarHBondContact O-CB 3.37Å; Q430-A434 PolarHBondContact O-N 3Å; L431-A434 CarbonylContact O-C 3.56Å; L431-A434 PolarHBondContact O-N 3.4Å; A434-R438 VanDerWaalsContact O-CB 3.29Å; A434-R438 WeakPolarHBondContact O-CB 3.2Å; A434-R438 VanDerWaalsContact O-CG 3.29Å; A434-R438 WeakPolarHBondContact O-CG 3.32Å; A434-R438 PolarHBondContact O-N 2.68Å; A434-R438 PolarHBondContact O-NE 2.84Å |
| 435 | S | 83 | Confident | 79.8 | Confident | 55 Ų | 55 | 103.2 Ų | 103.2 | 39% | 0.385 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -76.9 | -41.2 | 168.9 | 92.7 | 0 | 0 | 0 | 0 | 111 | L431 A432 E433 R438 R439 | L431-S435 VanDerWaalsContact O-CB 3.32Å; L431-S435 WeakPolarHBondContact O-CB 3.29Å; L431-S435 PolarHBondContact O-N 3.16Å; A432-S435 CarbonylContact O-C 3.58Å; A432-S435 WeakPolarHBondContact O-CA 3.38Å; A432-S435 WeakPolarHBondContact O-CB 3.44Å; A432-S435 PolarHBondContact O-N 3.15Å; A432-S435 VanDerWaalsContact O-N 3.09Å; A432-S435 PolarHBondContact O-OG 3.23Å; E433-S435 PolarHBondContact O-N 2.77Å; S435-R438 CarbonylContact O-C 3.58Å; S435-R438 PolarHBondContact O-N 3.02Å; S435-R439 VanDerWaalsContact O-CB 3.27Å; S435-R439 WeakPolarHBondContact O-CB 3.48Å; S435-R439 PolarHBondContact O-N 2.77Å |
| 436 | L | 82.5 | Confident | 78.3 | Confident | 94 Ų | 94 | 99.7 Ų | 99.7 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67 | -44.4 | 176.7 | -73.8 | 168.6 | 0 | 0 | 0 | 111.4 | A432 E433 R438 R439 L440 | A432-L436 WeakPolarHBondContact O-CG 3.48Å; A432-L436 PolarHBondContact O-N 2.79Å; E433-L436 CarbonylContact O-C 3.57Å; E433-L436 PolarHBondContact O-N 2.9Å; L436-R438 VanDerWaalsContact C-N 3.34Å; L436-R438 PolarHBondContact O-N 3.27Å; L436-R439 CarbonylContact O-C 3.58Å; L436-R439 WeakPolarHBondContact O-CA 3.27Å; L436-R439 WeakPolarHBondContact O-CB 3.32Å; L436-R439 PolarHBondContact O-N 3.26Å; L436-R439 VanDerWaalsContact O-N 3.07Å; L436-L440 WeakPolarHBondContact O-CB 3.09Å; L436-L440 PolarHBondContact O-N 3.38Å |
| 437 | R | 83.4 | Confident | 76.6 | Confident | 156 Ų | 156 | 97.4 Ų | 97.4 | 59% | 0.589 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.3 | -44.3 | 170 | -69.6 | -179.1 | -176.9 | -120.7 | 6.4 | 111.1 | E433 R439 I441 | E433-R437 WeakPolarHBondContact O-CB 3.46Å; E433-R437 WeakPolarHBondContact O-CG 3.26Å; E433-R437 PolarHBondContact O-N 3.07Å; E433-R437 IonicContact OE1-CZ 3.21Å; E433-R437 IonicContact OE1-NE 2.82Å; E433-R437 PolarHBondContact OE1-NE 2.87Å; E433-R437 IonicContact OE1-NH2 2.96Å; E433-R437 PolarHBondContact OE1-NH2 3.41Å; R437-R439 VanDerWaalsContact C-N 3.31Å; R437-R439 PolarHBondContact O-N 2.92Å; R437-I441 WeakPolarHBondContact O-CB 3.43Å; R437-I441 WeakPolarHBondContact O-CD1 3.01Å; R437-I441 VanDerWaalsContact O-CG1 3.22Å; R437-I441 WeakPolarHBondContact O-CG1 3.21Å; R437-I441 PolarHBondContact O-N 2.84Å |
| 438 | R | 81 | Confident | 74.3 | Confident | 154 Ų | 154 | 99.7 Ų | 99.7 | 58% | 0.581 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.6 | -26.2 | 174 | -79.5 | -178.9 | -85.6 | -157.6 | -3.9 | 113.4 | A434 S435 L436 K442 | A434-R438 VanDerWaalsContact O-CB 3.29Å; A434-R438 WeakPolarHBondContact O-CB 3.2Å; A434-R438 VanDerWaalsContact O-CG 3.29Å; A434-R438 WeakPolarHBondContact O-CG 3.32Å; A434-R438 PolarHBondContact O-N 2.68Å; A434-R438 PolarHBondContact O-NE 2.84Å; S435-R438 CarbonylContact O-C 3.58Å; S435-R438 PolarHBondContact O-N 3.02Å; L436-R438 VanDerWaalsContact C-N 3.34Å; L436-R438 PolarHBondContact O-N 3.27Å; R438-K442 WeakPolarHBondContact O-CB 3.37Å; R438-K442 PolarHBondContact O-N 2.99Å |
| 439 | R | 80.8 | Confident | 72.7 | Confident | 149 Ų | 149 | 100.5 Ų | 100.5 | 56% | 0.562 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -74.5 | -48.5 | 174.9 | -159.6 | -174.9 | -146 | 134.8 | 1.4 | 110.6 | S435 L436 R437 I441 K442 E443 | S435-R439 VanDerWaalsContact O-CB 3.27Å; S435-R439 WeakPolarHBondContact O-CB 3.48Å; S435-R439 PolarHBondContact O-N 2.77Å; L436-R439 CarbonylContact O-C 3.58Å; L436-R439 WeakPolarHBondContact O-CA 3.27Å; L436-R439 WeakPolarHBondContact O-CB 3.32Å; L436-R439 PolarHBondContact O-N 3.26Å; L436-R439 VanDerWaalsContact O-N 3.07Å; R437-R439 VanDerWaalsContact C-N 3.31Å; R437-R439 PolarHBondContact O-N 2.92Å; R439-I441 PolarHBondContact O-N 2.82Å; R439-K442 CarbonylContact O-C 3.51Å; R439-K442 WeakPolarHBondContact O-CA 3.18Å; R439-K442 VanDerWaalsContact O-CB 3.31Å; R439-K442 WeakPolarHBondContact O-CB 3.49Å; R439-K442 PolarHBondContact O-N 3.38Å; R439-E443 WeakPolarHBondContact CG-OE1 3.43Å; R439-E443 IonicContact NE-OE1 3.03Å; R439-E443 WeakPolarHBondContact O-CB 3.41Å; R439-E443 WeakPolarHBondContact O-CG 3.44Å; R439-E443 PolarHBondContact O-N 2.64Å |
| 440 | L | 74.4 | Confident | 70.8 | Confident | 106 Ų | 106 | 106.8 Ų | 106.8 | 56% | 0.555 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -55.5 | -48.9 | 170.6 | -80.1 | 163.6 | 0 | 0 | 0 | 111.4 | L436 K442 E443 E444 | L436-L440 WeakPolarHBondContact O-CB 3.09Å; L436-L440 PolarHBondContact O-N 3.38Å; L440-K442 VanDerWaalsContact C-N 3.27Å; L440-K442 PolarHBondContact O-N 2.84Å; L440-E443 CarbonylContact O-C 3.53Å; L440-E443 PolarHBondContact O-N 2.8Å; L440-E444 WeakPolarHBondContact O-CG 3.36Å; L440-E444 PolarHBondContact O-N 3.11Å |
| 441 | I | 72.3 | Confident | 68.4 | Low | 84 Ų | 84 | 105 Ų | 105 | 43% | 0.431 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.7 | -33.7 | 175.1 | -67.8 | 163.4 | 0 | 0 | 0 | 111.7 | R437 R439 K445 | R437-I441 WeakPolarHBondContact O-CB 3.43Å; R437-I441 WeakPolarHBondContact O-CD1 3.01Å; R437-I441 VanDerWaalsContact O-CG1 3.22Å; R437-I441 WeakPolarHBondContact O-CG1 3.21Å; R437-I441 PolarHBondContact O-N 2.84Å; R439-I441 PolarHBondContact O-N 2.82Å; I441-K445 HydrophobicContact CG2-CD 4.32Å; I441-K445 WeakPolarHBondContact O-CB 3.42Å; I441-K445 VanDerWaalsContact O-CG 3.25Å; I441-K445 WeakPolarHBondContact O-CG 3.33Å; I441-K445 PolarHBondContact O-N 2.97Å; I441-K445 VanDerWaalsContact O-N 3.08Å |
| 442 | K | 68.8 | Low | 65.9 | Low | 161 Ų | 161 | 104 Ų | 104 | 70% | 0.7 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.6 | -33.3 | 171.3 | -101 | -175.5 | 173.2 | 179.9 | 0 | 112.6 | R438 R439 L440 A446 | R438-K442 WeakPolarHBondContact O-CB 3.37Å; R438-K442 PolarHBondContact O-N 2.99Å; R439-K442 CarbonylContact O-C 3.51Å; R439-K442 WeakPolarHBondContact O-CA 3.18Å; R439-K442 VanDerWaalsContact O-CB 3.31Å; R439-K442 WeakPolarHBondContact O-CB 3.49Å; R439-K442 PolarHBondContact O-N 3.38Å; L440-K442 VanDerWaalsContact C-N 3.27Å; L440-K442 PolarHBondContact O-N 2.84Å; K442-A446 WeakPolarHBondContact O-CB 3.1Å; K442-A446 PolarHBondContact O-N 3.15Å |
| 443 | E | 72.3 | Confident | 63.3 | Low | 96 Ų | 96 | 105.9 Ų | 105.9 | 45% | 0.449 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -81.3 | -35 | -178 | -78.3 | 167.3 | -170.7 | 0 | 0 | 111.7 | R439 L440 A446 A447 | R439-E443 WeakPolarHBondContact CG-OE1 3.43Å; R439-E443 IonicContact NE-OE1 3.03Å; R439-E443 WeakPolarHBondContact O-CB 3.41Å; R439-E443 WeakPolarHBondContact O-CG 3.44Å; R439-E443 PolarHBondContact O-N 2.64Å; L440-E443 CarbonylContact O-C 3.53Å; L440-E443 PolarHBondContact O-N 2.8Å; E443-A446 CarbonylContact O-C 3.52Å; E443-A446 PolarHBondContact O-N 3.3Å; E443-A447 WeakPolarHBondContact O-CB 3.35Å; E443-A447 PolarHBondContact O-N 3.42Å |
| 444 | E | 65.6 | Low | 60.8 | Low | 137 Ų | 137 | 104.6 Ų | 104.6 | 64% | 0.64 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -58.7 | -52.5 | 162.4 | -74.1 | -168 | 119 | 0 | 0 | 110.5 | L440 A446 A447 F448 | L440-E444 WeakPolarHBondContact O-CG 3.36Å; L440-E444 PolarHBondContact O-N 3.11Å; E444-A446 VanDerWaalsContact C-N 3.29Å; E444-A446 PolarHBondContact O-N 3.01Å; E444-A447 PolarHBondContact O-N 3.5Å; E444-F448 VanDerWaalsContact O-CB 3.23Å; E444-F448 WeakPolarHBondContact O-CB 3.39Å; E444-F448 PolarHBondContact O-N 3.14Å |
| 445 | K | 53.4 | Low | 58.4 | Low | 136 Ų | 136 | 113.9 Ų | 113.9 | 59% | 0.591 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.7 | -36.3 | 177 | -75.1 | 177.1 | 179.4 | -178.3 | 0 | 112.2 | I441 I449 | I441-K445 HydrophobicContact CG2-CD 4.32Å; I441-K445 WeakPolarHBondContact O-CB 3.42Å; I441-K445 VanDerWaalsContact O-CG 3.25Å; I441-K445 WeakPolarHBondContact O-CG 3.33Å; I441-K445 PolarHBondContact O-N 2.97Å; I441-K445 VanDerWaalsContact O-N 3.08Å; K445-I449 WeakPolarHBondContact O-CB 3.24Å; K445-I449 WeakPolarHBondContact O-CD1 3.01Å; K445-I449 WeakPolarHBondContact O-CG1 3.3Å; K445-I449 PolarHBondContact O-N 2.96Å |
| 446 | A | 58.4 | Low | 55.7 | Low | 31 Ų | 31 | 117.9 Ų | 117.9 | 26% | 0.256 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -78.7 | -25.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K442 E443 E444 R450 | K442-A446 WeakPolarHBondContact O-CB 3.1Å; K442-A446 PolarHBondContact O-N 3.15Å; E443-A446 CarbonylContact O-C 3.52Å; E443-A446 PolarHBondContact O-N 3.3Å; E444-A446 VanDerWaalsContact C-N 3.29Å; E444-A446 PolarHBondContact O-N 3.01Å; A446-R450 WeakPolarHBondContact O-CB 3.28Å; A446-R450 WeakPolarHBondContact O-CG 3.45Å; A446-R450 PolarHBondContact O-N 2.84Å; A446-R450 PolarHBondContact O-NE 3.03Å |
| 447 | A | 53.4 | Low | 53.1 | Low | 50 Ų | 50 | 121.8 Ų | 121.8 | 41% | 0.413 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -75.9 | -41.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | E443 E444 R450 S451 | E443-A447 WeakPolarHBondContact O-CB 3.35Å; E443-A447 PolarHBondContact O-N 3.42Å; E444-A447 PolarHBondContact O-N 3.5Å; A447-R450 CarbonylContact O-C 3.5Å; A447-R450 PolarHBondContact O-N 3.4Å; A447-S451 PolarHBondContact O-N 3.36Å |
| 448 | F | 40.5 | Very low | 50.3 | Low | 151 Ų | 151 | 122.4 Ų | 122.4 | 66% | 0.662 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -55.3 | -54.3 | 169.7 | -175.5 | -96.8 | 0 | 0 | 0 | 110.5 | E444 R450 S451 | E444-F448 VanDerWaalsContact O-CB 3.23Å; E444-F448 WeakPolarHBondContact O-CB 3.39Å; E444-F448 PolarHBondContact O-N 3.14Å; F448-R450 PolarHBondContact O-N 3.31Å; F448-S451 WeakPolarHBondContact O-CB 3.22Å; F448-S451 PolarHBondContact O-N 3.21Å; F448-S451 VanDerWaalsContact O-N 3.1Å; F448-S451 PolarHBondContact O-OG 3.22Å |
| 449 | I | 51 | Low | 47.5 | Very low | 110 Ų | 110 | 126 Ų | 126 | 56% | 0.564 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.1 | -39.1 | 176.7 | -69.2 | 165.2 | 0 | 0 | 0 | 112.1 | K445 S451 T452 | K445-I449 WeakPolarHBondContact O-CB 3.24Å; K445-I449 WeakPolarHBondContact O-CD1 3.01Å; K445-I449 WeakPolarHBondContact O-CG1 3.3Å; K445-I449 PolarHBondContact O-N 2.96Å; I449-S451 PolarHBondContact O-N 2.84Å; I449-T452 CarbonylContact O-C 3.56Å; I449-T452 PolarHBondContact O-N 3.15Å; I449-T452 VanDerWaalsContact O-N 3.1Å; I449-T452 PolarHBondContact O-OG1 2.96Å |
| 450 | R | 43.9 | Very low | 44.8 | Very low | 189 Ų | 189 | 127.4 Ų | 127.4 | 71% | 0.713 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.8 | -14.3 | 175.7 | -77.3 | 176.6 | -75.5 | -161.4 | 4.3 | 113.8 | A446 A447 F448 T452 | A446-R450 WeakPolarHBondContact O-CB 3.28Å; A446-R450 WeakPolarHBondContact O-CG 3.45Å; A446-R450 PolarHBondContact O-N 2.84Å; A446-R450 PolarHBondContact O-NE 3.03Å; A447-R450 CarbonylContact O-C 3.5Å; A447-R450 PolarHBondContact O-N 3.4Å; F448-R450 PolarHBondContact O-N 3.31Å; R450-T452 VanDerWaalsContact C-N 3.33Å |
| 451 | S | 40.1 | Very low | 42.3 | Very low | 71 Ų | 71 | 127.2 Ų | 127.2 | 50% | 0.497 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -78.3 | -17.6 | 169.5 | 83.1 | 0 | 0 | 0 | 0 | 113.3 | A447 F448 I449 | A447-S451 PolarHBondContact O-N 3.36Å; F448-S451 WeakPolarHBondContact O-CB 3.22Å; F448-S451 PolarHBondContact O-N 3.21Å; F448-S451 VanDerWaalsContact O-N 3.1Å; F448-S451 PolarHBondContact O-OG 3.22Å; I449-S451 PolarHBondContact O-N 2.84Å |
| 452 | T | 34 | Very low | 40 | Very low | 91 Ų | 91 | 127.2 Ų | 127.2 | 56% | 0.558 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -108.4 | 80.1 | 176.9 | 50.2 | 0 | 0 | 0 | 0 | 111.2 | I449 R450 G454 | I449-T452 CarbonylContact O-C 3.56Å; I449-T452 PolarHBondContact O-N 3.15Å; I449-T452 VanDerWaalsContact O-N 3.1Å; I449-T452 PolarHBondContact O-OG1 2.96Å; R450-T452 VanDerWaalsContact C-N 3.33Å; T452-G454 PolarHBondContact O-N 3.05Å |
| 453 | G | 29.2 | Very low | 37.8 | Very low | 84 Ų | 84 | 128.7 Ų | 128.7 | 87% | 0.866 | 64% | 0.638 | S | S | * | * | trans | -70.8 | 107.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 454 | G | 30.6 | Very low | 35.3 | Very low | 61 Ų | 61 | 130.6 Ų | 130.6 | 63% | 0.629 | 65% | 0.651 | S | S | * | * | trans | -178.8 | 110.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | T452 | T452-G454 PolarHBondContact O-N 3.05Š| ||
| 455 | Y | 27.9 | Very low | 33.3 | Very low | 226 Ų | 226 | 131.9 Ų | 131.9 | 89% | 0.886 | 65% | 0.654 | S | S | * | * | trans | 71.7 | 143.3 | 161.2 | -70 | -90.3 | 0 | 0 | 0 | 121.4 | ||||
| 456 | N | 27.1 | Very low | 31.9 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 74% | 0.743 | 66% | 0.661 | S | S | * | * | trans | 61.4 | 83.1 | 155.5 | -63.9 | -8.7 | 0 | 0 | 0 | 121.5 | ||||
| 457 | K | 26.9 | Very low | 30.5 | Very low | 176 Ų | 176 | 135.6 Ų | 135.6 | 77% | 0.765 | 68% | 0.682 | S | S | * | * | 28.8 | 134.1 | 104.8 | -74.8 | -167.9 | 173.7 | -174.6 | 0 | 119.9 | |||||
| 458 | F | 24.5 | Very low | 29 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | trans | 57.2 | 121.1 | 141.5 | -68.4 | -128.1 | 0 | 0 | 0 | 116.1 | ||||
| 459 | W | 23.4 | Very low | 28.3 | Very low | 228 Ų | 228 | 141.1 Ų | 141.1 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | cis | -143.6 | 137.1 | 47 | -90 | 65.2 | 0 | 0 | 0 | 110.5 | ||||
| 460 | Y | 22.5 | Very low | 27.1 | Very low | 180 Ų | 180 | 140.8 Ų | 140.8 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | 76.7 | 113.2 | 73.4 | -131.2 | -111.2 | 0 | 0 | 0 | 114.7 | |||||
| 461 | N | 23.1 | Very low | 26.2 | Very low | 102 Ų | 102 | 138 Ų | 138 | 55% | 0.545 | 71% | 0.705 | S | S | . | * | trans | 36.3 | 144.4 | 135.8 | -64.9 | -63.8 | 0 | 0 | 0 | 120.5 | ||||
| 462 | S | 23.8 | Very low | 25.3 | Very low | 84 Ų | 84 | 138.5 Ų | 138.5 | 59% | 0.587 | 71% | 0.708 | S | S | * | * | cis | -165.9 | 143.4 | 22.5 | -127.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 463 | R | 21.6 | Very low | 24.8 | Very low | 192 Ų | 192 | 141.9 Ų | 141.9 | 73% | 0.725 | 72% | 0.718 | S | S | * | * | 41.9 | 144.1 | 106.8 | -148 | -160.2 | -56.1 | -145.9 | -2.5 | 119.2 | |||||
| 464 | L | 21.4 | Very low | 24.5 | Very low | 136 Ų | 136 | 143.2 Ų | 143.2 | 71% | 0.712 | 71% | 0.705 | S | S | * | * | trans | 81.8 | 146.2 | 162.7 | -50.9 | -178.2 | 0 | 0 | 0 | 116.1 | ||||
| 465 | K | 23.2 | Very low | 24.1 | Very low | 164 Ų | 164 | 145.2 Ų | 145.2 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | cis | -169.8 | 148.2 | -27.6 | -123.8 | -167.8 | -173.6 | -178.5 | 0 | 109.7 | ||||
| 466 | N | 22.9 | Very low | 23.9 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | trans | 63 | 167.8 | 144.8 | -75.1 | 32.6 | 0 | 0 | 0 | 119 | ||||
| 467 | P | 29.7 | Very low | 23.7 | Very low | 109 Ų | 109 | 142.8 Ų | 142.8 | 71% | 0.708 | 70% | 0.701 | S | S | * | * | trans | -108.1 | -138.8 | -157.3 | 43.9 | -36.1 | 0 | 0 | 0 | 112.3 | ||||
| 468 | M | 21.6 | Very low | 23.7 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 79% | 0.793 | 70% | 0.697 | S | S | * | * | trans | 83.5 | 143.2 | -166.1 | -50.4 | -53.8 | -179.7 | 0 | 0 | 112.9 | ||||
| 469 | H | 27 | Very low | 23.6 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 72% | 0.722 | 70% | 0.702 | S | S | * | * | cis | -129.5 | 167.6 | 6.5 | -128.9 | -81.6 | 0 | 0 | 0 | 112.3 | ||||
| 470 | T | 25.3 | Very low | 23.7 | Very low | 102 Ų | 102 | 135 Ų | 135 | 63% | 0.626 | 70% | 0.695 | S | S | * | * | trans | -26.7 | 160.5 | 155.6 | 59.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 471 | N | 23.4 | Very low | 23.8 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 70% | 0.695 | 70% | 0.698 | S | S | * | * | cis | -166.5 | 172.3 | 43 | -148.3 | 12.4 | 0 | 0 | 0 | 114.3 | ||||
| 472 | C | 21.3 | Very low | 23.8 | Very low | 83 Ų | 83 | 130.4 Ų | 130.4 | 56% | 0.561 | 71% | 0.709 | S | S | * | * | trans | 14.8 | 147.6 | 138.3 | -70.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 473 | Q | 24.2 | Very low | 23.9 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 76% | 0.757 | 72% | 0.717 | S | S | * | * | cis | -165.3 | 159.7 | 10.4 | -120.5 | 157.4 | -41.4 | 0 | 0 | 109.8 | ||||
| 474 | N | 23.4 | Very low | 24 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 59% | 0.594 | 72% | 0.723 | S | S | * | * | trans | 46.6 | 124.7 | 162.8 | -60.5 | 29.8 | 0 | 0 | 0 | 118.3 | ||||
| 475 | S | 22.3 | Very low | 24.2 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | cis | 69.6 | 152.9 | 45.5 | -50.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 476 | E | 24 | Very low | 24.3 | Very low | 153 Ų | 153 | 126.4 Ų | 126.4 | 72% | 0.715 | 73% | 0.733 | S | S | * | * | trans | 74.6 | 131.2 | 174.2 | -64.5 | 145.2 | -127.8 | 0 | 0 | 116.4 | ||||
| 477 | E | 22.7 | Very low | 24.3 | Very low | 161 Ų | 161 | 125.4 Ų | 125.4 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | cis | -164.3 | 174.3 | -18.7 | -137.4 | -167.7 | 134.3 | 0 | 0 | 112.5 | ||||
| 478 | I | 26.1 | Very low | 23.9 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 67% | 0.667 | 73% | 0.733 | S | S | * | * | trans | 60.2 | 90 | 160.5 | -56.3 | 159.1 | 0 | 0 | 0 | 116.6 | V480 | I478-V480 HydrophobicContact CG2-CG2 4.37Š| ||
| 479 | D | 22 | Very low | 24.1 | Very low | 160 Ų | 160 | 124.2 Ų | 124.2 | 86% | 0.856 | 73% | 0.731 | S | S | * | * | trans | -105.2 | 109.2 | 141.1 | 172.1 | 20.8 | 0 | 0 | 0 | 107.6 | ||||
| 480 | V | 25.9 | Very low | 24.1 | Very low | 119 Ų | 119 | 122.2 Ų | 122.2 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | trans | -141.9 | 95.9 | 171.2 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | I478 | I478-V480 HydrophobicContact CG2-CG2 4.37Š| ||
| 481 | C | 25.4 | Very low | 24.1 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | trans | 22.7 | 116 | 133.5 | -157.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 482 | G | 23.4 | Very low | 24.3 | Very low | 75 Ų | 75 | 121.9 Ų | 121.9 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | -114.7 | 80.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 483 | T | 26.1 | Very low | 24.5 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | 26.8 | 115.1 | 159.2 | 55.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 484 | A | 22.2 | Very low | 24.6 | Very low | 104 Ų | 104 | 124.1 Ų | 124.1 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | trans | -101.3 | 132.9 | 147.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 485 | T | 26.5 | Very low | 24.7 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | -146 | 137.3 | 170.9 | -49.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 486 | T | 24.8 | Very low | 24.9 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | trans | -84 | 157.2 | -167.7 | -48.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 487 | T | 22.5 | Very low | 25 | Very low | 115 Ų | 115 | 125.2 Ų | 125.2 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | -60.6 | 142 | 177.4 | 3.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 488 | T | 21.7 | Very low | 25.1 | Very low | 119 Ų | 119 | 124 Ų | 124 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | trans | 17.1 | 130.8 | 138.7 | 58.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 489 | T | 26.5 | Very low | 25.3 | Very low | 125 Ų | 125 | 123.6 Ų | 123.6 | 77% | 0.767 | 74% | 0.742 | S | S | * | * | trans | -158.9 | 112.2 | 134.9 | 14 | 0 | 0 | 0 | 0 | 107 | ||||
| 490 | T | 27.1 | Very low | 25.6 | Very low | 114 Ų | 114 | 122.5 Ų | 122.5 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | 62.4 | 137.9 | 93.3 | 62.5 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 491 | T | 25.4 | Very low | 26.1 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 69% | 0.693 | 73% | 0.734 | S | S | * | * | cis | -175.5 | 177.1 | -17.9 | 33.2 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 492 | T | 27.4 | Very low | 26.7 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | trans | 60.2 | 133.5 | 148.4 | 44.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 493 | D | 25.4 | Very low | 27.3 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | cis | -153.3 | 154.2 | 16.3 | -94.5 | -33.7 | 0 | 0 | 0 | 112.9 | ||||
| 494 | E | 26.1 | Very low | 27.7 | Very low | 160 Ų | 160 | 128.7 Ų | 128.7 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | 55.7 | 138.5 | 132.4 | -60.1 | -73.1 | 95.3 | 0 | 0 | 124.5 | ||||
| 495 | V | 24.8 | Very low | 28.4 | Very low | 102 Ų | 102 | 130.7 Ų | 130.7 | 62% | 0.618 | 73% | 0.733 | S | S | * | * | trans | 17.5 | 119.7 | 136.3 | -168.4 | 0 | 0 | 0 | 0 | 119.1 | I497 | V495-I497 HydrophobicContact CG1-CD1 4.37Š| ||
| 496 | E | 27.4 | Very low | 28.3 | Very low | 175 Ų | 175 | 131.8 Ų | 131.8 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | 174.9 | 162.2 | 120.7 | -90.7 | -152.2 | 144.7 | 0 | 0 | 107.9 | |||||
| 497 | I | 25 | Very low | 28.5 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 57% | 0.574 | 73% | 0.729 | S | S | * | * | cis | 167.1 | 151.2 | -31.2 | -103.6 | 177.2 | 0 | 0 | 0 | 104.4 | V495 | V495-I497 HydrophobicContact CG1-CD1 4.37Š| ||
| 498 | D | 24.4 | Very low | 28.7 | Very low | 136 Ų | 136 | 130.7 Ų | 130.7 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | 59 | 157.9 | 162.5 | -72.3 | -8.2 | 0 | 0 | 0 | 123.1 | ||||
| 499 | T | 31.7 | Very low | 29 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | 68.7 | 153.1 | 152.5 | 56.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 500 | D | 27.6 | Very low | 29.3 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | cis | 169.2 | 155.4 | -34.8 | -107.5 | -41.1 | 0 | 0 | 0 | 107.3 | ||||
| 501 | V | 37.1 | Very low | 29.2 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 69% | 0.685 | 72% | 0.721 | S | S | * | * | trans | 45.6 | 100.7 | 144.1 | -179.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 502 | D | 37.2 | Very low | 29.7 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | 169 | 148.6 | 107.5 | -107.8 | -24.5 | 0 | 0 | 0 | 113.9 | |||||
| 503 | L | 37.2 | Very low | 29.6 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 70% | 0.696 | 73% | 0.727 | S | S | * | * | trans | 62 | 148.7 | 165 | -87.2 | 58.5 | 0 | 0 | 0 | 118 | ||||
| 504 | L | 33 | Very low | 29.7 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 90% | 0.901 | 73% | 0.727 | S | S | * | * | cis | 67.9 | 65.9 | 10.3 | -54.9 | 177.2 | 0 | 0 | 0 | 117.7 | ||||
| 505 | D | 37.2 | Very low | 29.7 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | trans | -144.3 | 171.9 | 150.2 | -140.7 | -28.8 | 0 | 0 | 0 | 111.4 | ||||
| 506 | M | 25.2 | Very low | 29.8 | Very low | 155 Ų | 155 | 134.6 Ų | 134.6 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | trans | -69.6 | 165.5 | -154.9 | -70.4 | -71 | 179.1 | 0 | 0 | 119.5 | ||||
| 507 | D | 29.3 | Very low | 29.6 | Very low | 143 Ų | 143 | 130.9 Ų | 130.9 | 77% | 0.765 | 72% | 0.717 | S | S | * | * | trans | 67.1 | 86.7 | 162.4 | -59.7 | -17.9 | 0 | 0 | 0 | 116.2 | ||||
| 508 | S | 26.5 | Very low | 29.7 | Very low | 82 Ų | 82 | 131.8 Ų | 131.8 | 57% | 0.573 | 72% | 0.719 | S | S | * | * | cis | 71.4 | 127.2 | 42.3 | -48.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 509 | I | 28.3 | Very low | 29.9 | Very low | 165 Ų | 165 | 132.5 Ų | 132.5 | 85% | 0.846 | 72% | 0.716 | S | S | * | * | cis | 1.7 | 106.1 | -24.7 | -61.8 | 175.7 | 0 | 0 | 0 | 114.2 | ||||
| 510 | I | 32.5 | Very low | 29.9 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 60% | 0.6 | 72% | 0.721 | S | S | * | * | cis | 63.5 | 83.7 | 28.9 | -62.1 | 168.2 | 0 | 0 | 0 | 109.9 | ||||
| 511 | L | 24 | Very low | 30.2 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 72% | 0.717 | 73% | 0.727 | S | S | * | * | 79.8 | 97.5 | 80.3 | -77.3 | 166.6 | 0 | 0 | 0 | 110.9 | |||||
| 512 | D | 36.5 | Very low | 30.2 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 86% | 0.856 | 73% | 0.73 | S | S | * | * | trans | 171.1 | 90.9 | 158.6 | -84.3 | -19.4 | 0 | 0 | 0 | 100.9 | ||||
| 513 | D | 26 | Very low | 29.8 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 66% | 0.658 | 72% | 0.721 | S | S | * | * | 51.9 | 119.6 | 55 | -109.9 | 0.2 | 0 | 0 | 0 | 112 | |||||
| 514 | I | 26.1 | Very low | 29.3 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 70% | 0.703 | 72% | 0.724 | S | S | * | * | trans | 47.4 | 107.7 | 142.2 | -55.2 | 165.9 | 0 | 0 | 0 | 114.5 | ||||
| 515 | D | 27.1 | Very low | 29 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | -152.3 | 170.4 | 63.2 | -136.6 | -18.2 | 0 | 0 | 0 | 116.1 | |||||
| 516 | S | 25.7 | Very low | 28.4 | Very low | 88 Ų | 88 | 140.4 Ų | 140.4 | 62% | 0.615 | 72% | 0.716 | S | S | * | * | 5.1 | 155.2 | 127.1 | -57.6 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 517 | C | 24.4 | Very low | 28.5 | Very low | 98 Ų | 98 | 139.5 Ų | 139.5 | 66% | 0.662 | 71% | 0.713 | S | S | * | * | cis | -153.1 | 156.1 | 18.1 | -137.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 518 | E | 26.7 | Very low | 28.4 | Very low | 131 Ų | 131 | 138 Ų | 138 | 61% | 0.612 | 71% | 0.709 | S | S | * | * | trans | 13.1 | 144 | 134.9 | -65.4 | -169.1 | 135.5 | 0 | 0 | 123.3 | ||||
| 519 | K | 29.2 | Very low | 28.4 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | trans | 68.4 | 157.7 | 142.5 | -66.1 | 160.8 | -164 | 159.2 | 0 | 114.5 | ||||
| 520 | L | 31.1 | Very low | 28.4 | Very low | 165 Ų | 165 | 140 Ų | 140 | 86% | 0.864 | 72% | 0.715 | S | S | * | * | cis | -131.2 | 162.7 | 27.5 | -73.9 | 156.8 | 0 | 0 | 0 | 113.6 | ||||
| 521 | I | 33 | Very low | 28.3 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 85% | 0.846 | 72% | 0.719 | S | S | * | * | trans | -99.6 | 169.2 | 172.8 | 17.7 | 177.8 | 0 | 0 | 0 | 110.4 | ||||
| 522 | P | 37.2 | Very low | 28.4 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 76% | 0.76 | 72% | 0.718 | S | S | * | * | trans | -112.8 | 175.1 | -140.9 | 42.6 | -37.5 | 0 | 0 | 0 | 115.4 | ||||
| 523 | D | 30.6 | Very low | 27.9 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 56% | 0.561 | 71% | 0.709 | S | S | * | * | trans | -142.8 | 93.6 | 157.3 | -155.2 | 50.1 | 0 | 0 | 0 | 114.9 | R525 | D523-R525 IonicContact OD2-CZ 2.91Å; D523-R525 IonicContact OD2-NE 2.67Å; D523-R525 IonicContact OD2-NH2 2.6Å; D523-R525 PolarHBondContact OD2-NH2 3.43Å | ||
| 524 | R | 25.5 | Very low | 28 | Very low | 200 Ų | 200 | 140.2 Ų | 140.2 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | 42.9 | 109.4 | 113.9 | -176.8 | -159.3 | -165.3 | -159.2 | 9.7 | 118.8 | |||||
| 525 | R | 26.8 | Very low | 28.1 | Very low | 206 Ų | 206 | 144.3 Ų | 144.3 | 78% | 0.777 | 72% | 0.72 | S | S | * | * | trans | 170.9 | 162.7 | 145.3 | -96.7 | 151.8 | -107.1 | -155.4 | 0.4 | 110.1 | D523 | D523-R525 IonicContact OD2-CZ 2.91Å; D523-R525 IonicContact OD2-NE 2.67Å; D523-R525 IonicContact OD2-NH2 2.6Å; D523-R525 PolarHBondContact OD2-NH2 3.43Å | ||
| 526 | K | 25.7 | Very low | 27.9 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | cis | -179.6 | 134.1 | -41.3 | -122.6 | -175.3 | 165.6 | -175.9 | 0 | 109.1 | ||||
| 527 | I | 26 | Very low | 28.1 | Very low | 136 Ų | 136 | 149.3 Ų | 149.3 | 70% | 0.697 | 73% | 0.728 | S | S | * | * | trans | 76.4 | 153.3 | 150.8 | -52.2 | 158.5 | 0 | 0 | 0 | 118.6 | ||||
| 528 | T | 27.8 | Very low | 28.4 | Very low | 111 Ų | 111 | 150.2 Ų | 150.2 | 68% | 0.681 | 73% | 0.731 | S | S | * | * | trans | 97.8 | 144.7 | 165.4 | 73.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 529 | K | 27.1 | Very low | 28.3 | Very low | 182 Ų | 182 | 150.5 Ų | 150.5 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | cis | -167.1 | 154.4 | -18.2 | -109.4 | 167.6 | -173.2 | 171.6 | 0 | 110.4 | ||||
| 530 | S | 27.5 | Very low | 28.5 | Very low | 108 Ų | 108 | 151.7 Ų | 151.7 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | 65.2 | 165.2 | 159.5 | 76.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 531 | N | 31 | Very low | 28.4 | Very low | 128 Ų | 128 | 148.3 Ų | 148.3 | 68% | 0.684 | 73% | 0.733 | S | S | * | * | cis | -140.9 | 149.2 | 6.2 | -112.3 | -25.1 | 0 | 0 | 0 | 108.5 | ||||
| 532 | N | 25.3 | Very low | 28.3 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 68% | 0.679 | 73% | 0.73 | S | S | * | * | 50.8 | 135.7 | 82.6 | -72.2 | -46.3 | 0 | 0 | 0 | 115.2 | |||||
| 533 | N | 26.7 | Very low | 27.6 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 68% | 0.684 | 74% | 0.738 | S | S | * | * | cis | -169 | -176.5 | -8.1 | -143.9 | -33.3 | 0 | 0 | 0 | 111.3 | ||||
| 534 | Q | 27.1 | Very low | 27.5 | Very low | 157 Ų | 157 | 150.9 Ų | 150.9 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | 82.5 | 125.7 | 153.5 | -122.3 | 80.3 | 0.3 | 0 | 0 | 122.7 | ||||
| 535 | R | 28.2 | Very low | 27.5 | Very low | 223 Ų | 223 | 146.4 Ų | 146.4 | 84% | 0.842 | 75% | 0.747 | S | S | * | * | 107.3 | 82 | 123.5 | -154.4 | 173 | -174.9 | 161.5 | 0.6 | 123.1 | |||||
| 536 | M | 23.8 | Very low | 27.4 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | 64.6 | 135.7 | 112.4 | -149.3 | -159 | -164.2 | 0 | 0 | 122.7 | |||||
| 537 | K | 30 | Very low | 27.4 | Very low | 175 Ų | 175 | 142.1 Ų | 142.1 | 76% | 0.761 | 74% | 0.741 | S | S | * | * | trans | 82 | 150.2 | 164.7 | -55.6 | -165.3 | -179.9 | -177.4 | 0 | 116.7 | ||||
| 538 | V | 29.5 | Very low | 27.5 | Very low | 117 Ų | 117 | 142 Ų | 142 | 71% | 0.709 | 75% | 0.75 | S | S | * | * | cis | -154 | 149.3 | -10.8 | 119.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 539 | I | 25.4 | Very low | 27.4 | Very low | 137 Ų | 137 | 145.1 Ų | 145.1 | 70% | 0.703 | 76% | 0.755 | S | S | * | * | trans | -6.2 | 115 | 158.5 | -47 | 160.7 | 0 | 0 | 0 | 118.1 | ||||
| 540 | H | 32.5 | Very low | 27.2 | Very low | 175 Ų | 175 | 142 Ų | 142 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | -167.5 | 148 | 110.9 | -111.6 | -73.8 | 0 | 0 | 0 | 114.9 | |||||
| 541 | S | 30.6 | Very low | 27.1 | Very low | 95 Ų | 95 | 144.1 Ų | 144.1 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | trans | -73.8 | 170 | -179.1 | 54.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 542 | P | 29.6 | Very low | 26.9 | Very low | 120 Ų | 120 | 147.6 Ų | 147.6 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | cis | -134.8 | 124 | 1.9 | 31.5 | -9.9 | 0 | 0 | 0 | 116.1 | ||||
| 543 | L | 23.1 | Very low | 27 | Very low | 179 Ų | 179 | 147 Ų | 147 | 94% | 0.937 | 76% | 0.762 | S | S | * | * | trans | -133.2 | 124.8 | 146.1 | -94.3 | 170 | 0 | 0 | 0 | 106.6 | ||||
| 544 | N | 28.2 | Very low | 27.1 | Very low | 142 Ų | 142 | 148.6 Ų | 148.6 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -163.7 | 154.5 | 176.4 | -146.4 | -9.6 | 0 | 0 | 0 | 112.3 | ||||
| 545 | S | 25.3 | Very low | 27 | Very low | 106 Ų | 106 | 148 Ų | 148 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | 62.2 | 95.9 | -172 | -154.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 546 | I | 25.6 | Very low | 27.1 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | cis | 71.3 | 96.8 | 24.7 | -44.7 | 166.7 | 0 | 0 | 0 | 114.3 | ||||
| 547 | H | 24.6 | Very low | 27.1 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | -164.3 | 109.4 | 123.6 | -123.2 | -87.6 | 0 | 0 | 0 | 111.4 | |||||
| 548 | C | 28.8 | Very low | 27.1 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 90% | 0.899 | 76% | 0.759 | S | S | * | * | trans | -154.7 | 110.7 | 162.5 | -92.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 549 | F | 24.8 | Very low | 27.1 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -88.8 | 148.2 | 167.7 | -94.5 | -108.1 | 0 | 0 | 0 | 109.8 | ||||
| 550 | S | 22.8 | Very low | 27.2 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | trans | -107 | 119.1 | 161.7 | 59.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 551 | E | 25.5 | Very low | 27.1 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | trans | -143.5 | 135 | 167.4 | -102.7 | -164.1 | 161 | 0 | 0 | 112.4 | ||||
| 552 | Y | 27 | Very low | 26.9 | Very low | 200 Ų | 200 | 140.1 Ų | 140.1 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | trans | 50.8 | 129.9 | 164.1 | -64.6 | -75.5 | 0 | 0 | 0 | 122.4 | ||||
| 553 | P | 28.1 | Very low | 27.1 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | trans | -90.8 | 167.9 | 161.7 | 38.7 | -34.3 | 0 | 0 | 0 | 111.9 | ||||
| 554 | L | 27.8 | Very low | 27.3 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | trans | -179 | 112.4 | 140.6 | -99.8 | 169.1 | 0 | 0 | 0 | 113.6 | ||||
| 555 | N | 26 | Very low | 27.4 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | 69.7 | 157.9 | 125.5 | -147.4 | 7 | 0 | 0 | 0 | 123.7 | |||||
| 556 | V | 29.2 | Very low | 27.7 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | trans | 68.1 | 87 | 161.4 | -157 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 557 | N | 25.5 | Very low | 28 | Very low | 152 Ų | 152 | 143.2 Ų | 143.2 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | 44.5 | 138.1 | 107.7 | -152.8 | 4.7 | 0 | 0 | 0 | 122.7 | |||||
| 558 | S | 30.2 | Very low | 28.5 | Very low | 86 Ų | 86 | 142.2 Ų | 142.2 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | trans | 112.7 | 116.5 | 137.6 | -138.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 559 | N | 28.6 | Very low | 28.7 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | trans | 79.6 | 125.9 | 131.9 | -87.7 | -36.6 | 0 | 0 | 0 | 126.9 | ||||
| 560 | R | 26.6 | Very low | 29.1 | Very low | 208 Ų | 208 | 140.1 Ų | 140.1 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | 87 | 125.7 | 129.1 | -83 | -177.5 | 165.9 | -158.9 | -3.7 | 124.9 | |||||
| 561 | I | 30.3 | Very low | 29.6 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | trans | 68.6 | 141.2 | 141.1 | -57.3 | 163.9 | 0 | 0 | 0 | 117.3 | ||||
| 562 | G | 28.4 | Very low | 29.9 | Very low | 65 Ų | 65 | 137.3 Ų | 137.3 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | cis | 148.5 | 156 | -8.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 563 | S | 31.9 | Very low | 30.1 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | 107.1 | 119.3 | 158.9 | -51.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 564 | N | 28.8 | Very low | 30.2 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | 76.9 | 109.8 | 126 | -76.2 | -46 | 0 | 0 | 0 | 126.5 | |||||
| 565 | R | 28.8 | Very low | 30.3 | Very low | 203 Ų | 203 | 136.3 Ų | 136.3 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | 95.4 | 128.3 | 108.9 | -86.9 | 177.9 | 171 | -175.5 | -1.5 | 126.1 | |||||
| 566 | K | 32.1 | Very low | 30.3 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 77% | 0.774 | 74% | 0.737 | S | S | * | * | trans | 74.8 | 158.8 | 142.7 | -64 | -175.3 | 172.8 | -167.1 | 0 | 120.8 | ||||
| 567 | V | 33.1 | Very low | 30.4 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | cis | -174.5 | 163.3 | -40.2 | 159.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 568 | I | 33.9 | Very low | 30.5 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | trans | 126.4 | 99.3 | 153.4 | -59.4 | -67.9 | 0 | 0 | 0 | 116.8 | ||||
| 569 | D | 32.9 | Very low | 30.5 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | 58 | 140.8 | 126.9 | -50.1 | -6.3 | 0 | 0 | 0 | 128.6 | |||||
| 570 | N | 33.2 | Very low | 30.5 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | 90.5 | 91.3 | 137.5 | -72 | -14.2 | 0 | 0 | 0 | 126 | ||||
| 571 | S | 33.5 | Very low | 30.7 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | 71.1 | 116.1 | 114.5 | 70.2 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 572 | S | 32 | Very low | 31 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | 101.7 | 150.9 | 123.8 | 77 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 573 | V | 31.2 | Very low | 31 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 76% | 0.758 | 76% | 0.759 | S | S | * | * | trans | 85.2 | 96.5 | 162.6 | -167.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 574 | E | 29.6 | Very low | 31 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | 49.3 | 137.4 | 131.5 | -62.1 | -166.7 | -150.4 | 0 | 0 | 127.6 | ||||
| 575 | H | 29.6 | Very low | 30.8 | Very low | 170 Ų | 170 | 144.7 Ų | 144.7 | 79% | 0.787 | 76% | 0.763 | S | S | * | * | trans | 90.5 | 140.6 | 133.1 | -97.5 | 107.5 | 0 | 0 | 0 | 124.9 | ||||
| 576 | C | 26.7 | Very low | 30.9 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 98 | 145.6 | 156.1 | -149.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 577 | H | 31.6 | Very low | 30.6 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | trans | -83.8 | 161.3 | 178 | -70.4 | 0.5 | 0 | 0 | 0 | 112.8 | ||||
| 578 | C | 27.6 | Very low | 30.4 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | 141.5 | 144.2 | 101.9 | -150.5 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 579 | C | 29.5 | Very low | 30 | Very low | 105 Ų | 105 | 144.3 Ų | 144.3 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | trans | 80 | 125.2 | 143.1 | -135.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 580 | S | 29.5 | Very low | 29.6 | Very low | 99 Ų | 99 | 148 Ų | 148 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | trans | 82.7 | 158.4 | 136.8 | -79 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 581 | C | 30.2 | Very low | 29.2 | Very low | 122 Ų | 122 | 148 Ų | 148 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | 62.2 | 145 | 161.3 | 49.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 582 | R | 36.3 | Very low | 28.8 | Very low | 250 Ų | 250 | 151.6 Ų | 151.6 | 94% | 0.943 | 78% | 0.783 | S | S | * | * | trans | -143.1 | 83.6 | -172.2 | -178.5 | -169.8 | 179 | -157.7 | 1.3 | 109.5 | ||||
| 583 | C | 29.5 | Very low | 28.5 | Very low | 106 Ų | 106 | 151 Ų | 151 | 72% | 0.716 | 78% | 0.778 | S | S | * | * | trans | -139.9 | 137.9 | -170.3 | -63.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 584 | H | 31.6 | Very low | 28.4 | Very low | 171 Ų | 171 | 150.4 Ų | 150.4 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | trans | 51.1 | 103.9 | 153.3 | -67.7 | -61.7 | 0 | 0 | 0 | 122.7 | ||||
| 585 | R | 25.3 | Very low | 28.3 | Very low | 199 Ų | 199 | 147.8 Ų | 147.8 | 75% | 0.751 | 78% | 0.779 | S | S | * | * | 60.8 | 132 | 98.4 | -178 | 178.2 | -178.6 | 168 | 4.1 | 120.4 | |||||
| 586 | H | 30.6 | Very low | 28.1 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | trans | 101.4 | 136.9 | 154 | -84.5 | -32.6 | 0 | 0 | 0 | 120.3 | ||||
| 587 | N | 25.2 | Very low | 28.1 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -55.9 | 149.4 | -179.2 | -46.8 | -23.7 | 0 | 0 | 0 | 114.8 | ||||
| 588 | Y | 29.1 | Very low | 27.8 | Very low | 225 Ų | 225 | 142.7 Ų | 142.7 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | -160.8 | 166 | 109.5 | -119.4 | -82.4 | 0 | 0 | 0 | 111.5 | |||||
| 589 | T | 24.7 | Very low | 27.8 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | trans | -102.5 | 132.5 | -173.6 | 41 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 590 | F | 25.4 | Very low | 27.5 | Very low | 202 Ų | 202 | 148.5 Ų | 148.5 | 89% | 0.886 | 77% | 0.771 | S | S | * | * | trans | -160.9 | 161.6 | 142.1 | -138.5 | -103 | 0 | 0 | 0 | 112.8 | ||||
| 591 | N | 24.6 | Very low | 27.4 | Very low | 140 Ų | 140 | 149 Ų | 149 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | -99.7 | 140.9 | 179.5 | -72.7 | -51.1 | 0 | 0 | 0 | 112 | ||||
| 592 | Q | 25.2 | Very low | 27.2 | Very low | 176 Ų | 176 | 153.3 Ų | 153.3 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | 177.5 | 131.9 | 118.3 | -98.4 | 174.8 | 58.7 | 0 | 0 | 115.4 | |||||
| 593 | S | 25.9 | Very low | 26.8 | Very low | 99 Ų | 99 | 150.3 Ų | 150.3 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | 53.5 | 135.8 | 144.4 | 60.6 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 594 | S | 28.3 | Very low | 26.7 | Very low | 113 Ų | 113 | 151.5 Ų | 151.5 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | 73.6 | 149.7 | 152 | 73.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 595 | S | 27.3 | Very low | 26.4 | Very low | 103 Ų | 103 | 149.9 Ų | 149.9 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | cis | -167.2 | 153.6 | -27.2 | 50 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 596 | S | 26.3 | Very low | 26.4 | Very low | 102 Ų | 102 | 148 Ų | 148 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | 53.4 | 105.7 | 154.8 | 61.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 597 | T | 26.6 | Very low | 26.1 | Very low | 135 Ų | 135 | 148.5 Ų | 148.5 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | 165.7 | 113 | 120 | 40.9 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 598 | N | 25 | Very low | 26 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 67% | 0.674 | 77% | 0.767 | S | S | * | * | 74.7 | 90.2 | 76.4 | -169.9 | 35.4 | 0 | 0 | 0 | 114.6 | |||||
| 599 | F | 26.9 | Very low | 25.9 | Very low | 183 Ų | 183 | 145 Ų | 145 | 80% | 0.803 | 77% | 0.767 | S | S | * | * | -169.3 | 148.9 | 122.6 | -118.8 | -83.3 | 0 | 0 | 0 | 111.5 | |||||
| 600 | Q | 24.6 | Very low | 25.8 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | trans | -76.5 | 156.1 | 176.4 | -68.5 | 131.9 | -81 | 0 | 0 | 113.1 | ||||
| 601 | C | 26.8 | Very low | 26 | Very low | 109 Ų | 109 | 147.4 Ų | 147.4 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | trans | -166.9 | 126.8 | 139.2 | -112.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 602 | Y | 26.4 | Very low | 26 | Very low | 213 Ų | 213 | 147.4 Ų | 147.4 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | 42.9 | 120.1 | 162.9 | -60.4 | -94.1 | 0 | 0 | 0 | 117.8 | ||||
| 603 | E | 27.3 | Very low | 26 | Very low | 187 Ų | 187 | 150 Ų | 150 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | -148.4 | 174.5 | 75.6 | -132.3 | 170.2 | -166.4 | 0 | 0 | 116.3 | |||||
| 604 | I | 27.6 | Very low | 26 | Very low | 131 Ų | 131 | 148.7 Ų | 148.7 | 67% | 0.672 | 77% | 0.767 | S | S | * | * | trans | -69 | 150.3 | -167.8 | -70.4 | 154.3 | 0 | 0 | 0 | 113.2 | ||||
| 605 | D | 24.6 | Very low | 26 | Very low | 137 Ų | 137 | 150.7 Ų | 150.7 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | 23.8 | 123.1 | 161 | -54.8 | -25.8 | 0 | 0 | 0 | 119.5 | ||||
| 606 | N | 26.8 | Very low | 25.9 | Very low | 159 Ų | 159 | 152.9 Ų | 152.9 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | -136.4 | 139.5 | 117.9 | -142.6 | -25.5 | 0 | 0 | 0 | 113.7 | |||||
| 607 | Q | 23.7 | Very low | 26 | Very low | 158 Ų | 158 | 154.4 Ų | 154.4 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | -68 | 147.9 | -169.5 | -61.4 | 164.9 | -6.8 | 0 | 0 | 112.6 | ||||
| 608 | S | 23.2 | Very low | 26 | Very low | 91 Ų | 91 | 156.8 Ų | 156.8 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | 24.2 | 104.6 | 132.3 | -168.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 609 | K | 25.8 | Very low | 26 | Very low | 200 Ų | 200 | 155.5 Ų | 155.5 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | -127.6 | 110.5 | 126.7 | -73 | -163 | 176.1 | -176.5 | 0 | 110.5 | |||||
| 610 | Y | 23.8 | Very low | 25.9 | Very low | 210 Ų | 210 | 154.9 Ų | 154.9 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | 8.5 | 116.3 | 128.7 | -73.2 | -101.4 | 0 | 0 | 0 | 115.2 | |||||
| 611 | L | 28.3 | Very low | 25.8 | Very low | 162 Ų | 162 | 152.4 Ų | 152.4 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | -147.3 | 151.5 | 122.9 | -142.9 | 74.1 | 0 | 0 | 0 | 111.1 | |||||
| 612 | D | 25.1 | Very low | 25.8 | Very low | 139 Ų | 139 | 152.3 Ų | 152.3 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | -55.4 | 152.3 | -173.5 | -53.8 | -99 | 0 | 0 | 0 | 115 | ||||
| 613 | R | 26.4 | Very low | 25.9 | Very low | 231 Ų | 231 | 149.6 Ų | 149.6 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | -126.1 | 92.4 | 131.6 | -168.5 | 166.4 | -174.7 | 108.4 | 5 | 111.6 | ||||
| 614 | A | 25.1 | Very low | 25.9 | Very low | 71 Ų | 71 | 145.9 Ų | 145.9 | 59% | 0.587 | 77% | 0.768 | S | S | * | * | trans | -67.9 | 171.4 | 152.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 615 | Q | 28.7 | Very low | 26.1 | Very low | 155 Ų | 155 | 146 Ų | 146 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | 78.6 | 94.1 | 175.2 | -51.1 | -173.1 | -2.6 | 0 | 0 | 116.5 | ||||
| 616 | N | 25.4 | Very low | 26.2 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | 54.6 | 163.3 | 102.4 | -60.4 | 7 | 0 | 0 | 0 | 120.6 | |||||
| 617 | T | 27.8 | Very low | 26.3 | Very low | 135 Ų | 135 | 147.4 Ų | 147.4 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | trans | 77 | 94.3 | 167.6 | 65.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 618 | H | 26 | Very low | 26.6 | Very low | 184 Ų | 184 | 146.5 Ų | 146.5 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | trans | -103.8 | 127 | 133.4 | -151 | -10.2 | 0 | 0 | 0 | 105.3 | ||||
| 619 | P | 26.3 | Very low | 27 | Very low | 99 Ų | 99 | 150.2 Ų | 150.2 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | -150 | 150.4 | 103.4 | 37.2 | -20.3 | 0 | 0 | 0 | 116 | |||||
| 620 | Q | 23.4 | Very low | 27.3 | Very low | 171 Ų | 171 | 147.2 Ų | 147.2 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | 62.5 | 149.3 | 144.8 | -68.7 | -177.3 | -6.7 | 0 | 0 | 123.4 | ||||
| 621 | S | 23.9 | Very low | 27.8 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | 84.9 | 140.2 | 153.6 | 77.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 622 | S | 26.7 | Very low | 28 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | 64.1 | 139.7 | 175.6 | 70.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 623 | D | 27.5 | Very low | 28.3 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | cis | -162.6 | 165.4 | -11 | -122.8 | -35 | 0 | 0 | 0 | 113.5 | ||||
| 624 | S | 28.3 | Very low | 28.4 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | 74.9 | 162.1 | 152.3 | -155.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 625 | V | 30.9 | Very low | 28.5 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | trans | 66.1 | 67.5 | 175.2 | -158.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 626 | L | 26.9 | Very low | 28.6 | Very low | 165 Ų | 165 | 142 Ų | 142 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -26.8 | 142.5 | 141.4 | -148.5 | 88.1 | 0 | 0 | 0 | 115.1 | ||||
| 627 | L | 28.3 | Very low | 28.8 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | trans | -75.6 | 149.3 | 161.7 | -82.3 | 159.4 | 0 | 0 | 0 | 111.3 | ||||
| 628 | D | 29.9 | Very low | 28.9 | Very low | 138 Ų | 138 | 148.7 Ų | 148.7 | 74% | 0.738 | 81% | 0.812 | S | S | * | * | trans | -122.1 | 146.7 | 163.4 | -173.6 | 19.7 | 0 | 0 | 0 | 109.7 | ||||
| 629 | K | 32.5 | Very low | 29.5 | Very low | 169 Ų | 169 | 145.2 Ų | 145.2 | 74% | 0.735 | 81% | 0.806 | S | S | * | * | trans | 63.8 | 107.2 | -165 | -55.6 | 177.1 | -175.5 | 175.1 | 0 | 113.3 | ||||
| 630 | T | 33 | Very low | 29.7 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | 61.5 | 118.7 | 52 | 82.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 631 | G | 33.8 | Very low | 29.9 | Very low | 67 Ų | 67 | 147.1 Ų | 147.1 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | cis | 160.7 | 156 | -9.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 632 | N | 31.9 | Very low | 30 | Very low | 171 Ų | 171 | 148.1 Ų | 148.1 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | trans | -172.6 | 93.4 | 156.2 | -106.5 | -15 | 0 | 0 | 0 | 111.5 | ||||
| 633 | N | 31.3 | Very low | 29.9 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | trans | -163.3 | 163.1 | 136.8 | -138.7 | -24.5 | 0 | 0 | 0 | 111.9 | ||||
| 634 | C | 28.3 | Very low | 29.8 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | trans | -104.4 | 178.6 | -170.6 | -71.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 635 | Q | 27.6 | Very low | 29.6 | Very low | 197 Ų | 197 | 148.1 Ų | 148.1 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -112.4 | 170.2 | -157.5 | -62.3 | 171.9 | -55.6 | 0 | 0 | 115.5 | ||||
| 636 | T | 31 | Very low | 29.4 | Very low | 133 Ų | 133 | 149.1 Ų | 149.1 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | trans | -103.9 | 157.9 | 174.5 | 46.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 637 | K | 28.8 | Very low | 29.4 | Very low | 200 Ų | 200 | 150.3 Ų | 150.3 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | trans | 174 | 160.3 | 143 | -100.1 | 162.7 | -175.8 | -178.4 | 0 | 115.6 | ||||
| 638 | Y | 29.9 | Very low | 29.4 | Very low | 224 Ų | 224 | 151.6 Ų | 151.6 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | trans | -135.8 | 167 | 155.6 | -83.6 | -84.9 | 0 | 0 | 0 | 106 | ||||
| 639 | P | 39 | Very low | 29.2 | Very low | 111 Ų | 111 | 149.9 Ų | 149.9 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | cis | -137.3 | -152.7 | 18.8 | 33.2 | -7.2 | 0 | 0 | 0 | 114.5 | ||||
| 640 | L | 30.3 | Very low | 28.9 | Very low | 143 Ų | 143 | 147.3 Ų | 147.3 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | trans | 100.1 | 131.6 | 167 | -90.3 | 75.5 | 0 | 0 | 0 | 121.6 | ||||
| 641 | E | 28.5 | Very low | 28.4 | Very low | 166 Ų | 166 | 148 Ų | 148 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | 47.8 | 100.4 | 143.8 | -61.7 | -173.5 | 157 | 0 | 0 | 124.2 | ||||
| 642 | T | 24.7 | Very low | 27.9 | Very low | 132 Ų | 132 | 151.9 Ų | 151.9 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | 29.5 | 102.6 | 118.3 | -43.3 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 643 | N | 25.8 | Very low | 27.4 | Very low | 143 Ų | 143 | 148.4 Ų | 148.4 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | -162.3 | 125 | 119.9 | -127.4 | -8.2 | 0 | 0 | 0 | 115.7 | |||||
| 644 | V | 24.7 | Very low | 27.2 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 66% | 0.661 | 74% | 0.742 | S | S | * | * | 51.9 | 110.4 | 128.4 | 165.1 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 645 | N | 24.3 | Very low | 27.1 | Very low | 119 Ų | 119 | 151 Ų | 151 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | trans | 82.1 | 101.1 | 131 | -70.8 | 4.7 | 0 | 0 | 0 | 123.6 | ||||
| 646 | Q | 27.5 | Very low | 26.9 | Very low | 154 Ų | 154 | 152 Ų | 152 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | 80.1 | 107.5 | 107.2 | -75.9 | 175.3 | -3.4 | 0 | 0 | 120.3 | |||||
| 647 | Y | 26.9 | Very low | 26.7 | Very low | 190 Ų | 190 | 150.9 Ų | 150.9 | 75% | 0.745 | 73% | 0.728 | S | S | * | * | 68.7 | 150.1 | 114.9 | -99.8 | -105.3 | 0 | 0 | 0 | 120.7 | |||||
| 648 | Y | 28.2 | Very low | 26.5 | Very low | 189 Ų | 189 | 146.4 Ų | 146.4 | 74% | 0.741 | 72% | 0.722 | S | S | * | * | trans | 68.7 | 139 | 165.5 | -63.3 | -53.2 | 0 | 0 | 0 | 115.5 | ||||
| 649 | D | 25.8 | Very low | 26.3 | Very low | 102 Ų | 102 | 143.9 Ų | 143.9 | 55% | 0.545 | 72% | 0.719 | S | S | . | * | cis | -155.8 | 155.5 | -3.8 | -136 | -19.1 | 0 | 0 | 0 | 115.1 | ||||
| 650 | Q | 25.1 | Very low | 25.5 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 54% | 0.537 | 73% | 0.727 | S | S | . | * | trans | 46 | 142 | 136.8 | -89.1 | 162.4 | 60.9 | 0 | 0 | 123.7 | ||||
| 651 | K | 24 | Very low | 25.3 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 65% | 0.652 | 73% | 0.726 | S | S | * | * | trans | 77.9 | 150 | 133.2 | -75.5 | 173.9 | -179.6 | 160.2 | 0 | 118.5 | ||||
| 652 | Q | 21.8 | Very low | 25.2 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 70% | 0.696 | 73% | 0.731 | S | S | * | * | cis | -163.3 | 168.8 | -17.9 | -132.3 | 165.5 | -15.5 | 0 | 0 | 110.5 | ||||
| 653 | S | 22.2 | Very low | 25 | Very low | 98 Ų | 98 | 144.8 Ų | 144.8 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | trans | 65.2 | 156 | 142.7 | 62.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 654 | E | 27.8 | Very low | 24.9 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | 65.6 | 99.4 | 167.9 | -55 | -173.5 | 174.1 | 0 | 0 | 116.3 | ||||
| 655 | Q | 25.6 | Very low | 25 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | cis | 63.1 | 132.5 | 5.4 | -159.2 | -178.9 | 47.3 | 0 | 0 | 116.9 | ||||
| 656 | R | 23.5 | Very low | 25 | Very low | 220 Ų | 220 | 145.6 Ų | 145.6 | 83% | 0.83 | 72% | 0.72 | S | S | * | * | trans | 83.5 | 147 | -168.8 | -54.8 | 157.6 | 179.2 | -100.4 | -1 | 111.7 | ||||
| 657 | T | 26.4 | Very low | 24.8 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 66% | 0.663 | 73% | 0.726 | S | S | * | * | cis | -151.6 | 139.4 | -8.5 | 10.8 | 0 | 0 | 0 | 0 | 105 | ||||
| 658 | S | 24.9 | Very low | 24.7 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | 53.9 | 78.4 | 57.3 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 659 | E | 25 | Very low | 24.6 | Very low | 172 Ų | 172 | 142.3 Ų | 142.3 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | 179.3 | 102.7 | 146.9 | -96.9 | 147.6 | -135.2 | 0 | 0 | 106 | ||||
| 660 | E | 22.8 | Very low | 24.4 | Very low | 192 Ų | 192 | 141.6 Ų | 141.6 | 90% | 0.897 | 72% | 0.723 | S | S | * | * | 78.6 | 136 | 77 | -73.8 | -161.9 | 159 | 0 | 0 | 113.3 | |||||
| 661 | G | 25.9 | Very low | 24.3 | Very low | 71 Ų | 71 | 143.6 Ų | 143.6 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | trans | -82.8 | 137.6 | -159.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 662 | T | 27 | Very low | 24.5 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 87% | 0.871 | 74% | 0.743 | S | S | * | * | trans | -120.6 | 86.8 | 145.7 | -53.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 663 | F | 20.5 | Very low | 25.1 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | 60.3 | 120.8 | 65 | -163.8 | -124.3 | 0 | 0 | 0 | 112.2 | |||||
| 664 | K | 23.4 | Very low | 25.3 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | trans | 74.1 | 119.3 | 170.6 | -71.3 | -178.5 | 170.3 | 175.8 | 0 | 119.2 | ||||
| 665 | H | 26.4 | Very low | 25.5 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 75% | 0.75 | 75% | 0.75 | S | S | * | * | trans | 72.6 | 104.8 | 133.9 | -79 | -72.7 | 0 | 0 | 0 | 120.2 | ||||
| 666 | S | 24.4 | Very low | 25.6 | Very low | 74 Ų | 74 | 143.6 Ų | 143.6 | 52% | 0.517 | 76% | 0.756 | S | S | . | * | 38.9 | 106.4 | 122.4 | 60.4 | 0 | 0 | 0 | 0 | 118.4 | N668 | S666-N668 PolarHBondContact O-ND2 2.92Š| |||
| 667 | D | 23.8 | Very low | 25.9 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | -115.2 | 127.6 | 114.6 | -82 | -49.8 | 0 | 0 | 0 | 108.1 | |||||
| 668 | N | 23.9 | Very low | 25.8 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 52% | 0.524 | 75% | 0.748 | S | S | . | * | cis | 87.6 | 82.8 | 46 | -68.1 | -37.2 | 0 | 0 | 0 | 113.4 | S666 V670 | S666-N668 PolarHBondContact O-ND2 2.92Å; N668-V670 HydrophobicContact CB-CG2 3.61Å | ||
| 669 | F | 25.5 | Very low | 25.8 | Very low | 211 Ų | 211 | 141.1 Ų | 141.1 | 93% | 0.925 | 74% | 0.744 | S | S | * | * | trans | -152 | 68.2 | 134.7 | -138.8 | -95.4 | 0 | 0 | 0 | 110 | ||||
| 670 | V | 23.2 | Very low | 25.9 | Very low | 87 Ų | 87 | 139 Ų | 139 | 53% | 0.527 | 74% | 0.737 | S | S | . | * | 80.8 | 126.1 | 68 | 177.6 | 0 | 0 | 0 | 0 | 113.3 | N668 | N668-V670 HydrophobicContact CB-CG2 3.61Š| |||
| 671 | D | 22 | Very low | 26.1 | Very low | 158 Ų | 158 | 139 Ų | 139 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | trans | -30.3 | 119.7 | 169.1 | -53.1 | -66.3 | 0 | 0 | 0 | 116.4 | ||||
| 672 | S | 29.1 | Very low | 26.5 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | trans | -152.2 | 150.1 | 145.4 | -155.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 673 | L | 33.6 | Very low | 26.7 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | trans | 59.8 | 82.4 | -167.5 | -50.4 | 174.6 | 0 | 0 | 0 | 112.4 | ||||
| 674 | S | 26.9 | Very low | 27.2 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | cis | 55.4 | 89.6 | 25.6 | -166.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 675 | T | 31.7 | Very low | 27.4 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 77% | 0.767 | 74% | 0.739 | S | S | * | * | trans | -156.5 | 104.3 | 146.2 | -75.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 676 | R | 26.9 | Very low | 27.5 | Very low | 241 Ų | 241 | 141.3 Ų | 141.3 | 91% | 0.909 | 74% | 0.738 | S | S | * | * | trans | -70.1 | 136.9 | 150.4 | -141.5 | -175.8 | -176.8 | -177.3 | 0.6 | 105.2 | ||||
| 677 | P | 30.4 | Very low | 27.7 | Very low | 93 Ų | 93 | 143.3 Ų | 143.3 | 60% | 0.604 | 75% | 0.752 | S | S | * | * | -146.4 | 154.9 | 85.8 | 39.9 | -25.4 | 0 | 0 | 0 | 115.2 | |||||
| 678 | M | 24.6 | Very low | 27.8 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | trans | 64.2 | 147.8 | 137.4 | -71.7 | 171.9 | 71 | 0 | 0 | 120.5 | ||||
| 679 | E | 24.5 | Very low | 28.4 | Very low | 141 Ų | 141 | 146.4 Ų | 146.4 | 66% | 0.659 | 77% | 0.767 | S | S | * | * | cis | -174.3 | 165.7 | -26.2 | -127.1 | 168 | -150.4 | 0 | 0 | 107.6 | ||||
| 680 | I | 26.3 | Very low | 29 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 65% | 0.651 | 76% | 0.757 | S | S | * | * | trans | 59 | 105.1 | 152.2 | -64.7 | 165 | 0 | 0 | 0 | 114.8 | ||||
| 681 | K | 29 | Very low | 29.1 | Very low | 193 Ų | 193 | 144.9 Ų | 144.9 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | cis | -157.1 | 161.8 | 23.4 | -95.2 | 147.4 | 178.8 | 162.5 | 0 | 110.8 | ||||
| 682 | H | 32.6 | Very low | 29.3 | Very low | 157 Ų | 157 | 145.8 Ų | 145.8 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -60.2 | 153.4 | 162.9 | -72 | -79.1 | 0 | 0 | 0 | 112.7 | D684 | H682-D684 IonicContact CE1-OD2 3.46Å; H682-D684 IonicContact CG-OD2 3.39Å; H682-D684 IonicContact ND1-OD2 3.58Å; H682-D684 PolarHBondContact ND1-OD2 3.34Å | ||
| 683 | N | 31.2 | Very low | 29.1 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 91% | 0.914 | 77% | 0.772 | S | S | * | * | trans | -155.8 | 76.4 | 141.6 | -101.3 | -3.8 | 0 | 0 | 0 | 107 | ||||
| 684 | D | 31.4 | Very low | 29 | Very low | 117 Ų | 117 | 147 Ų | 147 | 63% | 0.626 | 77% | 0.765 | S | S | * | * | trans | -98.2 | 104.3 | 174.8 | -61 | -78.4 | 0 | 0 | 0 | 108.9 | H682 | H682-D684 IonicContact CE1-OD2 3.46Å; H682-D684 IonicContact CG-OD2 3.39Å; H682-D684 IonicContact ND1-OD2 3.58Å; H682-D684 PolarHBondContact ND1-OD2 3.34Å | ||
| 685 | D | 27.9 | Very low | 29.1 | Very low | 155 Ų | 155 | 149.3 Ų | 149.3 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | -167.7 | 105.8 | 163.4 | -96.1 | -33.8 | 0 | 0 | 0 | 105.8 | ||||
| 686 | I | 29.5 | Very low | 29 | Very low | 140 Ų | 140 | 150.3 Ų | 150.3 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | 83.2 | 117.3 | 50.6 | -59.6 | 176.6 | 0 | 0 | 0 | 113.7 | |||||
| 687 | S | 27.6 | Very low | 29.3 | Very low | 116 Ų | 116 | 147 Ų | 147 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | 74.9 | 146.8 | 159.1 | 72.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 688 | E | 25.1 | Very low | 29.2 | Very low | 182 Ų | 182 | 148.2 Ų | 148.2 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | -93.5 | 135.9 | 176.7 | -64 | 164.4 | 99.5 | 0 | 0 | 111 | ||||
| 689 | V | 38.3 | Very low | 29.5 | Very low | 136 Ų | 136 | 148.3 Ų | 148.3 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | 38.6 | 111 | 146.5 | -170.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 690 | P | 36.5 | Very low | 29.8 | Very low | 111 Ų | 111 | 149 Ų | 149 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | -156.9 | 150.2 | 75.4 | 39.1 | -18.7 | 0 | 0 | 0 | 119.8 | |||||
| 691 | L | 26.5 | Very low | 29.7 | Very low | 156 Ų | 156 | 150.4 Ų | 150.4 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | 49.4 | 127.2 | 145.5 | -69.4 | 175.3 | 0 | 0 | 0 | 123.7 | ||||
| 692 | Q | 26.1 | Very low | 29.7 | Very low | 176 Ų | 176 | 145.3 Ų | 145.3 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | 86.3 | 107.5 | 142.3 | -72.7 | -179.1 | -10.9 | 0 | 0 | 122.3 | ||||
| 693 | M | 25.5 | Very low | 29.6 | Very low | 163 Ų | 163 | 142.6 Ų | 142.6 | 80% | 0.803 | 78% | 0.776 | S | S | * | * | 79 | 98.4 | 121.2 | -164.4 | 77.6 | 162.2 | 0 | 0 | 120 | |||||
| 694 | N | 29.9 | Very low | 29.6 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | -177.9 | 153 | 119.5 | -103.7 | -62.3 | 0 | 0 | 0 | 117 | |||||
| 695 | Q | 30.1 | Very low | 29.3 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | 66 | 107.2 | 148.8 | -67.4 | 174.3 | 21.7 | 0 | 0 | 123.9 | ||||
| 696 | I | 28.3 | Very low | 29.1 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | 46 | 117.8 | 112.6 | -57.6 | 166.1 | 0 | 0 | 0 | 118.4 | |||||
| 697 | Q | 33.5 | Very low | 29.3 | Very low | 171 Ų | 171 | 141 Ų | 141 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | 168.3 | 119.9 | 99.2 | -141.3 | 161 | 26.6 | 0 | 0 | 113.7 | |||||
| 698 | S | 28.8 | Very low | 29.6 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -160.5 | 128.5 | 159.3 | 62.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 699 | N | 30.3 | Very low | 29.8 | Very low | 149 Ų | 149 | 140 Ų | 140 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | -89.1 | 144.4 | -174.1 | -53.1 | -65.8 | 0 | 0 | 0 | 112.5 | ||||
| 700 | L | 30.8 | Very low | 29.2 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | -165 | 142.9 | 110.6 | -146 | 58.5 | 0 | 0 | 0 | 114.5 | |||||
| 701 | L | 24.7 | Very low | 28.8 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | trans | -18.6 | 152.6 | 157.9 | -55.3 | 167 | 0 | 0 | 0 | 117.3 | ||||
| 702 | S | 29.7 | Very low | 28.8 | Very low | 86 Ų | 86 | 140.4 Ų | 140.4 | 60% | 0.601 | 75% | 0.747 | S | S | * | * | cis | -166.4 | 140.2 | -3.7 | 167.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 703 | S | 29.6 | Very low | 30 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | -176.9 | 132.2 | 85.8 | -68.1 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 704 | K | 30.6 | Very low | 30.2 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | 50.2 | 127.2 | 96.5 | -61 | -173.9 | 178.3 | 177.1 | 0 | 114 | |||||
| 705 | N | 25.7 | Very low | 30.1 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | cis | -161.3 | 148.8 | 12.3 | -120.1 | 8.2 | 0 | 0 | 0 | 114.1 | ||||
| 706 | T | 24.7 | Very low | 30.3 | Very low | 115 Ų | 115 | 139 Ų | 139 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | 41.9 | 123 | 145.2 | 60.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 707 | V | 32.8 | Very low | 30.4 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | 173.6 | 152.6 | 108.3 | 150.1 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 708 | L | 33.9 | Very low | 30.4 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | cis | -136.4 | -108.4 | 20 | -146.3 | 161.5 | 0 | 0 | 0 | 112.7 | ||||
| 709 | L | 30.6 | Very low | 30.2 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | trans | -147.1 | -179.2 | -170.4 | -102.8 | 62.4 | 0 | 0 | 0 | 108.4 | ||||
| 710 | E | 25.1 | Very low | 29.9 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 65% | 0.654 | 73% | 0.734 | S | S | * | * | cis | 176.8 | 176.9 | -33.7 | -112.3 | -163.3 | 169.2 | 0 | 0 | 108.3 | ||||
| 711 | K | 28.8 | Very low | 29.6 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | 81.9 | 113.5 | 148.3 | -82.9 | 165.7 | 179.4 | 107.6 | 0 | 122.8 | ||||
| 712 | S | 25.4 | Very low | 29.8 | Very low | 104 Ų | 104 | 135 Ų | 135 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | -57.8 | 152.6 | 131.3 | 55.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 713 | P | 52 | Low | 29.6 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 69% | 0.688 | 73% | 0.726 | S | S | * | * | -158.3 | -172.8 | 72.1 | 42.1 | -20.9 | 0 | 0 | 0 | 117.7 | |||||
| 714 | K | 28.7 | Very low | 29.3 | Very low | 194 Ų | 194 | 137.2 Ų | 137.2 | 84% | 0.843 | 73% | 0.728 | S | S | * | * | trans | 74 | 135.9 | 165.7 | -64 | -178.1 | -177.9 | -174.2 | 0 | 116.4 | ||||
| 715 | H | 27.2 | Very low | 29.4 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | cis | 74.7 | 147.8 | 10.4 | -153.5 | -80.9 | 0 | 0 | 0 | 118.2 | ||||
| 716 | L | 35.2 | Very low | 29.3 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 69% | 0.686 | 74% | 0.736 | S | S | * | * | trans | 104.8 | 110.5 | 161.6 | -149.5 | 76.3 | 0 | 0 | 0 | 117.6 | ||||
| 717 | D | 30.4 | Very low | 29.6 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | trans | 34.7 | 130 | 140.7 | -45.5 | -22.3 | 0 | 0 | 0 | 122.4 | ||||
| 718 | S | 33.2 | Very low | 29.2 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | trans | -73.9 | 133.6 | 152.2 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 719 | N | 24 | Very low | 29 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | trans | 174.6 | 95.4 | 137.5 | -85.2 | -15.1 | 0 | 0 | 0 | 106.8 | ||||
| 720 | E | 25.4 | Very low | 28.9 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | 79.6 | 139.9 | 76.6 | -158.9 | -171 | -121.1 | 0 | 0 | 113.4 | |||||
| 721 | T | 24.8 | Very low | 28.8 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 64% | 0.644 | 75% | 0.748 | S | S | * | * | trans | 86.5 | 141.3 | 169.3 | 79 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 722 | M | 28.7 | Very low | 28.9 | Very low | 161 Ų | 161 | 131 Ų | 131 | 79% | 0.793 | 76% | 0.756 | S | S | * | * | trans | 73.4 | 137.4 | 160.2 | -49.3 | -47.5 | 173.1 | 0 | 0 | 121.1 | ||||
| 723 | S | 24.3 | Very low | 28.8 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | cis | -173.8 | 151.8 | -34.7 | -115.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 724 | L | 24.4 | Very low | 27.9 | Very low | 144 Ų | 144 | 133.4 Ų | 133.4 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | 45.9 | 101.4 | 141.8 | -59 | 167.2 | 0 | 0 | 0 | 120.2 | ||||
| 725 | S | 32 | Very low | 27.8 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | -169.5 | 115.8 | 121.5 | 29.7 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 726 | N | 24.4 | Very low | 27.7 | Very low | 154 Ų | 154 | 129.1 Ų | 129.1 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | 66.3 | 78.5 | 71 | -73.3 | -1.8 | 0 | 0 | 0 | 114.5 | |||||
| 727 | S | 31.7 | Very low | 27.8 | Very low | 117 Ų | 117 | 127.3 Ų | 127.3 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -132 | 75.5 | 147.1 | 66.4 | 0 | 0 | 0 | 0 | 109.7 | A729 | S727-A729 PolarHBondContact O-N 2.88Š| ||
| 728 | A | 23.2 | Very low | 28 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 89% | 0.893 | 75% | 0.746 | S | S | * | * | trans | -72.1 | 121.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 729 | A | 30.8 | Very low | 27.6 | Very low | 86 Ų | 86 | 129.4 Ų | 129.4 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | -137.6 | 103.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.5 | S727 | S727-A729 PolarHBondContact O-N 2.88Š| ||
| 730 | T | 27.6 | Very low | 27.8 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | 67.9 | 79.7 | 121.3 | -45.2 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 731 | T | 23.6 | Very low | 28 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 69% | 0.693 | 76% | 0.756 | S | S | * | * | 26.3 | 120.9 | 118.2 | 59.4 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 732 | Q | 30.6 | Very low | 28.2 | Very low | 190 Ų | 190 | 128.2 Ų | 128.2 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | -153.8 | 103.5 | 128.9 | -119.7 | 170.2 | 10.5 | 0 | 0 | 111.7 | |||||
| 733 | D | 23.2 | Very low | 28 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | -65.6 | 129.8 | 165 | -65.1 | -90.3 | 0 | 0 | 0 | 110.5 | ||||
| 734 | V | 32.9 | Very low | 28.3 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | trans | -121.4 | 68.8 | 155 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | I736 | V734-I736 HydrophobicContact CG1-CD1 3.74Å; V734-I736 HydrophobicContact CG1-CG1 3.9Å; V734-I736 PolarHBondContact O-N 3.17Å; V734-I736 VanDerWaalsContact O-N 3.1Å | ||
| 735 | N | 26.2 | Very low | 28.7 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | -72.8 | 95.1 | 173 | -178.5 | 6.8 | 0 | 0 | 0 | 109.5 | ||||
| 736 | I | 26.2 | Very low | 28.4 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 66% | 0.662 | 77% | 0.768 | S | S | * | * | trans | -115.8 | 101.4 | 170.6 | -57.6 | 177.4 | 0 | 0 | 0 | 108.6 | V734 P738 | V734-I736 HydrophobicContact CG1-CD1 3.74Å; V734-I736 HydrophobicContact CG1-CG1 3.9Å; V734-I736 PolarHBondContact O-N 3.17Å; V734-I736 VanDerWaalsContact O-N 3.1Å; I736-P738 HydrophobicContact CG2-CG 4.26Å; I736-P738 WeakPolarHBondContact O-CD 3.42Å | ||
| 737 | C | 35.7 | Very low | 28.7 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 63% | 0.628 | 77% | 0.769 | S | S | * | * | trans | -103.6 | 94.3 | 163.1 | 170.4 | 0 | 0 | 0 | 0 | 108.9 | Q739 | C737-Q739 PolarHBondContact O-N 3.01Š| ||
| 738 | P | 35.1 | Very low | 28.5 | Very low | 108 Ų | 108 | 134 Ų | 134 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | -87.2 | 100.3 | 176.6 | 32.4 | -23.8 | 0 | 0 | 0 | 108.9 | I736 G740 | I736-P738 HydrophobicContact CG2-CG 4.26Å; I736-P738 WeakPolarHBondContact O-CD 3.42Å; P738-G740 PolarHBondContact O-N 2.91Å; P738-G740 VanDerWaalsContact O-N 3.11Å | ||
| 739 | Q | 25.2 | Very low | 28.9 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -70.8 | 105.4 | 177 | -69.3 | 176.9 | -15.9 | 0 | 0 | 110.5 | C737 L741 | C737-Q739 PolarHBondContact O-N 3.01Å; Q739-L741 VanDerWaalsContact C-N 3.28Å; Q739-L741 PolarHBondContact O-N 3.41Å | ||
| 740 | G | 27.5 | Very low | 29.1 | Very low | 88 Ų | 88 | 138.1 Ų | 138.1 | 91% | 0.907 | 75% | 0.754 | S | S | * | * | trans | -73.5 | 71.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P738 | P738-G740 PolarHBondContact O-N 2.91Å; P738-G740 VanDerWaalsContact O-N 3.11Å | ||
| 741 | L | 31.2 | Very low | 29.6 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | trans | -136.5 | 71.6 | 171.7 | -152.1 | 175.3 | 0 | 0 | 0 | 111.5 | Q739 | Q739-L741 VanDerWaalsContact C-N 3.28Å; Q739-L741 PolarHBondContact O-N 3.41Å | ||
| 742 | L | 27.5 | Very low | 30.3 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | trans | -134.9 | 118.8 | 163.8 | -77.2 | 174.1 | 0 | 0 | 0 | 107 | ||||
| 743 | F | 25.7 | Very low | 30.9 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | 77.8 | 136.4 | 82.1 | -103.1 | -115.1 | 0 | 0 | 0 | 113.6 | |||||
| 744 | I | 30 | Very low | 31.8 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | 72.3 | 134 | 158.9 | -63.1 | 158.1 | 0 | 0 | 0 | 116.2 | ||||
| 745 | P | 31.8 | Very low | 32.7 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | cis | -134.1 | -178.1 | -25.4 | 36.6 | -17.6 | 0 | 0 | 0 | 114.3 | T747 | P745-T747 PolarHBondContact O-N 3.39Š| ||
| 746 | K | 25.6 | Very low | 34.2 | Very low | 186 Ų | 186 | 128 Ų | 128 | 81% | 0.809 | 70% | 0.699 | S | S | * | * | trans | -59.2 | 124.2 | 166 | -55.1 | 154.3 | -176.6 | 171.1 | 0 | 110.9 | ||||
| 747 | T | 30.6 | Very low | 35.6 | Very low | 138 Ų | 138 | 124 Ų | 124 | 85% | 0.847 | 69% | 0.688 | S | S | * | * | trans | -103.6 | 116.9 | 141.5 | 41.4 | 0 | 0 | 0 | 0 | 108.8 | P745 | P745-T747 PolarHBondContact O-N 3.39Š| ||
| 748 | E | 29.2 | Very low | 36.6 | Very low | 149 Ų | 149 | 124.5 Ų | 124.5 | 70% | 0.696 | 69% | 0.689 | S | S | * | * | trans | 38.5 | 92 | 170.3 | -58.5 | -152.6 | 172.7 | 0 | 0 | 118.7 | K750 | E748-K750 VanDerWaalsContact C-N 3.3Å; E748-K750 PolarHBondContact O-N 2.98Å; E748-K750 IonicContact OE2-NZ 2.87Å; E748-K750 PolarHBondContact OE2-NZ 3.1Å | ||
| 749 | V | 30 | Very low | 37.9 | Very low | 112 Ų | 112 | 122.9 Ų | 122.9 | 68% | 0.679 | 67% | 0.671 | S | S | * | * | trans | -57.5 | 94.1 | 153.4 | 178.9 | 0 | 0 | 0 | 0 | 109.6 | S751 | V749-S751 VanDerWaalsContact C-N 3.3Å; V749-S751 WeakPolarHBondContact CG1-OG 3.27Å | ||
| 750 | K | 35.5 | Very low | 39.2 | Very low | 167 Ų | 167 | 117.4 Ų | 117.4 | 73% | 0.726 | 65% | 0.647 | S | S | * | * | trans | -100.2 | 64.6 | 147.8 | -77.2 | 175.5 | -178.9 | 113.6 | 0 | 108.3 | E748 R752 | E748-K750 VanDerWaalsContact C-N 3.3Å; E748-K750 PolarHBondContact O-N 2.98Å; E748-K750 IonicContact OE2-NZ 2.87Å; E748-K750 PolarHBondContact OE2-NZ 3.1Å; K750-R752 PolarHBondContact O-N 3.12Å | ||
| 751 | S | 37.9 | Very low | 40.6 | Very low | 83 Ų | 83 | 119.5 Ų | 119.5 | 58% | 0.58 | 63% | 0.632 | S | S | * | * | trans | -51.1 | 108.2 | 162 | 50.6 | 0 | 0 | 0 | 0 | 108 | V749 I753 | V749-S751 VanDerWaalsContact C-N 3.3Å; V749-S751 WeakPolarHBondContact CG1-OG 3.27Å; S751-I753 PolarHBondContact O-N 3.22Å | ||
| 752 | R | 39 | Very low | 41.7 | Very low | 153 Ų | 153 | 117.5 Ų | 117.5 | 58% | 0.577 | 62% | 0.619 | S | S | * | * | trans | -63.1 | 97 | 162.7 | -81.1 | -175 | 157.8 | -157.6 | -8.2 | 106.4 | K750 H756 M760 | K750-R752 PolarHBondContact O-N 3.12Å; R752-H756 HydrophobicContact CB-CB 4.24Å; R752-H756 VanDerWaalsContact CZ-NE2 3.29Å; R752-H756 PolarHBondContact NE-CD2 3.41Å; R752-H756 PolarHBondContact NE-NE2 2.84Å; R752-H756 PolarHBondContact NH2-NE2 2.83Å; R752-M760 PolarHBondContact NH1-SD 3.01Å; R752-M760 VanDerWaalsContact NH1-SD 3.43Å; R752-M760 PolarHBondContact NH2-SD 3.09Å | ||
| 753 | I | 43.3 | Very low | 42.9 | Very low | 115 Ų | 115 | 116 Ų | 116 | 59% | 0.59 | 61% | 0.606 | S | S | * | * | trans | -42.2 | 135.7 | 175.4 | -64 | 167.6 | 0 | 0 | 0 | 108.1 | S751 G755 H756 | S751-I753 PolarHBondContact O-N 3.22Å; I753-G755 VanDerWaalsContact C-N 3.33Å; I753-G755 CarbonylContact O-C 3.41Å; I753-G755 PolarHBondContact O-N 3.48Å; I753-H756 HydrophobicContact CB-CB 4.48Å; I753-H756 WeakPolarHBondContact O-CA 3.1Å; I753-H756 WeakPolarHBondContact O-CB 3.28Å; I753-H756 PolarHBondContact O-N 2.91Å | ||
| 754 | P | 42.5 | Very low | 43.9 | Very low | 136 Ų | 136 | 113.8 Ų | 113.8 | 88% | 0.883 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | 98.3 | 166.5 | -23.4 | 35.4 | 0 | 0 | 0 | 108.5 | ||
| 755 | G | 50.3 | Low | 44.9 | Very low | 31 Ų | 31 | 110.5 Ų | 110.5 | 32% | 0.32 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 136.6 | -35.6 | -159.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I753 G757 V758 H759 | I753-G755 VanDerWaalsContact C-N 3.33Å; I753-G755 CarbonylContact O-C 3.41Å; I753-G755 PolarHBondContact O-N 3.48Å; G755-G757 VanDerWaalsContact C-N 3.33Å; G755-V758 CarbonylContact O-C 3.56Å; G755-V758 PolarHBondContact O-N 2.94Å; G755-H759 VanDerWaalsContact O-CB 3.24Å; G755-H759 WeakPolarHBondContact O-CB 3.1Å; G755-H759 PolarHBondContact O-N 3.46Å |
| 756 | H | 57.9 | Low | 45.3 | Very low | 97 Ų | 97 | 108.6 Ų | 108.6 | 45% | 0.449 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70 | -31.2 | 162.1 | -171 | 103 | 0 | 0 | 0 | 111.3 | R752 I753 V758 M760 | R752-H756 HydrophobicContact CB-CB 4.24Å; R752-H756 VanDerWaalsContact CZ-NE2 3.29Å; R752-H756 PolarHBondContact NE-CD2 3.41Å; R752-H756 PolarHBondContact NE-NE2 2.84Å; R752-H756 PolarHBondContact NH2-NE2 2.83Å; I753-H756 HydrophobicContact CB-CB 4.48Å; I753-H756 WeakPolarHBondContact O-CA 3.1Å; I753-H756 WeakPolarHBondContact O-CB 3.28Å; I753-H756 PolarHBondContact O-N 2.91Å; H756-V758 VanDerWaalsContact C-N 3.31Å; H756-M760 WeakPolarHBondContact O-CB 3.42Å; H756-M760 PolarHBondContact O-N 2.94Å |
| 757 | G | 55.5 | Low | 46 | Very low | 43 Ų | 43 | 108.9 Ų | 108.9 | 44% | 0.443 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -57.9 | -46 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G755 H761 | G755-G757 VanDerWaalsContact C-N 3.33Å; G757-H761 WeakPolarHBondContact O-CB 3.32Å; G757-H761 PolarHBondContact O-N 3.37Å |
| 758 | V | 57.5 | Low | 46.5 | Very low | 105 Ų | 105 | 107.7 Ų | 107.7 | 64% | 0.636 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.7 | -43.7 | 177.1 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | G755 H756 M760 H761 E762 | G755-V758 CarbonylContact O-C 3.56Å; G755-V758 PolarHBondContact O-N 2.94Å; H756-V758 VanDerWaalsContact C-N 3.31Å; V758-M760 PolarHBondContact O-N 3.3Å; V758-H761 CarbonylContact O-C 3.5Å; V758-H761 WeakPolarHBondContact O-CB 3.46Å; V758-H761 PolarHBondContact O-N 3.26Å; V758-E762 VanDerWaalsContact O-CB 3.28Å; V758-E762 WeakPolarHBondContact O-CB 3.46Å; V758-E762 PolarHBondContact O-N 2.9Å |
| 759 | H | 61.6 | Low | 47.1 | Very low | 73 Ų | 73 | 107.9 Ų | 107.9 | 34% | 0.338 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -74.9 | -22.7 | -179.3 | -172.9 | 60.7 | 0 | 0 | 0 | 113.3 | G755 E762 K763 | G755-H759 VanDerWaalsContact O-CB 3.24Å; G755-H759 WeakPolarHBondContact O-CB 3.1Å; G755-H759 PolarHBondContact O-N 3.46Å; H759-E762 IonicContact CE1-OE2 2.75Å; H759-E762 IonicContact CG-OE2 3.21Å; H759-E762 IonicContact ND1-OE2 2.63Å; H759-E762 PolarHBondContact ND1-OE2 2.92Å; H759-K763 WeakPolarHBondContact NE2-CE 3.47Å; H759-K763 PolarHBondContact NE2-NZ 3.34Å; H759-K763 WeakPolarHBondContact O-CB 3.49Å; H759-K763 WeakPolarHBondContact O-CG 3.08Å; H759-K763 PolarHBondContact O-N 3.24Å |
| 760 | M | 54 | Low | 47.8 | Very low | 58 Ų | 58 | 112.3 Ų | 112.3 | 29% | 0.286 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -83.8 | -32.4 | 168.5 | -163.1 | -139.6 | 66.6 | 0 | 0 | 111.3 | R752 H756 V758 E762 K763 L764 | R752-M760 PolarHBondContact NH1-SD 3.01Å; R752-M760 VanDerWaalsContact NH1-SD 3.43Å; R752-M760 PolarHBondContact NH2-SD 3.09Å; H756-M760 WeakPolarHBondContact O-CB 3.42Å; H756-M760 PolarHBondContact O-N 2.94Å; V758-M760 PolarHBondContact O-N 3.3Å; M760-E762 VanDerWaalsContact C-N 3.31Å; M760-K763 PolarHBondContact O-N 2.68Å; M760-L764 HydrophobicContact CE-CD1 3.6Å; M760-L764 HydrophobicContact CE-CG 4.2Å; M760-L764 WeakPolarHBondContact O-CB 3.43Å; M760-L764 VanDerWaalsContact O-CG 3.31Å; M760-L764 WeakPolarHBondContact O-CG 3.35Å; M760-L764 PolarHBondContact O-N 2.71Å; M760-L764 HydrophobicContact SD-CD1 4.46Å |
| 761 | H | 57.2 | Low | 48.1 | Very low | 131 Ų | 131 | 111.4 Ų | 111.4 | 61% | 0.606 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -59.3 | -47.1 | 164 | -175.3 | -43.8 | 0 | 0 | 0 | 109.7 | G757 V758 L764 S765 | G757-H761 WeakPolarHBondContact O-CB 3.32Å; G757-H761 PolarHBondContact O-N 3.37Å; V758-H761 CarbonylContact O-C 3.5Å; V758-H761 WeakPolarHBondContact O-CB 3.46Å; V758-H761 PolarHBondContact O-N 3.26Å; H761-L764 CarbonylContact O-C 3.54Å; H761-L764 PolarHBondContact O-N 2.98Å; H761-S765 WeakPolarHBondContact O-CB 3.46Å; H761-S765 PolarHBondContact O-N 2.98Å; H761-S765 PolarHBondContact O-OG 3.37Å |
| 762 | E | 52.9 | Low | 48.9 | Very low | 105 Ų | 105 | 110.8 Ų | 110.8 | 49% | 0.491 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59.1 | -47.5 | 175.8 | -173.4 | -178.9 | -146.5 | 0 | 0 | 111.2 | V758 H759 M760 L764 S765 A766 | V758-E762 VanDerWaalsContact O-CB 3.28Å; V758-E762 WeakPolarHBondContact O-CB 3.46Å; V758-E762 PolarHBondContact O-N 2.9Å; H759-E762 IonicContact CE1-OE2 2.75Å; H759-E762 IonicContact CG-OE2 3.21Å; H759-E762 IonicContact ND1-OE2 2.63Å; H759-E762 PolarHBondContact ND1-OE2 2.92Å; M760-E762 VanDerWaalsContact C-N 3.31Å; E762-L764 PolarHBondContact O-N 3.48Å; E762-S765 WeakPolarHBondContact CA-OG 3.38Å; E762-S765 PolarHBondContact O-N 3.29Å; E762-S765 PolarHBondContact O-OG 3.46Å; E762-S765 VanDerWaalsContact O-OG 3.08Å; E762-A766 WeakPolarHBondContact O-CA 3.44Å; E762-A766 WeakPolarHBondContact O-CB 3.44Å; E762-A766 PolarHBondContact O-N 3.31Å |
| 763 | K | 52.3 | Low | 49.9 | Very low | 126 Ų | 126 | 106.9 Ų | 106.9 | 55% | 0.548 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.3 | -27 | 176.1 | -82.5 | 173.2 | 167.1 | 160.2 | 0 | 114.2 | H759 M760 R767 | H759-K763 WeakPolarHBondContact NE2-CE 3.47Å; H759-K763 PolarHBondContact NE2-NZ 3.34Å; H759-K763 WeakPolarHBondContact O-CB 3.49Å; H759-K763 WeakPolarHBondContact O-CG 3.08Å; H759-K763 PolarHBondContact O-N 3.24Å; M760-K763 PolarHBondContact O-N 2.68Å; K763-R767 WeakPolarHBondContact O-CB 3.49Å; K763-R767 PolarHBondContact O-N 3.09Å; K763-R767 VanDerWaalsContact O-N 3.16Å |
| 764 | L | 47.7 | Very low | 50.9 | Low | 122 Ų | 122 | 107 Ų | 107 | 64% | 0.639 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -82.5 | -20.4 | 171.9 | -69.7 | -169.5 | 0 | 0 | 0 | 113.8 | M760 H761 E762 | M760-L764 HydrophobicContact CE-CD1 3.6Å; M760-L764 HydrophobicContact CE-CG 4.2Å; M760-L764 WeakPolarHBondContact O-CB 3.43Å; M760-L764 VanDerWaalsContact O-CG 3.31Å; M760-L764 WeakPolarHBondContact O-CG 3.35Å; M760-L764 PolarHBondContact O-N 2.71Å; M760-L764 HydrophobicContact SD-CD1 4.46Å; H761-L764 CarbonylContact O-C 3.54Å; H761-L764 PolarHBondContact O-N 2.98Å; E762-L764 PolarHBondContact O-N 3.48Å |
| 765 | S | 51.4 | Low | 51.7 | Low | 80 Ų | 80 | 102.5 Ų | 102.5 | 56% | 0.559 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -88.8 | -31.4 | 169.1 | 56.4 | 0 | 0 | 0 | 0 | 113 | H761 E762 | H761-S765 WeakPolarHBondContact O-CB 3.46Å; H761-S765 PolarHBondContact O-N 2.98Å; H761-S765 PolarHBondContact O-OG 3.37Å; E762-S765 WeakPolarHBondContact CA-OG 3.38Å; E762-S765 PolarHBondContact O-N 3.29Å; E762-S765 PolarHBondContact O-OG 3.46Å; E762-S765 VanDerWaalsContact O-OG 3.08Å |
| 766 | A | 39.1 | Very low | 52.2 | Low | 71 Ų | 71 | 104 Ų | 104 | 59% | 0.587 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -88.9 | -23 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E762 S768 | E762-A766 WeakPolarHBondContact O-CA 3.44Å; E762-A766 WeakPolarHBondContact O-CB 3.44Å; E762-A766 PolarHBondContact O-N 3.31Å; A766-S768 PolarHBondContact O-N 3.03Å |
| 767 | R | 40.4 | Very low | 52.9 | Low | 192 Ų | 192 | 105.5 Ų | 105.5 | 73% | 0.725 | 56% | 0.556 | S | S | * | * | trans | -78 | 81.4 | 172.9 | -156.5 | 170.1 | -160.3 | -169.8 | 5.9 | 110.9 | K763 K769 | K763-R767 WeakPolarHBondContact O-CB 3.49Å; K763-R767 PolarHBondContact O-N 3.09Å; K763-R767 VanDerWaalsContact O-N 3.16Å; R767-K769 PolarHBondContact O-N 3.13Å | ||
| 768 | S | 41.6 | Very low | 53.9 | Low | 113 Ų | 113 | 107.8 Ų | 107.8 | 79% | 0.79 | 56% | 0.555 | S | S | * | * | trans | -62.8 | 67.8 | 166.5 | -169.9 | 0 | 0 | 0 | 0 | 111.6 | A766 | A766-S768 PolarHBondContact O-N 3.03Š| ||
| 769 | K | 42.7 | Very low | 54.6 | Low | 152 Ų | 152 | 105.8 Ų | 105.8 | 66% | 0.661 | 54% | 0.541 | S | S | * | . | trans | -78.2 | 116.6 | 148.8 | -79.1 | -166 | 170 | -166.4 | 0 | 105.8 | R767 R771 | R767-K769 PolarHBondContact O-N 3.13Å; K769-R771 PolarHBondContact O-N 3.1Å | ||
| 770 | K | 44.2 | Very low | 55.2 | Low | 206 Ų | 206 | 107.6 Ų | 107.6 | 90% | 0.896 | 55% | 0.549 | S | S | * | . | trans | -43.5 | 107.2 | 170 | -63.3 | 178.3 | 179.7 | -178.7 | 0 | 107.9 | S772 | K770-S772 PolarHBondContact O-N 3.31Š| ||
| 771 | R | 42.3 | Very low | 56.4 | Low | 147 Ų | 147 | 109.4 Ų | 109.4 | 56% | 0.555 | 56% | 0.557 | S | S | * | * | trans | -69.2 | 117.6 | 177.7 | -63.6 | -178.3 | -175.2 | 163.1 | 2.6 | 106.2 | K769 I776 | K769-R771 PolarHBondContact O-N 3.1Å; R771-I776 HydrophobicContact CB-CD1 3.99Å; R771-I776 HydrophobicContact CB-CG1 3.71Å; R771-I776 HydrophobicContact CG-CG1 4.28Å | ||
| 772 | S | 52.8 | Low | 57.5 | Low | 71 Ų | 71 | 108.7 Ų | 108.7 | 50% | 0.497 | 55% | 0.552 | S | S | . | * | trans | -56.1 | 148.9 | 161.1 | 48.7 | 0 | 0 | 0 | 0 | 108.2 | K770 N774 S775 I776 | K770-S772 PolarHBondContact O-N 3.31Å; S772-N774 PolarHBondContact O-N 3.37Å; S772-N774 VanDerWaalsContact O-N 3.09Å; S772-S775 PolarHBondContact O-N 2.81Å; S772-I776 PolarHBondContact O-N 3.23Å | ||
| 773 | A | 60.3 | Low | 58.8 | Low | 71 Ų | 71 | 109.1 Ų | 109.1 | 59% | 0.587 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -48.1 | -44.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S775 I776 Q777 | A773-S775 VanDerWaalsContact C-N 3.25Å; A773-S775 PolarHBondContact O-N 3.16Å; A773-S775 VanDerWaalsContact O-N 3.13Å; A773-I776 PolarHBondContact O-N 3.29Å; A773-Q777 WeakPolarHBondContact O-CB 3.33Å; A773-Q777 PolarHBondContact O-N 2.77Å |
| 774 | N | 65 | Low | 60.2 | Low | 116 Ų | 116 | 104.9 Ų | 104.9 | 62% | 0.62 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -47.5 | -39.6 | 175.3 | -43.7 | 36.7 | 0 | 0 | 0 | 113.9 | S772 Q777 E778 | S772-N774 PolarHBondContact O-N 3.37Å; S772-N774 VanDerWaalsContact O-N 3.09Å; N774-Q777 WeakPolarHBondContact O-CB 3.38Å; N774-E778 WeakPolarHBondContact O-CB 3.32Å; N774-E778 PolarHBondContact O-N 2.7Å |
| 775 | S | 58.8 | Low | 61.9 | Low | 43 Ų | 43 | 104.4 Ų | 104.4 | 30% | 0.301 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -83.1 | -27.5 | -177.4 | 179.3 | 0 | 0 | 0 | 0 | 113.1 | S772 A773 I779 | S772-S775 PolarHBondContact O-N 2.81Å; A773-S775 VanDerWaalsContact C-N 3.25Å; A773-S775 PolarHBondContact O-N 3.16Å; A773-S775 VanDerWaalsContact O-N 3.13Å; S775-I779 WeakPolarHBondContact O-CD1 3.33Å; S775-I779 WeakPolarHBondContact O-CG1 3.37Å; S775-I779 PolarHBondContact O-N 2.81Å |
| 776 | I | 60.5 | Low | 63.3 | Low | 63 Ų | 63 | 102.4 Ų | 102.4 | 32% | 0.323 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67 | -49.4 | 164.6 | -72.1 | 168.2 | 0 | 0 | 0 | 108.3 | R771 S772 A773 E778 I779 E780 | R771-I776 HydrophobicContact CB-CD1 3.99Å; R771-I776 HydrophobicContact CB-CG1 3.71Å; R771-I776 HydrophobicContact CG-CG1 4.28Å; S772-I776 PolarHBondContact O-N 3.23Å; A773-I776 PolarHBondContact O-N 3.29Å; I776-E778 PolarHBondContact O-N 3.34Å; I776-I779 PolarHBondContact O-N 3.39Å; I776-E780 HydrophobicContact CG2-CG 3.98Å; I776-E780 VanDerWaalsContact CG2-OE1 3.32Å; I776-E780 WeakPolarHBondContact CG2-OE1 3.44Å; I776-E780 WeakPolarHBondContact O-CB 3.44Å; I776-E780 WeakPolarHBondContact O-CG 3.4Å; I776-E780 PolarHBondContact O-N 3.08Å |
| 777 | Q | 74.2 | Confident | 65.5 | Low | 128 Ų | 128 | 106.2 Ų | 106.2 | 60% | 0.598 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -53.6 | -47 | 179.8 | -152.6 | 172 | 14.2 | 0 | 0 | 111.9 | A773 N774 I779 E780 E781 | A773-Q777 WeakPolarHBondContact O-CB 3.33Å; A773-Q777 PolarHBondContact O-N 2.77Å; N774-Q777 WeakPolarHBondContact O-CB 3.38Å; Q777-I779 PolarHBondContact O-N 3.21Å; Q777-E780 PolarHBondContact O-N 2.73Å; Q777-E781 WeakPolarHBondContact O-CB 3.12Å; Q777-E781 PolarHBondContact O-N 3.24Å |
| 778 | E | 74.7 | Confident | 67.6 | Low | 90 Ų | 90 | 100.6 Ų | 100.6 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -34.9 | 178 | -159.7 | -151.8 | 154.6 | 0 | 0 | 113.4 | N774 I776 K782 | N774-E778 WeakPolarHBondContact O-CB 3.32Å; N774-E778 PolarHBondContact O-N 2.7Å; I776-E778 PolarHBondContact O-N 3.34Å; E778-K782 WeakPolarHBondContact O-CB 3.37Å; E778-K782 WeakPolarHBondContact O-CG 3.13Å; E778-K782 PolarHBondContact O-N 2.72Å; E778-K782 WeakPolarHBondContact OE1-CE 3.43Å; E778-K782 IonicContact OE1-NZ 2.72Å; E778-K782 PolarHBondContact OE1-NZ 3.23Å |
| 779 | I | 72.2 | Confident | 69.9 | Low | 64 Ų | 64 | 100.4 Ų | 100.4 | 33% | 0.328 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -75 | -44.1 | 177 | -67.5 | 170.9 | 0 | 0 | 0 | 110.4 | S775 I776 Q777 E781 K782 Q783 | S775-I779 WeakPolarHBondContact O-CD1 3.33Å; S775-I779 WeakPolarHBondContact O-CG1 3.37Å; S775-I779 PolarHBondContact O-N 2.81Å; I776-I779 PolarHBondContact O-N 3.39Å; Q777-I779 PolarHBondContact O-N 3.21Å; I779-E781 VanDerWaalsContact C-N 3.28Å; I779-E781 PolarHBondContact O-N 3.12Å; I779-K782 CarbonylContact O-C 3.55Å; I779-K782 PolarHBondContact O-N 3.48Å; I779-Q783 WeakPolarHBondContact O-CG 3.16Å; I779-Q783 PolarHBondContact O-N 3.42Å |
| 780 | E | 74.8 | Confident | 71.9 | Confident | 111 Ų | 111 | 102.1 Ų | 102.1 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -37.5 | 173.9 | -73 | 179.3 | 166.1 | 0 | 0 | 111 | I776 Q777 Q783 A784 | I776-E780 HydrophobicContact CG2-CG 3.98Å; I776-E780 VanDerWaalsContact CG2-OE1 3.32Å; I776-E780 WeakPolarHBondContact CG2-OE1 3.44Å; I776-E780 WeakPolarHBondContact O-CB 3.44Å; I776-E780 WeakPolarHBondContact O-CG 3.4Å; I776-E780 PolarHBondContact O-N 3.08Å; Q777-E780 PolarHBondContact O-N 2.73Å; E780-Q783 CarbonylContact O-C 3.57Å; E780-Q783 PolarHBondContact O-N 2.99Å; E780-A784 WeakPolarHBondContact O-CA 3.37Å; E780-A784 WeakPolarHBondContact O-CB 3.4Å; E780-A784 PolarHBondContact O-N 2.99Å |
| 781 | E | 80 | Confident | 73.9 | Confident | 96 Ų | 96 | 98.1 Ų | 98.1 | 45% | 0.449 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.9 | -35.9 | 173.4 | -166.2 | -154.8 | -178.2 | 0 | 0 | 111.5 | Q777 I779 A784 R785 | Q777-E781 WeakPolarHBondContact O-CB 3.12Å; Q777-E781 PolarHBondContact O-N 3.24Å; I779-E781 VanDerWaalsContact C-N 3.28Å; I779-E781 PolarHBondContact O-N 3.12Å; E781-A784 PolarHBondContact O-N 3.36Å; E781-R785 VanDerWaalsContact O-CB 3.3Å; E781-R785 WeakPolarHBondContact O-CB 3.44Å; E781-R785 VanDerWaalsContact O-CG 3.31Å; E781-R785 WeakPolarHBondContact O-CG 3.18Å; E781-R785 PolarHBondContact O-N 3.15Å; E781-R785 PolarHBondContact O-NE 3.11Å; E781-R785 VanDerWaalsContact O-NE 3.13Å; E781-R785 IonicContact OE1-CZ 3.45Å; E781-R785 IonicContact OE1-NH1 3.84Å; E781-R785 PolarHBondContact OE1-NH1 3.45Å; E781-R785 IonicContact OE1-NH2 2.59Å; E781-R785 IonicContact OE2-CZ 3.39Å; E781-R785 IonicContact OE2-NH1 3.68Å; E781-R785 PolarHBondContact OE2-NH1 3.26Å; E781-R785 IonicContact OE2-NH2 2.74Å; E781-R785 PolarHBondContact OE2-NH2 3.33Å |
| 782 | K | 79.4 | Confident | 76 | Confident | 116 Ų | 116 | 96.5 Ų | 96.5 | 50% | 0.504 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 169.3 | -80.4 | 171.9 | 178.7 | 160.5 | 0 | 112.1 | E778 I779 A786 | E778-K782 WeakPolarHBondContact O-CB 3.37Å; E778-K782 WeakPolarHBondContact O-CG 3.13Å; E778-K782 PolarHBondContact O-N 2.72Å; E778-K782 WeakPolarHBondContact OE1-CE 3.43Å; E778-K782 IonicContact OE1-NZ 2.72Å; E778-K782 PolarHBondContact OE1-NZ 3.23Å; I779-K782 CarbonylContact O-C 3.55Å; I779-K782 PolarHBondContact O-N 3.48Å; K782-A786 VanDerWaalsContact O-CB 3.29Å; K782-A786 WeakPolarHBondContact O-CB 3.46Å; K782-A786 PolarHBondContact O-N 2.71Å |
| 783 | Q | 79.7 | Confident | 77.6 | Confident | 113 Ų | 113 | 98.8 Ų | 98.8 | 53% | 0.528 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -75 | -27.7 | 174.2 | -69.2 | -175.6 | 12.1 | 0 | 0 | 113 | I779 E780 R787 | I779-Q783 WeakPolarHBondContact O-CG 3.16Å; I779-Q783 PolarHBondContact O-N 3.42Å; E780-Q783 CarbonylContact O-C 3.57Å; E780-Q783 PolarHBondContact O-N 2.99Å; Q783-R787 WeakPolarHBondContact O-CB 3.4Å; Q783-R787 VanDerWaalsContact O-CG 3.3Å; Q783-R787 WeakPolarHBondContact O-CG 3.41Å; Q783-R787 PolarHBondContact O-N 3.44Å; Q783-R787 PolarHBondContact O-NE 3.44Å |
| 784 | A | 82.6 | Confident | 78.8 | Confident | 37 Ų | 37 | 100.6 Ų | 100.6 | 31% | 0.306 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.3 | -52 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109 | E780 E781 A786 R787 V788 | E780-A784 WeakPolarHBondContact O-CA 3.37Å; E780-A784 WeakPolarHBondContact O-CB 3.4Å; E780-A784 PolarHBondContact O-N 2.99Å; E781-A784 PolarHBondContact O-N 3.36Å; A784-A786 VanDerWaalsContact C-N 3.26Å; A784-A786 PolarHBondContact O-N 3.2Å; A784-R787 CarbonylContact O-C 3.58Å; A784-R787 WeakPolarHBondContact O-CA 3.26Å; A784-R787 PolarHBondContact O-N 2.77Å; A784-V788 WeakPolarHBondContact O-CB 3.5Å; A784-V788 VanDerWaalsContact O-CG2 3.32Å; A784-V788 WeakPolarHBondContact O-CG2 3.25Å; A784-V788 PolarHBondContact O-N 3.16Å |
| 785 | R | 83.2 | Confident | 79.8 | Confident | 112 Ų | 112 | 100.5 Ų | 100.5 | 42% | 0.423 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -51.9 | -42.9 | 170.2 | -77.4 | 176.3 | -73 | -129.2 | -3.5 | 112.1 | E781 L789 | E781-R785 VanDerWaalsContact O-CB 3.3Å; E781-R785 WeakPolarHBondContact O-CB 3.44Å; E781-R785 VanDerWaalsContact O-CG 3.31Å; E781-R785 WeakPolarHBondContact O-CG 3.18Å; E781-R785 PolarHBondContact O-N 3.15Å; E781-R785 PolarHBondContact O-NE 3.11Å; E781-R785 VanDerWaalsContact O-NE 3.13Å; E781-R785 IonicContact OE1-CZ 3.45Å; E781-R785 IonicContact OE1-NH1 3.84Å; E781-R785 PolarHBondContact OE1-NH1 3.45Å; E781-R785 IonicContact OE1-NH2 2.59Å; E781-R785 IonicContact OE2-CZ 3.39Å; E781-R785 IonicContact OE2-NH1 3.68Å; E781-R785 PolarHBondContact OE2-NH1 3.26Å; E781-R785 IonicContact OE2-NH2 2.74Å; E781-R785 PolarHBondContact OE2-NH2 3.33Å; R785-L789 WeakPolarHBondContact O-CB 3.49Å; R785-L789 PolarHBondContact O-N 2.69Å |
| 786 | A | 79.7 | Confident | 81.2 | Confident | 39 Ų | 39 | 102.7 Ų | 102.7 | 32% | 0.322 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -73.5 | -23.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K782 A784 R790 | K782-A786 VanDerWaalsContact O-CB 3.29Å; K782-A786 WeakPolarHBondContact O-CB 3.46Å; K782-A786 PolarHBondContact O-N 2.71Å; A784-A786 VanDerWaalsContact C-N 3.26Å; A784-A786 PolarHBondContact O-N 3.2Å; A786-R790 WeakPolarHBondContact O-CD 3.19Å; A786-R790 WeakPolarHBondContact O-CG 3.49Å; A786-R790 PolarHBondContact O-N 3.39Å; A786-R790 PolarHBondContact O-NE 3.26Å |
| 787 | R | 85.5 | Confident | 82.4 | Confident | 150 Ų | 150 | 107.3 Ų | 107.3 | 57% | 0.566 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -80.2 | -44.9 | 171.2 | -82.6 | -179 | -74.3 | 175.2 | -3.9 | 111.3 | Q783 A784 R790 Q791 | Q783-R787 WeakPolarHBondContact O-CB 3.4Å; Q783-R787 VanDerWaalsContact O-CG 3.3Å; Q783-R787 WeakPolarHBondContact O-CG 3.41Å; Q783-R787 PolarHBondContact O-N 3.44Å; Q783-R787 PolarHBondContact O-NE 3.44Å; A784-R787 CarbonylContact O-C 3.58Å; A784-R787 WeakPolarHBondContact O-CA 3.26Å; A784-R787 PolarHBondContact O-N 2.77Å; R787-R790 CarbonylContact O-C 3.49Å; R787-R790 PolarHBondContact O-N 2.93Å; R787-Q791 PolarHBondContact O-N 2.76Å |
| 788 | V | 85.8 | Confident | 82.8 | Confident | 74 Ų | 74 | 105 Ų | 105 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 172.1 | 170.5 | 0 | 0 | 0 | 0 | 110.2 | A784 R790 Q791 Q792 | A784-V788 WeakPolarHBondContact O-CB 3.5Å; A784-V788 VanDerWaalsContact O-CG2 3.32Å; A784-V788 WeakPolarHBondContact O-CG2 3.25Å; A784-V788 PolarHBondContact O-N 3.16Å; V788-R790 VanDerWaalsContact C-N 3.33Å; V788-R790 PolarHBondContact O-N 2.85Å; V788-Q791 CarbonylContact O-C 3.55Å; V788-Q791 PolarHBondContact O-N 2.91Å; V788-Q791 VanDerWaalsContact O-N 3.15Å; V788-Q792 HydrophobicContact CG1-CG 4.43Å; V788-Q792 WeakPolarHBondContact O-CB 3.05Å; V788-Q792 WeakPolarHBondContact O-CG 3.11Å; V788-Q792 PolarHBondContact O-N 2.75Å |
| 789 | L | 88.7 | Confident | 83.3 | Confident | 109 Ų | 109 | 106.8 Ų | 106.8 | 57% | 0.571 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.4 | -34.9 | 177 | -169.5 | 69.5 | 0 | 0 | 0 | 112.1 | R785 H793 | R785-L789 WeakPolarHBondContact O-CB 3.49Å; R785-L789 PolarHBondContact O-N 2.69Å; L789-H793 WeakPolarHBondContact O-CB 3.39Å; L789-H793 PolarHBondContact O-N 2.93Å |
| 790 | R | 86.4 | Confident | 84 | Confident | 188 Ų | 188 | 109 Ų | 109 | 71% | 0.709 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.3 | -38.2 | 171.1 | -75 | 174.2 | -145.7 | -140.6 | 3.2 | 112.3 | A786 R787 V788 H793 L794 | A786-R790 WeakPolarHBondContact O-CD 3.19Å; A786-R790 WeakPolarHBondContact O-CG 3.49Å; A786-R790 PolarHBondContact O-N 3.39Å; A786-R790 PolarHBondContact O-NE 3.26Å; R787-R790 CarbonylContact O-C 3.49Å; R787-R790 PolarHBondContact O-N 2.93Å; V788-R790 VanDerWaalsContact C-N 3.33Å; V788-R790 PolarHBondContact O-N 2.85Å; R790-H793 PolarHBondContact O-N 3.01Å; R790-L794 WeakPolarHBondContact O-CB 3.5Å; R790-L794 PolarHBondContact O-N 2.96Å |
| 791 | Q | 86.2 | Confident | 84.6 | Confident | 123 Ų | 123 | 107.9 Ų | 107.9 | 58% | 0.575 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.8 | -44.9 | 173.6 | -81.9 | 178.6 | -53.4 | 0 | 0 | 110.8 | R787 V788 L794 L795 | R787-Q791 PolarHBondContact O-N 2.76Å; V788-Q791 CarbonylContact O-C 3.55Å; V788-Q791 PolarHBondContact O-N 2.91Å; V788-Q791 VanDerWaalsContact O-N 3.15Å; Q791-L794 PolarHBondContact O-N 2.64Å; Q791-L795 WeakPolarHBondContact O-CB 3.44Å; Q791-L795 WeakPolarHBondContact O-CG 3.35Å; Q791-L795 PolarHBondContact O-N 3.05Å |
| 792 | Q | 86.5 | Confident | 84.9 | Confident | 112 Ų | 112 | 110 Ų | 110 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.4 | -51.2 | 171.6 | -74.9 | 177.3 | -52.3 | 0 | 0 | 110.9 | V788 L794 L795 E796 | V788-Q792 HydrophobicContact CG1-CG 4.43Å; V788-Q792 WeakPolarHBondContact O-CB 3.05Å; V788-Q792 WeakPolarHBondContact O-CG 3.11Å; V788-Q792 PolarHBondContact O-N 2.75Å; Q792-L794 PolarHBondContact O-N 2.74Å; Q792-L795 PolarHBondContact O-N 3.49Å; Q792-E796 WeakPolarHBondContact O-CB 3.44Å; Q792-E796 PolarHBondContact O-N 2.93Å |
| 793 | H | 84.7 | Confident | 85.3 | Confident | 119 Ų | 119 | 107.8 Ų | 107.8 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.4 | -21.6 | -178.1 | -156.2 | -37.5 | 0 | 0 | 0 | 113.2 | L789 R790 R797 | L789-H793 WeakPolarHBondContact O-CB 3.39Å; L789-H793 PolarHBondContact O-N 2.93Å; R790-H793 PolarHBondContact O-N 3.01Å; H793-R797 VanDerWaalsContact O-CB 3.25Å; H793-R797 WeakPolarHBondContact O-CB 3.49Å; H793-R797 PolarHBondContact O-N 3.46Å |
| 794 | L | 86.3 | Confident | 85.5 | Confident | 109 Ų | 109 | 107.6 Ų | 107.6 | 57% | 0.571 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -80 | -45.9 | 169.5 | -176.6 | 66.2 | 0 | 0 | 0 | 111.4 | R790 Q791 Q792 R797 T798 | R790-L794 WeakPolarHBondContact O-CB 3.5Å; R790-L794 PolarHBondContact O-N 2.96Å; Q791-L794 PolarHBondContact O-N 2.64Å; Q792-L794 PolarHBondContact O-N 2.74Å; L794-R797 CarbonylContact O-C 3.57Å; L794-R797 WeakPolarHBondContact O-CA 3.47Å; L794-R797 WeakPolarHBondContact O-CB 3.48Å; L794-R797 PolarHBondContact O-N 3.2Å; L794-R797 VanDerWaalsContact O-N 3.1Å; L794-T798 PolarHBondContact O-N 3.41Å; L794-T798 PolarHBondContact O-OG1 3.16Å |
| 795 | L | 86.3 | Confident | 85.7 | Confident | 114 Ų | 114 | 108.6 Ų | 108.6 | 60% | 0.597 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.1 | -50.3 | 176.5 | -76 | 167.5 | 0 | 0 | 0 | 110.5 | Q791 Q792 R797 T798 E799 | Q791-L795 WeakPolarHBondContact O-CB 3.44Å; Q791-L795 WeakPolarHBondContact O-CG 3.35Å; Q791-L795 PolarHBondContact O-N 3.05Å; Q792-L795 PolarHBondContact O-N 3.49Å; L795-R797 PolarHBondContact O-N 3.31Å; L795-T798 VanDerWaalsContact CA-OG1 3.32Å; L795-T798 WeakPolarHBondContact CA-OG1 3.19Å; L795-T798 CarbonylContact O-C 3.53Å; L795-T798 PolarHBondContact O-N 3.26Å; L795-T798 VanDerWaalsContact O-N 3.11Å; L795-T798 PolarHBondContact O-OG1 2.83Å; L795-E799 WeakPolarHBondContact O-CB 3.2Å; L795-E799 PolarHBondContact O-N 3.02Å |
| 796 | E | 88.2 | Confident | 86.1 | Confident | 90 Ų | 90 | 109.3 Ų | 109.3 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.7 | -27.1 | 174 | -168.9 | -150 | -107.5 | 0 | 0 | 111.6 | Q792 R800 | Q792-E796 WeakPolarHBondContact O-CB 3.44Å; Q792-E796 PolarHBondContact O-N 2.93Å; E796-R800 VanDerWaalsContact O-CB 3.28Å; E796-R800 WeakPolarHBondContact O-CB 3.22Å; E796-R800 VanDerWaalsContact O-CG 3.26Å; E796-R800 WeakPolarHBondContact O-CG 2.97Å; E796-R800 PolarHBondContact O-N 3.45Å; E796-R800 PolarHBondContact O-NE 3.34Å; E796-R800 IonicContact OE2-CZ 3.74Å; E796-R800 IonicContact OE2-NE 3.86Å; E796-R800 PolarHBondContact OE2-NE 3.34Å; E796-R800 IonicContact OE2-NH2 3.57Å; E796-R800 PolarHBondContact OE2-NH2 2.91Å |
| 797 | R | 84.5 | Confident | 86.7 | Confident | 159 Ų | 159 | 112.7 Ų | 112.7 | 60% | 0.6 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -76.3 | -42.6 | 171 | -178.8 | -179.9 | 175.1 | 94.3 | 3.1 | 111.6 | H793 L794 L795 E799 R800 V801 | H793-R797 VanDerWaalsContact O-CB 3.25Å; H793-R797 WeakPolarHBondContact O-CB 3.49Å; H793-R797 PolarHBondContact O-N 3.46Å; L794-R797 CarbonylContact O-C 3.57Å; L794-R797 WeakPolarHBondContact O-CA 3.47Å; L794-R797 WeakPolarHBondContact O-CB 3.48Å; L794-R797 PolarHBondContact O-N 3.2Å; L794-R797 VanDerWaalsContact O-N 3.1Å; L795-R797 PolarHBondContact O-N 3.31Å; R797-E799 VanDerWaalsContact C-N 3.32Å; R797-R800 PolarHBondContact O-N 3.12Å; R797-V801 WeakPolarHBondContact O-CG2 3.25Å; R797-V801 PolarHBondContact O-N 3.05Å |
| 798 | T | 83 | Confident | 86.9 | Confident | 79 Ų | 79 | 109.2 Ų | 109.2 | 49% | 0.485 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.7 | -34.7 | 174.5 | 45.4 | 0 | 0 | 0 | 0 | 111.7 | L794 L795 V801 H802 | L794-T798 PolarHBondContact O-N 3.41Å; L794-T798 PolarHBondContact O-OG1 3.16Å; L795-T798 VanDerWaalsContact CA-OG1 3.32Å; L795-T798 WeakPolarHBondContact CA-OG1 3.19Å; L795-T798 CarbonylContact O-C 3.53Å; L795-T798 PolarHBondContact O-N 3.26Å; L795-T798 VanDerWaalsContact O-N 3.11Å; L795-T798 PolarHBondContact O-OG1 2.83Å; T798-V801 CarbonylContact O-C 3.52Å; T798-V801 PolarHBondContact O-N 2.95Å; T798-H802 VanDerWaalsContact O-CB 3.28Å; T798-H802 WeakPolarHBondContact O-CB 3.35Å; T798-H802 PolarHBondContact O-N 3.11Å |
| 799 | E | 85.4 | Confident | 87 | Confident | 129 Ų | 129 | 110 Ų | 110 | 60% | 0.603 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.9 | -48.5 | 171.7 | 179.7 | 177.9 | -147.9 | 0 | 0 | 110.2 | L795 R797 V801 H802 E803 | L795-E799 WeakPolarHBondContact O-CB 3.2Å; L795-E799 PolarHBondContact O-N 3.02Å; R797-E799 VanDerWaalsContact C-N 3.32Å; E799-V801 VanDerWaalsContact C-N 3.27Å; E799-V801 PolarHBondContact O-N 2.93Å; E799-H802 CarbonylContact O-C 3.54Å; E799-H802 PolarHBondContact O-N 3.21Å; E799-H802 VanDerWaalsContact O-N 3.13Å; E799-E803 WeakPolarHBondContact O-CB 3.43Å; E799-E803 PolarHBondContact O-N 3.33Å |
| 800 | R | 87.4 | Confident | 87 | Confident | 111 Ų | 111 | 108.9 Ų | 108.9 | 42% | 0.419 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61 | -32.7 | 172.2 | -80 | 176.4 | -73.3 | 137.5 | -3.7 | 113.3 | E796 R797 L804 | E796-R800 VanDerWaalsContact O-CB 3.28Å; E796-R800 WeakPolarHBondContact O-CB 3.22Å; E796-R800 VanDerWaalsContact O-CG 3.26Å; E796-R800 WeakPolarHBondContact O-CG 2.97Å; E796-R800 PolarHBondContact O-N 3.45Å; E796-R800 PolarHBondContact O-NE 3.34Å; E796-R800 IonicContact OE2-CZ 3.74Å; E796-R800 IonicContact OE2-NE 3.86Å; E796-R800 PolarHBondContact OE2-NE 3.34Å; E796-R800 IonicContact OE2-NH2 3.57Å; E796-R800 PolarHBondContact OE2-NH2 2.91Å; R797-R800 PolarHBondContact O-N 3.12Å; R800-L804 VanDerWaalsContact O-CB 3.26Å; R800-L804 WeakPolarHBondContact O-CB 3.33Å; R800-L804 WeakPolarHBondContact O-CD1 3.26Å; R800-L804 WeakPolarHBondContact O-CG 3.47Å; R800-L804 PolarHBondContact O-N 2.92Å |
| 801 | V | 86.7 | Confident | 87.3 | Confident | 87 Ų | 87 | 104 Ų | 104 | 53% | 0.527 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.5 | -39.1 | 172.8 | 168.9 | 0 | 0 | 0 | 0 | 111.6 | R797 T798 E799 L804 S805 | R797-V801 WeakPolarHBondContact O-CG2 3.25Å; R797-V801 PolarHBondContact O-N 3.05Å; T798-V801 CarbonylContact O-C 3.52Å; T798-V801 PolarHBondContact O-N 2.95Å; E799-V801 VanDerWaalsContact C-N 3.27Å; E799-V801 PolarHBondContact O-N 2.93Å; V801-L804 PolarHBondContact O-N 3.49Å; V801-S805 PolarHBondContact O-N 3.02Å |
| 802 | H | 86.9 | Confident | 87.4 | Confident | 139 Ų | 139 | 103.2 Ų | 103.2 | 64% | 0.644 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -70 | -36.4 | 176.8 | -168.5 | -53.1 | 0 | 0 | 0 | 111.7 | T798 E799 S805 K806 | T798-H802 VanDerWaalsContact O-CB 3.28Å; T798-H802 WeakPolarHBondContact O-CB 3.35Å; T798-H802 PolarHBondContact O-N 3.11Å; E799-H802 CarbonylContact O-C 3.54Å; E799-H802 PolarHBondContact O-N 3.21Å; E799-H802 VanDerWaalsContact O-N 3.13Å; H802-S805 PolarHBondContact O-N 2.89Å; H802-K806 WeakPolarHBondContact O-CB 3.49Å; H802-K806 PolarHBondContact O-N 2.55Å |
| 803 | E | 87.3 | Confident | 87.6 | Confident | 71 Ų | 71 | 101.6 Ų | 101.6 | 33% | 0.332 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.1 | -35.4 | 173 | 177.3 | 66.5 | -177.8 | 0 | 0 | 111.1 | E799 K806 K807 | E799-E803 WeakPolarHBondContact O-CB 3.43Å; E799-E803 PolarHBondContact O-N 3.33Å; E803-K806 IonicContact OE2-NZ 2.72Å; E803-K807 HydrophobicContact CG-CD 4.4Å; E803-K807 WeakPolarHBondContact O-CB 3.49Å; E803-K807 WeakPolarHBondContact O-CD 3.45Å; E803-K807 VanDerWaalsContact O-CG 3.24Å; E803-K807 WeakPolarHBondContact O-CG 3.4Å; E803-K807 PolarHBondContact O-N 3.1Å; E803-K807 WeakPolarHBondContact OE1-CE 3.22Å; E803-K807 IonicContact OE1-NZ 3.66Å; E803-K807 PolarHBondContact OE1-NZ 3.26Å |
| 804 | L | 84.2 | Confident | 87.9 | Confident | 109 Ų | 109 | 100.3 Ų | 100.3 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -70.5 | -39.5 | 169.8 | -78.1 | 168.6 | 0 | 0 | 0 | 112.3 | R800 V801 K807 V808 | R800-L804 VanDerWaalsContact O-CB 3.26Å; R800-L804 WeakPolarHBondContact O-CB 3.33Å; R800-L804 WeakPolarHBondContact O-CD1 3.26Å; R800-L804 WeakPolarHBondContact O-CG 3.47Å; R800-L804 PolarHBondContact O-N 2.92Å; V801-L804 PolarHBondContact O-N 3.49Å; L804-K807 PolarHBondContact O-N 3.47Å; L804-V808 WeakPolarHBondContact O-CB 3.11Å; L804-V808 WeakPolarHBondContact O-CG2 3.49Å; L804-V808 PolarHBondContact O-N 3.46Å |
| 805 | S | 86 | Confident | 88.1 | Confident | 57 Ų | 57 | 101.2 Ų | 101.2 | 40% | 0.399 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60 | -54.8 | 171.6 | -166.6 | 0 | 0 | 0 | 0 | 109.4 | V801 H802 K807 V808 D809 | V801-S805 PolarHBondContact O-N 3.02Å; H802-S805 PolarHBondContact O-N 2.89Å; S805-K807 PolarHBondContact O-N 3.15Å; S805-K807 VanDerWaalsContact O-N 3.1Å; S805-V808 CarbonylContact O-C 3.58Å; S805-V808 WeakPolarHBondContact O-CA 3.45Å; S805-V808 WeakPolarHBondContact O-CB 3.48Å; S805-V808 PolarHBondContact O-N 2.87Å; S805-D809 WeakPolarHBondContact O-CB 3.28Å; S805-D809 VanDerWaalsContact O-CG 3.31Å; S805-D809 PolarHBondContact O-N 3.49Å; S805-D809 PolarHBondContact OG-OD2 2.78Å |
| 806 | K | 92 | Very high | 88.1 | Confident | 128 Ų | 128 | 104 Ų | 104 | 56% | 0.557 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -51.5 | -37.1 | 175.4 | -175 | -174.4 | 174.7 | -167.8 | 0 | 112.8 | H802 E803 E810 | H802-K806 WeakPolarHBondContact O-CB 3.49Å; H802-K806 PolarHBondContact O-N 2.55Å; E803-K806 IonicContact OE2-NZ 2.72Å; K806-E810 WeakPolarHBondContact O-CB 3.48Å; K806-E810 PolarHBondContact O-N 3.47Å |
| 807 | K | 93.4 | Very high | 88.4 | Confident | 110 Ų | 110 | 103.3 Ų | 103.3 | 48% | 0.478 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.5 | -35.1 | 173.3 | -77.9 | 165.7 | -177.5 | 158.1 | 0 | 113.7 | E803 L804 S805 V811 | E803-K807 HydrophobicContact CG-CD 4.4Å; E803-K807 WeakPolarHBondContact O-CB 3.49Å; E803-K807 WeakPolarHBondContact O-CD 3.45Å; E803-K807 VanDerWaalsContact O-CG 3.24Å; E803-K807 WeakPolarHBondContact O-CG 3.4Å; E803-K807 PolarHBondContact O-N 3.1Å; E803-K807 WeakPolarHBondContact OE1-CE 3.22Å; E803-K807 IonicContact OE1-NZ 3.66Å; E803-K807 PolarHBondContact OE1-NZ 3.26Å; L804-K807 PolarHBondContact O-N 3.47Å; S805-K807 PolarHBondContact O-N 3.15Å; S805-K807 VanDerWaalsContact O-N 3.1Å; K807-V811 WeakPolarHBondContact O-CB 3.34Å; K807-V811 VanDerWaalsContact O-CG2 3.24Å; K807-V811 WeakPolarHBondContact O-CG2 3.29Å; K807-V811 PolarHBondContact O-N 3.21Å |
| 808 | V | 90.2 | Very high | 88.8 | Confident | 77 Ų | 77 | 100.9 Ų | 100.9 | 47% | 0.467 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.7 | -42 | 172.7 | 165.3 | 0 | 0 | 0 | 0 | 110.8 | L804 S805 V811 H812 | L804-V808 WeakPolarHBondContact O-CB 3.11Å; L804-V808 WeakPolarHBondContact O-CG2 3.49Å; L804-V808 PolarHBondContact O-N 3.46Å; S805-V808 CarbonylContact O-C 3.58Å; S805-V808 WeakPolarHBondContact O-CA 3.45Å; S805-V808 WeakPolarHBondContact O-CB 3.48Å; S805-V808 PolarHBondContact O-N 2.87Å; V808-V811 CarbonylContact O-C 3.58Å; V808-V811 PolarHBondContact O-N 2.71Å; V808-H812 WeakPolarHBondContact O-CB 3.46Å; V808-H812 PolarHBondContact O-CD2 2.94Å; V808-H812 PolarHBondContact O-N 3.25Å |
| 809 | D | 86.6 | Confident | 88.9 | Confident | 90 Ų | 90 | 102.5 Ų | 102.5 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 174.3 | -66.6 | -51.5 | 0 | 0 | 0 | 111 | S805 H812 L813 | S805-D809 WeakPolarHBondContact O-CB 3.28Å; S805-D809 VanDerWaalsContact O-CG 3.31Å; S805-D809 PolarHBondContact O-N 3.49Å; S805-D809 PolarHBondContact OG-OD2 2.78Å; D809-H812 CarbonylContact O-C 3.47Å; D809-H812 PolarHBondContact O-N 2.78Å; D809-L813 VanDerWaalsContact O-CB 3.27Å; D809-L813 WeakPolarHBondContact O-CB 3.37Å; D809-L813 PolarHBondContact O-N 3.4Å |
| 810 | E | 89.8 | Confident | 89.2 | Confident | 85 Ų | 85 | 102 Ų | 102 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 170.4 | 177.1 | 58.4 | -155.2 | 0 | 0 | 111.7 | K806 H812 L813 Q814 | K806-E810 WeakPolarHBondContact O-CB 3.48Å; K806-E810 PolarHBondContact O-N 3.47Å; E810-H812 VanDerWaalsContact C-N 3.34Å; E810-H812 PolarHBondContact O-N 2.97Å; E810-L813 CarbonylContact O-C 3.58Å; E810-L813 WeakPolarHBondContact O-CB 3.45Å; E810-L813 PolarHBondContact O-N 3.17Å; E810-Q814 HydrophobicContact CG-CG 4.49Å; E810-Q814 WeakPolarHBondContact O-CB 3.32Å; E810-Q814 VanDerWaalsContact O-CG 3.26Å; E810-Q814 WeakPolarHBondContact O-CG 3.28Å; E810-Q814 PolarHBondContact O-N 3.45Å; E810-Q814 WeakPolarHBondContact OE1-CG 3.4Å; E810-Q814 PolarHBondContact OE1-NE2 3.16Å |
| 811 | V | 91.1 | Very high | 89.5 | Confident | 86 Ų | 86 | 101.8 Ų | 101.8 | 52% | 0.521 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.2 | -35.5 | 174.5 | 165.5 | 0 | 0 | 0 | 0 | 111.7 | K807 V808 K815 | K807-V811 WeakPolarHBondContact O-CB 3.34Å; K807-V811 VanDerWaalsContact O-CG2 3.24Å; K807-V811 WeakPolarHBondContact O-CG2 3.29Å; K807-V811 PolarHBondContact O-N 3.21Å; V808-V811 CarbonylContact O-C 3.58Å; V808-V811 PolarHBondContact O-N 2.71Å; V811-K815 WeakPolarHBondContact O-CB 3.29Å; V811-K815 PolarHBondContact O-N 2.91Å |
| 812 | H | 88.1 | Confident | 89.8 | Confident | 106 Ų | 106 | 106.2 Ų | 106.2 | 49% | 0.491 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.3 | -37.7 | 172.2 | -85.7 | -70.4 | 0 | 0 | 0 | 111.9 | V808 D809 E810 K815 R816 | V808-H812 WeakPolarHBondContact O-CB 3.46Å; V808-H812 PolarHBondContact O-CD2 2.94Å; V808-H812 PolarHBondContact O-N 3.25Å; D809-H812 CarbonylContact O-C 3.47Å; D809-H812 PolarHBondContact O-N 2.78Å; E810-H812 VanDerWaalsContact C-N 3.34Å; E810-H812 PolarHBondContact O-N 2.97Å; H812-K815 PolarHBondContact O-N 3.31Å; H812-R816 VanDerWaalsContact O-CB 3.23Å; H812-R816 WeakPolarHBondContact O-CB 3.49Å; H812-R816 PolarHBondContact O-N 3.47Å |
| 813 | L | 91.6 | Very high | 89.8 | Confident | 78 Ų | 78 | 106.8 Ų | 106.8 | 41% | 0.408 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -50.3 | 174 | -180 | 59.4 | 0 | 0 | 0 | 110.5 | D809 E810 K815 R816 I817 | D809-L813 VanDerWaalsContact O-CB 3.27Å; D809-L813 WeakPolarHBondContact O-CB 3.37Å; D809-L813 PolarHBondContact O-N 3.4Å; E810-L813 CarbonylContact O-C 3.58Å; E810-L813 WeakPolarHBondContact O-CB 3.45Å; E810-L813 PolarHBondContact O-N 3.17Å; L813-K815 VanDerWaalsContact C-N 3.31Å; L813-K815 PolarHBondContact O-N 3.01Å; L813-R816 CarbonylContact O-C 3.59Å; L813-R816 PolarHBondContact O-N 3.31Å; L813-R816 VanDerWaalsContact O-N 3.12Å; L813-I817 HydrophobicContact CD1-CD1 4.02Å; L813-I817 HydrophobicContact CD1-CG1 4.31Å; L813-I817 HydrophobicContact CG-CD1 3.85Å; L813-I817 WeakPolarHBondContact O-CB 3.39Å; L813-I817 VanDerWaalsContact O-CG1 3.25Å; L813-I817 WeakPolarHBondContact O-CG1 3.43Å; L813-I817 PolarHBondContact O-N 3.05Å |
| 814 | Q | 91.2 | Very high | 90.1 | Very high | 93 Ų | 93 | 104.7 Ų | 104.7 | 44% | 0.435 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.8 | -40.4 | 173.1 | -72.2 | 176.4 | 10.6 | 0 | 0 | 112 | E810 I817 L818 | E810-Q814 HydrophobicContact CG-CG 4.49Å; E810-Q814 WeakPolarHBondContact O-CB 3.32Å; E810-Q814 VanDerWaalsContact O-CG 3.26Å; E810-Q814 WeakPolarHBondContact O-CG 3.28Å; E810-Q814 PolarHBondContact O-N 3.45Å; E810-Q814 WeakPolarHBondContact OE1-CG 3.4Å; E810-Q814 PolarHBondContact OE1-NE2 3.16Å; Q814-I817 PolarHBondContact O-N 3Å; Q814-L818 VanDerWaalsContact O-CB 3.31Å; Q814-L818 WeakPolarHBondContact O-CB 3.49Å; Q814-L818 WeakPolarHBondContact O-CG 3.23Å; Q814-L818 PolarHBondContact O-N 3.11Å |
| 815 | K | 90 | Very high | 90.5 | Very high | 127 Ų | 127 | 102.2 Ų | 102.2 | 55% | 0.552 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.6 | -37.7 | 175.2 | -171 | 173.3 | -176.8 | 177.2 | 0 | 112.1 | V811 H812 L813 L818 L819 | V811-K815 WeakPolarHBondContact O-CB 3.29Å; V811-K815 PolarHBondContact O-N 2.91Å; H812-K815 PolarHBondContact O-N 3.31Å; L813-K815 VanDerWaalsContact C-N 3.31Å; L813-K815 PolarHBondContact O-N 3.01Å; K815-L818 PolarHBondContact O-N 3.05Å; K815-L819 HydrophobicContact CG-CD1 4.49Å; K815-L819 WeakPolarHBondContact O-CB 3.45Å; K815-L819 VanDerWaalsContact O-CG 3.27Å; K815-L819 WeakPolarHBondContact O-CG 3.44Å; K815-L819 PolarHBondContact O-N 3.04Å |
| 816 | R | 87.7 | Confident | 90.5 | Very high | 174 Ų | 174 | 103.9 Ų | 103.9 | 66% | 0.657 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.5 | -39 | 174.2 | -167.2 | -176.6 | -66.7 | 153.6 | -1 | 111 | H812 L813 L819 H820 | H812-R816 VanDerWaalsContact O-CB 3.23Å; H812-R816 WeakPolarHBondContact O-CB 3.49Å; H812-R816 PolarHBondContact O-N 3.47Å; L813-R816 CarbonylContact O-C 3.59Å; L813-R816 PolarHBondContact O-N 3.31Å; L813-R816 VanDerWaalsContact O-N 3.12Å; R816-L819 PolarHBondContact O-N 3.3Å; R816-H820 VanDerWaalsContact O-CB 3.27Å; R816-H820 WeakPolarHBondContact O-CB 3.37Å; R816-H820 PolarHBondContact O-N 3.48Å |
| 817 | I | 93.6 | Very high | 90.5 | Very high | 74 Ų | 74 | 101 Ų | 101 | 38% | 0.379 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.2 | -45.5 | 172 | -70.8 | 167 | 0 | 0 | 0 | 110.5 | L813 Q814 L819 H820 Q821 | L813-I817 HydrophobicContact CD1-CD1 4.02Å; L813-I817 HydrophobicContact CD1-CG1 4.31Å; L813-I817 HydrophobicContact CG-CD1 3.85Å; L813-I817 WeakPolarHBondContact O-CB 3.39Å; L813-I817 VanDerWaalsContact O-CG1 3.25Å; L813-I817 WeakPolarHBondContact O-CG1 3.43Å; L813-I817 PolarHBondContact O-N 3.05Å; Q814-I817 PolarHBondContact O-N 3Å; I817-L819 PolarHBondContact O-N 3.29Å; I817-H820 CarbonylContact O-C 3.59Å; I817-H820 PolarHBondContact O-N 2.84Å; I817-Q821 HydrophobicContact CG2-CG 4.17Å; I817-Q821 VanDerWaalsContact O-CB 3.32Å; I817-Q821 WeakPolarHBondContact O-CB 3.14Å; I817-Q821 VanDerWaalsContact O-CG 3.26Å; I817-Q821 WeakPolarHBondContact O-CG 3.45Å; I817-Q821 PolarHBondContact O-N 3.41Å |
| 818 | L | 91.9 | Very high | 90.4 | Very high | 109 Ų | 109 | 103.1 Ų | 103.1 | 57% | 0.571 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.8 | -40.4 | 175.6 | -85 | 165.3 | 0 | 0 | 0 | 112.1 | Q814 K815 R822 | Q814-L818 VanDerWaalsContact O-CB 3.31Å; Q814-L818 WeakPolarHBondContact O-CB 3.49Å; Q814-L818 WeakPolarHBondContact O-CG 3.23Å; Q814-L818 PolarHBondContact O-N 3.11Å; K815-L818 PolarHBondContact O-N 3.05Å; L818-R822 WeakPolarHBondContact O-CB 3.32Å; L818-R822 PolarHBondContact O-N 3.3Å |
| 819 | L | 86 | Confident | 90.6 | Very high | 112 Ų | 112 | 107.8 Ų | 107.8 | 59% | 0.586 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.3 | -40.1 | 173.1 | -74.5 | 169.7 | 0 | 0 | 0 | 111.6 | K815 R816 I817 R822 R823 | K815-L819 HydrophobicContact CG-CD1 4.49Å; K815-L819 WeakPolarHBondContact O-CB 3.45Å; K815-L819 VanDerWaalsContact O-CG 3.27Å; K815-L819 WeakPolarHBondContact O-CG 3.44Å; K815-L819 PolarHBondContact O-N 3.04Å; R816-L819 PolarHBondContact O-N 3.3Å; I817-L819 PolarHBondContact O-N 3.29Å; L819-R822 PolarHBondContact O-N 2.75Å; L819-R823 WeakPolarHBondContact O-CB 3.36Å; L819-R823 PolarHBondContact O-N 3.09Å |
| 820 | H | 92.1 | Very high | 90.7 | Very high | 118 Ų | 118 | 108.8 Ų | 108.8 | 55% | 0.546 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.5 | -42.6 | 175.7 | -173.1 | 61.6 | 0 | 0 | 0 | 111.8 | R816 I817 R822 R823 S824 | R816-H820 VanDerWaalsContact O-CB 3.27Å; R816-H820 WeakPolarHBondContact O-CB 3.37Å; R816-H820 PolarHBondContact O-N 3.48Å; I817-H820 CarbonylContact O-C 3.59Å; I817-H820 PolarHBondContact O-N 2.84Å; H820-R822 PolarHBondContact O-N 2.69Å; H820-R823 CarbonylContact O-C 3.55Å; H820-R823 PolarHBondContact O-N 3.49Å; H820-S824 WeakPolarHBondContact O-CB 3.3Å; H820-S824 PolarHBondContact O-N 2.72Å; H820-S824 PolarHBondContact O-OG 3.25Å |
| 821 | Q | 92.9 | Very high | 90.7 | Very high | 108 Ų | 108 | 110.4 Ų | 110.4 | 51% | 0.505 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 172.3 | -74.9 | 176 | -2.6 | 0 | 0 | 111.8 | I817 S824 C825 | I817-Q821 HydrophobicContact CG2-CG 4.17Å; I817-Q821 VanDerWaalsContact O-CB 3.32Å; I817-Q821 WeakPolarHBondContact O-CB 3.14Å; I817-Q821 VanDerWaalsContact O-CG 3.26Å; I817-Q821 WeakPolarHBondContact O-CG 3.45Å; I817-Q821 PolarHBondContact O-N 3.41Å; Q821-S824 PolarHBondContact O-N 2.95Å; Q821-C825 WeakPolarHBondContact O-CB 3.39Å; Q821-C825 PolarHBondContact O-N 3.04Å |
| 822 | R | 92.5 | Very high | 90.8 | Very high | 179 Ų | 179 | 107.9 Ų | 107.9 | 68% | 0.675 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.2 | -41.6 | 175.1 | -178.3 | 172.8 | 175.6 | 162.9 | -1.8 | 111.1 | L818 L819 H820 C825 L826 | L818-R822 WeakPolarHBondContact O-CB 3.32Å; L818-R822 PolarHBondContact O-N 3.3Å; L819-R822 PolarHBondContact O-N 2.75Å; H820-R822 PolarHBondContact O-N 2.69Å; R822-C825 PolarHBondContact O-N 2.88Å; R822-L826 HydrophobicContact CG-CD1 4.23Å; R822-L826 WeakPolarHBondContact O-CB 3.22Å; R822-L826 VanDerWaalsContact O-CG 3.31Å; R822-L826 WeakPolarHBondContact O-CG 3.49Å; R822-L826 PolarHBondContact O-N 2.83Å |
| 823 | R | 88.9 | Confident | 90.9 | Very high | 151 Ų | 151 | 105.7 Ų | 105.7 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.4 | -58.9 | 170.3 | -179.9 | -179.6 | 164.3 | 174.3 | -2.4 | 109.7 | L819 H820 C825 L826 E827 | L819-R823 WeakPolarHBondContact O-CB 3.36Å; L819-R823 PolarHBondContact O-N 3.09Å; H820-R823 CarbonylContact O-C 3.55Å; H820-R823 PolarHBondContact O-N 3.49Å; R823-C825 PolarHBondContact O-N 2.87Å; R823-L826 CarbonylContact O-C 3.54Å; R823-L826 WeakPolarHBondContact O-CA 3.36Å; R823-L826 WeakPolarHBondContact O-CB 3.34Å; R823-L826 PolarHBondContact O-N 2.71Å; R823-E827 IonicContact CZ-OE1 3.73Å; R823-E827 VanDerWaalsContact CZ-OE1 3.26Å; R823-E827 IonicContact NE-OE1 2.7Å; R823-E827 PolarHBondContact NE-OE1 3.38Å; R823-E827 IonicContact NE-OE2 3.72Å; R823-E827 PolarHBondContact NE-OE2 3.46Å; R823-E827 IonicContact NH2-OE1 2.65Å; R823-E827 PolarHBondContact NH2-OE1 3.35Å; R823-E827 VanDerWaalsContact O-CB 3.27Å; R823-E827 WeakPolarHBondContact O-CB 3.06Å; R823-E827 PolarHBondContact O-N 3.13Å |
| 824 | S | 92.3 | Very high | 90.8 | Very high | 28 Ų | 28 | 105.4 Ų | 105.4 | 20% | 0.196 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -56.6 | -27.5 | 178.8 | -56 | 0 | 0 | 0 | 0 | 113.5 | H820 Q821 R828 | H820-S824 WeakPolarHBondContact O-CB 3.3Å; H820-S824 PolarHBondContact O-N 2.72Å; H820-S824 PolarHBondContact O-OG 3.25Å; Q821-S824 PolarHBondContact O-N 2.95Å; S824-R828 WeakPolarHBondContact O-CB 3.11Å; S824-R828 VanDerWaalsContact O-CG 3.28Å; S824-R828 WeakPolarHBondContact O-CG 3.07Å; S824-R828 PolarHBondContact O-N 2.91Å; S824-R828 PolarHBondContact O-NE 3.17Å; S824-R828 VanDerWaalsContact O-NE 3.16Å |
| 825 | C | 93 | Very high | 90.8 | Very high | 56 Ų | 56 | 109 Ų | 109 | 38% | 0.378 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -75.3 | -43.2 | 172.4 | -173.3 | 0 | 0 | 0 | 0 | 112 | Q821 R822 R823 R829 | Q821-C825 WeakPolarHBondContact O-CB 3.39Å; Q821-C825 PolarHBondContact O-N 3.04Å; R822-C825 PolarHBondContact O-N 2.88Å; R823-C825 PolarHBondContact O-N 2.87Å; C825-R829 WeakPolarHBondContact O-CB 3.49Å; C825-R829 VanDerWaalsContact O-CG 3.32Å; C825-R829 WeakPolarHBondContact O-CG 3.3Å; C825-R829 PolarHBondContact O-N 3.44Å |
| 826 | L | 86.4 | Confident | 90.9 | Very high | 92 Ų | 92 | 110.8 Ų | 110.8 | 48% | 0.482 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 171.9 | -72.1 | 166.8 | 0 | 0 | 0 | 111.8 | R822 R823 R829 L830 | R822-L826 HydrophobicContact CG-CD1 4.23Å; R822-L826 WeakPolarHBondContact O-CB 3.22Å; R822-L826 VanDerWaalsContact O-CG 3.31Å; R822-L826 WeakPolarHBondContact O-CG 3.49Å; R822-L826 PolarHBondContact O-N 2.83Å; R823-L826 CarbonylContact O-C 3.54Å; R823-L826 WeakPolarHBondContact O-CA 3.36Å; R823-L826 WeakPolarHBondContact O-CB 3.34Å; R823-L826 PolarHBondContact O-N 2.71Å; L826-R829 CarbonylContact O-C 3.59Å; L826-R829 WeakPolarHBondContact O-CB 3.35Å; L826-R829 PolarHBondContact O-N 3.13Å; L826-L830 WeakPolarHBondContact O-CB 3.24Å; L826-L830 PolarHBondContact O-N 2.97Å |
| 827 | E | 90.9 | Very high | 91.3 | Very high | 67 Ų | 67 | 109.3 Ų | 109.3 | 31% | 0.313 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.2 | -43.6 | 178.4 | -148.8 | 153.6 | -128 | 0 | 0 | 110 | R823 R829 L830 H831 | R823-E827 IonicContact CZ-OE1 3.73Å; R823-E827 VanDerWaalsContact CZ-OE1 3.26Å; R823-E827 IonicContact NE-OE1 2.7Å; R823-E827 PolarHBondContact NE-OE1 3.38Å; R823-E827 IonicContact NE-OE2 3.72Å; R823-E827 PolarHBondContact NE-OE2 3.46Å; R823-E827 IonicContact NH2-OE1 2.65Å; R823-E827 PolarHBondContact NH2-OE1 3.35Å; R823-E827 VanDerWaalsContact O-CB 3.27Å; R823-E827 WeakPolarHBondContact O-CB 3.06Å; R823-E827 PolarHBondContact O-N 3.13Å; E827-R829 PolarHBondContact O-N 2.71Å; E827-L830 PolarHBondContact O-N 2.93Å; E827-H831 PolarHBondContact O-CD2 3.25Å; E827-H831 PolarHBondContact O-N 2.94Å |
| 828 | R | 92 | Very high | 91.2 | Very high | 156 Ų | 156 | 110.1 Ų | 110.1 | 59% | 0.589 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -36 | 167.3 | -82.7 | -179.4 | -84.7 | 115.8 | -6.2 | 113.1 | S824 A832 | S824-R828 WeakPolarHBondContact O-CB 3.11Å; S824-R828 VanDerWaalsContact O-CG 3.28Å; S824-R828 WeakPolarHBondContact O-CG 3.07Å; S824-R828 PolarHBondContact O-N 2.91Å; S824-R828 PolarHBondContact O-NE 3.17Å; S824-R828 VanDerWaalsContact O-NE 3.16Å; R828-A832 WeakPolarHBondContact O-CB 3.4Å; R828-A832 PolarHBondContact O-N 3.13Å |
| 829 | R | 93.7 | Very high | 91.3 | Very high | 174 Ų | 174 | 107.8 Ų | 107.8 | 66% | 0.657 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.5 | -35.5 | 172.6 | -81.6 | 178.7 | 61.7 | 179.4 | -1.7 | 112 | C825 L826 E827 A832 A833 | C825-R829 WeakPolarHBondContact O-CB 3.49Å; C825-R829 VanDerWaalsContact O-CG 3.32Å; C825-R829 WeakPolarHBondContact O-CG 3.3Å; C825-R829 PolarHBondContact O-N 3.44Å; L826-R829 CarbonylContact O-C 3.59Å; L826-R829 WeakPolarHBondContact O-CB 3.35Å; L826-R829 PolarHBondContact O-N 3.13Å; E827-R829 PolarHBondContact O-N 2.71Å; R829-A832 PolarHBondContact O-N 3.37Å; R829-A833 VanDerWaalsContact O-CB 3.29Å; R829-A833 WeakPolarHBondContact O-CB 3Å; R829-A833 PolarHBondContact O-N 3.18Å |
| 830 | L | 88.2 | Confident | 91.5 | Very high | 111 Ų | 111 | 105.5 Ų | 105.5 | 58% | 0.581 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.8 | -50.9 | 175.7 | -156.9 | 169.8 | 0 | 0 | 0 | 109.2 | L826 E827 A832 A833 E834 | L826-L830 WeakPolarHBondContact O-CB 3.24Å; L826-L830 PolarHBondContact O-N 2.97Å; E827-L830 PolarHBondContact O-N 2.93Å; L830-A832 PolarHBondContact O-N 3.05Å; L830-A833 CarbonylContact O-C 3.58Å; L830-A833 PolarHBondContact O-N 3.35Å; L830-A833 VanDerWaalsContact O-N 3.12Å; L830-E834 WeakPolarHBondContact O-CB 3.17Å; L830-E834 PolarHBondContact O-N 3.26Å |
| 831 | H | 90.4 | Very high | 91.4 | Very high | 119 Ų | 119 | 103.2 Ų | 103.2 | 55% | 0.551 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.4 | -24.2 | 171.6 | -74.2 | -67.4 | 0 | 0 | 0 | 114.1 | E827 R835 | E827-H831 PolarHBondContact O-CD2 3.25Å; E827-H831 PolarHBondContact O-N 2.94Å; H831-R835 VanDerWaalsContact O-CB 3.28Å; H831-R835 WeakPolarHBondContact O-CB 3.46Å; H831-R835 VanDerWaalsContact O-CG 3.23Å; H831-R835 WeakPolarHBondContact O-CG 3.45Å; H831-R835 PolarHBondContact O-N 3.34Å; H831-R835 PolarHBondContact O-NE 3.42Å; H831-R835 VanDerWaalsContact O-NE 3.09Å |
| 832 | A | 93.1 | Very high | 91.3 | Very high | 34 Ų | 34 | 101.4 Ų | 101.4 | 28% | 0.281 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -80.4 | -36.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R828 R829 L830 K836 | R828-A832 WeakPolarHBondContact O-CB 3.4Å; R828-A832 PolarHBondContact O-N 3.13Å; R829-A832 PolarHBondContact O-N 3.37Å; L830-A832 PolarHBondContact O-N 3.05Å; A832-K836 WeakPolarHBondContact O-CB 3.39Å; A832-K836 WeakPolarHBondContact O-CG 3.43Å; A832-K836 PolarHBondContact O-N 3.49Å |
| 833 | A | 90.5 | Very high | 91.4 | Very high | 60 Ų | 60 | 98.7 Ų | 98.7 | 50% | 0.496 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.5 | -39.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | R829 L830 K836 R837 | R829-A833 VanDerWaalsContact O-CB 3.29Å; R829-A833 WeakPolarHBondContact O-CB 3Å; R829-A833 PolarHBondContact O-N 3.18Å; L830-A833 CarbonylContact O-C 3.58Å; L830-A833 PolarHBondContact O-N 3.35Å; L830-A833 VanDerWaalsContact O-N 3.12Å; A833-K836 CarbonylContact O-C 3.5Å; A833-K836 WeakPolarHBondContact O-CB 3.48Å; A833-K836 PolarHBondContact O-N 3.39Å; A833-R837 WeakPolarHBondContact O-CB 3.5Å; A833-R837 PolarHBondContact O-N 2.9Å |
| 834 | E | 88.9 | Confident | 91.5 | Very high | 71 Ų | 71 | 98.8 Ų | 98.8 | 33% | 0.332 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.9 | -41.6 | 176.5 | -167.5 | 52.2 | -124.1 | 0 | 0 | 111.1 | L830 K836 R837 Q838 | L830-E834 WeakPolarHBondContact O-CB 3.17Å; L830-E834 PolarHBondContact O-N 3.26Å; E834-K836 VanDerWaalsContact C-N 3.25Å; E834-K836 PolarHBondContact O-N 3.12Å; E834-R837 PolarHBondContact O-N 3.1Å; E834-R837 WeakPolarHBondContact OE1-CD 3.26Å; E834-R837 IonicContact OE1-CZ 2.65Å; E834-R837 IonicContact OE1-NE 3.27Å; E834-R837 IonicContact OE1-NH1 2.66Å; E834-R837 PolarHBondContact OE1-NH1 2.89Å; E834-Q838 VanDerWaalsContact O-CB 3.26Å; E834-Q838 WeakPolarHBondContact O-CB 3.41Å; E834-Q838 PolarHBondContact O-N 3.3Å |
| 835 | R | 92 | Very high | 91.4 | Very high | 170 Ų | 170 | 101 Ų | 101 | 64% | 0.642 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.4 | -29.4 | 169 | -77 | 179.4 | -60.4 | 128.6 | -1.7 | 113 | H831 A839 | H831-R835 VanDerWaalsContact O-CB 3.28Å; H831-R835 WeakPolarHBondContact O-CB 3.46Å; H831-R835 VanDerWaalsContact O-CG 3.23Å; H831-R835 WeakPolarHBondContact O-CG 3.45Å; H831-R835 PolarHBondContact O-N 3.34Å; H831-R835 PolarHBondContact O-NE 3.42Å; H831-R835 VanDerWaalsContact O-NE 3.09Å; R835-A839 WeakPolarHBondContact O-CB 3.42Å; R835-A839 PolarHBondContact O-N 3.05Å |
| 836 | K | 92.8 | Very high | 91.3 | Very high | 164 Ų | 164 | 103.1 Ų | 103.1 | 71% | 0.713 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -73.6 | -40 | 170.8 | -80.2 | -173.5 | 175.2 | -166.4 | 0 | 112.5 | A832 A833 E834 A839 E840 | A832-K836 WeakPolarHBondContact O-CB 3.39Å; A832-K836 WeakPolarHBondContact O-CG 3.43Å; A832-K836 PolarHBondContact O-N 3.49Å; A833-K836 CarbonylContact O-C 3.5Å; A833-K836 WeakPolarHBondContact O-CB 3.48Å; A833-K836 PolarHBondContact O-N 3.39Å; E834-K836 VanDerWaalsContact C-N 3.25Å; E834-K836 PolarHBondContact O-N 3.12Å; K836-A839 PolarHBondContact O-N 3.12Å; K836-E840 VanDerWaalsContact O-CB 3.25Å; K836-E840 WeakPolarHBondContact O-CB 3.48Å; K836-E840 PolarHBondContact O-N 3.19Å |
| 837 | R | 94.2 | Very high | 91.5 | Very high | 143 Ų | 143 | 103.1 Ų | 103.1 | 54% | 0.54 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 173.2 | 176 | -177.1 | 165.9 | -75.7 | -6.1 | 110 | A833 E834 E840 L841 | A833-R837 WeakPolarHBondContact O-CB 3.5Å; A833-R837 PolarHBondContact O-N 2.9Å; E834-R837 PolarHBondContact O-N 3.1Å; E834-R837 WeakPolarHBondContact OE1-CD 3.26Å; E834-R837 IonicContact OE1-CZ 2.65Å; E834-R837 IonicContact OE1-NE 3.27Å; E834-R837 IonicContact OE1-NH1 2.66Å; E834-R837 PolarHBondContact OE1-NH1 2.89Å; R837-E840 PolarHBondContact O-N 3.14Å; R837-L841 WeakPolarHBondContact O-CB 3.08Å; R837-L841 PolarHBondContact O-N 3.15Å |
| 838 | Q | 92.8 | Very high | 91.4 | Very high | 90 Ų | 90 | 102.2 Ų | 102.2 | 42% | 0.421 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.6 | -38.2 | 177.7 | -165.5 | 63.7 | 21.2 | 0 | 0 | 111.6 | E834 L841 T842 | E834-Q838 VanDerWaalsContact O-CB 3.26Å; E834-Q838 WeakPolarHBondContact O-CB 3.41Å; E834-Q838 PolarHBondContact O-N 3.3Å; Q838-L841 PolarHBondContact O-N 3.3Å; Q838-T842 VanDerWaalsContact O-CB 3.27Å; Q838-T842 WeakPolarHBondContact O-CB 3.25Å; Q838-T842 PolarHBondContact O-N 2.99Å; Q838-T842 PolarHBondContact O-OG1 3.31Å |
| 839 | A | 92.7 | Very high | 91.2 | Very high | 60 Ų | 60 | 99.8 Ų | 99.8 | 50% | 0.496 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.8 | -37.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R835 K836 R843 | R835-A839 WeakPolarHBondContact O-CB 3.42Å; R835-A839 PolarHBondContact O-N 3.05Å; K836-A839 PolarHBondContact O-N 3.12Å; A839-R843 WeakPolarHBondContact O-CB 3.38Å; A839-R843 PolarHBondContact O-N 3.49Å |
| 840 | E | 92.1 | Very high | 90.9 | Very high | 65 Ų | 65 | 95.1 Ų | 95.1 | 30% | 0.304 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.9 | -35.5 | 172.8 | 170.6 | 60.4 | -171.1 | 0 | 0 | 111.8 | K836 R837 R843 R844 | K836-E840 VanDerWaalsContact O-CB 3.25Å; K836-E840 WeakPolarHBondContact O-CB 3.48Å; K836-E840 PolarHBondContact O-N 3.19Å; R837-E840 PolarHBondContact O-N 3.14Å; E840-R843 VanDerWaalsContact CD-NH2 3.27Å; E840-R843 PolarHBondContact O-N 3.05Å; E840-R843 IonicContact OE1-CZ 2.73Å; E840-R843 IonicContact OE1-NH2 3.67Å; E840-R843 PolarHBondContact OE1-NH2 2.91Å; E840-R843 IonicContact OE2-CZ 3.15Å; E840-R843 VanDerWaalsContact OE2-CZ 3.3Å; E840-R843 IonicContact OE2-NE 3.29Å; E840-R843 PolarHBondContact OE2-NE 3.27Å; E840-R843 IonicContact OE2-NH2 2.71Å; E840-R843 PolarHBondContact OE2-NH2 3.46Å; E840-R844 WeakPolarHBondContact O-CB 3.37Å; E840-R844 VanDerWaalsContact O-CG 3.24Å; E840-R844 WeakPolarHBondContact O-CG 3.5Å; E840-R844 PolarHBondContact O-N 3.48Å; E840-R844 IonicContact OE1-CZ 2.89Å; E840-R844 VanDerWaalsContact OE1-CZ 3.24Å; E840-R844 IonicContact OE1-NE 3.17Å; E840-R844 PolarHBondContact OE1-NE 3.27Å; E840-R844 IonicContact OE1-NH2 3.08Å; E840-R844 PolarHBondContact OE1-NH2 3.43Å |
| 841 | L | 89.9 | Confident | 90.8 | Very high | 69 Ų | 69 | 95 Ų | 95 | 36% | 0.361 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.2 | -46.8 | 174.5 | -174.9 | 63.8 | 0 | 0 | 0 | 110.6 | R837 Q838 R843 R844 V845 | R837-L841 WeakPolarHBondContact O-CB 3.08Å; R837-L841 PolarHBondContact O-N 3.15Å; Q838-L841 PolarHBondContact O-N 3.3Å; L841-R843 VanDerWaalsContact C-N 3.34Å; L841-R843 PolarHBondContact O-N 3.01Å; L841-R844 CarbonylContact O-C 3.49Å; L841-R844 WeakPolarHBondContact O-CA 3.46Å; L841-R844 WeakPolarHBondContact O-CB 3.19Å; L841-R844 PolarHBondContact O-N 2.72Å; L841-R844 VanDerWaalsContact O-N 3.11Å; L841-V845 WeakPolarHBondContact O-CG2 3.48Å; L841-V845 PolarHBondContact O-N 2.94Å |
| 842 | T | 90.3 | Very high | 90.6 | Very high | 70 Ų | 70 | 93.7 Ų | 93.7 | 43% | 0.429 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 170.9 | -64 | 0 | 0 | 0 | 0 | 110.5 | Q838 R844 V845 L846 | Q838-T842 VanDerWaalsContact O-CB 3.27Å; Q838-T842 WeakPolarHBondContact O-CB 3.25Å; Q838-T842 PolarHBondContact O-N 2.99Å; Q838-T842 PolarHBondContact O-OG1 3.31Å; T842-R844 VanDerWaalsContact C-N 3.28Å; T842-R844 PolarHBondContact O-N 3.32Å; T842-V845 PolarHBondContact O-N 3.29Å; T842-L846 WeakPolarHBondContact O-CB 3.41Å; T842-L846 PolarHBondContact O-N 2.88Å |
| 843 | R | 95.3 | Very high | 90.3 | Very high | 123 Ų | 123 | 96 Ų | 96 | 46% | 0.464 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.2 | -31.7 | 174.1 | -168.3 | -155.5 | 61.3 | 68.3 | -0.2 | 112.2 | A839 E840 L841 K847 | A839-R843 WeakPolarHBondContact O-CB 3.38Å; A839-R843 PolarHBondContact O-N 3.49Å; E840-R843 VanDerWaalsContact CD-NH2 3.27Å; E840-R843 PolarHBondContact O-N 3.05Å; E840-R843 IonicContact OE1-CZ 2.73Å; E840-R843 IonicContact OE1-NH2 3.67Å; E840-R843 PolarHBondContact OE1-NH2 2.91Å; E840-R843 IonicContact OE2-CZ 3.15Å; E840-R843 VanDerWaalsContact OE2-CZ 3.3Å; E840-R843 IonicContact OE2-NE 3.29Å; E840-R843 PolarHBondContact OE2-NE 3.27Å; E840-R843 IonicContact OE2-NH2 2.71Å; E840-R843 PolarHBondContact OE2-NH2 3.46Å; L841-R843 VanDerWaalsContact C-N 3.34Å; L841-R843 PolarHBondContact O-N 3.01Å; R843-K847 WeakPolarHBondContact O-CB 3.27Å; R843-K847 PolarHBondContact O-N 2.86Å |
| 844 | R | 90.8 | Very high | 90.2 | Very high | 152 Ų | 152 | 98.7 Ų | 98.7 | 57% | 0.574 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -73.5 | -40.3 | 171.8 | -75.2 | 171 | -169 | -141 | -2.6 | 112.5 | E840 L841 T842 A848 | E840-R844 WeakPolarHBondContact O-CB 3.37Å; E840-R844 VanDerWaalsContact O-CG 3.24Å; E840-R844 WeakPolarHBondContact O-CG 3.5Å; E840-R844 PolarHBondContact O-N 3.48Å; E840-R844 IonicContact OE1-CZ 2.89Å; E840-R844 VanDerWaalsContact OE1-CZ 3.24Å; E840-R844 IonicContact OE1-NE 3.17Å; E840-R844 PolarHBondContact OE1-NE 3.27Å; E840-R844 IonicContact OE1-NH2 3.08Å; E840-R844 PolarHBondContact OE1-NH2 3.43Å; L841-R844 CarbonylContact O-C 3.49Å; L841-R844 WeakPolarHBondContact O-CA 3.46Å; L841-R844 WeakPolarHBondContact O-CB 3.19Å; L841-R844 PolarHBondContact O-N 2.72Å; L841-R844 VanDerWaalsContact O-N 3.11Å; T842-R844 VanDerWaalsContact C-N 3.28Å; T842-R844 PolarHBondContact O-N 3.32Å; R844-A848 WeakPolarHBondContact O-CB 3.29Å; R844-A848 PolarHBondContact O-N 3.01Å |
| 845 | V | 90.3 | Very high | 89.9 | Confident | 76 Ų | 76 | 97 Ų | 97 | 46% | 0.461 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.6 | -41.2 | 175.8 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | L841 T842 A848 H849 | L841-V845 WeakPolarHBondContact O-CG2 3.48Å; L841-V845 PolarHBondContact O-N 2.94Å; T842-V845 PolarHBondContact O-N 3.29Å; V845-A848 CarbonylContact O-C 3.56Å; V845-A848 PolarHBondContact O-N 3.26Å; V845-H849 WeakPolarHBondContact O-CB 3.34Å; V845-H849 PolarHBondContact O-N 3.47Å; V845-H849 PolarHBondContact O-ND1 2.86Å |
| 846 | L | 89.9 | Confident | 89.6 | Confident | 99 Ų | 99 | 94.7 Ų | 94.7 | 52% | 0.518 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -71.3 | -42.1 | 177.5 | -153.9 | 156.2 | 0 | 0 | 0 | 110.1 | T842 A848 H849 D850 | T842-L846 WeakPolarHBondContact O-CB 3.41Å; T842-L846 PolarHBondContact O-N 2.88Å; L846-A848 VanDerWaalsContact C-N 3.32Å; L846-A848 PolarHBondContact O-N 2.97Å; L846-H849 CarbonylContact O-C 3.53Å; L846-H849 PolarHBondContact O-N 3.45Å; L846-D850 PolarHBondContact O-N 3.43Å |
| 847 | K | 90.1 | Very high | 89.4 | Confident | 92 Ų | 92 | 91.8 Ų | 91.8 | 40% | 0.4 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.2 | -38.5 | 167.6 | -176.8 | 177.6 | -176.7 | -118.3 | 0 | 112.2 | R843 H849 D850 E851 | R843-K847 WeakPolarHBondContact O-CB 3.27Å; R843-K847 PolarHBondContact O-N 2.86Å; K847-H849 VanDerWaalsContact C-N 3.35Å; K847-D850 CarbonylContact O-C 3.41Å; K847-D850 WeakPolarHBondContact O-CB 3.27Å; K847-D850 PolarHBondContact O-N 3.31Å; K847-E851 WeakPolarHBondContact CE-OE1 3.44Å; K847-E851 VanDerWaalsContact CE-OE2 3.3Å; K847-E851 WeakPolarHBondContact CE-OE2 3.31Å; K847-E851 HydrophobicContact CG-CG 4.28Å; K847-E851 IonicContact NZ-OE1 2.8Å; K847-E851 PolarHBondContact NZ-OE1 2.9Å; K847-E851 IonicContact NZ-OE2 3.19Å; K847-E851 PolarHBondContact NZ-OE2 2.87Å; K847-E851 WeakPolarHBondContact O-CB 3.35Å; K847-E851 WeakPolarHBondContact O-CG 3.33Å; K847-E851 PolarHBondContact O-N 2.79Å |
| 848 | A | 88.9 | Confident | 88.6 | Confident | 48 Ų | 48 | 89.4 Ų | 89.4 | 40% | 0.397 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.6 | -35.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R844 V845 L846 E851 E852 | R844-A848 WeakPolarHBondContact O-CB 3.29Å; R844-A848 PolarHBondContact O-N 3.01Å; V845-A848 CarbonylContact O-C 3.56Å; V845-A848 PolarHBondContact O-N 3.26Å; L846-A848 VanDerWaalsContact C-N 3.32Å; L846-A848 PolarHBondContact O-N 2.97Å; A848-E851 CarbonylContact O-C 3.53Å; A848-E851 PolarHBondContact O-N 3.06Å; A848-E852 WeakPolarHBondContact O-CB 3.34Å; A848-E852 PolarHBondContact O-N 3.28Å |
| 849 | H | 88.1 | Confident | 88.1 | Confident | 106 Ų | 106 | 87.2 Ų | 87.2 | 49% | 0.491 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.3 | -32.6 | 168.8 | -80.5 | 37.3 | 0 | 0 | 0 | 111.9 | V845 L846 K847 T853 | V845-H849 WeakPolarHBondContact O-CB 3.34Å; V845-H849 PolarHBondContact O-N 3.47Å; V845-H849 PolarHBondContact O-ND1 2.86Å; L846-H849 CarbonylContact O-C 3.53Å; L846-H849 PolarHBondContact O-N 3.45Å; K847-H849 VanDerWaalsContact C-N 3.35Å; H849-T853 WeakPolarHBondContact O-CA 3.42Å; H849-T853 WeakPolarHBondContact O-CB 3.36Å; H849-T853 PolarHBondContact O-N 3.2Å; H849-T853 PolarHBondContact O-OG1 3.03Å |
| 850 | D | 87.7 | Confident | 87.8 | Confident | 75 Ų | 75 | 90.3 Ų | 90.3 | 40% | 0.401 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70 | -36.3 | 171.9 | -63.5 | -29.6 | 0 | 0 | 0 | 110.9 | L846 K847 K854 | L846-D850 PolarHBondContact O-N 3.43Å; K847-D850 CarbonylContact O-C 3.41Å; K847-D850 WeakPolarHBondContact O-CB 3.27Å; K847-D850 PolarHBondContact O-N 3.31Å; D850-K854 WeakPolarHBondContact O-CB 3.5Å; D850-K854 WeakPolarHBondContact O-CD 3.47Å; D850-K854 WeakPolarHBondContact O-CG 3.41Å; D850-K854 PolarHBondContact O-N 3.39Å |
| 851 | E | 85.5 | Confident | 87.2 | Confident | 110 Ų | 110 | 91 Ų | 91 | 51% | 0.514 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -78.4 | -28.7 | 176.9 | -74.2 | 179.8 | 139.9 | 0 | 0 | 111.9 | K847 A848 G855 | K847-E851 WeakPolarHBondContact CE-OE1 3.44Å; K847-E851 VanDerWaalsContact CE-OE2 3.3Å; K847-E851 WeakPolarHBondContact CE-OE2 3.31Å; K847-E851 HydrophobicContact CG-CG 4.28Å; K847-E851 IonicContact NZ-OE1 2.8Å; K847-E851 PolarHBondContact NZ-OE1 2.9Å; K847-E851 IonicContact NZ-OE2 3.19Å; K847-E851 PolarHBondContact NZ-OE2 2.87Å; K847-E851 WeakPolarHBondContact O-CB 3.35Å; K847-E851 WeakPolarHBondContact O-CG 3.33Å; K847-E851 PolarHBondContact O-N 2.79Å; A848-E851 CarbonylContact O-C 3.53Å; A848-E851 PolarHBondContact O-N 3.06Å; E851-G855 WeakPolarHBondContact O-CA 3.44Å; E851-G855 PolarHBondContact O-N 2.81Å |
| 852 | E | 86.3 | Confident | 86.6 | Confident | 90 Ų | 90 | 93.4 Ų | 93.4 | 42% | 0.421 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -78.3 | -36.8 | 170 | -173.3 | -166.1 | 154.5 | 0 | 0 | 111.2 | A848 G855 K856 | A848-E852 WeakPolarHBondContact O-CB 3.34Å; A848-E852 PolarHBondContact O-N 3.28Å; E852-G855 CarbonylContact O-C 3.54Å; E852-G855 WeakPolarHBondContact O-CA 3.45Å; E852-G855 PolarHBondContact O-N 3.41Å; E852-K856 HydrophobicContact CG-CD 4.49Å; E852-K856 WeakPolarHBondContact O-CB 3.33Å; E852-K856 VanDerWaalsContact O-CG 3.27Å; E852-K856 WeakPolarHBondContact O-CG 3.5Å; E852-K856 PolarHBondContact O-N 2.84Å; E852-K856 VanDerWaalsContact OE1-CE 3.23Å; E852-K856 WeakPolarHBondContact OE1-CE 3.32Å; E852-K856 IonicContact OE1-NZ 2.77Å; E852-K856 PolarHBondContact OE1-NZ 3.04Å |
| 853 | T | 86.8 | Confident | 86.5 | Confident | 82 Ų | 82 | 93.1 Ų | 93.1 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -73.8 | -38 | 175 | -57.7 | 0 | 0 | 0 | 0 | 110.1 | H849 G855 K856 E857 | H849-T853 WeakPolarHBondContact O-CA 3.42Å; H849-T853 WeakPolarHBondContact O-CB 3.36Å; H849-T853 PolarHBondContact O-N 3.2Å; H849-T853 PolarHBondContact O-OG1 3.03Å; T853-G855 VanDerWaalsContact C-N 3.29Å; T853-K856 CarbonylContact O-C 3.51Å; T853-K856 PolarHBondContact O-N 3.49Å; T853-E857 WeakPolarHBondContact O-CB 3.41Å; T853-E857 PolarHBondContact O-N 3.16Å |
| 854 | K | 88.5 | Confident | 86.1 | Confident | 118 Ų | 118 | 91 Ų | 91 | 51% | 0.513 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.2 | -30.4 | 164.2 | -73.6 | 166.5 | -173.7 | 171.7 | 0 | 111.9 | D850 K856 E857 I858 | D850-K854 WeakPolarHBondContact O-CB 3.5Å; D850-K854 WeakPolarHBondContact O-CD 3.47Å; D850-K854 WeakPolarHBondContact O-CG 3.41Å; D850-K854 PolarHBondContact O-N 3.39Å; K854-K856 VanDerWaalsContact C-N 3.34Å; K854-E857 PolarHBondContact O-N 2.87Å; K854-I858 WeakPolarHBondContact O-CA 3.41Å; K854-I858 WeakPolarHBondContact O-CB 3.31Å; K854-I858 WeakPolarHBondContact O-CD1 3.33Å; K854-I858 WeakPolarHBondContact O-CG1 3.22Å; K854-I858 PolarHBondContact O-N 3.5Å |
| 855 | G | 83.3 | Confident | 85.6 | Confident | 36 Ų | 36 | 88 Ų | 88 | 37% | 0.371 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E851 E852 T853 A859 | E851-G855 WeakPolarHBondContact O-CA 3.44Å; E851-G855 PolarHBondContact O-N 2.81Å; E852-G855 CarbonylContact O-C 3.54Å; E852-G855 WeakPolarHBondContact O-CA 3.45Å; E852-G855 PolarHBondContact O-N 3.41Å; T853-G855 VanDerWaalsContact C-N 3.29Å; G855-A859 WeakPolarHBondContact O-CA 3.49Å; G855-A859 WeakPolarHBondContact O-CB 3.41Å; G855-A859 PolarHBondContact O-N 3.26Å |
| 856 | K | 85.6 | Confident | 85 | Confident | 120 Ų | 120 | 86.2 Ų | 86.2 | 52% | 0.522 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -75.5 | -32.4 | 175.5 | -72.7 | 166 | -176.5 | 170.5 | 0 | 112.9 | E852 T853 K854 A859 F860 | E852-K856 HydrophobicContact CG-CD 4.49Å; E852-K856 WeakPolarHBondContact O-CB 3.33Å; E852-K856 VanDerWaalsContact O-CG 3.27Å; E852-K856 WeakPolarHBondContact O-CG 3.5Å; E852-K856 PolarHBondContact O-N 2.84Å; E852-K856 VanDerWaalsContact OE1-CE 3.23Å; E852-K856 WeakPolarHBondContact OE1-CE 3.32Å; E852-K856 IonicContact OE1-NZ 2.77Å; E852-K856 PolarHBondContact OE1-NZ 3.04Å; T853-K856 CarbonylContact O-C 3.51Å; T853-K856 PolarHBondContact O-N 3.49Å; K854-K856 VanDerWaalsContact C-N 3.34Å; K856-A859 CarbonylContact O-C 3.47Å; K856-F860 WeakPolarHBondContact O-CA 3.45Å; K856-F860 WeakPolarHBondContact O-CB 3.4Å; K856-F860 PolarHBondContact O-N 3Å |
| 857 | E | 88.3 | Confident | 84.7 | Confident | 104 Ų | 104 | 86.1 Ų | 86.1 | 49% | 0.486 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -75.9 | -43.3 | 175.8 | -176.5 | -173.6 | -170.5 | 0 | 0 | 110.1 | T853 K854 A859 F860 I861 | T853-E857 WeakPolarHBondContact O-CB 3.41Å; T853-E857 PolarHBondContact O-N 3.16Å; K854-E857 PolarHBondContact O-N 2.87Å; E857-A859 VanDerWaalsContact C-N 3.34Å; E857-F860 CarbonylContact O-C 3.55Å; E857-F860 PolarHBondContact O-N 2.85Å; E857-I861 HydrophobicContact CG-CD1 3.97Å; E857-I861 VanDerWaalsContact O-CB 3.25Å; E857-I861 WeakPolarHBondContact O-CB 3.37Å; E857-I861 WeakPolarHBondContact O-CG1 3.35Å; E857-I861 PolarHBondContact O-N 2.68Å |
| 858 | I | 76.8 | Confident | 84.1 | Confident | 93 Ų | 93 | 88.7 Ų | 88.7 | 48% | 0.477 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 169.3 | -67.9 | 165.8 | 0 | 0 | 0 | 109.7 | K854 F860 Q862 | K854-I858 WeakPolarHBondContact O-CA 3.41Å; K854-I858 WeakPolarHBondContact O-CB 3.31Å; K854-I858 WeakPolarHBondContact O-CD1 3.33Å; K854-I858 WeakPolarHBondContact O-CG1 3.22Å; K854-I858 PolarHBondContact O-N 3.5Å; I858-F860 VanDerWaalsContact C-N 3.35Å; I858-Q862 HydrophobicContact CG2-CG 4.26Å; I858-Q862 WeakPolarHBondContact O-CA 3.36Å; I858-Q862 WeakPolarHBondContact O-CB 3.1Å; I858-Q862 WeakPolarHBondContact O-CG 3.43Å; I858-Q862 PolarHBondContact O-N 3.47Å |
| 859 | A | 82.7 | Confident | 83.6 | Confident | 44 Ų | 44 | 91.9 Ų | 91.9 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.4 | -29.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G855 K856 E857 Q862 T863 | G855-A859 WeakPolarHBondContact O-CA 3.49Å; G855-A859 WeakPolarHBondContact O-CB 3.41Å; G855-A859 PolarHBondContact O-N 3.26Å; K856-A859 CarbonylContact O-C 3.47Å; E857-A859 VanDerWaalsContact C-N 3.34Å; A859-Q862 CarbonylContact O-C 3.53Å; A859-T863 WeakPolarHBondContact O-CA 3.48Å; A859-T863 WeakPolarHBondContact O-CB 3.45Å; A859-T863 PolarHBondContact O-N 3.36Å; A859-T863 PolarHBondContact O-OG1 2.73Å |
| 860 | F | 87.4 | Confident | 83 | Confident | 124 Ų | 124 | 92.1 Ų | 92.1 | 54% | 0.544 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -82.5 | -34.3 | 177.3 | 179.9 | -109.5 | 0 | 0 | 0 | 112 | K856 E857 I858 T863 L864 | K856-F860 WeakPolarHBondContact O-CA 3.45Å; K856-F860 WeakPolarHBondContact O-CB 3.4Å; K856-F860 PolarHBondContact O-N 3Å; E857-F860 CarbonylContact O-C 3.55Å; E857-F860 PolarHBondContact O-N 2.85Å; I858-F860 VanDerWaalsContact C-N 3.35Å; F860-T863 CarbonylContact O-C 3.5Å; F860-T863 PolarHBondContact O-N 3.3Å; F860-L864 HydrophobicContact CD1-CD1 4.04Å; F860-L864 HydrophobicContact CE1-CD1 3.42Å; F860-L864 VanDerWaalsContact CE1-CD1 3.42Å; F860-L864 HydrophobicContact CE1-CG 4.12Å; F860-L864 HydrophobicContact CE2-CD1 4.27Å; F860-L864 HydrophobicContact CE2-CG 4.12Å; F860-L864 HydrophobicContact CZ-CD1 3.56Å; F860-L864 HydrophobicContact CZ-CD2 4.37Å; F860-L864 HydrophobicContact CZ-CG 3.9Å; F860-L864 VanDerWaalsContact O-CB 3.32Å; F860-L864 WeakPolarHBondContact O-CB 3.26Å; F860-L864 WeakPolarHBondContact O-CG 3.38Å; F860-L864 PolarHBondContact O-N 2.99Å |
| 861 | I | 79.5 | Confident | 82.5 | Confident | 80 Ų | 80 | 95 Ų | 95 | 41% | 0.41 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.9 | -41 | 166.5 | -69.3 | 165.9 | 0 | 0 | 0 | 109 | E857 T863 E865 | E857-I861 HydrophobicContact CG-CD1 3.97Å; E857-I861 VanDerWaalsContact O-CB 3.25Å; E857-I861 WeakPolarHBondContact O-CB 3.37Å; E857-I861 WeakPolarHBondContact O-CG1 3.35Å; E857-I861 PolarHBondContact O-N 2.68Å; I861-T863 VanDerWaalsContact C-N 3.3Å; I861-T863 PolarHBondContact O-N 2.88Å; I861-E865 HydrophobicContact CG2-CG 4.33Å; I861-E865 WeakPolarHBondContact O-CA 3.43Å; I861-E865 WeakPolarHBondContact O-CB 3.42Å; I861-E865 VanDerWaalsContact O-CG 3.3Å; I861-E865 WeakPolarHBondContact O-CG 3.5Å; I861-E865 PolarHBondContact O-N 2.87Å |
| 862 | Q | 76.9 | Confident | 82.3 | Confident | 119 Ų | 119 | 92.4 Ų | 92.4 | 56% | 0.556 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -68.9 | -27.8 | 171.5 | -75.2 | 172.8 | 5 | 0 | 0 | 111.9 | I858 A859 A866 | I858-Q862 HydrophobicContact CG2-CG 4.26Å; I858-Q862 WeakPolarHBondContact O-CA 3.36Å; I858-Q862 WeakPolarHBondContact O-CB 3.1Å; I858-Q862 WeakPolarHBondContact O-CG 3.43Å; I858-Q862 PolarHBondContact O-N 3.47Å; A859-Q862 CarbonylContact O-C 3.53Å; Q862-A866 WeakPolarHBondContact O-CA 3.44Å; Q862-A866 WeakPolarHBondContact O-CB 3.36Å; Q862-A866 PolarHBondContact O-N 2.78Å |
| 863 | T | 87 | Confident | 81.7 | Confident | 64 Ų | 64 | 92.7 Ų | 92.7 | 39% | 0.393 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -78.4 | -40.3 | 174.7 | -62.4 | 0 | 0 | 0 | 0 | 110.5 | A859 F860 I861 A866 E867 | A859-T863 WeakPolarHBondContact O-CA 3.48Å; A859-T863 WeakPolarHBondContact O-CB 3.45Å; A859-T863 PolarHBondContact O-N 3.36Å; A859-T863 PolarHBondContact O-OG1 2.73Å; F860-T863 CarbonylContact O-C 3.5Å; F860-T863 PolarHBondContact O-N 3.3Å; I861-T863 VanDerWaalsContact C-N 3.3Å; I861-T863 PolarHBondContact O-N 2.88Å; T863-A866 CarbonylContact O-C 3.55Å; T863-A866 VanDerWaalsContact O-C 3.26Å; T863-A866 PolarHBondContact O-N 2.66Å; T863-E867 HydrophobicContact CG2-CG 4.24Å; T863-E867 WeakPolarHBondContact O-CA 3.27Å; T863-E867 WeakPolarHBondContact O-CB 3.37Å; T863-E867 VanDerWaalsContact O-CG 3.23Å; T863-E867 WeakPolarHBondContact O-CG 3.32Å; T863-E867 PolarHBondContact O-N 3.31Å |
| 864 | L | 88 | Confident | 81.3 | Confident | 80 Ų | 80 | 91.1 Ų | 91.1 | 42% | 0.419 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70.9 | -39.5 | 172.4 | -78.4 | 179 | 0 | 0 | 0 | 112 | F860 A866 E867 Q868 | F860-L864 HydrophobicContact CD1-CD1 4.04Å; F860-L864 HydrophobicContact CE1-CD1 3.42Å; F860-L864 VanDerWaalsContact CE1-CD1 3.42Å; F860-L864 HydrophobicContact CE1-CG 4.12Å; F860-L864 HydrophobicContact CE2-CD1 4.27Å; F860-L864 HydrophobicContact CE2-CG 4.12Å; F860-L864 HydrophobicContact CZ-CD1 3.56Å; F860-L864 HydrophobicContact CZ-CD2 4.37Å; F860-L864 HydrophobicContact CZ-CG 3.9Å; F860-L864 VanDerWaalsContact O-CB 3.32Å; F860-L864 WeakPolarHBondContact O-CB 3.26Å; F860-L864 WeakPolarHBondContact O-CG 3.38Å; F860-L864 PolarHBondContact O-N 2.99Å; L864-A866 VanDerWaalsContact C-N 3.28Å; L864-E867 PolarHBondContact O-N 2.65Å; L864-Q868 WeakPolarHBondContact O-CA 3.4Å; L864-Q868 WeakPolarHBondContact O-CB 3.33Å; L864-Q868 PolarHBondContact O-N 2.87Å |
| 865 | E | 79.2 | Confident | 80.9 | Confident | 88 Ų | 88 | 88.9 Ų | 88.9 | 41% | 0.411 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.4 | -31.8 | 167.9 | -80.5 | -167.1 | -154.3 | 0 | 0 | 110.9 | I861 K869 | I861-E865 HydrophobicContact CG2-CG 4.33Å; I861-E865 WeakPolarHBondContact O-CA 3.43Å; I861-E865 WeakPolarHBondContact O-CB 3.42Å; I861-E865 VanDerWaalsContact O-CG 3.3Å; I861-E865 WeakPolarHBondContact O-CG 3.5Å; I861-E865 PolarHBondContact O-N 2.87Å; E865-K869 VanDerWaalsContact O-CA 3.32Å; E865-K869 WeakPolarHBondContact O-CA 2.92Å; E865-K869 WeakPolarHBondContact O-CB 3.36Å; E865-K869 VanDerWaalsContact O-CD 3.31Å; E865-K869 WeakPolarHBondContact O-CD 3.45Å; E865-K869 WeakPolarHBondContact O-CG 3.15Å; E865-K869 PolarHBondContact O-N 2.94Å; E865-K869 IonicContact OE2-NZ 2.81Å; E865-K869 PolarHBondContact OE2-NZ 3.3Å |
| 866 | A | 77.4 | Confident | 80.7 | Confident | 39 Ų | 39 | 93.4 Ų | 93.4 | 32% | 0.322 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -84.3 | -12.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q862 T863 L864 Q870 | Q862-A866 WeakPolarHBondContact O-CA 3.44Å; Q862-A866 WeakPolarHBondContact O-CB 3.36Å; Q862-A866 PolarHBondContact O-N 2.78Å; T863-A866 CarbonylContact O-C 3.55Å; T863-A866 VanDerWaalsContact O-C 3.26Å; T863-A866 PolarHBondContact O-N 2.66Å; L864-A866 VanDerWaalsContact C-N 3.28Å; A866-Q870 VanDerWaalsContact O-CA 3.25Å; A866-Q870 WeakPolarHBondContact O-CA 3.08Å; A866-Q870 WeakPolarHBondContact O-CB 3.22Å; A866-Q870 WeakPolarHBondContact O-CG 3.22Å; A866-Q870 PolarHBondContact O-N 2.75Å; A866-Q870 PolarHBondContact O-NE2 2.9Å |
| 867 | E | 83.8 | Confident | 80.1 | Confident | 97 Ų | 97 | 90.9 Ų | 90.9 | 45% | 0.453 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -93.8 | -28.2 | 172.1 | -82.5 | 175.6 | -175.1 | 0 | 0 | 110.1 | T863 L864 Q870 H871 | T863-E867 HydrophobicContact CG2-CG 4.24Å; T863-E867 WeakPolarHBondContact O-CA 3.27Å; T863-E867 WeakPolarHBondContact O-CB 3.37Å; T863-E867 VanDerWaalsContact O-CG 3.23Å; T863-E867 WeakPolarHBondContact O-CG 3.32Å; T863-E867 PolarHBondContact O-N 3.31Å; L864-E867 PolarHBondContact O-N 2.65Å; E867-Q870 CarbonylContact O-C 3.58Å; E867-H871 VanDerWaalsContact O-CB 3.27Å; E867-H871 WeakPolarHBondContact O-CB 3.49Å; E867-H871 PolarHBondContact O-CD2 3.42Å; E867-H871 PolarHBondContact O-N 2.69Å |
| 868 | Q | 78.5 | Confident | 79.7 | Confident | 146 Ų | 146 | 91.2 Ų | 91.2 | 68% | 0.682 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -82.6 | -38.7 | 168.5 | -169.9 | -174.7 | 19.2 | 0 | 0 | 110.8 | L864 S872 | L864-Q868 WeakPolarHBondContact O-CA 3.4Å; L864-Q868 WeakPolarHBondContact O-CB 3.33Å; L864-Q868 PolarHBondContact O-N 2.87Å; Q868-S872 WeakPolarHBondContact O-CB 3.39Å; Q868-S872 PolarHBondContact O-N 2.71Å |
| 869 | K | 77.4 | Confident | 79.6 | Confident | 115 Ų | 115 | 91.2 Ų | 91.2 | 50% | 0.5 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -69.1 | -35.5 | 162.5 | -71.2 | 161.9 | -178.2 | 147.1 | 0 | 109.9 | E865 S872 I873 | E865-K869 VanDerWaalsContact O-CA 3.32Å; E865-K869 WeakPolarHBondContact O-CA 2.92Å; E865-K869 WeakPolarHBondContact O-CB 3.36Å; E865-K869 VanDerWaalsContact O-CD 3.31Å; E865-K869 WeakPolarHBondContact O-CD 3.45Å; E865-K869 WeakPolarHBondContact O-CG 3.15Å; E865-K869 PolarHBondContact O-N 2.94Å; E865-K869 IonicContact OE2-NZ 2.81Å; E865-K869 PolarHBondContact OE2-NZ 3.3Å; K869-S872 PolarHBondContact O-N 3.14Å; K869-I873 HydrophobicContact CB-CD1 4.14Å; K869-I873 VanDerWaalsContact O-CA 3.3Å; K869-I873 WeakPolarHBondContact O-CA 3.09Å; K869-I873 WeakPolarHBondContact O-CB 3.07Å; K869-I873 WeakPolarHBondContact O-CD1 3.29Å; K869-I873 WeakPolarHBondContact O-CG1 3.39Å; K869-I873 PolarHBondContact O-N 3.41Å |
| 870 | Q | 76.7 | Confident | 79.2 | Confident | 111 Ų | 111 | 90.7 Ų | 90.7 | 52% | 0.519 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.1 | -35.4 | 171.4 | -83.5 | 168.7 | 46.5 | 0 | 0 | 111 | A866 E867 L874 | A866-Q870 VanDerWaalsContact O-CA 3.25Å; A866-Q870 WeakPolarHBondContact O-CA 3.08Å; A866-Q870 WeakPolarHBondContact O-CB 3.22Å; A866-Q870 WeakPolarHBondContact O-CG 3.22Å; A866-Q870 PolarHBondContact O-N 2.75Å; A866-Q870 PolarHBondContact O-NE2 2.9Å; E867-Q870 CarbonylContact O-C 3.58Å; Q870-L874 HydrophobicContact CB-CD1 4.22Å; Q870-L874 VanDerWaalsContact O-CA 3.25Å; Q870-L874 WeakPolarHBondContact O-CA 3.04Å; Q870-L874 WeakPolarHBondContact O-CB 3.45Å; Q870-L874 WeakPolarHBondContact O-CD1 3.04Å; Q870-L874 WeakPolarHBondContact O-CG 3.04Å; Q870-L874 PolarHBondContact O-N 3.48Å |
| 871 | H | 76.3 | Confident | 77.9 | Confident | 134 Ų | 134 | 90.5 Ų | 90.5 | 62% | 0.62 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -70.4 | -39.5 | 172.9 | -97.9 | -74.7 | 0 | 0 | 0 | 111.4 | E867 T875 | E867-H871 VanDerWaalsContact O-CB 3.27Å; E867-H871 WeakPolarHBondContact O-CB 3.49Å; E867-H871 PolarHBondContact O-CD2 3.42Å; E867-H871 PolarHBondContact O-N 2.69Å; H871-T875 VanDerWaalsContact O-CB 3.27Å; H871-T875 WeakPolarHBondContact O-CB 3.42Å; H871-T875 PolarHBondContact O-N 2.92Å; H871-T875 PolarHBondContact O-OG1 3.1Å |
| 872 | S | 81.9 | Confident | 77.9 | Confident | 56 Ų | 56 | 89.3 Ų | 89.3 | 39% | 0.392 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -71.6 | -36.4 | 176.4 | -165 | 0 | 0 | 0 | 0 | 112.6 | Q868 K869 K876 | Q868-S872 WeakPolarHBondContact O-CB 3.39Å; Q868-S872 PolarHBondContact O-N 2.71Å; K869-S872 PolarHBondContact O-N 3.14Å; S872-K876 WeakPolarHBondContact O-CB 3.47Å; S872-K876 WeakPolarHBondContact O-CD 3.24Å; S872-K876 WeakPolarHBondContact O-CG 3.37Å; S872-K876 PolarHBondContact O-N 3.32Å |
| 873 | I | 73.5 | Confident | 77.9 | Confident | 97 Ų | 97 | 90.1 Ų | 90.1 | 50% | 0.497 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.9 | -64.9 | 170.9 | -68 | 164.5 | 0 | 0 | 0 | 107.4 | K869 T875 K876 H877 | K869-I873 HydrophobicContact CB-CD1 4.14Å; K869-I873 VanDerWaalsContact O-CA 3.3Å; K869-I873 WeakPolarHBondContact O-CA 3.09Å; K869-I873 WeakPolarHBondContact O-CB 3.07Å; K869-I873 WeakPolarHBondContact O-CD1 3.29Å; K869-I873 WeakPolarHBondContact O-CG1 3.39Å; K869-I873 PolarHBondContact O-N 3.41Å; I873-T875 VanDerWaalsContact C-N 3.29Å; I873-T875 CarbonylContact O-C 3.45Å; I873-T875 PolarHBondContact O-N 2.73Å; I873-T875 VanDerWaalsContact O-N 3.16Å; I873-K876 CarbonylContact O-C 3.43Å; I873-K876 VanDerWaalsContact O-CA 3.28Å; I873-K876 WeakPolarHBondContact O-CA 3.33Å; I873-K876 PolarHBondContact O-N 3.34Å; I873-H877 HydrophobicContact CG2-CB 3.87Å; I873-H877 VanDerWaalsContact O-CA 3.3Å; I873-H877 WeakPolarHBondContact O-CA 3.49Å; I873-H877 WeakPolarHBondContact O-CB 3.48Å; I873-H877 PolarHBondContact O-N 3.47Å |
| 874 | L | 79.8 | Confident | 76.7 | Confident | 49 Ų | 49 | 90.4 Ų | 90.4 | 26% | 0.257 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -42.6 | -48.9 | 174.7 | -71.6 | 165.3 | 0 | 0 | 0 | 111.7 | Q870 H877 E878 | Q870-L874 HydrophobicContact CB-CD1 4.22Å; Q870-L874 VanDerWaalsContact O-CA 3.25Å; Q870-L874 WeakPolarHBondContact O-CA 3.04Å; Q870-L874 WeakPolarHBondContact O-CB 3.45Å; Q870-L874 WeakPolarHBondContact O-CD1 3.04Å; Q870-L874 WeakPolarHBondContact O-CG 3.04Å; Q870-L874 PolarHBondContact O-N 3.48Å; L874-H877 CarbonylContact O-C 3.59Å; L874-H877 WeakPolarHBondContact O-CA 3.13Å; L874-H877 PolarHBondContact O-N 3.06Å; L874-H877 VanDerWaalsContact O-N 3.09Å; L874-E878 WeakPolarHBondContact O-CA 3.42Å; L874-E878 WeakPolarHBondContact O-CB 3.5Å; L874-E878 WeakPolarHBondContact O-CG 3.43Å; L874-E878 PolarHBondContact O-N 3.22Å |
| 875 | T | 78.7 | Confident | 76 | Confident | 71 Ų | 71 | 90.7 Ų | 90.7 | 44% | 0.436 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.4 | -52.1 | 173.6 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | H871 I873 H877 E878 E879 | H871-T875 VanDerWaalsContact O-CB 3.27Å; H871-T875 WeakPolarHBondContact O-CB 3.42Å; H871-T875 PolarHBondContact O-N 2.92Å; H871-T875 PolarHBondContact O-OG1 3.1Å; I873-T875 VanDerWaalsContact C-N 3.29Å; I873-T875 CarbonylContact O-C 3.45Å; I873-T875 PolarHBondContact O-N 2.73Å; I873-T875 VanDerWaalsContact O-N 3.16Å; T875-H877 PolarHBondContact O-N 3.13Å; T875-H877 VanDerWaalsContact O-N 3.1Å; T875-E878 PolarHBondContact O-N 3.4Å; T875-E879 WeakPolarHBondContact O-CB 3.22Å; T875-E879 WeakPolarHBondContact O-CG 3.28Å; T875-E879 PolarHBondContact O-N 3.24Å |
| 876 | K | 80.2 | Confident | 75.8 | Confident | 130 Ų | 130 | 93.5 Ų | 93.5 | 57% | 0.565 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.7 | -9.9 | 174.1 | -69.7 | 171.5 | -179 | 168.6 | 0 | 114.3 | S872 I873 S880 | S872-K876 WeakPolarHBondContact O-CB 3.47Å; S872-K876 WeakPolarHBondContact O-CD 3.24Å; S872-K876 WeakPolarHBondContact O-CG 3.37Å; S872-K876 PolarHBondContact O-N 3.32Å; I873-K876 CarbonylContact O-C 3.43Å; I873-K876 VanDerWaalsContact O-CA 3.28Å; I873-K876 WeakPolarHBondContact O-CA 3.33Å; I873-K876 PolarHBondContact O-N 3.34Å; K876-S880 WeakPolarHBondContact O-CA 3.27Å; K876-S880 WeakPolarHBondContact O-CB 3.29Å; K876-S880 PolarHBondContact O-N 3.33Å; K876-S880 PolarHBondContact O-OG 3.05Å |
| 877 | H | 73.3 | Confident | 75.5 | Confident | 67 Ų | 67 | 95.6 Ų | 95.6 | 31% | 0.31 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | 22.4 | -174.7 | -178.2 | -105.6 | 0 | 0 | 0 | 109 | I873 L874 T875 R881 | I873-H877 HydrophobicContact CG2-CB 3.87Å; I873-H877 VanDerWaalsContact O-CA 3.3Å; I873-H877 WeakPolarHBondContact O-CA 3.49Å; I873-H877 WeakPolarHBondContact O-CB 3.48Å; I873-H877 PolarHBondContact O-N 3.47Å; L874-H877 CarbonylContact O-C 3.59Å; L874-H877 WeakPolarHBondContact O-CA 3.13Å; L874-H877 PolarHBondContact O-N 3.06Å; L874-H877 VanDerWaalsContact O-N 3.09Å; T875-H877 PolarHBondContact O-N 3.13Å; T875-H877 VanDerWaalsContact O-N 3.1Å; H877-R881 PolarHBondContact CE1-NE 3.36Å; H877-R881 VanDerWaalsContact CE1-NE 3.32Å; H877-R881 WeakPolarHBondContact O-CB 3.26Å; H877-R881 WeakPolarHBondContact O-CD 3.08Å; H877-R881 WeakPolarHBondContact O-CG 3.47Å; H877-R881 PolarHBondContact O-N 2.71Å; H877-R881 VanDerWaalsContact O-N 3.09Å |
| 878 | E | 78.4 | Confident | 74.8 | Confident | 111 Ų | 111 | 92.3 Ų | 92.3 | 52% | 0.519 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | -40.8 | 166 | -84.3 | 166.8 | -178.5 | 0 | 0 | 105 | L874 T875 A882 | L874-E878 WeakPolarHBondContact O-CA 3.42Å; L874-E878 WeakPolarHBondContact O-CB 3.5Å; L874-E878 WeakPolarHBondContact O-CG 3.43Å; L874-E878 PolarHBondContact O-N 3.22Å; T875-E878 PolarHBondContact O-N 3.4Å; E878-A882 WeakPolarHBondContact O-CA 3.49Å; E878-A882 WeakPolarHBondContact O-CB 3.39Å; E878-A882 PolarHBondContact O-N 2.7Å |
| 879 | E | 75.5 | Confident | 75 | Confident | 93 Ų | 93 | 90.2 Ų | 90.2 | 44% | 0.435 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -56.9 | -48.7 | 150 | -68 | -175.8 | -149.8 | 0 | 0 | 111.7 | T875 A882 R883 | T875-E879 WeakPolarHBondContact O-CB 3.22Å; T875-E879 WeakPolarHBondContact O-CG 3.28Å; T875-E879 PolarHBondContact O-N 3.24Å; E879-A882 PolarHBondContact O-N 3.14Å; E879-R883 VanDerWaalsContact CB-NH2 3.3Å; E879-R883 WeakPolarHBondContact O-CB 3.27Å; E879-R883 VanDerWaalsContact O-CG 3.32Å; E879-R883 WeakPolarHBondContact O-CG 3.38Å; E879-R883 PolarHBondContact O-N 3.44Å; E879-R883 PolarHBondContact O-NE 3.37Å; E879-R883 IonicContact OE2-CZ 2.69Å; E879-R883 VanDerWaalsContact OE2-CZ 3.3Å; E879-R883 IonicContact OE2-NH1 3.24Å; E879-R883 PolarHBondContact OE2-NH1 3.48Å; E879-R883 IonicContact OE2-NH2 3.8Å; E879-R883 PolarHBondContact OE2-NH2 3.38Å |
| 880 | S | 74.7 | Confident | 75.1 | Confident | 33 Ų | 33 | 87.5 Ų | 87.5 | 23% | 0.231 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -90.8 | -9.4 | 178.3 | -47.2 | 0 | 0 | 0 | 0 | 114.3 | K876 R883 L884 | K876-S880 WeakPolarHBondContact O-CA 3.27Å; K876-S880 WeakPolarHBondContact O-CB 3.29Å; K876-S880 PolarHBondContact O-N 3.33Å; K876-S880 PolarHBondContact O-OG 3.05Å; S880-R883 PolarHBondContact OG-NH2 3.37Å; S880-L884 WeakPolarHBondContact O-CA 3.47Å; S880-L884 WeakPolarHBondContact O-CB 3.38Å; S880-L884 WeakPolarHBondContact O-CD1 3.41Å; S880-L884 WeakPolarHBondContact O-CG 3.34Å; S880-L884 PolarHBondContact O-N 3.01Å |
| 881 | R | 59.7 | Low | 75.1 | Confident | 121 Ų | 121 | 88.4 Ų | 88.4 | 46% | 0.457 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -81.4 | -18.3 | 154.4 | -84.5 | 170.8 | 172.5 | 156.5 | -6.6 | 111.6 | H877 L884 N885 | H877-R881 PolarHBondContact CE1-NE 3.36Å; H877-R881 VanDerWaalsContact CE1-NE 3.32Å; H877-R881 WeakPolarHBondContact O-CB 3.26Å; H877-R881 WeakPolarHBondContact O-CD 3.08Å; H877-R881 WeakPolarHBondContact O-CG 3.47Å; H877-R881 PolarHBondContact O-N 2.71Å; H877-R881 VanDerWaalsContact O-N 3.09Å; R881-L884 CarbonylContact O-C 3.59Å; R881-N885 VanDerWaalsContact O-CA 3.3Å; R881-N885 WeakPolarHBondContact O-CA 3.47Å; R881-N885 WeakPolarHBondContact O-CB 3.45Å; R881-N885 PolarHBondContact O-N 3.43Å; R881-N885 PolarHBondContact O-OD1 2.69Å |
| 882 | A | 78.2 | Confident | 74.9 | Confident | 54 Ų | 54 | 86.9 Ų | 86.9 | 45% | 0.446 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -74.6 | -51.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | E878 E879 L884 N885 E886 | E878-A882 WeakPolarHBondContact O-CA 3.49Å; E878-A882 WeakPolarHBondContact O-CB 3.39Å; E878-A882 PolarHBondContact O-N 2.7Å; E879-A882 PolarHBondContact O-N 3.14Å; A882-L884 VanDerWaalsContact C-N 3.3Å; A882-L884 PolarHBondContact O-N 3.43Å; A882-N885 CarbonylContact O-C 3.58Å; A882-N885 PolarHBondContact O-N 2.93Å; A882-N885 VanDerWaalsContact O-N 3.1Å; A882-E886 WeakPolarHBondContact O-CG 3.48Å; A882-E886 PolarHBondContact O-N 3.47Å |
| 883 | R | 78.7 | Confident | 74.9 | Confident | 136 Ų | 136 | 90 Ų | 90 | 51% | 0.513 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.8 | -32.3 | 174.4 | -64.8 | 177.7 | -67.5 | -113.1 | 4.1 | 112.9 | E879 S880 L887 | E879-R883 VanDerWaalsContact CB-NH2 3.3Å; E879-R883 WeakPolarHBondContact O-CB 3.27Å; E879-R883 VanDerWaalsContact O-CG 3.32Å; E879-R883 WeakPolarHBondContact O-CG 3.38Å; E879-R883 PolarHBondContact O-N 3.44Å; E879-R883 PolarHBondContact O-NE 3.37Å; E879-R883 IonicContact OE2-CZ 2.69Å; E879-R883 VanDerWaalsContact OE2-CZ 3.3Å; E879-R883 IonicContact OE2-NH1 3.24Å; E879-R883 PolarHBondContact OE2-NH1 3.48Å; E879-R883 IonicContact OE2-NH2 3.8Å; E879-R883 PolarHBondContact OE2-NH2 3.38Å; S880-R883 PolarHBondContact OG-NH2 3.37Å; R883-L887 WeakPolarHBondContact O-CB 3.48Å; R883-L887 PolarHBondContact O-N 3.11Å |
| 884 | L | 61 | Low | 75.3 | Confident | 70 Ų | 70 | 92.3 Ų | 92.3 | 37% | 0.366 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -91.3 | -7.5 | 171.2 | -62 | 166 | 0 | 0 | 0 | 114.2 | S880 R881 A882 L887 A888 | S880-L884 WeakPolarHBondContact O-CA 3.47Å; S880-L884 WeakPolarHBondContact O-CB 3.38Å; S880-L884 WeakPolarHBondContact O-CD1 3.41Å; S880-L884 WeakPolarHBondContact O-CG 3.34Å; S880-L884 PolarHBondContact O-N 3.01Å; R881-L884 CarbonylContact O-C 3.59Å; A882-L884 VanDerWaalsContact C-N 3.3Å; A882-L884 PolarHBondContact O-N 3.43Å; L884-L887 HydrophobicContact CD2-CD2 4.39Å; L884-A888 CarbonylContact O-C 3.58Å; L884-A888 WeakPolarHBondContact O-CA 3.33Å; L884-A888 WeakPolarHBondContact O-CB 3.35Å; L884-A888 PolarHBondContact O-N 3.34Å |
| 885 | N | 73 | Confident | 75.2 | Confident | 87 Ų | 87 | 92.9 Ų | 92.9 | 47% | 0.465 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -86.6 | -31.3 | 162.3 | -80.6 | -1 | 0 | 0 | 0 | 109.4 | R881 A882 I889 | R881-N885 VanDerWaalsContact O-CA 3.3Å; R881-N885 WeakPolarHBondContact O-CA 3.47Å; R881-N885 WeakPolarHBondContact O-CB 3.45Å; R881-N885 PolarHBondContact O-N 3.43Å; R881-N885 PolarHBondContact O-OD1 2.69Å; A882-N885 CarbonylContact O-C 3.58Å; A882-N885 PolarHBondContact O-N 2.93Å; A882-N885 VanDerWaalsContact O-N 3.1Å; N885-I889 HydrophobicContact CB-CD1 4.06Å; N885-I889 HydrophobicContact CB-CG1 4.36Å; N885-I889 VanDerWaalsContact O-CA 3.27Å; N885-I889 WeakPolarHBondContact O-CA 3.39Å; N885-I889 WeakPolarHBondContact O-CB 3.5Å; N885-I889 WeakPolarHBondContact O-CD1 3.44Å; N885-I889 WeakPolarHBondContact O-CG1 3.27Å; N885-I889 PolarHBondContact O-N 3.27Å |
| 886 | E | 75.6 | Confident | 75.2 | Confident | 146 Ų | 146 | 94.3 Ų | 94.3 | 68% | 0.682 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -67.6 | -57.2 | 166.7 | -70.8 | -58.4 | 131.3 | 0 | 0 | 109.1 | A882 A888 E890 | A882-E886 WeakPolarHBondContact O-CG 3.48Å; A882-E886 PolarHBondContact O-N 3.47Å; E886-A888 VanDerWaalsContact C-N 3.27Å; E886-A888 PolarHBondContact O-N 2.98Å; E886-E890 VanDerWaalsContact O-CB 3.28Å; E886-E890 WeakPolarHBondContact O-CB 3.49Å; E886-E890 PolarHBondContact O-N 2.8Å |
| 887 | L | 71.3 | Confident | 75.1 | Confident | 83 Ų | 83 | 92.2 Ų | 92.2 | 44% | 0.435 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.6 | -19.7 | -179.1 | -172.5 | 57.4 | 0 | 0 | 0 | 113.4 | R883 L884 R891 | R883-L887 WeakPolarHBondContact O-CB 3.48Å; R883-L887 PolarHBondContact O-N 3.11Å; L884-L887 HydrophobicContact CD2-CD2 4.39Å; L887-R891 VanDerWaalsContact O-CB 3.24Å; L887-R891 WeakPolarHBondContact O-CB 3.45Å; L887-R891 VanDerWaalsContact O-CD 3.25Å; L887-R891 WeakPolarHBondContact O-CD 3.41Å; L887-R891 WeakPolarHBondContact O-CG 3.49Å; L887-R891 PolarHBondContact O-N 3.08Å |
| 888 | A | 69.4 | Low | 75.3 | Confident | 29 Ų | 29 | 94.2 Ų | 94.2 | 24% | 0.24 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -123.5 | 14.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | L884 E886 R891 Q892 | L884-A888 CarbonylContact O-C 3.58Å; L884-A888 WeakPolarHBondContact O-CA 3.33Å; L884-A888 WeakPolarHBondContact O-CB 3.35Å; L884-A888 PolarHBondContact O-N 3.34Å; E886-A888 VanDerWaalsContact C-N 3.27Å; E886-A888 PolarHBondContact O-N 2.98Å; A888-R891 HydrophobicContact CB-CB 3.89Å; A888-Q892 WeakPolarHBondContact O-CA 3.17Å; A888-Q892 WeakPolarHBondContact O-CB 3.44Å; A888-Q892 PolarHBondContact O-N 3.22Å |
| 889 | I | 82.2 | Confident | 75.3 | Confident | 101 Ų | 101 | 93.7 Ų | 93.7 | 52% | 0.518 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -84.6 | -33 | 139.3 | -64.4 | 163 | 0 | 0 | 0 | 107.6 | N885 R893 | N885-I889 HydrophobicContact CB-CD1 4.06Å; N885-I889 HydrophobicContact CB-CG1 4.36Å; N885-I889 VanDerWaalsContact O-CA 3.27Å; N885-I889 WeakPolarHBondContact O-CA 3.39Å; N885-I889 WeakPolarHBondContact O-CB 3.5Å; N885-I889 WeakPolarHBondContact O-CD1 3.44Å; N885-I889 WeakPolarHBondContact O-CG1 3.27Å; N885-I889 PolarHBondContact O-N 3.27Å; I889-R893 WeakPolarHBondContact O-CA 3.43Å; I889-R893 WeakPolarHBondContact O-CB 3.12Å; I889-R893 PolarHBondContact O-N 3.04Å |
| 890 | E | 79.6 | Confident | 75.4 | Confident | 59 Ų | 59 | 93.4 Ų | 93.4 | 28% | 0.276 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -72.3 | -39.6 | 168.7 | 178.2 | 58.8 | -176.9 | 0 | 0 | 111.8 | E886 R893 R894 | E886-E890 VanDerWaalsContact O-CB 3.28Å; E886-E890 WeakPolarHBondContact O-CB 3.49Å; E886-E890 PolarHBondContact O-N 2.8Å; E890-R893 VanDerWaalsContact CD-NH2 3.27Å; E890-R893 IonicContact OE1-NH2 2.64Å; E890-R893 PolarHBondContact OE1-NH2 3.31Å; E890-R893 IonicContact OE2-CZ 2.87Å; E890-R893 IonicContact OE2-NE 2.65Å; E890-R893 PolarHBondContact OE2-NE 3.11Å; E890-R893 IonicContact OE2-NH2 3.9Å; E890-R893 PolarHBondContact OE2-NH2 3.36Å; E890-R894 VanDerWaalsContact O-CB 3.24Å; E890-R894 WeakPolarHBondContact O-CB 3.48Å; E890-R894 WeakPolarHBondContact O-CG 3.22Å; E890-R894 PolarHBondContact O-N 3.04Å; E890-R894 IonicContact OE1-CZ 2.9Å; E890-R894 IonicContact OE1-NE 2.75Å; E890-R894 PolarHBondContact OE1-NE 3.09Å; E890-R894 IonicContact OE1-NH2 2.72Å; E890-R894 PolarHBondContact OE1-NH2 3.37Å |
| 891 | R | 77.1 | Confident | 75.4 | Confident | 130 Ų | 130 | 97.4 Ų | 97.4 | 49% | 0.491 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.3 | -45.1 | 165.6 | -68.4 | 156.9 | -178.5 | 177.9 | 1.3 | 111.4 | L887 A888 R893 R894 T895 | L887-R891 VanDerWaalsContact O-CB 3.24Å; L887-R891 WeakPolarHBondContact O-CB 3.45Å; L887-R891 VanDerWaalsContact O-CD 3.25Å; L887-R891 WeakPolarHBondContact O-CD 3.41Å; L887-R891 WeakPolarHBondContact O-CG 3.49Å; L887-R891 PolarHBondContact O-N 3.08Å; A888-R891 HydrophobicContact CB-CB 3.89Å; R891-R893 PolarHBondContact O-N 3.39Å; R891-R894 CarbonylContact O-C 3.56Å; R891-R894 VanDerWaalsContact O-C 3.32Å; R891-R894 WeakPolarHBondContact O-CA 3.45Å; R891-R894 PolarHBondContact O-N 2.69Å; R891-R894 VanDerWaalsContact O-N 3.09Å; R891-T895 WeakPolarHBondContact O-CA 3.14Å; R891-T895 WeakPolarHBondContact O-CB 3.44Å; R891-T895 WeakPolarHBondContact O-CG2 3.48Å; R891-T895 PolarHBondContact O-N 3.29Å; R891-T895 PolarHBondContact O-OG1 3.48Å |
| 892 | Q | 72.1 | Confident | 76.2 | Confident | 102 Ų | 102 | 95.1 Ų | 95.1 | 48% | 0.477 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 178.3 | 179.6 | 168 | -19.5 | 0 | 0 | 111 | A888 R894 T895 E896 | A888-Q892 WeakPolarHBondContact O-CA 3.17Å; A888-Q892 WeakPolarHBondContact O-CB 3.44Å; A888-Q892 PolarHBondContact O-N 3.22Å; Q892-R894 PolarHBondContact O-N 3.36Å; Q892-T895 WeakPolarHBondContact CA-OG1 3.26Å; Q892-T895 CarbonylContact O-C 3.57Å; Q892-T895 VanDerWaalsContact O-C 3.29Å; Q892-T895 WeakPolarHBondContact O-CA 3.24Å; Q892-T895 PolarHBondContact O-N 2.99Å; Q892-E896 VanDerWaalsContact CG-CD 3.41Å; Q892-E896 HydrophobicContact CG-CG 3.76Å; Q892-E896 VanDerWaalsContact CG-OE1 3.32Å; Q892-E896 WeakPolarHBondContact CG-OE1 3.33Å; Q892-E896 PolarHBondContact NE2-OE1 3.28Å; Q892-E896 WeakPolarHBondContact O-CA 3.46Å; Q892-E896 WeakPolarHBondContact O-CB 3.31Å; Q892-E896 VanDerWaalsContact O-CG 3.28Å; Q892-E896 WeakPolarHBondContact O-CG 3.26Å; Q892-E896 PolarHBondContact O-N 3.07Å |
| 893 | R | 81.6 | Confident | 76.2 | Confident | 122 Ų | 122 | 97 Ų | 97 | 46% | 0.46 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -56.2 | -46.5 | 169.2 | -169.8 | -172.1 | 72.6 | 76.9 | 0.7 | 111.4 | I889 E890 R891 T895 E897 | I889-R893 WeakPolarHBondContact O-CA 3.43Å; I889-R893 WeakPolarHBondContact O-CB 3.12Å; I889-R893 PolarHBondContact O-N 3.04Å; E890-R893 VanDerWaalsContact CD-NH2 3.27Å; E890-R893 IonicContact OE1-NH2 2.64Å; E890-R893 PolarHBondContact OE1-NH2 3.31Å; E890-R893 IonicContact OE2-CZ 2.87Å; E890-R893 IonicContact OE2-NE 2.65Å; E890-R893 PolarHBondContact OE2-NE 3.11Å; E890-R893 IonicContact OE2-NH2 3.9Å; E890-R893 PolarHBondContact OE2-NH2 3.36Å; R891-R893 PolarHBondContact O-N 3.39Å; R893-T895 VanDerWaalsContact C-N 3.29Å; R893-T895 PolarHBondContact O-N 3.1Å; R893-E897 WeakPolarHBondContact O-CB 3.46Å; R893-E897 PolarHBondContact O-N 2.97Å |
| 894 | R | 81.4 | Confident | 76.4 | Confident | 144 Ų | 144 | 92.1 Ų | 92.1 | 54% | 0.543 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.6 | -20.8 | 173.7 | -74.4 | 180 | -163.9 | -162.5 | 7.8 | 114.3 | E890 R891 Q892 K898 | E890-R894 VanDerWaalsContact O-CB 3.24Å; E890-R894 WeakPolarHBondContact O-CB 3.48Å; E890-R894 WeakPolarHBondContact O-CG 3.22Å; E890-R894 PolarHBondContact O-N 3.04Å; E890-R894 IonicContact OE1-CZ 2.9Å; E890-R894 IonicContact OE1-NE 2.75Å; E890-R894 PolarHBondContact OE1-NE 3.09Å; E890-R894 IonicContact OE1-NH2 2.72Å; E890-R894 PolarHBondContact OE1-NH2 3.37Å; R891-R894 CarbonylContact O-C 3.56Å; R891-R894 VanDerWaalsContact O-C 3.32Å; R891-R894 WeakPolarHBondContact O-CA 3.45Å; R891-R894 PolarHBondContact O-N 2.69Å; R891-R894 VanDerWaalsContact O-N 3.09Å; Q892-R894 PolarHBondContact O-N 3.36Å; R894-K898 WeakPolarHBondContact O-CA 2.97Å; R894-K898 WeakPolarHBondContact O-CB 3.34Å; R894-K898 PolarHBondContact O-N 2.86Å |
| 895 | T | 76.6 | Confident | 77.5 | Confident | 62 Ų | 62 | 90.1 Ų | 90.1 | 38% | 0.38 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -107.3 | -5.3 | -178.8 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | R891 Q892 R893 L899 | R891-T895 WeakPolarHBondContact O-CA 3.14Å; R891-T895 WeakPolarHBondContact O-CB 3.44Å; R891-T895 WeakPolarHBondContact O-CG2 3.48Å; R891-T895 PolarHBondContact O-N 3.29Å; R891-T895 PolarHBondContact O-OG1 3.48Å; Q892-T895 WeakPolarHBondContact CA-OG1 3.26Å; Q892-T895 CarbonylContact O-C 3.57Å; Q892-T895 VanDerWaalsContact O-C 3.29Å; Q892-T895 WeakPolarHBondContact O-CA 3.24Å; Q892-T895 PolarHBondContact O-N 2.99Å; R893-T895 VanDerWaalsContact C-N 3.29Å; R893-T895 PolarHBondContact O-N 3.1Å; T895-L899 WeakPolarHBondContact O-CA 3.43Å; T895-L899 WeakPolarHBondContact O-CB 3.38Å; T895-L899 VanDerWaalsContact O-CD1 3.3Å; T895-L899 WeakPolarHBondContact O-CD1 3.35Å; T895-L899 WeakPolarHBondContact O-CG 3.06Å; T895-L899 PolarHBondContact O-N 2.81Å |
| 896 | E | 79.4 | Confident | 77.9 | Confident | 100 Ų | 100 | 90.8 Ų | 90.8 | 47% | 0.467 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -92 | -31.2 | 158.8 | -74.5 | 172.2 | 162.5 | 0 | 0 | 107.9 | Q892 C900 | Q892-E896 VanDerWaalsContact CG-CD 3.41Å; Q892-E896 HydrophobicContact CG-CG 3.76Å; Q892-E896 VanDerWaalsContact CG-OE1 3.32Å; Q892-E896 WeakPolarHBondContact CG-OE1 3.33Å; Q892-E896 PolarHBondContact NE2-OE1 3.28Å; Q892-E896 WeakPolarHBondContact O-CA 3.46Å; Q892-E896 WeakPolarHBondContact O-CB 3.31Å; Q892-E896 VanDerWaalsContact O-CG 3.28Å; Q892-E896 WeakPolarHBondContact O-CG 3.26Å; Q892-E896 PolarHBondContact O-N 3.07Å; E896-C900 VanDerWaalsContact O-CA 3.31Å; E896-C900 WeakPolarHBondContact O-CA 3.36Å; E896-C900 WeakPolarHBondContact O-CB 3.43Å; E896-C900 PolarHBondContact O-N 3.29Å |
| 897 | E | 77.5 | Confident | 78.2 | Confident | 87 Ų | 87 | 88.6 Ų | 88.6 | 41% | 0.407 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -73.4 | -35 | 162.2 | -153.8 | -155.1 | 130.6 | 0 | 0 | 110 | R893 R901 | R893-E897 WeakPolarHBondContact O-CB 3.46Å; R893-E897 PolarHBondContact O-N 2.97Å; E897-R901 WeakPolarHBondContact O-CB 3.25Å; E897-R901 WeakPolarHBondContact O-CG 3.42Å; E897-R901 PolarHBondContact O-N 3.14Å; E897-R901 PolarHBondContact O-NE 3.12Å; E897-R901 PolarHBondContact O-NH1 3.41Å; E897-R901 IonicContact OE1-CZ 3.75Å; E897-R901 IonicContact OE1-NE 3.53Å; E897-R901 PolarHBondContact OE1-NE 3.06Å; E897-R901 IonicContact OE1-NH2 2.95Å; E897-R901 PolarHBondContact OE1-NH2 3.16Å; E897-R901 IonicContact OE2-NH2 2.89Å |
| 898 | K | 77.7 | Confident | 78.9 | Confident | 109 Ų | 109 | 91.5 Ų | 91.5 | 47% | 0.474 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -73.1 | -42.3 | 168.9 | -163.2 | -164.6 | 167.3 | -160.1 | 0 | 111.4 | R894 R901 E902 | R894-K898 WeakPolarHBondContact O-CA 2.97Å; R894-K898 WeakPolarHBondContact O-CB 3.34Å; R894-K898 PolarHBondContact O-N 2.86Å; K898-R901 CarbonylContact O-C 3.52Å; K898-R901 PolarHBondContact O-N 2.85Å; K898-E902 WeakPolarHBondContact CE-OE2 3.38Å; K898-E902 IonicContact NZ-OE2 3.94Å; K898-E902 WeakPolarHBondContact O-CA 3.12Å; K898-E902 WeakPolarHBondContact O-CB 3.28Å; K898-E902 PolarHBondContact O-N 3.04Å |
| 899 | L | 78.4 | Confident | 79.5 | Confident | 100 Ų | 100 | 96.2 Ų | 96.2 | 52% | 0.524 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -71.7 | -36.4 | 176.6 | -77.7 | 165.2 | 0 | 0 | 0 | 110.6 | T895 E902 E903 | T895-L899 WeakPolarHBondContact O-CA 3.43Å; T895-L899 WeakPolarHBondContact O-CB 3.38Å; T895-L899 VanDerWaalsContact O-CD1 3.3Å; T895-L899 WeakPolarHBondContact O-CD1 3.35Å; T895-L899 WeakPolarHBondContact O-CG 3.06Å; T895-L899 PolarHBondContact O-N 2.81Å; L899-E902 CarbonylContact O-C 3.57Å; L899-E902 PolarHBondContact O-N 3.19Å; L899-E903 VanDerWaalsContact O-CA 3.25Å; L899-E903 WeakPolarHBondContact O-CA 3.47Å; L899-E903 WeakPolarHBondContact O-CB 3.37Å; L899-E903 PolarHBondContact O-N 2.92Å |
| 900 | C | 77.6 | Confident | 79.5 | Confident | 86 Ų | 86 | 98.1 Ų | 98.1 | 58% | 0.581 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -67 | -38.3 | 168.7 | -173.4 | 0 | 0 | 0 | 0 | 110.7 | E896 A904 | E896-C900 VanDerWaalsContact O-CA 3.31Å; E896-C900 WeakPolarHBondContact O-CA 3.36Å; E896-C900 WeakPolarHBondContact O-CB 3.43Å; E896-C900 PolarHBondContact O-N 3.29Å; C900-A904 WeakPolarHBondContact O-CA 3.41Å; C900-A904 WeakPolarHBondContact O-CB 3.31Å; C900-A904 PolarHBondContact O-N 3.18Å |
| 901 | R | 74.9 | Confident | 80 | Confident | 117 Ų | 117 | 98 Ų | 98 | 44% | 0.442 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.6 | -31.9 | 171.6 | -76.1 | -176 | -97.9 | 95.7 | -10.4 | 113 | E897 K898 A905 R908 | E897-R901 WeakPolarHBondContact O-CB 3.25Å; E897-R901 WeakPolarHBondContact O-CG 3.42Å; E897-R901 PolarHBondContact O-N 3.14Å; E897-R901 PolarHBondContact O-NE 3.12Å; E897-R901 PolarHBondContact O-NH1 3.41Å; E897-R901 IonicContact OE1-CZ 3.75Å; E897-R901 IonicContact OE1-NE 3.53Å; E897-R901 PolarHBondContact OE1-NE 3.06Å; E897-R901 IonicContact OE1-NH2 2.95Å; E897-R901 PolarHBondContact OE1-NH2 3.16Å; E897-R901 IonicContact OE2-NH2 2.89Å; K898-R901 CarbonylContact O-C 3.52Å; K898-R901 PolarHBondContact O-N 2.85Å; R901-A905 WeakPolarHBondContact O-CB 3.45Å; R901-A905 PolarHBondContact O-N 3.37Å; R901-R908 PolarHBondContact O-NH2 3.07Å |
| 902 | E | 77.3 | Confident | 80.2 | Confident | 73 Ų | 73 | 97.5 Ų | 97.5 | 34% | 0.341 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -89.7 | -26.8 | -175.4 | 178.9 | 162 | -173.4 | 0 | 0 | 112.5 | K898 L899 A905 K906 R909 | K898-E902 WeakPolarHBondContact CE-OE2 3.38Å; K898-E902 IonicContact NZ-OE2 3.94Å; K898-E902 WeakPolarHBondContact O-CA 3.12Å; K898-E902 WeakPolarHBondContact O-CB 3.28Å; K898-E902 PolarHBondContact O-N 3.04Å; L899-E902 CarbonylContact O-C 3.57Å; L899-E902 PolarHBondContact O-N 3.19Å; E902-A905 VanDerWaalsContact C-N 3.33Å; E902-A905 CarbonylContact O-C 3.57Å; E902-A905 VanDerWaalsContact O-CA 3.29Å; E902-A905 WeakPolarHBondContact O-CA 3.16Å; E902-A905 WeakPolarHBondContact O-CB 3.45Å; E902-A905 PolarHBondContact O-N 2.93Å; E902-K906 WeakPolarHBondContact O-CA 3.43Å; E902-K906 VanDerWaalsContact O-CB 3.3Å; E902-K906 WeakPolarHBondContact O-CB 3.4Å; E902-K906 PolarHBondContact O-N 3.09Å; E902-R909 PolarHBondContact O-NH2 3.27Å; E902-R909 IonicContact OE1-NH2 3.8Å; E902-R909 PolarHBondContact OE1-NH2 2.97Å |
| 903 | E | 77.2 | Confident | 80.4 | Confident | 95 Ų | 95 | 96.9 Ų | 96.9 | 44% | 0.444 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -89.7 | -37.1 | 172.7 | -176.8 | 157.4 | -130 | 0 | 0 | 110.1 | L899 A905 K906 I907 | L899-E903 VanDerWaalsContact O-CA 3.25Å; L899-E903 WeakPolarHBondContact O-CA 3.47Å; L899-E903 WeakPolarHBondContact O-CB 3.37Å; L899-E903 PolarHBondContact O-N 2.92Å; E903-A905 PolarHBondContact O-N 2.89Å; E903-K906 CarbonylContact O-C 3.44Å; E903-K906 WeakPolarHBondContact O-CA 3.19Å; E903-K906 PolarHBondContact O-N 3.38Å; E903-I907 HydrophobicContact CG-CD1 4.01Å; E903-I907 HydrophobicContact CG-CG1 4.27Å; E903-I907 WeakPolarHBondContact O-CA 3.24Å; E903-I907 WeakPolarHBondContact O-CB 3.44Å; E903-I907 VanDerWaalsContact O-CG1 3.22Å; E903-I907 WeakPolarHBondContact O-CG1 3.1Å; E903-I907 PolarHBondContact O-N 2.93Å |
| 904 | A | 83.5 | Confident | 80.7 | Confident | 32 Ų | 32 | 93.8 Ų | 93.8 | 26% | 0.264 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.4 | -29.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | C900 R908 | C900-A904 WeakPolarHBondContact O-CA 3.41Å; C900-A904 WeakPolarHBondContact O-CB 3.31Å; C900-A904 PolarHBondContact O-N 3.18Å; A904-R908 WeakPolarHBondContact O-CA 3.08Å; A904-R908 WeakPolarHBondContact O-CB 3.1Å; A904-R908 WeakPolarHBondContact O-CG 3.44Å; A904-R908 PolarHBondContact O-N 3.43Å; A904-R908 PolarHBondContact O-NE 2.84Å |
| 905 | A | 84.2 | Confident | 81.1 | Confident | 29 Ų | 29 | 89.1 Ų | 89.1 | 24% | 0.24 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -81.5 | -9.6 | 167 | 0 | 0 | 0 | 0 | 0 | 114.5 | R901 E902 E903 R909 | R901-A905 WeakPolarHBondContact O-CB 3.45Å; R901-A905 PolarHBondContact O-N 3.37Å; E902-A905 VanDerWaalsContact C-N 3.33Å; E902-A905 CarbonylContact O-C 3.57Å; E902-A905 VanDerWaalsContact O-CA 3.29Å; E902-A905 WeakPolarHBondContact O-CA 3.16Å; E902-A905 WeakPolarHBondContact O-CB 3.45Å; E902-A905 PolarHBondContact O-N 2.93Å; E903-A905 PolarHBondContact O-N 2.89Å; A905-R909 WeakPolarHBondContact O-CB 2.86Å; A905-R909 WeakPolarHBondContact O-CG 3.31Å; A905-R909 PolarHBondContact O-N 3.1Å; A905-R909 PolarHBondContact O-NE 2.91Å |
| 906 | K | 81 | Confident | 81.8 | Confident | 100 Ų | 100 | 90.9 Ų | 90.9 | 44% | 0.435 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -97.3 | -32.4 | 178.1 | -163.1 | 177.6 | -179.3 | 179.5 | 0 | 109.5 | E902 E903 R910 | E902-K906 WeakPolarHBondContact O-CA 3.43Å; E902-K906 VanDerWaalsContact O-CB 3.3Å; E902-K906 WeakPolarHBondContact O-CB 3.4Å; E902-K906 PolarHBondContact O-N 3.09Å; E903-K906 CarbonylContact O-C 3.44Å; E903-K906 WeakPolarHBondContact O-CA 3.19Å; E903-K906 PolarHBondContact O-N 3.38Å; K906-R910 WeakPolarHBondContact O-CA 2.92Å; K906-R910 WeakPolarHBondContact O-CB 3.25Å; K906-R910 WeakPolarHBondContact O-CD 3.33Å; K906-R910 WeakPolarHBondContact O-CG 2.96Å; K906-R910 PolarHBondContact O-N 2.96Å |
| 907 | I | 82.5 | Confident | 82.1 | Confident | 101 Ų | 101 | 90.6 Ų | 90.6 | 52% | 0.518 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -71.5 | -45.6 | 162.6 | -63.6 | 165.1 | 0 | 0 | 0 | 108.6 | E903 R910 A911 | E903-I907 HydrophobicContact CG-CD1 4.01Å; E903-I907 HydrophobicContact CG-CG1 4.27Å; E903-I907 WeakPolarHBondContact O-CA 3.24Å; E903-I907 WeakPolarHBondContact O-CB 3.44Å; E903-I907 VanDerWaalsContact O-CG1 3.22Å; E903-I907 WeakPolarHBondContact O-CG1 3.1Å; E903-I907 PolarHBondContact O-N 2.93Å; I907-R910 CarbonylContact O-C 3.57Å; I907-R910 PolarHBondContact O-N 3.23Å; I907-A911 WeakPolarHBondContact O-CA 3.48Å; I907-A911 WeakPolarHBondContact O-CB 3.3Å; I907-A911 PolarHBondContact O-N 3.41Å |
| 908 | R | 86.6 | Confident | 82.6 | Confident | 143 Ų | 143 | 89.4 Ų | 89.4 | 54% | 0.54 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 168.7 | -74.5 | 174.4 | -67.2 | -113.7 | -0.8 | 111.9 | R901 A904 A911 L912 | R901-R908 PolarHBondContact O-NH2 3.07Å; A904-R908 WeakPolarHBondContact O-CA 3.08Å; A904-R908 WeakPolarHBondContact O-CB 3.1Å; A904-R908 WeakPolarHBondContact O-CG 3.44Å; A904-R908 PolarHBondContact O-N 3.43Å; A904-R908 PolarHBondContact O-NE 2.84Å; R908-A911 PolarHBondContact O-N 2.73Å; R908-L912 VanDerWaalsContact O-CB 3.24Å; R908-L912 WeakPolarHBondContact O-CB 3.45Å; R908-L912 PolarHBondContact O-N 2.94Å |
| 909 | R | 80.3 | Confident | 83.1 | Confident | 128 Ų | 128 | 92 Ų | 92 | 48% | 0.483 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.7 | -49.3 | 172.5 | -84.1 | 175 | -72.7 | -178.5 | -2.2 | 111.5 | E902 A905 A911 L912 E913 | E902-R909 PolarHBondContact O-NH2 3.27Å; E902-R909 IonicContact OE1-NH2 3.8Å; E902-R909 PolarHBondContact OE1-NH2 2.97Å; A905-R909 WeakPolarHBondContact O-CB 2.86Å; A905-R909 WeakPolarHBondContact O-CG 3.31Å; A905-R909 PolarHBondContact O-N 3.1Å; A905-R909 PolarHBondContact O-NE 2.91Å; R909-A911 VanDerWaalsContact C-N 3.28Å; R909-A911 PolarHBondContact O-N 2.83Å; R909-L912 CarbonylContact O-C 3.57Å; R909-L912 PolarHBondContact O-N 2.89Å; R909-E913 WeakPolarHBondContact O-CA 3.4Å; R909-E913 WeakPolarHBondContact O-CB 3.47Å; R909-E913 PolarHBondContact O-N 3.06Å |
| 910 | R | 83.9 | Confident | 83.3 | Confident | 142 Ų | 142 | 90.1 Ų | 90.1 | 54% | 0.536 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.8 | -28.9 | 175.4 | -77.8 | 165 | 170.9 | 167.6 | -9 | 112.6 | K906 I907 A914 | K906-R910 WeakPolarHBondContact O-CA 2.92Å; K906-R910 WeakPolarHBondContact O-CB 3.25Å; K906-R910 WeakPolarHBondContact O-CD 3.33Å; K906-R910 WeakPolarHBondContact O-CG 2.96Å; K906-R910 PolarHBondContact O-N 2.96Å; I907-R910 CarbonylContact O-C 3.57Å; I907-R910 PolarHBondContact O-N 3.23Å; R910-A914 WeakPolarHBondContact O-CA 3.39Å; R910-A914 WeakPolarHBondContact O-CB 3.37Å; R910-A914 PolarHBondContact O-N 3.31Å |
| 911 | A | 89.1 | Confident | 83.5 | Confident | 56 Ų | 56 | 90.5 Ų | 90.5 | 46% | 0.463 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -84.7 | -33.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I907 R908 R909 E913 S915 | I907-A911 WeakPolarHBondContact O-CA 3.48Å; I907-A911 WeakPolarHBondContact O-CB 3.3Å; I907-A911 PolarHBondContact O-N 3.41Å; R908-A911 PolarHBondContact O-N 2.73Å; R909-A911 VanDerWaalsContact C-N 3.28Å; R909-A911 PolarHBondContact O-N 2.83Å; A911-E913 VanDerWaalsContact C-N 3.27Å; A911-S915 WeakPolarHBondContact O-CA 3.39Å; A911-S915 WeakPolarHBondContact O-CB 3.37Å; A911-S915 PolarHBondContact O-N 2.93Å |
| 912 | L | 82.4 | Confident | 84.2 | Confident | 120 Ų | 120 | 86.8 Ų | 86.8 | 63% | 0.628 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.4 | -33.4 | 165.1 | -102.8 | 157.8 | 0 | 0 | 0 | 111.3 | R908 R909 S915 R916 | R908-L912 VanDerWaalsContact O-CB 3.24Å; R908-L912 WeakPolarHBondContact O-CB 3.45Å; R908-L912 PolarHBondContact O-N 2.94Å; R909-L912 CarbonylContact O-C 3.57Å; R909-L912 PolarHBondContact O-N 2.89Å; L912-S915 CarbonylContact O-C 3.59Å; L912-R916 WeakPolarHBondContact O-CA 3.34Å; L912-R916 WeakPolarHBondContact O-CB 3.31Å; L912-R916 PolarHBondContact O-N 3.3Å |
| 913 | E | 76.4 | Confident | 84.6 | Confident | 88 Ų | 88 | 86.2 Ų | 86.2 | 41% | 0.411 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -82.1 | -41.3 | 179.7 | -179.6 | 138.4 | -116.8 | 0 | 0 | 111.6 | R909 A911 S915 R916 L917 | R909-E913 WeakPolarHBondContact O-CA 3.4Å; R909-E913 WeakPolarHBondContact O-CB 3.47Å; R909-E913 PolarHBondContact O-N 3.06Å; A911-E913 VanDerWaalsContact C-N 3.27Å; E913-S915 VanDerWaalsContact C-N 3.3Å; E913-S915 PolarHBondContact O-N 3.39Å; E913-R916 CarbonylContact O-C 2.92Å; E913-R916 WeakPolarHBondContact O-CA 3.26Å; E913-R916 WeakPolarHBondContact O-CB 3.37Å; E913-R916 PolarHBondContact O-N 3.44Å; E913-R916 VanDerWaalsContact O-N 3.09Å; E913-R916 IonicContact OE1-CZ 3.72Å; E913-R916 IonicContact OE1-NE 3.16Å; E913-R916 PolarHBondContact OE1-NE 2.97Å; E913-R916 IonicContact OE1-NH2 2.63Å; E913-R916 PolarHBondContact OE1-NH2 2.84Å; E913-L917 HydrophobicContact CG-CD1 4.02Å; E913-L917 HydrophobicContact CG-CG 4.39Å; E913-L917 VanDerWaalsContact O-CB 3.28Å; E913-L917 WeakPolarHBondContact O-CB 3.5Å; E913-L917 WeakPolarHBondContact O-CG 3.47Å; E913-L917 PolarHBondContact O-N 3.48Å |
| 914 | A | 86.3 | Confident | 85 | Confident | 57 Ų | 57 | 86.7 Ų | 86.7 | 47% | 0.471 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.9 | -35.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R910 A918 | R910-A914 WeakPolarHBondContact O-CA 3.39Å; R910-A914 WeakPolarHBondContact O-CB 3.37Å; R910-A914 PolarHBondContact O-N 3.31Å; A914-A918 WeakPolarHBondContact O-CB 3.19Å; A914-A918 PolarHBondContact O-N 2.86Å |
| 915 | S | 90.2 | Very high | 85.3 | Confident | 46 Ų | 46 | 86.8 Ų | 86.8 | 32% | 0.322 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -71.4 | -28.5 | 169.2 | -170 | 0 | 0 | 0 | 0 | 112.1 | A911 L912 E913 R919 | A911-S915 WeakPolarHBondContact O-CA 3.39Å; A911-S915 WeakPolarHBondContact O-CB 3.37Å; A911-S915 PolarHBondContact O-N 2.93Å; L912-S915 CarbonylContact O-C 3.59Å; E913-S915 VanDerWaalsContact C-N 3.3Å; E913-S915 PolarHBondContact O-N 3.39Å; S915-R919 WeakPolarHBondContact O-CB 3.47Å; S915-R919 WeakPolarHBondContact O-CG 3.24Å; S915-R919 PolarHBondContact O-N 3.23Å; S915-R919 PolarHBondContact OG-NE 3.37Å |
| 916 | R | 91.8 | Very high | 85.5 | Confident | 99 Ų | 99 | 93.6 Ų | 93.6 | 37% | 0.374 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -71.3 | -45.3 | 172.6 | -178.3 | -176.6 | 76.1 | 105.1 | -7.3 | 110.3 | L912 E913 R919 L920 | L912-R916 WeakPolarHBondContact O-CA 3.34Å; L912-R916 WeakPolarHBondContact O-CB 3.31Å; L912-R916 PolarHBondContact O-N 3.3Å; E913-R916 CarbonylContact O-C 2.92Å; E913-R916 WeakPolarHBondContact O-CA 3.26Å; E913-R916 WeakPolarHBondContact O-CB 3.37Å; E913-R916 PolarHBondContact O-N 3.44Å; E913-R916 VanDerWaalsContact O-N 3.09Å; E913-R916 IonicContact OE1-CZ 3.72Å; E913-R916 IonicContact OE1-NE 3.16Å; E913-R916 PolarHBondContact OE1-NE 2.97Å; E913-R916 IonicContact OE1-NH2 2.63Å; E913-R916 PolarHBondContact OE1-NH2 2.84Å; R916-R919 CarbonylContact O-C 3.55Å; R916-R919 PolarHBondContact O-N 2.88Å; R916-L920 HydrophobicContact CG-CD1 3.99Å; R916-L920 HydrophobicContact CG-CG 4.44Å; R916-L920 VanDerWaalsContact O-CB 3.25Å; R916-L920 WeakPolarHBondContact O-CB 3.3Å; R916-L920 WeakPolarHBondContact O-CG 3.32Å; R916-L920 PolarHBondContact O-N 2.75Å |
| 917 | L | 85.1 | Confident | 85.4 | Confident | 95 Ų | 95 | 94.4 Ų | 94.4 | 50% | 0.497 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.9 | -45.7 | 177.6 | -70.6 | 167.7 | 0 | 0 | 0 | 110 | E913 R919 L920 D921 | E913-L917 HydrophobicContact CG-CD1 4.02Å; E913-L917 HydrophobicContact CG-CG 4.39Å; E913-L917 VanDerWaalsContact O-CB 3.28Å; E913-L917 WeakPolarHBondContact O-CB 3.5Å; E913-L917 WeakPolarHBondContact O-CG 3.47Å; E913-L917 PolarHBondContact O-N 3.48Å; L917-R919 VanDerWaalsContact C-N 3.32Å; L917-R919 PolarHBondContact O-N 3.38Å; L917-L920 CarbonylContact O-C 3.5Å; L917-L920 PolarHBondContact O-N 2.83Å; L917-L920 VanDerWaalsContact O-N 3.13Å; L917-D921 WeakPolarHBondContact O-CB 3.31Å; L917-D921 PolarHBondContact O-N 3.32Å |
| 918 | A | 88 | Confident | 85.7 | Confident | 61 Ų | 61 | 95.8 Ų | 95.8 | 50% | 0.504 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.9 | -30 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A914 A922 | A914-A918 WeakPolarHBondContact O-CB 3.19Å; A914-A918 PolarHBondContact O-N 2.86Å; A918-A922 WeakPolarHBondContact O-CA 3.41Å; A918-A922 WeakPolarHBondContact O-CB 3.45Å; A918-A922 PolarHBondContact O-N 3.18Å |
| 919 | R | 87.8 | Confident | 85.7 | Confident | 164 Ų | 164 | 92.9 Ų | 92.9 | 62% | 0.619 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -73.3 | -33.6 | 169 | -80.9 | 174.9 | -146.9 | -155.7 | 4.1 | 112.7 | S915 R916 L917 L923 | S915-R919 WeakPolarHBondContact O-CB 3.47Å; S915-R919 WeakPolarHBondContact O-CG 3.24Å; S915-R919 PolarHBondContact O-N 3.23Å; S915-R919 PolarHBondContact OG-NE 3.37Å; R916-R919 CarbonylContact O-C 3.55Å; R916-R919 PolarHBondContact O-N 2.88Å; L917-R919 VanDerWaalsContact C-N 3.32Å; L917-R919 PolarHBondContact O-N 3.38Å; R919-L923 WeakPolarHBondContact O-CB 3.17Å; R919-L923 WeakPolarHBondContact O-CG 3.33Å; R919-L923 PolarHBondContact O-N 2.95Å |
| 920 | L | 83.6 | Confident | 86.1 | Confident | 60 Ų | 60 | 94.4 Ų | 94.4 | 31% | 0.314 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -73.9 | -46.4 | 178.4 | -80.6 | 170.5 | 0 | 0 | 0 | 110 | R916 L917 L923 Q924 | R916-L920 HydrophobicContact CG-CD1 3.99Å; R916-L920 HydrophobicContact CG-CG 4.44Å; R916-L920 VanDerWaalsContact O-CB 3.25Å; R916-L920 WeakPolarHBondContact O-CB 3.3Å; R916-L920 WeakPolarHBondContact O-CG 3.32Å; R916-L920 PolarHBondContact O-N 2.75Å; L917-L920 CarbonylContact O-C 3.5Å; L917-L920 PolarHBondContact O-N 2.83Å; L917-L920 VanDerWaalsContact O-N 3.13Å; L920-L923 CarbonylContact O-C 3.52Å; L920-L923 WeakPolarHBondContact O-CA 3.28Å; L920-L923 WeakPolarHBondContact O-CB 3.48Å; L920-L923 PolarHBondContact O-N 3.38Å; L920-L923 VanDerWaalsContact O-N 3.09Å; L920-Q924 VanDerWaalsContact O-CB 3.27Å; L920-Q924 WeakPolarHBondContact O-CB 3.13Å; L920-Q924 PolarHBondContact O-N 3.4Å |
| 921 | D | 82.3 | Confident | 86.1 | Confident | 94 Ų | 94 | 90.3 Ų | 90.3 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 171.5 | -178.9 | 55.6 | 0 | 0 | 0 | 110.9 | L917 L923 Q924 A925 | L917-D921 WeakPolarHBondContact O-CB 3.31Å; L917-D921 PolarHBondContact O-N 3.32Å; D921-L923 PolarHBondContact O-N 3.09Å; D921-Q924 CarbonylContact O-C 3.51Å; D921-Q924 WeakPolarHBondContact O-CA 3.44Å; D921-Q924 PolarHBondContact O-N 2.83Å; D921-A925 VanDerWaalsContact O-CB 3.25Å; D921-A925 WeakPolarHBondContact O-CB 3.38Å; D921-A925 PolarHBondContact O-N 2.66Å |
| 922 | A | 89.9 | Confident | 86.2 | Confident | 40 Ų | 40 | 93.8 Ų | 93.8 | 33% | 0.331 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.6 | -27.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A918 R926 | A918-A922 WeakPolarHBondContact O-CA 3.41Å; A918-A922 WeakPolarHBondContact O-CB 3.45Å; A918-A922 PolarHBondContact O-N 3.18Å; A922-R926 WeakPolarHBondContact O-CB 3.45Å; A922-R926 WeakPolarHBondContact O-CD 3.35Å; A922-R926 WeakPolarHBondContact O-CG 3.48Å; A922-R926 PolarHBondContact O-N 3.46Å |
| 923 | L | 85 | Confident | 86.6 | Confident | 61 Ų | 61 | 93.8 Ų | 93.8 | 32% | 0.319 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -71.2 | -39.4 | 169.1 | -101.9 | 160.4 | 0 | 0 | 0 | 111.5 | R919 L920 D921 R926 W927 | R919-L923 WeakPolarHBondContact O-CB 3.17Å; R919-L923 WeakPolarHBondContact O-CG 3.33Å; R919-L923 PolarHBondContact O-N 2.95Å; L920-L923 CarbonylContact O-C 3.52Å; L920-L923 WeakPolarHBondContact O-CA 3.28Å; L920-L923 WeakPolarHBondContact O-CB 3.48Å; L920-L923 PolarHBondContact O-N 3.38Å; L920-L923 VanDerWaalsContact O-N 3.09Å; D921-L923 PolarHBondContact O-N 3.09Å; L923-R926 CarbonylContact O-C 3.57Å; L923-R926 PolarHBondContact O-N 2.64Å; L923-W927 WeakPolarHBondContact O-CB 3.45Å; L923-W927 PolarHBondContact O-N 3.34Å |
| 924 | Q | 85.2 | Confident | 86.6 | Confident | 105 Ų | 105 | 95.1 Ų | 95.1 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -76 | -37.9 | -176.5 | -156.8 | 166.4 | -9.7 | 0 | 0 | 110.8 | L920 D921 W927 K928 | L920-Q924 VanDerWaalsContact O-CB 3.27Å; L920-Q924 WeakPolarHBondContact O-CB 3.13Å; L920-Q924 PolarHBondContact O-N 3.4Å; D921-Q924 CarbonylContact O-C 3.51Å; D921-Q924 WeakPolarHBondContact O-CA 3.44Å; D921-Q924 PolarHBondContact O-N 2.83Å; Q924-W927 CarbonylContact O-C 3.38Å; Q924-W927 WeakPolarHBondContact O-CB 3.45Å; Q924-W927 PolarHBondContact O-N 3.33Å; Q924-K928 WeakPolarHBondContact O-CB 3.16Å; Q924-K928 VanDerWaalsContact O-CG 3.28Å; Q924-K928 WeakPolarHBondContact O-CG 3.46Å; Q924-K928 PolarHBondContact O-N 3.42Å |
| 925 | A | 89.3 | Confident | 86.5 | Confident | 34 Ų | 34 | 95 Ų | 95 | 28% | 0.281 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.2 | -47.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D921 W927 K928 I929 | D921-A925 VanDerWaalsContact O-CB 3.25Å; D921-A925 WeakPolarHBondContact O-CB 3.38Å; D921-A925 PolarHBondContact O-N 2.66Å; A925-W927 PolarHBondContact O-N 2.99Å; A925-K928 PolarHBondContact O-N 3.11Å; A925-I929 VanDerWaalsContact O-CB 3.3Å; A925-I929 WeakPolarHBondContact O-CB 3.23Å; A925-I929 VanDerWaalsContact O-CG1 3.22Å; A925-I929 WeakPolarHBondContact O-CG1 3.24Å; A925-I929 PolarHBondContact O-N 2.67Å |
| 926 | R | 89.4 | Confident | 86.5 | Confident | 172 Ų | 172 | 96 Ų | 96 | 65% | 0.649 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.4 | -24.7 | 171.2 | -76.8 | 166.6 | -177.7 | -171.1 | -1.1 | 112.9 | A922 L923 R930 | A922-R926 WeakPolarHBondContact O-CB 3.45Å; A922-R926 WeakPolarHBondContact O-CD 3.35Å; A922-R926 WeakPolarHBondContact O-CG 3.48Å; A922-R926 PolarHBondContact O-N 3.46Å; L923-R926 CarbonylContact O-C 3.57Å; L923-R926 PolarHBondContact O-N 2.64Å; R926-R930 WeakPolarHBondContact O-CB 3.44Å; R926-R930 PolarHBondContact O-N 3.43Å |
| 927 | W | 78.5 | Confident | 86.3 | Confident | 117 Ų | 117 | 99.3 Ų | 99.3 | 44% | 0.443 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -82.7 | -38 | 173 | -70.6 | -0.8 | 0 | 0 | 0 | 112.2 | L923 Q924 A925 R930 A931 I1350 | L923-W927 WeakPolarHBondContact O-CB 3.45Å; L923-W927 PolarHBondContact O-N 3.34Å; Q924-W927 CarbonylContact O-C 3.38Å; Q924-W927 WeakPolarHBondContact O-CB 3.45Å; Q924-W927 PolarHBondContact O-N 3.33Å; A925-W927 PolarHBondContact O-N 2.99Å; W927-R930 CarbonylContact O-C 3.43Å; W927-R930 PolarHBondContact O-N 2.77Å; W927-A931 WeakPolarHBondContact O-CA 3.41Å; W927-A931 WeakPolarHBondContact O-CB 3.4Å; W927-A931 PolarHBondContact O-N 3.32Å; W927-I1350 HydrophobicContact CH2-CD1 3.38Å; W927-I1350 HydrophobicContact CZ2-CD1 3.55Å; W927-I1350 HydrophobicContact CZ2-CG1 4.33Å |
| 928 | K | 87.8 | Confident | 86.3 | Confident | 129 Ų | 129 | 97.2 Ų | 97.2 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.4 | -52.1 | 169.7 | -74.9 | 169 | 178.4 | 179.2 | 0 | 109.2 | Q924 A925 R930 A931 Q932 | Q924-K928 WeakPolarHBondContact O-CB 3.16Å; Q924-K928 VanDerWaalsContact O-CG 3.28Å; Q924-K928 WeakPolarHBondContact O-CG 3.46Å; Q924-K928 PolarHBondContact O-N 3.42Å; A925-K928 PolarHBondContact O-N 3.11Å; K928-R930 PolarHBondContact O-N 3.17Å; K928-A931 CarbonylContact O-C 3.48Å; K928-A931 PolarHBondContact O-N 2.72Å; K928-A931 VanDerWaalsContact O-N 3.16Å; K928-Q932 WeakPolarHBondContact O-CB 3.48Å; K928-Q932 VanDerWaalsContact O-CG 3.28Å; K928-Q932 WeakPolarHBondContact O-CG 3.41Å; K928-Q932 PolarHBondContact O-N 2.95Å; K928-Q932 PolarHBondContact O-OE1 3.34Å |
| 929 | I | 88.5 | Confident | 86.2 | Confident | 82 Ų | 82 | 102.4 Ų | 102.4 | 42% | 0.421 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59 | -45.7 | 173.1 | -66.1 | 164.3 | 0 | 0 | 0 | 111 | A925 A931 Q932 Q933 | A925-I929 VanDerWaalsContact O-CB 3.3Å; A925-I929 WeakPolarHBondContact O-CB 3.23Å; A925-I929 VanDerWaalsContact O-CG1 3.22Å; A925-I929 WeakPolarHBondContact O-CG1 3.24Å; A925-I929 PolarHBondContact O-N 2.67Å; I929-A931 VanDerWaalsContact C-N 3.33Å; I929-A931 PolarHBondContact O-N 3Å; I929-Q932 PolarHBondContact O-N 3.38Å; I929-Q933 HydrophobicContact CG2-CG 4.33Å; I929-Q933 VanDerWaalsContact O-CB 3.28Å; I929-Q933 WeakPolarHBondContact O-CB 3.43Å; I929-Q933 WeakPolarHBondContact O-CG 3.1Å; I929-Q933 PolarHBondContact O-N 3.37Å |
| 930 | R | 87.3 | Confident | 86.2 | Confident | 161 Ų | 161 | 100.5 Ų | 100.5 | 61% | 0.608 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.4 | -32.3 | 177 | -176.9 | 179.2 | -64.6 | 171.2 | -0.2 | 112.5 | R926 W927 K928 L934 | R926-R930 WeakPolarHBondContact O-CB 3.44Å; R926-R930 PolarHBondContact O-N 3.43Å; W927-R930 CarbonylContact O-C 3.43Å; W927-R930 PolarHBondContact O-N 2.77Å; K928-R930 PolarHBondContact O-N 3.17Å; R930-L934 WeakPolarHBondContact O-CB 3.43Å; R930-L934 PolarHBondContact O-N 3.45Å |
| 931 | A | 84.2 | Confident | 86.3 | Confident | 56 Ų | 56 | 102.4 Ų | 102.4 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73.3 | -40.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | W927 K928 I929 L934 A935 | W927-A931 WeakPolarHBondContact O-CA 3.41Å; W927-A931 WeakPolarHBondContact O-CB 3.4Å; W927-A931 PolarHBondContact O-N 3.32Å; K928-A931 CarbonylContact O-C 3.48Å; K928-A931 PolarHBondContact O-N 2.72Å; K928-A931 VanDerWaalsContact O-N 3.16Å; I929-A931 VanDerWaalsContact C-N 3.33Å; I929-A931 PolarHBondContact O-N 3Å; A931-L934 PolarHBondContact O-N 3.42Å; A931-A935 WeakPolarHBondContact O-CB 3.4Å; A931-A935 PolarHBondContact O-N 2.67Å |
| 932 | Q | 90.5 | Very high | 86 | Confident | 129 Ų | 129 | 100.5 Ų | 100.5 | 60% | 0.603 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.5 | -44.2 | 170 | -72.6 | 164.8 | -30.7 | 0 | 0 | 111.2 | K928 I929 A935 S936 | K928-Q932 WeakPolarHBondContact O-CB 3.48Å; K928-Q932 VanDerWaalsContact O-CG 3.28Å; K928-Q932 WeakPolarHBondContact O-CG 3.41Å; K928-Q932 PolarHBondContact O-N 2.95Å; K928-Q932 PolarHBondContact O-OE1 3.34Å; I929-Q932 PolarHBondContact O-N 3.38Å; Q932-A935 PolarHBondContact O-N 2.7Å; Q932-S936 VanDerWaalsContact O-CB 3.27Å; Q932-S936 WeakPolarHBondContact O-CB 3.25Å; Q932-S936 PolarHBondContact O-N 2.88Å; Q932-S936 PolarHBondContact O-OG 3.05Å |
| 933 | Q | 91.6 | Very high | 86 | Confident | 120 Ų | 120 | 103.7 Ų | 103.7 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.6 | -36.3 | 173.3 | -75.2 | 174.4 | -6 | 0 | 0 | 112.4 | I929 S936 R937 | I929-Q933 HydrophobicContact CG2-CG 4.33Å; I929-Q933 VanDerWaalsContact O-CB 3.28Å; I929-Q933 WeakPolarHBondContact O-CB 3.43Å; I929-Q933 WeakPolarHBondContact O-CG 3.1Å; I929-Q933 PolarHBondContact O-N 3.37Å; Q933-S936 WeakPolarHBondContact CA-OG 3.23Å; Q933-S936 PolarHBondContact O-OG 3.22Å; Q933-R937 WeakPolarHBondContact O-CB 3.39Å; Q933-R937 PolarHBondContact O-N 2.96Å |
| 934 | L | 75.5 | Confident | 86.3 | Confident | 116 Ų | 116 | 103.7 Ų | 103.7 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -75.6 | -34.2 | 177.2 | -171.6 | 66.5 | 0 | 0 | 0 | 111.1 | R930 A931 A938 | R930-L934 WeakPolarHBondContact O-CB 3.43Å; R930-L934 PolarHBondContact O-N 3.45Å; A931-L934 PolarHBondContact O-N 3.42Å; L934-A938 WeakPolarHBondContact O-CA 3.29Å; L934-A938 WeakPolarHBondContact O-CB 3.48Å; L934-A938 PolarHBondContact O-N 3.15Å |
| 935 | A | 86 | Confident | 86.3 | Confident | 53 Ų | 53 | 106 Ų | 106 | 44% | 0.438 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -75.2 | -40 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A931 Q932 A938 K939 | A931-A935 WeakPolarHBondContact O-CB 3.4Å; A931-A935 PolarHBondContact O-N 2.67Å; Q932-A935 PolarHBondContact O-N 2.7Å; A935-A938 CarbonylContact O-C 3.55Å; A935-A938 PolarHBondContact O-N 3Å; A935-K939 WeakPolarHBondContact O-CB 3.38Å; A935-K939 WeakPolarHBondContact O-CG 3.27Å; A935-K939 PolarHBondContact O-N 2.69Å |
| 936 | S | 89 | Confident | 85.9 | Confident | 67 Ų | 67 | 111.2 Ų | 111.2 | 47% | 0.469 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.5 | -42.9 | 171.8 | 66.5 | 0 | 0 | 0 | 0 | 110.7 | Q932 Q933 A938 K939 L940 | Q932-S936 VanDerWaalsContact O-CB 3.27Å; Q932-S936 WeakPolarHBondContact O-CB 3.25Å; Q932-S936 PolarHBondContact O-N 2.88Å; Q932-S936 PolarHBondContact O-OG 3.05Å; Q933-S936 WeakPolarHBondContact CA-OG 3.23Å; Q933-S936 PolarHBondContact O-OG 3.22Å; S936-A938 VanDerWaalsContact C-N 3.26Å; S936-A938 PolarHBondContact O-N 2.88Å; S936-K939 PolarHBondContact O-N 3.26Å; S936-L940 VanDerWaalsContact O-CB 3.23Å; S936-L940 WeakPolarHBondContact O-CB 3.46Å; S936-L940 PolarHBondContact O-N 2.97Å |
| 937 | R | 88.3 | Confident | 85.7 | Confident | 170 Ų | 170 | 104.9 Ų | 104.9 | 64% | 0.642 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.4 | -31.4 | 169.3 | -172.8 | 177.9 | -178.7 | 114.1 | 0.9 | 112.1 | Q933 L941 | Q933-R937 WeakPolarHBondContact O-CB 3.39Å; Q933-R937 PolarHBondContact O-N 2.96Å; R937-L941 HydrophobicContact CG-CD1 4Å; R937-L941 HydrophobicContact CG-CG 4.3Å; R937-L941 WeakPolarHBondContact O-CB 3.31Å; R937-L941 WeakPolarHBondContact O-CG 3.26Å; R937-L941 PolarHBondContact O-N 2.95Å |
| 938 | A | 84 | Confident | 86.1 | Confident | 51 Ų | 51 | 101.4 Ų | 101.4 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.5 | -42.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L934 A935 S936 L940 L941 E942 | L934-A938 WeakPolarHBondContact O-CA 3.29Å; L934-A938 WeakPolarHBondContact O-CB 3.48Å; L934-A938 PolarHBondContact O-N 3.15Å; A935-A938 CarbonylContact O-C 3.55Å; A935-A938 PolarHBondContact O-N 3Å; S936-A938 VanDerWaalsContact C-N 3.26Å; S936-A938 PolarHBondContact O-N 2.88Å; A938-L940 VanDerWaalsContact C-N 3.3Å; A938-L940 PolarHBondContact O-N 2.81Å; A938-L941 PolarHBondContact O-N 3.31Å; A938-E942 WeakPolarHBondContact O-CB 3.37Å; A938-E942 PolarHBondContact O-N 2.72Å |
| 939 | K | 86.6 | Confident | 86 | Confident | 170 Ų | 170 | 97.7 Ų | 97.7 | 74% | 0.739 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.5 | -41.9 | 169.9 | -77.9 | -173.7 | 176.1 | -172.6 | 0 | 110.7 | A935 S936 E942 H943 | A935-K939 WeakPolarHBondContact O-CB 3.38Å; A935-K939 WeakPolarHBondContact O-CG 3.27Å; A935-K939 PolarHBondContact O-N 2.69Å; S936-K939 PolarHBondContact O-N 3.26Å; K939-E942 PolarHBondContact O-N 3.45Å; K939-H943 VanDerWaalsContact O-CB 3.31Å; K939-H943 WeakPolarHBondContact O-CB 3.34Å; K939-H943 PolarHBondContact O-N 3.29Å |
| 940 | L | 88.5 | Confident | 85.9 | Confident | 124 Ų | 124 | 100.9 Ų | 100.9 | 65% | 0.649 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -74.9 | -38.2 | -179.5 | -159.1 | 159.1 | 0 | 0 | 0 | 112 | S936 A938 H943 S944 | S936-L940 VanDerWaalsContact O-CB 3.23Å; S936-L940 WeakPolarHBondContact O-CB 3.46Å; S936-L940 PolarHBondContact O-N 2.97Å; A938-L940 VanDerWaalsContact C-N 3.3Å; A938-L940 PolarHBondContact O-N 2.81Å; L940-H943 PolarHBondContact O-N 2.86Å; L940-S944 WeakPolarHBondContact O-CB 3.27Å; L940-S944 PolarHBondContact O-N 3.15Å |
| 941 | L | 84.1 | Confident | 86 | Confident | 100 Ų | 100 | 95.6 Ų | 95.6 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.2 | -33.4 | 170.3 | -77.4 | 171.2 | 0 | 0 | 0 | 112.3 | R937 A938 R945 | R937-L941 HydrophobicContact CG-CD1 4Å; R937-L941 HydrophobicContact CG-CG 4.3Å; R937-L941 WeakPolarHBondContact O-CB 3.31Å; R937-L941 WeakPolarHBondContact O-CG 3.26Å; R937-L941 PolarHBondContact O-N 2.95Å; A938-L941 PolarHBondContact O-N 3.31Å; L941-R945 WeakPolarHBondContact O-CB 3.26Å; L941-R945 PolarHBondContact O-N 2.61Å |
| 942 | E | 77.8 | Confident | 86.3 | Confident | 53 Ų | 53 | 100.2 Ų | 100.2 | 25% | 0.248 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -72.2 | -40.4 | 173.4 | 173.9 | 58.8 | -169.7 | 0 | 0 | 110.7 | A938 K939 R945 R946 | A938-E942 WeakPolarHBondContact O-CB 3.37Å; A938-E942 PolarHBondContact O-N 2.72Å; K939-E942 PolarHBondContact O-N 3.45Å; E942-R945 CarbonylContact O-C 3.49Å; E942-R945 PolarHBondContact O-N 3.36Å; E942-R945 IonicContact OE1-CZ 3.3Å; E942-R945 IonicContact OE1-NH2 2.72Å; E942-R945 PolarHBondContact OE1-NH2 2.81Å; E942-R945 IonicContact OE2-CZ 2.65Å; E942-R945 IonicContact OE2-NE 3.25Å; E942-R945 PolarHBondContact OE2-NE 3.13Å; E942-R945 IonicContact OE2-NH2 3.02Å; E942-R945 PolarHBondContact OE2-NH2 3.07Å; E942-R946 WeakPolarHBondContact O-CB 3.49Å; E942-R946 VanDerWaalsContact O-CG 3.25Å; E942-R946 WeakPolarHBondContact O-CG 3.37Å; E942-R946 PolarHBondContact O-N 3.16Å; E942-R946 IonicContact OE1-CZ 2.78Å; E942-R946 IonicContact OE1-NE 3.61Å; E942-R946 PolarHBondContact OE1-NE 2.94Å; E942-R946 IonicContact OE1-NH2 3.2Å; E942-R946 PolarHBondContact OE1-NH2 2.87Å; E942-R946 VanDerWaalsContact OE1-NH2 3.08Å |
| 943 | H | 89.6 | Confident | 86.1 | Confident | 107 Ų | 107 | 100.1 Ų | 100.1 | 50% | 0.495 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 171 | -174 | -111.9 | 0 | 0 | 0 | 111 | K939 L940 R945 R946 A947 | K939-H943 VanDerWaalsContact O-CB 3.31Å; K939-H943 WeakPolarHBondContact O-CB 3.34Å; K939-H943 PolarHBondContact O-N 3.29Å; L940-H943 PolarHBondContact O-N 2.86Å; H943-R945 VanDerWaalsContact C-N 3.33Å; H943-R945 PolarHBondContact O-N 3.05Å; H943-R946 CarbonylContact O-C 3.33Å; H943-R946 PolarHBondContact O-N 3.45Å; H943-A947 VanDerWaalsContact O-CB 3.27Å; H943-A947 WeakPolarHBondContact O-CB 3.28Å; H943-A947 PolarHBondContact O-N 3.28Å |
| 944 | S | 90.1 | Very high | 86 | Confident | 62 Ų | 62 | 100 Ų | 100 | 43% | 0.434 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -38 | 172.4 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | L940 A947 A948 | L940-S944 WeakPolarHBondContact O-CB 3.27Å; L940-S944 PolarHBondContact O-N 3.15Å; S944-A947 PolarHBondContact O-N 3.21Å; S944-A948 WeakPolarHBondContact O-CB 2.96Å; S944-A948 PolarHBondContact O-N 2.86Å |
| 945 | R | 85.8 | Confident | 86.7 | Confident | 153 Ų | 153 | 97 Ų | 97 | 58% | 0.577 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.8 | -38.9 | 174.5 | -169.1 | -173.5 | 70.7 | 87.5 | 5.3 | 111.5 | L941 E942 H943 A949 | L941-R945 WeakPolarHBondContact O-CB 3.26Å; L941-R945 PolarHBondContact O-N 2.61Å; E942-R945 CarbonylContact O-C 3.49Å; E942-R945 PolarHBondContact O-N 3.36Å; E942-R945 IonicContact OE1-CZ 3.3Å; E942-R945 IonicContact OE1-NH2 2.72Å; E942-R945 PolarHBondContact OE1-NH2 2.81Å; E942-R945 IonicContact OE2-CZ 2.65Å; E942-R945 IonicContact OE2-NE 3.25Å; E942-R945 PolarHBondContact OE2-NE 3.13Å; E942-R945 IonicContact OE2-NH2 3.02Å; E942-R945 PolarHBondContact OE2-NH2 3.07Å; H943-R945 VanDerWaalsContact C-N 3.33Å; H943-R945 PolarHBondContact O-N 3.05Å; R945-A949 WeakPolarHBondContact O-CB 3.39Å; R945-A949 PolarHBondContact O-N 2.82Å |
| 946 | R | 80.2 | Confident | 86.9 | Confident | 143 Ų | 143 | 103.8 Ų | 103.8 | 54% | 0.54 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 173 | -72.5 | 173.1 | -169.3 | -167.7 | 4.7 | 111.3 | E942 H943 A949 R950 | E942-R946 WeakPolarHBondContact O-CB 3.49Å; E942-R946 VanDerWaalsContact O-CG 3.25Å; E942-R946 WeakPolarHBondContact O-CG 3.37Å; E942-R946 PolarHBondContact O-N 3.16Å; E942-R946 IonicContact OE1-CZ 2.78Å; E942-R946 IonicContact OE1-NE 3.61Å; E942-R946 PolarHBondContact OE1-NE 2.94Å; E942-R946 IonicContact OE1-NH2 3.2Å; E942-R946 PolarHBondContact OE1-NH2 2.87Å; E942-R946 VanDerWaalsContact OE1-NH2 3.08Å; H943-R946 CarbonylContact O-C 3.33Å; H943-R946 PolarHBondContact O-N 3.45Å; R946-A949 PolarHBondContact O-N 2.77Å; R946-R950 WeakPolarHBondContact O-CB 3.33Å; R946-R950 WeakPolarHBondContact O-CG 3.45Å; R946-R950 PolarHBondContact O-N 3.04Å |
| 947 | A | 85.2 | Confident | 86.8 | Confident | 40 Ų | 40 | 104.9 Ų | 104.9 | 33% | 0.331 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.7 | -45.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | H943 S944 A949 R950 A951 | H943-A947 VanDerWaalsContact O-CB 3.27Å; H943-A947 WeakPolarHBondContact O-CB 3.28Å; H943-A947 PolarHBondContact O-N 3.28Å; S944-A947 PolarHBondContact O-N 3.21Å; A947-A949 VanDerWaalsContact C-N 3.31Å; A947-A949 PolarHBondContact O-N 2.96Å; A947-R950 CarbonylContact O-C 3.49Å; A947-R950 PolarHBondContact O-N 2.92Å; A947-A951 WeakPolarHBondContact O-CB 3.49Å; A947-A951 PolarHBondContact O-N 2.73Å |
| 948 | A | 86.9 | Confident | 86.9 | Confident | 43 Ų | 43 | 102 Ų | 102 | 36% | 0.355 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.6 | -27.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S944 K952 | S944-A948 WeakPolarHBondContact O-CB 2.96Å; S944-A948 PolarHBondContact O-N 2.86Å; A948-K952 WeakPolarHBondContact O-CB 3.41Å; A948-K952 WeakPolarHBondContact O-CG 2.98Å; A948-K952 PolarHBondContact O-N 2.81Å |
| 949 | A | 86 | Confident | 87.3 | Confident | 52 Ų | 52 | 106 Ų | 106 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.8 | -41.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R945 R946 A947 K952 K953 | R945-A949 WeakPolarHBondContact O-CB 3.39Å; R945-A949 PolarHBondContact O-N 2.82Å; R946-A949 PolarHBondContact O-N 2.77Å; A947-A949 VanDerWaalsContact C-N 3.31Å; A947-A949 PolarHBondContact O-N 2.96Å; A949-K952 CarbonylContact O-C 3.54Å; A949-K952 PolarHBondContact O-N 2.9Å; A949-K953 VanDerWaalsContact O-CB 3.27Å; A949-K953 WeakPolarHBondContact O-CB 3.33Å; A949-K953 PolarHBondContact O-N 2.82Å |
| 950 | R | 86.8 | Confident | 86.7 | Confident | 148 Ų | 148 | 102.7 Ų | 102.7 | 56% | 0.558 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.1 | -45.8 | 171.5 | -77.1 | -172.6 | -80.5 | -159.8 | 3.6 | 111.2 | R946 A947 K952 K953 Q954 | R946-R950 WeakPolarHBondContact O-CB 3.33Å; R946-R950 WeakPolarHBondContact O-CG 3.45Å; R946-R950 PolarHBondContact O-N 3.04Å; A947-R950 CarbonylContact O-C 3.49Å; A947-R950 PolarHBondContact O-N 2.92Å; R950-K952 PolarHBondContact O-N 3.38Å; R950-K953 CarbonylContact O-C 3.55Å; R950-K953 WeakPolarHBondContact O-CA 3.44Å; R950-K953 WeakPolarHBondContact O-CB 3.32Å; R950-K953 PolarHBondContact O-N 2.78Å; R950-K953 VanDerWaalsContact O-N 3.15Å; R950-Q954 WeakPolarHBondContact O-CB 3.28Å; R950-Q954 WeakPolarHBondContact O-CG 3.21Å; R950-Q954 PolarHBondContact O-N 2.82Å |
| 951 | A | 89.8 | Confident | 86.7 | Confident | 50 Ų | 50 | 99 Ų | 99 | 41% | 0.413 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.6 | -32.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A947 S955 | A947-A951 WeakPolarHBondContact O-CB 3.49Å; A947-A951 PolarHBondContact O-N 2.73Å; A951-S955 WeakPolarHBondContact O-CB 3.41Å; A951-S955 PolarHBondContact O-N 2.71Å |
| 952 | K | 88.9 | Confident | 86.9 | Confident | 153 Ų | 153 | 97.4 Ų | 97.4 | 67% | 0.665 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -75.1 | -28.5 | 170.1 | -78.7 | 173.9 | -180 | 177.9 | 0 | 112.9 | A948 A949 R950 R956 | A948-K952 WeakPolarHBondContact O-CB 3.41Å; A948-K952 WeakPolarHBondContact O-CG 2.98Å; A948-K952 PolarHBondContact O-N 2.81Å; A949-K952 CarbonylContact O-C 3.54Å; A949-K952 PolarHBondContact O-N 2.9Å; R950-K952 PolarHBondContact O-N 3.38Å; K952-R956 VanDerWaalsContact O-CB 3.31Å; K952-R956 WeakPolarHBondContact O-CB 3.42Å; K952-R956 WeakPolarHBondContact O-CG 3.3Å; K952-R956 PolarHBondContact O-N 3.09Å |
| 953 | K | 86.8 | Confident | 87.3 | Confident | 128 Ų | 128 | 99 Ų | 99 | 56% | 0.557 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.4 | -54.2 | 170.2 | -174 | -174.2 | 155 | 176.1 | 0 | 108.9 | A949 R950 S955 R956 E957 | A949-K953 VanDerWaalsContact O-CB 3.27Å; A949-K953 WeakPolarHBondContact O-CB 3.33Å; A949-K953 PolarHBondContact O-N 2.82Å; R950-K953 CarbonylContact O-C 3.55Å; R950-K953 WeakPolarHBondContact O-CA 3.44Å; R950-K953 WeakPolarHBondContact O-CB 3.32Å; R950-K953 PolarHBondContact O-N 2.78Å; R950-K953 VanDerWaalsContact O-N 3.15Å; K953-S955 PolarHBondContact O-N 2.61Å; K953-R956 CarbonylContact O-C 3.59Å; K953-R956 WeakPolarHBondContact O-CA 2.95Å; K953-R956 VanDerWaalsContact O-CB 3.28Å; K953-R956 WeakPolarHBondContact O-CB 3.33Å; K953-R956 PolarHBondContact O-N 3.28Å; K953-E957 VanDerWaalsContact C-OE2 3.31Å; K953-E957 WeakPolarHBondContact CE-OE1 3.29Å; K953-E957 HydrophobicContact CG-CG 4.46Å; K953-E957 IonicContact NZ-OE1 3.65Å; K953-E957 WeakPolarHBondContact O-CG 3.41Å; K953-E957 PolarHBondContact O-N 3.38Å |
| 954 | Q | 89.4 | Confident | 86.9 | Confident | 117 Ų | 117 | 97.8 Ų | 97.8 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57 | -42.9 | 172.5 | -73.9 | 174.3 | -36 | 0 | 0 | 112.9 | R950 R956 E957 I958 | R950-Q954 WeakPolarHBondContact O-CB 3.28Å; R950-Q954 WeakPolarHBondContact O-CG 3.21Å; R950-Q954 PolarHBondContact O-N 2.82Å; Q954-R956 VanDerWaalsContact C-N 3.28Å; Q954-R956 PolarHBondContact O-N 2.76Å; Q954-E957 WeakPolarHBondContact CA-OE2 3.37Å; Q954-E957 PolarHBondContact N-OE2 2.69Å; Q954-E957 PolarHBondContact O-N 2.67Å; Q954-I958 VanDerWaalsContact O-CB 3.31Å; Q954-I958 WeakPolarHBondContact O-CB 3.46Å; Q954-I958 VanDerWaalsContact O-CG1 3.23Å; Q954-I958 WeakPolarHBondContact O-CG1 3.48Å; Q954-I958 PolarHBondContact O-N 3.26Å |
| 955 | S | 91.8 | Very high | 86.9 | Confident | 53 Ų | 53 | 99 Ų | 99 | 37% | 0.371 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.8 | -27.1 | 175.8 | -172.7 | 0 | 0 | 0 | 0 | 112.4 | A951 K953 K959 | A951-S955 WeakPolarHBondContact O-CB 3.41Å; A951-S955 PolarHBondContact O-N 2.71Å; K953-S955 PolarHBondContact O-N 2.61Å; S955-K959 VanDerWaalsContact O-CB 3.26Å; S955-K959 WeakPolarHBondContact O-CB 3.49Å; S955-K959 WeakPolarHBondContact O-CD 3.35Å; S955-K959 WeakPolarHBondContact O-CG 3.48Å; S955-K959 PolarHBondContact O-N 3.31Å; S955-K959 VanDerWaalsContact O-N 3.16Å |
| 956 | R | 89.1 | Confident | 87 | Confident | 196 Ų | 196 | 96.8 Ų | 96.8 | 74% | 0.74 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -72.7 | -42.8 | 166.8 | -88.9 | 179.1 | 156.4 | -167 | -6.6 | 111.5 | K952 K953 Q954 K959 M960 | K952-R956 VanDerWaalsContact O-CB 3.31Å; K952-R956 WeakPolarHBondContact O-CB 3.42Å; K952-R956 WeakPolarHBondContact O-CG 3.3Å; K952-R956 PolarHBondContact O-N 3.09Å; K953-R956 CarbonylContact O-C 3.59Å; K953-R956 WeakPolarHBondContact O-CA 2.95Å; K953-R956 VanDerWaalsContact O-CB 3.28Å; K953-R956 WeakPolarHBondContact O-CB 3.33Å; K953-R956 PolarHBondContact O-N 3.28Å; Q954-R956 VanDerWaalsContact C-N 3.28Å; Q954-R956 PolarHBondContact O-N 2.76Å; R956-K959 CarbonylContact O-C 3.27Å; R956-K959 PolarHBondContact O-N 3.45Å; R956-M960 WeakPolarHBondContact O-CB 3.11Å; R956-M960 VanDerWaalsContact O-CG 3.28Å; R956-M960 WeakPolarHBondContact O-CG 3.46Å; R956-M960 PolarHBondContact O-N 2.63Å |
| 957 | E | 87.7 | Confident | 87.4 | Confident | 90 Ų | 90 | 95.8 Ų | 95.8 | 42% | 0.421 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.1 | -43.1 | -179.8 | -72.2 | 163.1 | 149.1 | 0 | 0 | 111 | K953 Q954 K959 M960 A961 | K953-E957 VanDerWaalsContact C-OE2 3.31Å; K953-E957 WeakPolarHBondContact CE-OE1 3.29Å; K953-E957 HydrophobicContact CG-CG 4.46Å; K953-E957 IonicContact NZ-OE1 3.65Å; K953-E957 WeakPolarHBondContact O-CG 3.41Å; K953-E957 PolarHBondContact O-N 3.38Å; Q954-E957 WeakPolarHBondContact CA-OE2 3.37Å; Q954-E957 PolarHBondContact N-OE2 2.69Å; Q954-E957 PolarHBondContact O-N 2.67Å; E957-K959 VanDerWaalsContact C-N 3.33Å; E957-K959 PolarHBondContact O-N 3.42Å; E957-M960 PolarHBondContact O-N 3.33Å; E957-A961 WeakPolarHBondContact O-CB 3.31Å; E957-A961 PolarHBondContact O-N 3.29Å |
| 958 | I | 90 | Very high | 87.3 | Confident | 110 Ų | 110 | 99.5 Ų | 99.5 | 56% | 0.564 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.8 | -40.2 | 170.2 | -67.5 | 163.8 | 0 | 0 | 0 | 110.4 | Q954 T962 | Q954-I958 VanDerWaalsContact O-CB 3.31Å; Q954-I958 WeakPolarHBondContact O-CB 3.46Å; Q954-I958 VanDerWaalsContact O-CG1 3.23Å; Q954-I958 WeakPolarHBondContact O-CG1 3.48Å; Q954-I958 PolarHBondContact O-N 3.26Å; I958-T962 WeakPolarHBondContact O-CB 3.46Å; I958-T962 PolarHBondContact O-N 3.21Å; I958-T962 PolarHBondContact O-OG1 3.24Å |
| 959 | K | 91.3 | Very high | 87.2 | Confident | 133 Ų | 133 | 100.3 Ų | 100.3 | 58% | 0.578 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70.7 | -35.3 | 175.3 | -79.2 | 171.5 | -178.5 | 170.1 | 0 | 113.3 | S955 R956 E957 L963 | S955-K959 VanDerWaalsContact O-CB 3.26Å; S955-K959 WeakPolarHBondContact O-CB 3.49Å; S955-K959 WeakPolarHBondContact O-CD 3.35Å; S955-K959 WeakPolarHBondContact O-CG 3.48Å; S955-K959 PolarHBondContact O-N 3.31Å; S955-K959 VanDerWaalsContact O-N 3.16Å; R956-K959 CarbonylContact O-C 3.27Å; R956-K959 PolarHBondContact O-N 3.45Å; E957-K959 VanDerWaalsContact C-N 3.33Å; E957-K959 PolarHBondContact O-N 3.42Å; K959-L963 VanDerWaalsContact O-CB 3.25Å; K959-L963 WeakPolarHBondContact O-CB 3.18Å; K959-L963 VanDerWaalsContact O-CG 3.27Å; K959-L963 WeakPolarHBondContact O-CG 3.25Å; K959-L963 PolarHBondContact O-N 3.28Å |
| 960 | M | 74.4 | Confident | 87.3 | Confident | 102 Ų | 102 | 103.3 Ų | 103.3 | 50% | 0.502 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69 | -49.9 | 173.7 | -73.6 | -55.4 | -56.2 | 0 | 0 | 109.5 | R956 E957 T962 L963 E964 | R956-M960 WeakPolarHBondContact O-CB 3.11Å; R956-M960 VanDerWaalsContact O-CG 3.28Å; R956-M960 WeakPolarHBondContact O-CG 3.46Å; R956-M960 PolarHBondContact O-N 2.63Å; E957-M960 PolarHBondContact O-N 3.33Å; M960-T962 VanDerWaalsContact C-N 3.29Å; M960-T962 PolarHBondContact O-N 3.43Å; M960-L963 CarbonylContact O-C 3.54Å; M960-L963 PolarHBondContact O-N 2.99Å; M960-L963 VanDerWaalsContact O-N 3.08Å; M960-E964 VanDerWaalsContact O-CB 3.28Å; M960-E964 WeakPolarHBondContact O-CB 3.33Å; M960-E964 VanDerWaalsContact O-CG 3.24Å; M960-E964 WeakPolarHBondContact O-CG 3.32Å; M960-E964 PolarHBondContact O-N 3.49Å |
| 961 | A | 88.5 | Confident | 87 | Confident | 45 Ų | 45 | 100 Ų | 100 | 37% | 0.372 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.5 | -35.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E957 E965 | E957-A961 WeakPolarHBondContact O-CB 3.31Å; E957-A961 PolarHBondContact O-N 3.29Å; A961-E965 WeakPolarHBondContact O-CB 3.28Å; A961-E965 PolarHBondContact O-N 3.16Å |
| 962 | T | 89.1 | Confident | 86.9 | Confident | 67 Ų | 67 | 102.6 Ų | 102.6 | 41% | 0.411 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -72.6 | -37.6 | 173.5 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | I958 M960 E965 Q966 | I958-T962 WeakPolarHBondContact O-CB 3.46Å; I958-T962 PolarHBondContact O-N 3.21Å; I958-T962 PolarHBondContact O-OG1 3.24Å; M960-T962 VanDerWaalsContact C-N 3.29Å; M960-T962 PolarHBondContact O-N 3.43Å; T962-E965 PolarHBondContact O-N 3.46Å; T962-Q966 VanDerWaalsContact O-CB 3.29Å; T962-Q966 WeakPolarHBondContact O-CB 3.45Å; T962-Q966 WeakPolarHBondContact O-CG 3.3Å; T962-Q966 PolarHBondContact O-N 2.86Å |
| 963 | L | 85.4 | Confident | 87 | Confident | 88 Ų | 88 | 101.4 Ų | 101.4 | 46% | 0.461 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.3 | -34.8 | 173.9 | -81.1 | 167.7 | 0 | 0 | 0 | 112 | K959 M960 Q966 Q967 | K959-L963 VanDerWaalsContact O-CB 3.25Å; K959-L963 WeakPolarHBondContact O-CB 3.18Å; K959-L963 VanDerWaalsContact O-CG 3.27Å; K959-L963 WeakPolarHBondContact O-CG 3.25Å; K959-L963 PolarHBondContact O-N 3.28Å; M960-L963 CarbonylContact O-C 3.54Å; M960-L963 PolarHBondContact O-N 2.99Å; M960-L963 VanDerWaalsContact O-N 3.08Å; L963-Q966 CarbonylContact O-C 3.58Å; L963-Q967 VanDerWaalsContact O-CB 3.31Å; L963-Q967 WeakPolarHBondContact O-CB 3.28Å; L963-Q967 VanDerWaalsContact O-CG 3.25Å; L963-Q967 WeakPolarHBondContact O-CG 3.26Å; L963-Q967 PolarHBondContact O-N 3.22Å |
| 964 | E | 82.5 | Confident | 87.1 | Confident | 80 Ų | 80 | 99.2 Ų | 99.2 | 37% | 0.374 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.8 | -34.6 | 171.6 | -74.5 | 171.3 | -151.4 | 0 | 0 | 110.9 | M960 Q967 R968 | M960-E964 VanDerWaalsContact O-CB 3.28Å; M960-E964 WeakPolarHBondContact O-CB 3.33Å; M960-E964 VanDerWaalsContact O-CG 3.24Å; M960-E964 WeakPolarHBondContact O-CG 3.32Å; M960-E964 PolarHBondContact O-N 3.49Å; E964-Q967 CarbonylContact O-C 3.6Å; E964-Q967 PolarHBondContact O-N 3.24Å; E964-R968 VanDerWaalsContact O-CB 3.31Å; E964-R968 WeakPolarHBondContact O-CB 3.5Å; E964-R968 VanDerWaalsContact O-CG 3.27Å; E964-R968 WeakPolarHBondContact O-CG 3.38Å; E964-R968 PolarHBondContact O-N 2.63Å; E964-R968 IonicContact OE2-NH1 2.74Å; E964-R968 PolarHBondContact OE2-NH1 3.02Å |
| 965 | E | 88.2 | Confident | 87 | Confident | 88 Ų | 88 | 100.9 Ų | 100.9 | 41% | 0.411 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -74.6 | -36.5 | 173.8 | -165.9 | 55 | -136.5 | 0 | 0 | 110.9 | A961 T962 Q967 R968 T969 | A961-E965 WeakPolarHBondContact O-CB 3.28Å; A961-E965 PolarHBondContact O-N 3.16Å; T962-E965 PolarHBondContact O-N 3.46Å; E965-Q967 VanDerWaalsContact C-N 3.3Å; E965-R968 PolarHBondContact O-N 3.01Å; E965-R968 IonicContact OE2-CZ 2.74Å; E965-R968 IonicContact OE2-NE 2.73Å; E965-R968 PolarHBondContact OE2-NE 3.31Å; E965-R968 IonicContact OE2-NH2 2.63Å; E965-R968 PolarHBondContact OE2-NH2 3.42Å; E965-T969 HydrophobicContact CG-CG2 4.47Å; E965-T969 VanDerWaalsContact O-CB 3.32Å; E965-T969 WeakPolarHBondContact O-CB 3.26Å; E965-T969 WeakPolarHBondContact O-CG2 3.42Å; E965-T969 PolarHBondContact O-N 2.9Å; E965-T969 PolarHBondContact O-OG1 3.31Å |
| 966 | Q | 90 | Very high | 86.9 | Confident | 107 Ų | 107 | 100.7 Ų | 100.7 | 50% | 0.5 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.3 | -35.3 | 167.1 | -75.3 | 172.2 | 4.4 | 0 | 0 | 111.4 | T962 L963 T969 H970 | T962-Q966 VanDerWaalsContact O-CB 3.29Å; T962-Q966 WeakPolarHBondContact O-CB 3.45Å; T962-Q966 WeakPolarHBondContact O-CG 3.3Å; T962-Q966 PolarHBondContact O-N 2.86Å; L963-Q966 CarbonylContact O-C 3.58Å; Q966-T969 WeakPolarHBondContact CA-OG1 3.48Å; Q966-T969 PolarHBondContact O-OG1 3.11Å; Q966-H970 WeakPolarHBondContact O-CA 3.36Å; Q966-H970 WeakPolarHBondContact O-CB 3.39Å; Q966-H970 PolarHBondContact O-N 3.36Å |
| 967 | Q | 87.4 | Confident | 87 | Confident | 122 Ų | 122 | 97.4 Ų | 97.4 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -71.9 | -43 | 172.3 | -80.2 | 178.7 | 1.8 | 0 | 0 | 111.8 | L963 E964 E965 H970 I971 | L963-Q967 VanDerWaalsContact O-CB 3.31Å; L963-Q967 WeakPolarHBondContact O-CB 3.28Å; L963-Q967 VanDerWaalsContact O-CG 3.25Å; L963-Q967 WeakPolarHBondContact O-CG 3.26Å; L963-Q967 PolarHBondContact O-N 3.22Å; E964-Q967 CarbonylContact O-C 3.6Å; E964-Q967 PolarHBondContact O-N 3.24Å; E965-Q967 VanDerWaalsContact C-N 3.3Å; Q967-H970 PolarHBondContact O-N 3.48Å; Q967-I971 HydrophobicContact CB-CD1 4.46Å; Q967-I971 WeakPolarHBondContact O-CA 3.45Å; Q967-I971 WeakPolarHBondContact O-CB 3.38Å; Q967-I971 WeakPolarHBondContact O-CD1 3.38Å; Q967-I971 WeakPolarHBondContact O-CG1 3.33Å; Q967-I971 PolarHBondContact O-N 3.33Å |
| 968 | R | 82.8 | Confident | 86.7 | Confident | 118 Ų | 118 | 96.9 Ų | 96.9 | 45% | 0.445 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.2 | -53.9 | 176.2 | -78.3 | -176.6 | -66.5 | -96.6 | -0.5 | 109.7 | E964 E965 H970 I971 E972 | E964-R968 VanDerWaalsContact O-CB 3.31Å; E964-R968 WeakPolarHBondContact O-CB 3.5Å; E964-R968 VanDerWaalsContact O-CG 3.27Å; E964-R968 WeakPolarHBondContact O-CG 3.38Å; E964-R968 PolarHBondContact O-N 2.63Å; E964-R968 IonicContact OE2-NH1 2.74Å; E964-R968 PolarHBondContact OE2-NH1 3.02Å; E965-R968 PolarHBondContact O-N 3.01Å; E965-R968 IonicContact OE2-CZ 2.74Å; E965-R968 IonicContact OE2-NE 2.73Å; E965-R968 PolarHBondContact OE2-NE 3.31Å; E965-R968 IonicContact OE2-NH2 2.63Å; E965-R968 PolarHBondContact OE2-NH2 3.42Å; R968-H970 PolarHBondContact O-N 2.96Å; R968-I971 CarbonylContact O-C 3.57Å; R968-I971 PolarHBondContact O-N 3.11Å; R968-E972 WeakPolarHBondContact O-CB 3.48Å; R968-E972 PolarHBondContact O-N 2.89Å |
| 969 | T | 84.6 | Confident | 86.6 | Confident | 60 Ų | 60 | 96.7 Ų | 96.7 | 37% | 0.368 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.1 | -35.7 | 175.7 | 56.4 | 0 | 0 | 0 | 0 | 113.3 | E965 Q966 E972 Q973 | E965-T969 HydrophobicContact CG-CG2 4.47Å; E965-T969 VanDerWaalsContact O-CB 3.32Å; E965-T969 WeakPolarHBondContact O-CB 3.26Å; E965-T969 WeakPolarHBondContact O-CG2 3.42Å; E965-T969 PolarHBondContact O-N 2.9Å; E965-T969 PolarHBondContact O-OG1 3.31Å; Q966-T969 WeakPolarHBondContact CA-OG1 3.48Å; Q966-T969 PolarHBondContact O-OG1 3.11Å; T969-E972 PolarHBondContact O-N 3.08Å; T969-Q973 VanDerWaalsContact O-CB 3.24Å; T969-Q973 WeakPolarHBondContact O-CB 3.38Å; T969-Q973 WeakPolarHBondContact O-CG 3.28Å; T969-Q973 PolarHBondContact O-N 3.23Å |
| 970 | H | 89 | Confident | 86.5 | Confident | 114 Ų | 114 | 96.6 Ų | 96.6 | 53% | 0.528 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -70.5 | -39 | 173 | -179.4 | -96.5 | 0 | 0 | 0 | 111.9 | Q966 Q967 R968 E972 L974 | Q966-H970 WeakPolarHBondContact O-CA 3.36Å; Q966-H970 WeakPolarHBondContact O-CB 3.39Å; Q966-H970 PolarHBondContact O-N 3.36Å; Q967-H970 PolarHBondContact O-N 3.48Å; R968-H970 PolarHBondContact O-N 2.96Å; H970-E972 VanDerWaalsContact C-N 3.32Å; H970-L974 WeakPolarHBondContact O-CA 3.49Å; H970-L974 WeakPolarHBondContact O-CB 3.48Å; H970-L974 PolarHBondContact O-N 3.29Å |
| 971 | I | 81.4 | Confident | 87.3 | Confident | 78 Ų | 78 | 98.9 Ų | 98.9 | 40% | 0.4 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 173.5 | -73.3 | 163.7 | 0 | 0 | 0 | 110 | Q967 R968 L974 R975 | Q967-I971 HydrophobicContact CB-CD1 4.46Å; Q967-I971 WeakPolarHBondContact O-CA 3.45Å; Q967-I971 WeakPolarHBondContact O-CB 3.38Å; Q967-I971 WeakPolarHBondContact O-CD1 3.38Å; Q967-I971 WeakPolarHBondContact O-CG1 3.33Å; Q967-I971 PolarHBondContact O-N 3.33Å; R968-I971 CarbonylContact O-C 3.57Å; R968-I971 PolarHBondContact O-N 3.11Å; I971-L974 CarbonylContact O-C 3.57Å; I971-L974 PolarHBondContact O-N 2.7Å; I971-R975 HydrophobicContact CG2-CG 4.31Å; I971-R975 VanDerWaalsContact O-CB 3.24Å; I971-R975 WeakPolarHBondContact O-CB 3.49Å; I971-R975 WeakPolarHBondContact O-CG 3.44Å; I971-R975 PolarHBondContact O-N 2.9Å |
| 972 | E | 87.6 | Confident | 87.2 | Confident | 105 Ų | 105 | 101.9 Ų | 101.9 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -76 | -41.1 | 179.8 | -160.2 | 54.7 | -136.3 | 0 | 0 | 111.4 | R968 T969 H970 L974 R975 S976 | R968-E972 WeakPolarHBondContact O-CB 3.48Å; R968-E972 PolarHBondContact O-N 2.89Å; T969-E972 PolarHBondContact O-N 3.08Å; H970-E972 VanDerWaalsContact C-N 3.32Å; E972-L974 VanDerWaalsContact C-N 3.32Å; E972-L974 PolarHBondContact O-N 3.19Å; E972-R975 PolarHBondContact O-N 2.65Å; E972-R975 IonicContact OE2-NH1 2.98Å; E972-S976 VanDerWaalsContact O-CB 3.23Å; E972-S976 WeakPolarHBondContact O-CB 3.46Å; E972-S976 PolarHBondContact O-N 2.95Å |
| 973 | Q | 89.6 | Confident | 87.1 | Confident | 129 Ų | 129 | 101.9 Ų | 101.9 | 60% | 0.603 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62 | -40.6 | 167.2 | -74.9 | 177.5 | 23.4 | 0 | 0 | 111.3 | T969 K977 | T969-Q973 VanDerWaalsContact O-CB 3.24Å; T969-Q973 WeakPolarHBondContact O-CB 3.38Å; T969-Q973 WeakPolarHBondContact O-CG 3.28Å; T969-Q973 PolarHBondContact O-N 3.23Å; Q973-K977 WeakPolarHBondContact O-CB 3.32Å; Q973-K977 PolarHBondContact O-N 3.46Å |
| 974 | L | 89.1 | Confident | 87.1 | Confident | 81 Ų | 81 | 101 Ų | 101 | 42% | 0.424 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70 | -37.9 | 177.9 | -169.3 | 71.4 | 0 | 0 | 0 | 110.8 | H970 I971 E972 K977 I978 | H970-L974 WeakPolarHBondContact O-CA 3.49Å; H970-L974 WeakPolarHBondContact O-CB 3.48Å; H970-L974 PolarHBondContact O-N 3.29Å; I971-L974 CarbonylContact O-C 3.57Å; I971-L974 PolarHBondContact O-N 2.7Å; E972-L974 VanDerWaalsContact C-N 3.32Å; E972-L974 PolarHBondContact O-N 3.19Å; L974-K977 CarbonylContact O-C 3.02Å; L974-K977 PolarHBondContact O-N 2.67Å; L974-I978 HydrophobicContact CD2-CD1 4.26Å; L974-I978 HydrophobicContact CG-CD1 3.81Å; L974-I978 HydrophobicContact CG-CG1 4.32Å; L974-I978 WeakPolarHBondContact O-CA 3.01Å; L974-I978 WeakPolarHBondContact O-CB 2.94Å; L974-I978 WeakPolarHBondContact O-CG1 3.34Å; L974-I978 PolarHBondContact O-N 3.35Å |
| 975 | R | 88.1 | Confident | 87.2 | Confident | 153 Ų | 153 | 99.6 Ų | 99.6 | 58% | 0.577 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.6 | -52.5 | 170.6 | -80.8 | 168.4 | 172.2 | -167 | -5.3 | 110.5 | I971 E972 K977 I978 Q979 | I971-R975 HydrophobicContact CG2-CG 4.31Å; I971-R975 VanDerWaalsContact O-CB 3.24Å; I971-R975 WeakPolarHBondContact O-CB 3.49Å; I971-R975 WeakPolarHBondContact O-CG 3.44Å; I971-R975 PolarHBondContact O-N 2.9Å; E972-R975 PolarHBondContact O-N 2.65Å; E972-R975 IonicContact OE2-NH1 2.98Å; R975-K977 PolarHBondContact O-N 3.08Å; R975-I978 CarbonylContact O-C 2.98Å; R975-I978 PolarHBondContact O-N 3.01Å; R975-I978 VanDerWaalsContact O-N 3.16Å; R975-Q979 VanDerWaalsContact O-CB 3.24Å; R975-Q979 WeakPolarHBondContact O-CB 3.29Å; R975-Q979 PolarHBondContact O-N 3.04Å |
| 976 | S | 89.6 | Confident | 87.1 | Confident | 49 Ų | 49 | 100.3 Ų | 100.3 | 34% | 0.343 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59 | -28.9 | 174.7 | 177.1 | 0 | 0 | 0 | 0 | 113.1 | E972 R980 | E972-S976 VanDerWaalsContact O-CB 3.23Å; E972-S976 WeakPolarHBondContact O-CB 3.46Å; E972-S976 PolarHBondContact O-N 2.95Å; S976-R980 VanDerWaalsContact O-CB 3.27Å; S976-R980 WeakPolarHBondContact O-CB 3.27Å; S976-R980 WeakPolarHBondContact O-CG 3.45Å; S976-R980 PolarHBondContact O-N 2.88Å; S976-R980 PolarHBondContact O-NE 3.1Å; S976-R980 PolarHBondContact OG-NE 3.45Å; S976-R980 PolarHBondContact OG-NH2 3.31Å; S976-R980 VanDerWaalsContact OG-NH2 3.12Å |
| 977 | K | 90.3 | Very high | 87 | Confident | 126 Ų | 126 | 101.6 Ų | 101.6 | 55% | 0.548 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -92.2 | -22.1 | 179 | -165.3 | 174.9 | -167.4 | 173.2 | 0 | 113 | Q973 L974 R975 K981 | Q973-K977 WeakPolarHBondContact O-CB 3.32Å; Q973-K977 PolarHBondContact O-N 3.46Å; L974-K977 CarbonylContact O-C 3.02Å; L974-K977 PolarHBondContact O-N 2.67Å; R975-K977 PolarHBondContact O-N 3.08Å; K977-K981 WeakPolarHBondContact O-CB 3.48Å; K977-K981 WeakPolarHBondContact O-CG 2.89Å; K977-K981 PolarHBondContact O-N 3.27Å; K977-K981 VanDerWaalsContact O-N 3.09Å |
| 978 | I | 82.3 | Confident | 86.7 | Confident | 80 Ų | 80 | 102.1 Ų | 102.1 | 41% | 0.41 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -75.5 | -49 | 166.3 | -77.9 | 167.1 | 0 | 0 | 0 | 108.1 | L974 R975 K981 Q982 | L974-I978 HydrophobicContact CD2-CD1 4.26Å; L974-I978 HydrophobicContact CG-CD1 3.81Å; L974-I978 HydrophobicContact CG-CG1 4.32Å; L974-I978 WeakPolarHBondContact O-CA 3.01Å; L974-I978 WeakPolarHBondContact O-CB 2.94Å; L974-I978 WeakPolarHBondContact O-CG1 3.34Å; L974-I978 PolarHBondContact O-N 3.35Å; R975-I978 CarbonylContact O-C 2.98Å; R975-I978 PolarHBondContact O-N 3.01Å; R975-I978 VanDerWaalsContact O-N 3.16Å; I978-K981 CarbonylContact O-C 3.47Å; I978-K981 VanDerWaalsContact O-C 3.3Å; I978-K981 WeakPolarHBondContact O-CA 3Å; I978-K981 WeakPolarHBondContact O-CB 2.8Å; I978-K981 PolarHBondContact O-N 3.11Å; I978-Q982 HydrophobicContact CG2-CG 4.34Å; I978-Q982 WeakPolarHBondContact O-CB 3.37Å; I978-Q982 WeakPolarHBondContact O-CG 3.27Å; I978-Q982 PolarHBondContact O-N 2.84Å |
| 979 | Q | 87.8 | Confident | 86.7 | Confident | 106 Ų | 106 | 101.4 Ų | 101.4 | 50% | 0.495 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60 | -51.2 | 174 | -179.4 | 173.7 | -22.3 | 0 | 0 | 110.9 | R975 K981 Q982 E983 | R975-Q979 VanDerWaalsContact O-CB 3.24Å; R975-Q979 WeakPolarHBondContact O-CB 3.29Å; R975-Q979 PolarHBondContact O-N 3.04Å; Q979-K981 PolarHBondContact O-N 2.91Å; Q979-Q982 CarbonylContact O-C 3.3Å; Q979-Q982 WeakPolarHBondContact O-CA 3.3Å; Q979-Q982 WeakPolarHBondContact O-CB 3.49Å; Q979-Q982 PolarHBondContact O-N 3.3Å; Q979-E983 HydrophobicContact CG-CG 4.18Å; Q979-E983 VanDerWaalsContact CG-OE1 3.31Å; Q979-E983 WeakPolarHBondContact CG-OE1 3.24Å; Q979-E983 PolarHBondContact NE2-OE1 3.17Å; Q979-E983 WeakPolarHBondContact O-CB 3.25Å; Q979-E983 WeakPolarHBondContact O-CG 3.03Å; Q979-E983 PolarHBondContact O-N 2.8Å |
| 980 | R | 88.2 | Confident | 86.6 | Confident | 131 Ų | 131 | 102.9 Ų | 102.9 | 49% | 0.494 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.6 | -26.6 | 171.8 | -82.5 | 176 | -68.5 | 135.7 | -4.9 | 113.3 | S976 E984 | S976-R980 VanDerWaalsContact O-CB 3.27Å; S976-R980 WeakPolarHBondContact O-CB 3.27Å; S976-R980 WeakPolarHBondContact O-CG 3.45Å; S976-R980 PolarHBondContact O-N 2.88Å; S976-R980 PolarHBondContact O-NE 3.1Å; S976-R980 PolarHBondContact OG-NE 3.45Å; S976-R980 PolarHBondContact OG-NH2 3.31Å; S976-R980 VanDerWaalsContact OG-NH2 3.12Å; R980-E984 WeakPolarHBondContact O-CB 3.36Å; R980-E984 PolarHBondContact O-N 2.93Å |
| 981 | K | 90.8 | Very high | 86.1 | Confident | 149 Ų | 149 | 103.3 Ų | 103.3 | 65% | 0.648 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -76.4 | -27.6 | 169.5 | -87.9 | -177 | 171.1 | -167.6 | 0 | 112.8 | K977 I978 Q979 S985 | K977-K981 WeakPolarHBondContact O-CB 3.48Å; K977-K981 WeakPolarHBondContact O-CG 2.89Å; K977-K981 PolarHBondContact O-N 3.27Å; K977-K981 VanDerWaalsContact O-N 3.09Å; I978-K981 CarbonylContact O-C 3.47Å; I978-K981 VanDerWaalsContact O-C 3.3Å; I978-K981 WeakPolarHBondContact O-CA 3Å; I978-K981 WeakPolarHBondContact O-CB 2.8Å; I978-K981 PolarHBondContact O-N 3.11Å; Q979-K981 PolarHBondContact O-N 2.91Å; K981-S985 WeakPolarHBondContact O-CA 3.34Å; K981-S985 WeakPolarHBondContact O-CB 3.48Å; K981-S985 PolarHBondContact O-N 3.35Å; K981-S985 PolarHBondContact O-OG 3.35Å |
| 982 | Q | 87.4 | Confident | 86.1 | Confident | 108 Ų | 108 | 101.8 Ų | 101.8 | 51% | 0.505 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.9 | -62.8 | 172.6 | -76.5 | 168.4 | -52.7 | 0 | 0 | 107.1 | I978 Q979 E984 S985 E986 | I978-Q982 HydrophobicContact CG2-CG 4.34Å; I978-Q982 WeakPolarHBondContact O-CB 3.37Å; I978-Q982 WeakPolarHBondContact O-CG 3.27Å; I978-Q982 PolarHBondContact O-N 2.84Å; Q979-Q982 CarbonylContact O-C 3.3Å; Q979-Q982 WeakPolarHBondContact O-CA 3.3Å; Q979-Q982 WeakPolarHBondContact O-CB 3.49Å; Q979-Q982 PolarHBondContact O-N 3.3Å; Q982-E984 PolarHBondContact O-N 3.17Å; Q982-E984 VanDerWaalsContact O-N 3.12Å; Q982-S985 WeakPolarHBondContact CA-OG 3.04Å; Q982-S985 CarbonylContact O-C 3.48Å; Q982-S985 VanDerWaalsContact O-C 3.27Å; Q982-S985 WeakPolarHBondContact O-CA 3.46Å; Q982-S985 PolarHBondContact O-N 3.06Å; Q982-S985 PolarHBondContact O-OG 3.41Å; Q982-E986 WeakPolarHBondContact O-CA 3.42Å; Q982-E986 WeakPolarHBondContact O-CB 3.48Å; Q982-E986 PolarHBondContact O-N 2.97Å |
| 983 | E | 86.9 | Confident | 85.3 | Confident | 67 Ų | 67 | 100.3 Ų | 100.3 | 31% | 0.313 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -48 | -37.4 | 171.2 | -66.6 | 169.2 | -175.5 | 0 | 0 | 114.1 | Q979 E986 R987 | Q979-E983 HydrophobicContact CG-CG 4.18Å; Q979-E983 VanDerWaalsContact CG-OE1 3.31Å; Q979-E983 WeakPolarHBondContact CG-OE1 3.24Å; Q979-E983 PolarHBondContact NE2-OE1 3.17Å; Q979-E983 WeakPolarHBondContact O-CB 3.25Å; Q979-E983 WeakPolarHBondContact O-CG 3.03Å; Q979-E983 PolarHBondContact O-N 2.8Å; E983-E986 CarbonylContact O-C 3.36Å; E983-R987 WeakPolarHBondContact O-CB 3.14Å; E983-R987 PolarHBondContact O-N 3.32Å |
| 984 | E | 86.5 | Confident | 84.7 | Confident | 69 Ų | 69 | 101.9 Ų | 101.9 | 32% | 0.322 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -84.8 | -30.6 | 176 | -178.2 | 51.6 | -143.8 | 0 | 0 | 112.6 | R980 Q982 R987 R988 | R980-E984 WeakPolarHBondContact O-CB 3.36Å; R980-E984 PolarHBondContact O-N 2.93Å; Q982-E984 PolarHBondContact O-N 3.17Å; Q982-E984 VanDerWaalsContact O-N 3.12Å; E984-R987 IonicContact OE2-CZ 2.91Å; E984-R987 VanDerWaalsContact OE2-CZ 3.25Å; E984-R987 IonicContact OE2-NE 3.32Å; E984-R987 PolarHBondContact OE2-NE 3.44Å; E984-R987 IonicContact OE2-NH2 3.54Å; E984-R987 PolarHBondContact OE2-NH2 3.06Å; E984-R988 VanDerWaalsContact O-CB 3.26Å; E984-R988 WeakPolarHBondContact O-CB 3.35Å; E984-R988 VanDerWaalsContact O-CG 3.32Å; E984-R988 WeakPolarHBondContact O-CG 3.39Å; E984-R988 PolarHBondContact O-N 2.88Å; E984-R988 PolarHBondContact O-NE 3.45Å; E984-R988 VanDerWaalsContact OE1-CD 3.32Å; E984-R988 WeakPolarHBondContact OE1-CD 3.4Å; E984-R988 WeakPolarHBondContact OE1-CG 3.33Å; E984-R988 IonicContact OE1-NE 3.52Å; E984-R988 PolarHBondContact OE1-NE 3.49Å |
| 985 | S | 83.8 | Confident | 84.2 | Confident | 52 Ų | 52 | 100.9 Ų | 100.9 | 36% | 0.364 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -71.3 | -19.3 | 164.5 | 73.7 | 0 | 0 | 0 | 0 | 112 | K981 Q982 R988 H989 | K981-S985 WeakPolarHBondContact O-CA 3.34Å; K981-S985 WeakPolarHBondContact O-CB 3.48Å; K981-S985 PolarHBondContact O-N 3.35Å; K981-S985 PolarHBondContact O-OG 3.35Å; Q982-S985 WeakPolarHBondContact CA-OG 3.04Å; Q982-S985 CarbonylContact O-C 3.48Å; Q982-S985 VanDerWaalsContact O-C 3.27Å; Q982-S985 WeakPolarHBondContact O-CA 3.46Å; Q982-S985 PolarHBondContact O-N 3.06Å; Q982-S985 PolarHBondContact O-OG 3.41Å; S985-R988 CarbonylContact O-C 3.56Å; S985-H989 VanDerWaalsContact O-CA 3.26Å; S985-H989 WeakPolarHBondContact O-CA 3.44Å; S985-H989 WeakPolarHBondContact O-CB 3.27Å; S985-H989 PolarHBondContact O-N 3.11Å |
| 986 | E | 86.4 | Confident | 83.2 | Confident | 102 Ų | 102 | 97.6 Ų | 97.6 | 48% | 0.477 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -98.1 | -29.8 | -175.4 | -176.5 | 175.7 | -141.4 | 0 | 0 | 110.3 | Q982 E983 Q990 | Q982-E986 WeakPolarHBondContact O-CA 3.42Å; Q982-E986 WeakPolarHBondContact O-CB 3.48Å; Q982-E986 PolarHBondContact O-N 2.97Å; E983-E986 CarbonylContact O-C 3.36Å; E986-Q990 WeakPolarHBondContact O-CA 3.43Å; E986-Q990 WeakPolarHBondContact O-CB 3.44Å; E986-Q990 WeakPolarHBondContact O-CG 3.29Å; E986-Q990 PolarHBondContact O-N 3.37Å |
| 987 | R | 88.3 | Confident | 82.2 | Confident | 135 Ų | 135 | 99.2 Ų | 99.2 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.5 | -53.4 | 155.2 | -87.6 | -169.3 | -64.2 | -80.7 | -4.8 | 110.1 | E983 E984 H989 Q990 E991 | E983-R987 WeakPolarHBondContact O-CB 3.14Å; E983-R987 PolarHBondContact O-N 3.32Å; E984-R987 IonicContact OE2-CZ 2.91Å; E984-R987 VanDerWaalsContact OE2-CZ 3.25Å; E984-R987 IonicContact OE2-NE 3.32Å; E984-R987 PolarHBondContact OE2-NE 3.44Å; E984-R987 IonicContact OE2-NH2 3.54Å; E984-R987 PolarHBondContact OE2-NH2 3.06Å; R987-H989 PolarHBondContact O-N 3.19Å; R987-Q990 PolarHBondContact O-N 3.24Å; R987-E991 WeakPolarHBondContact O-CB 3.46Å; R987-E991 PolarHBondContact O-N 3.17Å |
| 988 | R | 79.9 | Confident | 81.1 | Confident | 132 Ų | 132 | 98.2 Ų | 98.2 | 50% | 0.498 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.2 | -17.9 | 177.5 | -69.5 | 178.6 | -60.3 | 112.1 | 11.2 | 113.5 | E984 S985 S992 | E984-R988 VanDerWaalsContact O-CB 3.26Å; E984-R988 WeakPolarHBondContact O-CB 3.35Å; E984-R988 VanDerWaalsContact O-CG 3.32Å; E984-R988 WeakPolarHBondContact O-CG 3.39Å; E984-R988 PolarHBondContact O-N 2.88Å; E984-R988 PolarHBondContact O-NE 3.45Å; E984-R988 VanDerWaalsContact OE1-CD 3.32Å; E984-R988 WeakPolarHBondContact OE1-CD 3.4Å; E984-R988 WeakPolarHBondContact OE1-CG 3.33Å; E984-R988 IonicContact OE1-NE 3.52Å; E984-R988 PolarHBondContact OE1-NE 3.49Å; S985-R988 CarbonylContact O-C 3.56Å; R988-S992 WeakPolarHBondContact O-CA 3.23Å; R988-S992 WeakPolarHBondContact O-CB 3.3Å; R988-S992 PolarHBondContact O-N 2.98Å |
| 989 | H | 83.8 | Confident | 80.4 | Confident | 103 Ų | 103 | 99.2 Ų | 99.2 | 48% | 0.477 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -92.8 | -26.8 | 172.4 | 178.9 | 70.4 | 0 | 0 | 0 | 111.4 | S985 R987 S992 L993 | S985-H989 VanDerWaalsContact O-CA 3.26Å; S985-H989 WeakPolarHBondContact O-CA 3.44Å; S985-H989 WeakPolarHBondContact O-CB 3.27Å; S985-H989 PolarHBondContact O-N 3.11Å; R987-H989 PolarHBondContact O-N 3.19Å; H989-S992 CarbonylContact O-C 3.58Å; H989-L993 WeakPolarHBondContact NE2-CD1 3.09Å; H989-L993 VanDerWaalsContact O-CA 3.31Å; H989-L993 WeakPolarHBondContact O-CA 3.36Å; H989-L993 WeakPolarHBondContact O-CB 3.44Å; H989-L993 WeakPolarHBondContact O-CD1 3.31Å; H989-L993 WeakPolarHBondContact O-CG 3.44Å; H989-L993 PolarHBondContact O-N 3.16Å |
| 990 | Q | 81.6 | Confident | 78.4 | Confident | 91 Ų | 91 | 96.3 Ų | 96.3 | 43% | 0.425 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -72.8 | -36.8 | 165.4 | -77.9 | 178.3 | 27.6 | 0 | 0 | 110.9 | E986 R987 L993 R994 | E986-Q990 WeakPolarHBondContact O-CA 3.43Å; E986-Q990 WeakPolarHBondContact O-CB 3.44Å; E986-Q990 WeakPolarHBondContact O-CG 3.29Å; E986-Q990 PolarHBondContact O-N 3.37Å; R987-Q990 PolarHBondContact O-N 3.24Å; Q990-L993 CarbonylContact O-C 3.49Å; Q990-L993 PolarHBondContact O-N 3.38Å; Q990-R994 WeakPolarHBondContact O-CB 3.1Å; Q990-R994 WeakPolarHBondContact O-CG 3.36Å; Q990-R994 PolarHBondContact O-N 2.92Å |
| 991 | E | 79.8 | Confident | 76.7 | Confident | 123 Ų | 123 | 98.1 Ų | 98.1 | 58% | 0.575 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -69.7 | -45.8 | 170.4 | -176.3 | 170.7 | -128.2 | 0 | 0 | 110.1 | R987 L993 R994 E995 | R987-E991 WeakPolarHBondContact O-CB 3.46Å; R987-E991 PolarHBondContact O-N 3.17Å; E991-L993 PolarHBondContact O-N 3.43Å; E991-R994 CarbonylContact O-C 3.57Å; E991-R994 PolarHBondContact O-N 2.79Å; E991-E995 WeakPolarHBondContact O-CB 3.39Å; E991-E995 PolarHBondContact O-N 3.38Å |
| 992 | S | 79.5 | Confident | 74.6 | Confident | 47 Ų | 47 | 95.5 Ų | 95.5 | 33% | 0.329 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.1 | -17.4 | 171 | -170.8 | 0 | 0 | 0 | 0 | 113.1 | R988 H989 I996 | R988-S992 WeakPolarHBondContact O-CA 3.23Å; R988-S992 WeakPolarHBondContact O-CB 3.3Å; R988-S992 PolarHBondContact O-N 2.98Å; H989-S992 CarbonylContact O-C 3.58Å; S992-I996 WeakPolarHBondContact O-CA 3.5Å; S992-I996 WeakPolarHBondContact O-CB 3.37Å; S992-I996 VanDerWaalsContact O-CD1 3.29Å; S992-I996 WeakPolarHBondContact O-CD1 3.45Å; S992-I996 WeakPolarHBondContact O-CG1 3.24Å; S992-I996 PolarHBondContact O-N 3.42Å; S992-I996 WeakPolarHBondContact OG-CD1 3.41Å |
| 993 | L | 72.7 | Confident | 72.3 | Confident | 74 Ų | 74 | 95.5 Ų | 95.5 | 39% | 0.387 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -88.8 | -26.6 | 171.2 | -81.9 | 170.4 | 0 | 0 | 0 | 110.7 | H989 Q990 E991 S997 | H989-L993 WeakPolarHBondContact NE2-CD1 3.09Å; H989-L993 VanDerWaalsContact O-CA 3.31Å; H989-L993 WeakPolarHBondContact O-CA 3.36Å; H989-L993 WeakPolarHBondContact O-CB 3.44Å; H989-L993 WeakPolarHBondContact O-CD1 3.31Å; H989-L993 WeakPolarHBondContact O-CG 3.44Å; H989-L993 PolarHBondContact O-N 3.16Å; Q990-L993 CarbonylContact O-C 3.49Å; Q990-L993 PolarHBondContact O-N 3.38Å; E991-L993 PolarHBondContact O-N 3.43Å; L993-S997 WeakPolarHBondContact O-CA 3.47Å; L993-S997 WeakPolarHBondContact O-CB 3.36Å; L993-S997 PolarHBondContact O-N 2.93Å; L993-S997 PolarHBondContact O-OG 2.83Å |
| 994 | R | 76.3 | Confident | 70.2 | Confident | 162 Ų | 162 | 97.1 Ų | 97.1 | 61% | 0.611 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -69.8 | -40.5 | 164.5 | -72.6 | 165.6 | -157.3 | 144.6 | 10.9 | 109.7 | Q990 E991 S997 R998 | Q990-R994 WeakPolarHBondContact O-CB 3.1Å; Q990-R994 WeakPolarHBondContact O-CG 3.36Å; Q990-R994 PolarHBondContact O-N 2.92Å; E991-R994 CarbonylContact O-C 3.57Å; E991-R994 PolarHBondContact O-N 2.79Å; R994-S997 CarbonylContact O-C 3.6Å; R994-S997 PolarHBondContact O-N 3.33Å; R994-R998 WeakPolarHBondContact O-CB 3.27Å; R994-R998 PolarHBondContact O-N 3.01Å |
| 995 | E | 78.2 | Confident | 67.5 | Low | 60 Ų | 60 | 100 Ų | 100 | 28% | 0.28 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -77 | -28.2 | 176.8 | 178.2 | 57 | -162.1 | 0 | 0 | 112.6 | E991 R998 K999 | E991-E995 WeakPolarHBondContact O-CB 3.39Å; E991-E995 PolarHBondContact O-N 3.38Å; E995-R998 IonicContact OE1-CZ 3.3Å; E995-R998 IonicContact OE1-NE 2.73Å; E995-R998 IonicContact OE1-NH2 3.97Å; E995-R998 PolarHBondContact OE1-NH2 3.17Å; E995-R998 IonicContact OE2-CZ 3.97Å; E995-R998 IonicContact OE2-NE 3.23Å; E995-R998 PolarHBondContact OE2-NE 3.26Å; E995-R998 IonicContact OE2-NH2 2.89Å; E995-K999 HydrophobicContact CG-CD 4.4Å; E995-K999 WeakPolarHBondContact O-CB 3.43Å; E995-K999 VanDerWaalsContact O-CG 3.27Å; E995-K999 WeakPolarHBondContact O-CG 3.48Å; E995-K999 PolarHBondContact O-N 3.33Å; E995-K999 WeakPolarHBondContact OE1-CD 3.37Å; E995-K999 WeakPolarHBondContact OE1-CE 3.47Å; E995-K999 IonicContact OE1-NZ 2.95Å; E995-K999 PolarHBondContact OE1-NZ 2.94Å |
| 996 | I | 66.9 | Low | 65.1 | Low | 84 Ų | 84 | 102.8 Ų | 102.8 | 43% | 0.431 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -85.1 | -25.8 | 168.8 | -70 | 164.3 | 0 | 0 | 0 | 111 | S992 R998 A1000 | S992-I996 WeakPolarHBondContact O-CA 3.5Å; S992-I996 WeakPolarHBondContact O-CB 3.37Å; S992-I996 VanDerWaalsContact O-CD1 3.29Å; S992-I996 WeakPolarHBondContact O-CD1 3.45Å; S992-I996 WeakPolarHBondContact O-CG1 3.24Å; S992-I996 PolarHBondContact O-N 3.42Å; S992-I996 WeakPolarHBondContact OG-CD1 3.41Å; I996-R998 VanDerWaalsContact C-N 3.34Å; I996-A1000 HydrophobicContact CG2-CB 4.42Å; I996-A1000 VanDerWaalsContact O-CA 3.26Å; I996-A1000 WeakPolarHBondContact O-CA 3.29Å; I996-A1000 WeakPolarHBondContact O-CB 3.17Å; I996-A1000 PolarHBondContact O-N 3.39Å |
| 997 | S | 69.6 | Low | 62.5 | Low | 82 Ų | 82 | 102.2 Ų | 102.2 | 57% | 0.573 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -74.2 | -28.2 | 164.5 | -72.7 | 0 | 0 | 0 | 0 | 111.2 | L993 R994 F1001 | L993-S997 WeakPolarHBondContact O-CA 3.47Å; L993-S997 WeakPolarHBondContact O-CB 3.36Å; L993-S997 PolarHBondContact O-N 2.93Å; L993-S997 PolarHBondContact O-OG 2.83Å; R994-S997 CarbonylContact O-C 3.6Å; R994-S997 PolarHBondContact O-N 3.33Å; S997-F1001 WeakPolarHBondContact O-CB 3.32Å; S997-F1001 PolarHBondContact O-N 3.14Å |
| 998 | R | 66.9 | Low | 59.8 | Low | 105 Ų | 105 | 103.8 Ų | 103.8 | 40% | 0.396 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.7 | -52.5 | 169 | -163.1 | -167 | 69.9 | 61.8 | 19.1 | 109.9 | R994 E995 I996 A1000 F1001 E1002 | R994-R998 WeakPolarHBondContact O-CB 3.27Å; R994-R998 PolarHBondContact O-N 3.01Å; E995-R998 IonicContact OE1-CZ 3.3Å; E995-R998 IonicContact OE1-NE 2.73Å; E995-R998 IonicContact OE1-NH2 3.97Å; E995-R998 PolarHBondContact OE1-NH2 3.17Å; E995-R998 IonicContact OE2-CZ 3.97Å; E995-R998 IonicContact OE2-NE 3.23Å; E995-R998 PolarHBondContact OE2-NE 3.26Å; E995-R998 IonicContact OE2-NH2 2.89Å; I996-R998 VanDerWaalsContact C-N 3.34Å; R998-A1000 PolarHBondContact O-N 2.79Å; R998-F1001 WeakPolarHBondContact O-CB 3.39Å; R998-F1001 PolarHBondContact O-N 2.84Å; R998-F1001 VanDerWaalsContact O-N 3.13Å; R998-E1002 IonicContact CZ-OE1 3.72Å; R998-E1002 IonicContact CZ-OE2 3.78Å; R998-E1002 VanDerWaalsContact CZ-OE2 3.3Å; R998-E1002 IonicContact NH1-OE1 2.72Å; R998-E1002 PolarHBondContact NH1-OE1 3.04Å; R998-E1002 IonicContact NH1-OE2 2.95Å; R998-E1002 PolarHBondContact NH1-OE2 2.64Å; R998-E1002 IonicContact NH2-OE1 2.71Å; R998-E1002 IonicContact NH2-OE2 3.99Å; R998-E1002 PolarHBondContact NH2-OE2 3.05Å; R998-E1002 WeakPolarHBondContact O-CG 3.45Å; R998-E1002 PolarHBondContact O-N 2.85Å |
| 999 | K | 67.4 | Low | 57.5 | Low | 101 Ų | 101 | 104.4 Ų | 104.4 | 44% | 0.439 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.4 | -28.1 | 177.2 | -78 | 176.6 | 164 | 124 | 0 | 113.9 | E995 E1002 M1003 | E995-K999 HydrophobicContact CG-CD 4.4Å; E995-K999 WeakPolarHBondContact O-CB 3.43Å; E995-K999 VanDerWaalsContact O-CG 3.27Å; E995-K999 WeakPolarHBondContact O-CG 3.48Å; E995-K999 PolarHBondContact O-N 3.33Å; E995-K999 WeakPolarHBondContact OE1-CD 3.37Å; E995-K999 WeakPolarHBondContact OE1-CE 3.47Å; E995-K999 IonicContact OE1-NZ 2.95Å; E995-K999 PolarHBondContact OE1-NZ 2.94Å; K999-E1002 WeakPolarHBondContact CA-OE2 3.01Å; K999-E1002 CarbonylContact O-C 3.46Å; K999-E1002 WeakPolarHBondContact O-CB 3.26Å; K999-E1002 PolarHBondContact O-N 3.16Å; K999-M1003 WeakPolarHBondContact O-CA 3.49Å; K999-M1003 WeakPolarHBondContact O-CB 3.32Å; K999-M1003 PolarHBondContact O-N 2.99Å |
| 1000 | A | 46.5 | Very low | 54.9 | Low | 46 Ų | 46 | 102.5 Ų | 102.5 | 38% | 0.38 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -96.5 | 3.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I996 R998 S1004 | I996-A1000 HydrophobicContact CG2-CB 4.42Å; I996-A1000 VanDerWaalsContact O-CA 3.26Å; I996-A1000 WeakPolarHBondContact O-CA 3.29Å; I996-A1000 WeakPolarHBondContact O-CB 3.17Å; I996-A1000 PolarHBondContact O-N 3.39Å; R998-A1000 PolarHBondContact O-N 2.79Å; A1000-S1004 WeakPolarHBondContact O-CA 2.93Å; A1000-S1004 WeakPolarHBondContact O-CB 3.4Å; A1000-S1004 PolarHBondContact O-N 3.2Å |
| 1001 | F | 51.1 | Low | 52.4 | Low | 168 Ų | 168 | 106.2 Ų | 106.2 | 74% | 0.737 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -81.8 | -40.8 | 150.2 | -176.7 | -102.4 | 0 | 0 | 0 | 108.9 | S997 R998 M1003 | S997-F1001 WeakPolarHBondContact O-CB 3.32Å; S997-F1001 PolarHBondContact O-N 3.14Å; R998-F1001 WeakPolarHBondContact O-CB 3.39Å; R998-F1001 PolarHBondContact O-N 2.84Å; R998-F1001 VanDerWaalsContact O-N 3.13Å; F1001-M1003 VanDerWaalsContact C-N 3.3Å; F1001-M1003 PolarHBondContact O-N 3.22Å |
| 1002 | E | 46.7 | Very low | 49.9 | Very low | 95 Ų | 95 | 106.9 Ų | 106.9 | 44% | 0.444 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.4 | -25 | 168.5 | -63.1 | 171.2 | 141.4 | 0 | 0 | 113.6 | R998 K999 I1005 | R998-E1002 IonicContact CZ-OE1 3.72Å; R998-E1002 IonicContact CZ-OE2 3.78Å; R998-E1002 VanDerWaalsContact CZ-OE2 3.3Å; R998-E1002 IonicContact NH1-OE1 2.72Å; R998-E1002 PolarHBondContact NH1-OE1 3.04Å; R998-E1002 IonicContact NH1-OE2 2.95Å; R998-E1002 PolarHBondContact NH1-OE2 2.64Å; R998-E1002 IonicContact NH2-OE1 2.71Å; R998-E1002 IonicContact NH2-OE2 3.99Å; R998-E1002 PolarHBondContact NH2-OE2 3.05Å; R998-E1002 WeakPolarHBondContact O-CG 3.45Å; R998-E1002 PolarHBondContact O-N 2.85Å; K999-E1002 WeakPolarHBondContact CA-OE2 3.01Å; K999-E1002 CarbonylContact O-C 3.46Å; K999-E1002 WeakPolarHBondContact O-CB 3.26Å; K999-E1002 PolarHBondContact O-N 3.16Å; E1002-I1005 WeakPolarHBondContact O-CB 3.28Å |
| 1003 | M | 40 | Very low | 47.5 | Very low | 107 Ų | 107 | 109.5 Ų | 109.5 | 53% | 0.527 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -128.3 | 5 | -170.2 | -153 | 93.6 | 69 | 0 | 0 | 113.3 | K999 F1001 I1005 L1006 T1007 | K999-M1003 WeakPolarHBondContact O-CA 3.49Å; K999-M1003 WeakPolarHBondContact O-CB 3.32Å; K999-M1003 PolarHBondContact O-N 2.99Å; F1001-M1003 VanDerWaalsContact C-N 3.3Å; F1001-M1003 PolarHBondContact O-N 3.22Å; M1003-I1005 PolarHBondContact O-N 2.94Å; M1003-L1006 VanDerWaalsContact C-N 3.34Å; M1003-L1006 HydrophobicContact CG-CB 3.84Å; M1003-L1006 CarbonylContact O-C 3.59Å; M1003-L1006 WeakPolarHBondContact O-CA 3.48Å; M1003-L1006 PolarHBondContact O-N 2.95Å; M1003-L1006 HydrophobicContact SD-CB 3.76Å; M1003-L1006 HydrophobicContact SD-CD1 4.46Å; M1003-T1007 PolarHBondContact O-N 3.08Å; M1003-T1007 VanDerWaalsContact O-N 3.12Å |
| 1004 | S | 43.3 | Very low | 45.3 | Very low | 101 Ų | 101 | 112.1 Ų | 112.1 | 71% | 0.706 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -4 | 147 | -177 | 0 | 0 | 0 | 0 | 110.8 | A1000 L1006 | A1000-S1004 WeakPolarHBondContact O-CA 2.93Å; A1000-S1004 WeakPolarHBondContact O-CB 3.4Å; A1000-S1004 PolarHBondContact O-N 3.2Å; S1004-L1006 VanDerWaalsContact C-N 3.31Å |
| 1005 | I | 28.3 | Very low | 43 | Very low | 129 Ų | 129 | 110.3 Ų | 110.3 | 66% | 0.662 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -18.1 | 159.4 | -49.5 | 177.3 | 0 | 0 | 0 | 110.6 | E1002 M1003 | E1002-I1005 WeakPolarHBondContact O-CB 3.28Å; M1003-I1005 PolarHBondContact O-N 2.94Å |
| 1006 | L | 33.3 | Very low | 40.7 | Very low | 112 Ų | 112 | 114.3 Ų | 114.3 | 59% | 0.586 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -140.2 | 53.9 | -179.1 | -76.9 | 102.1 | 0 | 0 | 0 | 114 | M1003 S1004 | M1003-L1006 VanDerWaalsContact C-N 3.34Å; M1003-L1006 HydrophobicContact CG-CB 3.84Å; M1003-L1006 CarbonylContact O-C 3.59Å; M1003-L1006 WeakPolarHBondContact O-CA 3.48Å; M1003-L1006 PolarHBondContact O-N 2.95Å; M1003-L1006 HydrophobicContact SD-CB 3.76Å; M1003-L1006 HydrophobicContact SD-CD1 4.46Å; S1004-L1006 VanDerWaalsContact C-N 3.31Å |
| 1007 | T | 32.5 | Very low | 39.2 | Very low | 90 Ų | 90 | 116.2 Ų | 116.2 | 55% | 0.552 | 66% | 0.656 | S | S | * | * | 40.6 | 106.2 | 129.3 | 57.3 | 0 | 0 | 0 | 0 | 121.2 | M1003 | M1003-T1007 PolarHBondContact O-N 3.08Å; M1003-T1007 VanDerWaalsContact O-N 3.12Å | |||
| 1008 | H | 31.3 | Very low | 37.5 | Very low | 168 Ų | 168 | 115.9 Ų | 115.9 | 78% | 0.778 | 67% | 0.666 | S | S | * | * | trans | 74.4 | 156.4 | 134.4 | -48 | -49.3 | 0 | 0 | 0 | 122.1 | ||||
| 1009 | T | 30.9 | Very low | 36 | Very low | 145 Ų | 145 | 117.8 Ų | 117.8 | 89% | 0.89 | 68% | 0.682 | S | S | * | * | trans | 65.2 | 138.3 | 169.1 | 71.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 1010 | G | 31.1 | Very low | 34.3 | Very low | 62 Ų | 62 | 121 Ų | 121 | 64% | 0.639 | 70% | 0.699 | S | S | * | * | cis | -179.6 | 148.5 | -9.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1011 | D | 27.9 | Very low | 34.1 | Very low | 169 Ų | 169 | 123.5 Ų | 123.5 | 90% | 0.904 | 71% | 0.711 | S | S | * | * | trans | 76.1 | 171.7 | 149.8 | -54 | 93.4 | 0 | 0 | 0 | 120.3 | ||||
| 1012 | D | 27.7 | Very low | 33.8 | Very low | 137 Ų | 137 | 122.7 Ų | 122.7 | 73% | 0.733 | 70% | 0.704 | S | S | * | * | trans | -142.9 | -154.1 | -151.8 | -159.1 | 30.6 | 0 | 0 | 0 | 110.7 | ||||
| 1013 | S | 29 | Very low | 34 | Very low | 102 Ų | 102 | 124.5 Ų | 124.5 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | cis | -160.6 | -165.5 | 13.7 | -154.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1014 | L | 26.9 | Very low | 34.7 | Very low | 129 Ų | 129 | 122.8 Ų | 122.8 | 68% | 0.675 | 72% | 0.719 | S | S | * | * | trans | -92.8 | 144.4 | -157 | -93.3 | 70.2 | 0 | 0 | 0 | 118 | ||||
| 1015 | T | 28 | Very low | 35.8 | Very low | 124 Ų | 124 | 122.5 Ų | 122.5 | 76% | 0.761 | 71% | 0.707 | S | S | * | * | 47.5 | 150.9 | 128.1 | 71.2 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 1016 | V | 29 | Very low | 38.1 | Very low | 144 Ų | 144 | 118.1 Ų | 118.1 | 87% | 0.873 | 68% | 0.683 | S | S | * | * | trans | -141 | 139.4 | -179.3 | 178.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1017 | P | 35.3 | Very low | 40.3 | Very low | 125 Ų | 125 | 116.3 Ų | 116.3 | 81% | 0.812 | 67% | 0.669 | S | S | * | * | trans | -123.6 | 167.4 | 177 | 40.6 | -28.9 | 0 | 0 | 0 | 116.5 | ||||
| 1018 | G | 34.1 | Very low | 42.9 | Very low | 75 Ų | 75 | 112 Ų | 112 | 77% | 0.773 | 64% | 0.642 | S | S | * | * | trans | 83.3 | 134.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1019 | I | 35.7 | Very low | 45.3 | Very low | 144 Ų | 144 | 110.6 Ų | 110.6 | 74% | 0.738 | 63% | 0.634 | S | S | * | * | trans | -149.6 | 131.3 | 172.4 | -55.5 | -180 | 0 | 0 | 0 | 110.9 | ||||
| 1020 | E | 31.4 | Very low | 47.6 | Very low | 170 Ų | 170 | 105.3 Ų | 105.3 | 79% | 0.794 | 61% | 0.605 | S | S | * | * | trans | -130.4 | 159.7 | 165.6 | -77.9 | -168 | 129.7 | 0 | 0 | 111.7 | ||||
| 1021 | P | 42 | Very low | 49.9 | Very low | 98 Ų | 98 | 103.3 Ų | 103.3 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | trans | -81.5 | 137.9 | -172.4 | -12.9 | 31 | 0 | 0 | 0 | 114.4 | E1038 | P1021-E1038 WeakPolarHBondContact CA-OE1 3.48Å; P1021-E1038 WeakPolarHBondContact CB-OE1 3.4Å | ||
| 1022 | Y | 44.7 | Very low | 52.3 | Low | 151 Ų | 151 | 102.5 Ų | 102.5 | 59% | 0.592 | 57% | 0.572 | S | S | * | * | trans | -72.2 | 134.8 | -177.6 | -62.8 | -77.9 | 0 | 0 | 0 | 114.2 | ||||
| 1023 | P | 51.2 | Low | 54.6 | Low | 132 Ų | 132 | 97.9 Ų | 97.9 | 86% | 0.857 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -80.8 | -13.5 | 174.7 | 31.4 | -34.5 | 0 | 0 | 0 | 114.3 | ||
| 1024 | V | 55.3 | Low | 57 | Low | 71 Ų | 71 | 96.5 Ų | 96.5 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -112.8 | 135.3 | -178.9 | -173.2 | 0 | 0 | 0 | 0 | 110.2 | D1078 | V1024-D1078 WeakPolarHBondContact CB-OD1 3.5Å; V1024-D1078 HydrophobicContact CG1-CB 3.83Å; V1024-D1078 WeakPolarHBondContact CG1-OD1 3.4Å |
| 1025 | Q | 65.9 | Low | 59.3 | Low | 95 Ų | 95 | 90.7 Ų | 90.7 | 44% | 0.444 | 50% | 0.501 | S | S | . | . | trans | -68.7 | 137.2 | 177.9 | -64 | -178.8 | 10.9 | 0 | 0 | 110.3 | M1034 A1079 | Q1025-M1034 PolarHBondContact OE1-SD 3.38Å; Q1025-M1034 VanDerWaalsContact OE1-SD 3.34Å; Q1025-A1079 HydrophobicContact CB-CB 4.39Å; Q1025-A1079 VanDerWaalsContact O-CB 3.3Å; Q1025-A1079 WeakPolarHBondContact O-CB 3.28Å; Q1025-A1079 PolarHBondContact O-N 3.27Å | ||
| 1026 | K | 77.5 | Confident | 61.2 | Low | 37 Ų | 37 | 89.5 Ų | 89.5 | 16% | 0.161 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 145.5 | -176.2 | -62.5 | -61.4 | -175.6 | -178.5 | 0 | 111.4 | I1035 V1077 D1078 | K1026-I1035 HydrophobicContact CB-CB 4.37Å; K1026-I1035 PolarHBondContact N-O 3Å; K1026-I1035 VanDerWaalsContact N-O 3.15Å; K1026-I1035 WeakPolarHBondContact O-CA 3.24Å; K1026-I1035 WeakPolarHBondContact O-CB 3.44Å; K1026-I1035 PolarHBondContact O-N 3.35Å; K1026-V1077 CarbonylContact C-O 3.58Å; K1026-V1077 WeakPolarHBondContact CA-O 3.04Å; K1026-D1078 WeakPolarHBondContact CD-OD1 2.95Å; K1026-D1078 WeakPolarHBondContact CE-OD1 3.37Å; K1026-D1078 IonicContact NZ-OD1 2.74Å; K1026-D1078 PolarHBondContact NZ-OD1 2.89Å; K1026-D1078 IonicContact NZ-OD2 3.21Å; K1026-D1078 PolarHBondContact NZ-OD2 3.03Å |
| 1027 | W | 78.5 | Confident | 63 | Low | 75 Ų | 75 | 85.2 Ų | 85.2 | 28% | 0.284 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 117.7 | 173.1 | 174.2 | -94 | 0 | 0 | 0 | 109.2 | K1029 Q1032 M1034 H1075 V1077 A1079 | W1027-K1029 PolarHBondContact O-N 2.76Å; W1027-Q1032 HydrophobicContact CH2-CB 4.2Å; W1027-Q1032 VanDerWaalsContact CZ2-CA 3.48Å; W1027-Q1032 HydrophobicContact CZ2-CB 3.79Å; W1027-Q1032 HydrophobicContact CZ2-CG 4.28Å; W1027-M1034 HydrophobicContact CE3-CB 3.75Å; W1027-M1034 HydrophobicContact CE3-CG 4.38Å; W1027-M1034 HydrophobicContact CZ3-CB 3.97Å; W1027-H1075 VanDerWaalsContact O-O 3.11Å; W1027-V1077 PolarHBondContact N-O 3.08Å; W1027-V1077 PolarHBondContact O-N 3.04Å; W1027-V1077 VanDerWaalsContact O-N 3.07Å; W1027-A1079 HydrophobicContact CB-CB 4.44Å |
| 1028 | C | 87.3 | Confident | 64.6 | Low | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 104.5 | 171.7 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | A1030 C1031 Q1032 V1033 I1035 H1044 H1075 L1076 | C1028-A1030 VanDerWaalsContact C-N 3.31Å; C1028-A1030 PolarHBondContact O-N 3.12Å; C1028-C1031 HydrophobicContact CB-CB 4.23Å; C1028-C1031 PolarHBondContact O-N 3.29Å; C1028-C1031 PolarHBondContact SG-N 2.92Å; C1028-Q1032 WeakPolarHBondContact O-CA 3.41Å; C1028-Q1032 PolarHBondContact O-N 3.21Å; C1028-V1033 PolarHBondContact N-O 3.42Å; C1028-V1033 PolarHBondContact O-N 3.48Å; C1028-I1035 HydrophobicContact CB-CD1 4.12Å; C1028-H1044 VanDerWaalsContact CB-NE2 3.27Å; C1028-H1044 WeakPolarHBondContact CB-NE2 3.28Å; C1028-H1044 PolarHBondContact SG-NE2 3.42Å; C1028-H1075 CarbonylContact C-O 3.58Å; C1028-H1075 WeakPolarHBondContact CA-O 3.34Å; C1028-L1076 HydrophobicContact CB-CD2 4.2Å |
| 1029 | K | 80.9 | Confident | 66.3 | Low | 138 Ų | 138 | 84.5 Ų | 84.5 | 60% | 0.6 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -35.1 | 179.1 | -168.9 | 173 | -177.9 | 177 | 0 | 113 | W1027 H1075 V1077 | W1027-K1029 PolarHBondContact O-N 2.76Å; K1029-H1075 HydrophobicContact CB-CB 4.48Å; K1029-H1075 PolarHBondContact N-O 2.72Å; K1029-V1077 HydrophobicContact CB-CG2 4.33Å; K1029-V1077 HydrophobicContact CD-CG2 4.42Å |
| 1030 | A | 79 | Confident | 67.9 | Low | 34 Ų | 34 | 81.2 Ų | 81.2 | 28% | 0.281 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -34 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | C1028 A1053 F1071 H1075 | C1028-A1030 VanDerWaalsContact C-N 3.31Å; C1028-A1030 PolarHBondContact O-N 3.12Å; A1030-A1053 HydrophobicContact CB-CB 4.28Å; A1030-F1071 HydrophobicContact CB-CE1 4.12Å; A1030-F1071 HydrophobicContact CB-CZ 3.91Å; A1030-H1075 HydrophobicContact CB-CB 3.93Å |
| 1031 | C | 81.4 | Confident | 70 | Confident | 19 Ų | 19 | 74.4 Ų | 74.4 | 13% | 0.128 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -12.2 | -177.7 | -78.5 | 0 | 0 | 0 | 0 | 114.5 | C1028 V1033 H1044 H1050 | C1028-C1031 HydrophobicContact CB-CB 4.23Å; C1028-C1031 PolarHBondContact O-N 3.29Å; C1028-C1031 PolarHBondContact SG-N 2.92Å; C1031-V1033 HydrophobicContact CB-CB 4.31Å; C1031-V1033 HydrophobicContact CB-CG2 4.02Å; C1031-H1044 WeakPolarHBondContact CB-CE1 3.46Å; C1031-H1044 WeakPolarHBondContact CB-NE2 3.35Å; C1031-H1044 VanDerWaalsContact SG-CE1 3.6Å; C1031-H1050 WeakPolarHBondContact SG-CA 3.47Å; C1031-H1050 PolarHBondContact SG-ND1 3.45Å; C1031-H1050 VanDerWaalsContact SG-ND1 3.44Å |
| 1032 | Q | 77.4 | Confident | 71.4 | Confident | 153 Ų | 153 | 75.9 Ų | 75.9 | 72% | 0.715 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 50.9 | -168.1 | -57.9 | 178.2 | 3.4 | 0 | 0 | 112.1 | W1027 C1028 | W1027-Q1032 HydrophobicContact CH2-CB 4.2Å; W1027-Q1032 VanDerWaalsContact CZ2-CA 3.48Å; W1027-Q1032 HydrophobicContact CZ2-CB 3.79Å; W1027-Q1032 HydrophobicContact CZ2-CG 4.28Å; C1028-Q1032 WeakPolarHBondContact O-CA 3.41Å; C1028-Q1032 PolarHBondContact O-N 3.21Å |
| 1033 | V | 76 | Confident | 72.9 | Confident | 40 Ų | 40 | 72.4 Ų | 72.4 | 24% | 0.242 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 128.7 | -179.3 | 172.5 | 0 | 0 | 0 | 0 | 110.2 | C1028 C1031 I1035 | C1028-V1033 PolarHBondContact N-O 3.42Å; C1028-V1033 PolarHBondContact O-N 3.48Å; C1031-V1033 HydrophobicContact CB-CB 4.31Å; C1031-V1033 HydrophobicContact CB-CG2 4.02Å; V1033-I1035 HydrophobicContact CG1-CG1 4.29Å |
| 1034 | M | 78.5 | Confident | 74.4 | Confident | 73 Ų | 73 | 67.2 Ų | 67.2 | 36% | 0.36 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 138.5 | 171 | -165.9 | -87.6 | -84.3 | 0 | 0 | 110.5 | Q1025 W1027 I1036 | Q1025-M1034 PolarHBondContact OE1-SD 3.38Å; Q1025-M1034 VanDerWaalsContact OE1-SD 3.34Å; W1027-M1034 HydrophobicContact CE3-CB 3.75Å; W1027-M1034 HydrophobicContact CE3-CG 4.38Å; W1027-M1034 HydrophobicContact CZ3-CB 3.97Å; M1034-I1036 HydrophobicContact CE-CD1 4.16Å; M1034-I1036 HydrophobicContact CE-CG1 3.8Å; M1034-I1036 HydrophobicContact SD-CD1 4.39Å; M1034-I1036 HydrophobicContact SD-CG1 3.45Å; M1034-I1036 WeakPolarHBondContact SD-CG1 3.13Å |
| 1035 | I | 75.6 | Confident | 75.6 | Confident | 7 Ų | 7 | 65.8 Ų | 65.8 | 4% | 0.036 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 108.1 | -167.6 | -55.1 | 177.4 | 0 | 0 | 0 | 109 | K1026 C1028 V1033 Q1040 L1041 H1044 L1076 | K1026-I1035 HydrophobicContact CB-CB 4.37Å; K1026-I1035 PolarHBondContact N-O 3Å; K1026-I1035 VanDerWaalsContact N-O 3.15Å; K1026-I1035 WeakPolarHBondContact O-CA 3.24Å; K1026-I1035 WeakPolarHBondContact O-CB 3.44Å; K1026-I1035 PolarHBondContact O-N 3.35Å; C1028-I1035 HydrophobicContact CB-CD1 4.12Å; V1033-I1035 HydrophobicContact CG1-CG1 4.29Å; I1035-Q1040 HydrophobicContact CG2-CB 4Å; I1035-L1041 HydrophobicContact CD1-CD1 3.81Å; I1035-L1041 HydrophobicContact CG2-CB 3.76Å; I1035-L1041 HydrophobicContact CG2-CD1 4.32Å; I1035-H1044 HydrophobicContact CD1-CB 4.22Å; I1035-L1076 HydrophobicContact CD1-CD2 3.81Å |
| 1036 | I | 67.5 | Low | 76.1 | Confident | 98 Ų | 98 | 68.7 Ų | 68.7 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | trans | -90.2 | -11.9 | -169.3 | -44.2 | 163.4 | 0 | 0 | 0 | 111.7 | M1034 Q1040 | M1034-I1036 HydrophobicContact CE-CD1 4.16Å; M1034-I1036 HydrophobicContact CE-CG1 3.8Å; M1034-I1036 HydrophobicContact SD-CD1 4.39Å; M1034-I1036 HydrophobicContact SD-CG1 3.45Å; M1034-I1036 WeakPolarHBondContact SD-CG1 3.13Å; I1036-Q1040 VanDerWaalsContact CB-OE1 3.27Å | ||
| 1037 | S | 66.8 | Low | 76.1 | Confident | 54 Ų | 54 | 68 Ų | 68 | 38% | 0.378 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -160.9 | 160.6 | -176.9 | 58.3 | 0 | 0 | 0 | 0 | 113.6 | V1039 Q1040 L1041 | S1037-V1039 VanDerWaalsContact C-N 3.25Å; S1037-V1039 PolarHBondContact O-N 3.26Å; S1037-Q1040 WeakPolarHBondContact O-CB 3.26Å; S1037-Q1040 PolarHBondContact O-N 3.22Å; S1037-Q1040 VanDerWaalsContact O-N 3.11Å; S1037-Q1040 WeakPolarHBondContact OG-CG 3.22Å; S1037-Q1040 PolarHBondContact OG-N 3.12Å; S1037-L1041 PolarHBondContact O-N 2.97Å |
| 1038 | E | 70.5 | Confident | 76.1 | Confident | 69 Ų | 69 | 72.4 Ų | 72.4 | 32% | 0.322 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -55.9 | -35.3 | 173.7 | -68.8 | -179 | -149.5 | 0 | 0 | 114.3 | P1021 Q1040 L1041 K1042 | P1021-E1038 WeakPolarHBondContact CA-OE1 3.48Å; P1021-E1038 WeakPolarHBondContact CB-OE1 3.4Å; E1038-Q1040 VanDerWaalsContact C-N 3.34Å; E1038-L1041 WeakPolarHBondContact O-CB 3.48Å; E1038-L1041 PolarHBondContact O-N 3.04Å; E1038-K1042 PolarHBondContact O-N 3.21Å |
| 1039 | V | 68.3 | Low | 75.7 | Confident | 116 Ų | 116 | 81.3 Ų | 81.3 | 70% | 0.703 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67.4 | -41.8 | 178.9 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | S1037 S1043 | S1037-V1039 VanDerWaalsContact C-N 3.25Å; S1037-V1039 PolarHBondContact O-N 3.26Å; V1039-S1043 WeakPolarHBondContact O-CB 3.06Å; V1039-S1043 PolarHBondContact O-N 2.95Å; V1039-S1043 PolarHBondContact O-OG 2.96Å |
| 1040 | Q | 69.5 | Low | 75.9 | Confident | 76 Ų | 76 | 74.8 Ų | 74.8 | 36% | 0.355 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 170.9 | -71.7 | 176.7 | -2.3 | 0 | 0 | 110.8 | I1035 I1036 S1037 E1038 K1042 S1043 H1044 | I1035-Q1040 HydrophobicContact CG2-CB 4Å; I1036-Q1040 VanDerWaalsContact CB-OE1 3.27Å; S1037-Q1040 WeakPolarHBondContact O-CB 3.26Å; S1037-Q1040 PolarHBondContact O-N 3.22Å; S1037-Q1040 VanDerWaalsContact O-N 3.11Å; S1037-Q1040 WeakPolarHBondContact OG-CG 3.22Å; S1037-Q1040 PolarHBondContact OG-N 3.12Å; E1038-Q1040 VanDerWaalsContact C-N 3.34Å; Q1040-K1042 PolarHBondContact O-N 3.41Å; Q1040-S1043 WeakPolarHBondContact CA-OG 3.41Å; Q1040-S1043 CarbonylContact O-C 3.32Å; Q1040-S1043 PolarHBondContact O-N 3.46Å; Q1040-S1043 PolarHBondContact O-OG 3.29Å; Q1040-H1044 WeakPolarHBondContact O-CB 3.23Å; Q1040-H1044 PolarHBondContact O-N 3.14Å |
| 1041 | L | 77 | Confident | 76 | Confident | 27 Ų | 27 | 77.3 Ų | 77.3 | 14% | 0.141 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.3 | -52.2 | 177.7 | -177.1 | 59 | 0 | 0 | 0 | 112.4 | I1035 S1037 E1038 S1043 H1044 L1045 L1076 | I1035-L1041 HydrophobicContact CD1-CD1 3.81Å; I1035-L1041 HydrophobicContact CG2-CB 3.76Å; I1035-L1041 HydrophobicContact CG2-CD1 4.32Å; S1037-L1041 PolarHBondContact O-N 2.97Å; E1038-L1041 WeakPolarHBondContact O-CB 3.48Å; E1038-L1041 PolarHBondContact O-N 3.04Å; L1041-S1043 VanDerWaalsContact C-N 3.34Å; L1041-S1043 PolarHBondContact O-N 3.4Å; L1041-H1044 WeakPolarHBondContact O-CB 3.49Å; L1041-H1044 PolarHBondContact O-N 3.16Å; L1041-H1044 VanDerWaalsContact O-N 3.14Å; L1041-L1045 HydrophobicContact CD1-CD1 4.07Å; L1041-L1045 HydrophobicContact CD1-CG 4.22Å; L1041-L1045 HydrophobicContact CG-CD1 4.16Å; L1041-L1045 WeakPolarHBondContact O-CG 3.32Å; L1041-L1045 PolarHBondContact O-N 3.11Å; L1041-L1076 HydrophobicContact CD1-CD1 3.77Å; L1041-L1076 HydrophobicContact CD1-CD2 3.52Å; L1041-L1076 HydrophobicContact CD1-CG 4.32Å |
| 1042 | K | 71.6 | Confident | 75.8 | Confident | 129 Ų | 129 | 80.8 Ų | 80.8 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62 | -40.5 | 177.3 | -77 | 169.9 | 176.3 | 158 | 0 | 111.8 | E1038 Q1040 H1044 H1046 | E1038-K1042 PolarHBondContact O-N 3.21Å; Q1040-K1042 PolarHBondContact O-N 3.41Å; K1042-H1044 VanDerWaalsContact C-N 3.3Å; K1042-H1044 PolarHBondContact O-N 3.24Å; K1042-H1046 PolarHBondContact O-N 2.84Å |
| 1043 | S | 74.4 | Confident | 76.1 | Confident | 77 Ų | 77 | 74.3 Ų | 74.3 | 54% | 0.538 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.1 | -28.7 | 175.4 | 78.8 | 0 | 0 | 0 | 0 | 113.6 | V1039 Q1040 L1041 G1047 | V1039-S1043 WeakPolarHBondContact O-CB 3.06Å; V1039-S1043 PolarHBondContact O-N 2.95Å; V1039-S1043 PolarHBondContact O-OG 2.96Å; Q1040-S1043 WeakPolarHBondContact CA-OG 3.41Å; Q1040-S1043 CarbonylContact O-C 3.32Å; Q1040-S1043 PolarHBondContact O-N 3.46Å; Q1040-S1043 PolarHBondContact O-OG 3.29Å; L1041-S1043 VanDerWaalsContact C-N 3.34Å; L1041-S1043 PolarHBondContact O-N 3.4Å; S1043-G1047 PolarHBondContact O-N 3.34Å |
| 1044 | H | 84.4 | Confident | 76.3 | Confident | 23 Ų | 23 | 73.3 Ų | 73.3 | 11% | 0.106 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -75 | -49.4 | 179.9 | -179.2 | 72.8 | 0 | 0 | 0 | 111.1 | C1028 C1031 I1035 Q1040 L1041 K1042 H1046 G1047 H1050 | C1028-H1044 VanDerWaalsContact CB-NE2 3.27Å; C1028-H1044 WeakPolarHBondContact CB-NE2 3.28Å; C1028-H1044 PolarHBondContact SG-NE2 3.42Å; C1031-H1044 WeakPolarHBondContact CB-CE1 3.46Å; C1031-H1044 WeakPolarHBondContact CB-NE2 3.35Å; C1031-H1044 VanDerWaalsContact SG-CE1 3.6Å; I1035-H1044 HydrophobicContact CD1-CB 4.22Å; Q1040-H1044 WeakPolarHBondContact O-CB 3.23Å; Q1040-H1044 PolarHBondContact O-N 3.14Å; L1041-H1044 WeakPolarHBondContact O-CB 3.49Å; L1041-H1044 PolarHBondContact O-N 3.16Å; L1041-H1044 VanDerWaalsContact O-N 3.14Å; K1042-H1044 VanDerWaalsContact C-N 3.3Å; K1042-H1044 PolarHBondContact O-N 3.24Å; H1044-H1046 VanDerWaalsContact C-N 3.29Å; H1044-H1046 PolarHBondContact O-N 3.06Å; H1044-G1047 WeakPolarHBondContact O-CA 3.44Å; H1044-G1047 PolarHBondContact O-N 3.29Å; H1044-H1050 AromaticContact NE2-ND1 3.72Å; H1044-H1050 VanDerWaalsContact O-CB 3.29Å; H1044-H1050 WeakPolarHBondContact O-CB 3.45Å |
| 1045 | L | 80 | Confident | 76.1 | Confident | 41 Ų | 41 | 74.1 Ų | 74.1 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.8 | -32.5 | 178.8 | -65.2 | 174.1 | 0 | 0 | 0 | 112.6 | L1041 G1047 H1050 N1072 L1076 | L1041-L1045 HydrophobicContact CD1-CD1 4.07Å; L1041-L1045 HydrophobicContact CD1-CG 4.22Å; L1041-L1045 HydrophobicContact CG-CD1 4.16Å; L1041-L1045 WeakPolarHBondContact O-CG 3.32Å; L1041-L1045 PolarHBondContact O-N 3.11Å; L1045-G1047 VanDerWaalsContact C-N 3.32Å; L1045-H1050 WeakPolarHBondContact CD2-NE2 3.38Å; L1045-N1072 HydrophobicContact CD2-CB 4.21Å; L1045-L1076 HydrophobicContact CD2-CD1 4.38Å |
| 1046 | H | 75.9 | Confident | 76.2 | Confident | 156 Ų | 156 | 81.2 Ų | 81.2 | 72% | 0.722 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -2.6 | 169.9 | -89.2 | 70 | 0 | 0 | 0 | 114.2 | K1042 H1044 | K1042-H1046 PolarHBondContact O-N 2.84Å; H1044-H1046 VanDerWaalsContact C-N 3.29Å; H1044-H1046 PolarHBondContact O-N 3.06Å |
| 1047 | G | 78.1 | Confident | 76.7 | Confident | 24 Ų | 24 | 79.5 Ų | 79.5 | 25% | 0.247 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -78.1 | 140 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1043 H1044 L1045 R1049 H1050 Q1051 | S1043-G1047 PolarHBondContact O-N 3.34Å; H1044-G1047 WeakPolarHBondContact O-CA 3.44Å; H1044-G1047 PolarHBondContact O-N 3.29Å; L1045-G1047 VanDerWaalsContact C-N 3.32Å; G1047-R1049 PolarHBondContact O-N 3.05Å; G1047-H1050 PolarHBondContact O-N 3.46Å; G1047-Q1051 PolarHBondContact O-N 3.37Å; G1047-Q1051 VanDerWaalsContact O-N 3.11Å |
| 1048 | K | 79.4 | Confident | 77.2 | Confident | 166 Ų | 166 | 78.1 Ų | 78.1 | 72% | 0.722 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -53.3 | -30.1 | 179.6 | -77 | -166.6 | 172.2 | -168.7 | 0 | 114.7 | N1052 | K1048-N1052 VanDerWaalsContact O-CB 3.31Å; K1048-N1052 WeakPolarHBondContact O-CB 3.26Å; K1048-N1052 PolarHBondContact O-N 3.12Å; K1048-N1052 PolarHBondContact O-OD1 2.83Å; K1048-N1052 VanDerWaalsContact O-OD1 3.06Å |
| 1049 | R | 77.8 | Confident | 77.5 | Confident | 188 Ų | 188 | 83 Ų | 83 | 71% | 0.709 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.5 | -45.9 | 173.8 | -84.8 | -171.6 | 176.1 | 177.2 | -2.9 | 112 | G1047 N1052 A1053 | G1047-R1049 PolarHBondContact O-N 3.05Å; R1049-N1052 PolarHBondContact O-N 3.26Å; R1049-A1053 PolarHBondContact O-N 3.29Å |
| 1050 | H | 84.7 | Confident | 77.5 | Confident | 0 Ų | 0 | 83.6 Ų | 83.6 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -70.2 | -43.1 | -178.9 | -162.9 | 72.6 | 0 | 0 | 0 | 111.1 | C1031 H1044 L1045 G1047 N1052 A1053 I1054 N1072 | C1031-H1050 WeakPolarHBondContact SG-CA 3.47Å; C1031-H1050 PolarHBondContact SG-ND1 3.45Å; C1031-H1050 VanDerWaalsContact SG-ND1 3.44Å; H1044-H1050 AromaticContact NE2-ND1 3.72Å; H1044-H1050 VanDerWaalsContact O-CB 3.29Å; H1044-H1050 WeakPolarHBondContact O-CB 3.45Å; L1045-H1050 WeakPolarHBondContact CD2-NE2 3.38Å; G1047-H1050 PolarHBondContact O-N 3.46Å; H1050-N1052 VanDerWaalsContact C-N 3.3Å; H1050-N1052 PolarHBondContact O-N 2.98Å; H1050-A1053 PolarHBondContact O-N 2.96Å; H1050-I1054 VanDerWaalsContact CD2-CD1 3.5Å; H1050-I1054 WeakPolarHBondContact CD2-CD1 3.39Å; H1050-I1054 WeakPolarHBondContact O-CD1 3.46Å; H1050-I1054 VanDerWaalsContact O-CG1 3.3Å; H1050-I1054 WeakPolarHBondContact O-CG1 3.41Å; H1050-I1054 PolarHBondContact O-N 2.75Å; H1050-N1072 PolarHBondContact NE2-OD1 3.16Å |
| 1051 | Q | 80.7 | Confident | 77.9 | Confident | 88 Ų | 88 | 88.2 Ų | 88.2 | 41% | 0.411 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.6 | -38.3 | 172.7 | -65.8 | 177.1 | -27.5 | 0 | 0 | 112.8 | G1047 M1055 | G1047-Q1051 PolarHBondContact O-N 3.37Å; G1047-Q1051 VanDerWaalsContact O-N 3.11Å; Q1051-M1055 WeakPolarHBondContact O-CB 3.46Å; Q1051-M1055 PolarHBondContact O-N 2.84Å; Q1051-M1055 VanDerWaalsContact O-N 3.12Å |
| 1052 | N | 78.7 | Confident | 77.5 | Confident | 92 Ų | 92 | 92.6 Ų | 92.6 | 49% | 0.492 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.2 | -44.2 | 174 | -74.8 | 16.8 | 0 | 0 | 0 | 111.9 | K1048 R1049 H1050 I1054 M1055 E1056 | K1048-N1052 VanDerWaalsContact O-CB 3.31Å; K1048-N1052 WeakPolarHBondContact O-CB 3.26Å; K1048-N1052 PolarHBondContact O-N 3.12Å; K1048-N1052 PolarHBondContact O-OD1 2.83Å; K1048-N1052 VanDerWaalsContact O-OD1 3.06Å; R1049-N1052 PolarHBondContact O-N 3.26Å; H1050-N1052 VanDerWaalsContact C-N 3.3Å; H1050-N1052 PolarHBondContact O-N 2.98Å; N1052-I1054 VanDerWaalsContact C-N 3.3Å; N1052-I1054 PolarHBondContact O-N 3.27Å; N1052-M1055 WeakPolarHBondContact O-CB 3.3Å; N1052-M1055 PolarHBondContact O-N 2.7Å; N1052-M1055 VanDerWaalsContact O-N 3.09Å; N1052-E1056 WeakPolarHBondContact O-CB 3.24Å; N1052-E1056 PolarHBondContact O-N 2.98Å |
| 1053 | A | 82.5 | Confident | 77.5 | Confident | 16 Ų | 16 | 88.8 Ų | 88.8 | 13% | 0.132 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -61.6 | -37.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1030 R1049 H1050 A1057 F1071 | A1030-A1053 HydrophobicContact CB-CB 4.28Å; R1049-A1053 PolarHBondContact O-N 3.29Å; H1050-A1053 PolarHBondContact O-N 2.96Å; A1053-A1057 WeakPolarHBondContact O-CB 3.23Å; A1053-A1057 PolarHBondContact O-N 3.33Å; A1053-F1071 HydrophobicContact CB-CZ 4.47Å |
| 1054 | I | 80.3 | Confident | 77.7 | Confident | 19 Ų | 19 | 86.7 Ų | 86.7 | 10% | 0.097 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -60.3 | -49.7 | 170.2 | -67.3 | 155.1 | 0 | 0 | 0 | 110.7 | H1050 N1052 E1056 A1057 A1058 V1063 L1068 F1071 | H1050-I1054 VanDerWaalsContact CD2-CD1 3.5Å; H1050-I1054 WeakPolarHBondContact CD2-CD1 3.39Å; H1050-I1054 WeakPolarHBondContact O-CD1 3.46Å; H1050-I1054 VanDerWaalsContact O-CG1 3.3Å; H1050-I1054 WeakPolarHBondContact O-CG1 3.41Å; H1050-I1054 PolarHBondContact O-N 2.75Å; N1052-I1054 VanDerWaalsContact C-N 3.3Å; N1052-I1054 PolarHBondContact O-N 3.27Å; I1054-E1056 VanDerWaalsContact C-N 3.33Å; I1054-E1056 PolarHBondContact O-N 3.11Å; I1054-A1057 PolarHBondContact O-N 2.94Å; I1054-A1058 VanDerWaalsContact O-CB 3.23Å; I1054-A1058 WeakPolarHBondContact O-CB 3.38Å; I1054-A1058 PolarHBondContact O-N 3.36Å; I1054-V1063 HydrophobicContact CG2-CB 4.39Å; I1054-V1063 HydrophobicContact CG2-CG1 4.45Å; I1054-V1063 HydrophobicContact CG2-CG2 3.92Å; I1054-L1068 HydrophobicContact CD1-CD1 3.33Å; I1054-L1068 HydrophobicContact CG1-CD1 4.02Å; I1054-L1068 HydrophobicContact CG2-CD1 4.18Å; I1054-F1071 HydrophobicContact CB-CD1 4.45Å; I1054-F1071 HydrophobicContact CB-CE1 4.28Å; I1054-F1071 HydrophobicContact CD1-CD1 4.45Å; I1054-F1071 HydrophobicContact CG1-CD1 3.44Å; I1054-F1071 VanDerWaalsContact CG1-CD1 3.44Å; I1054-F1071 HydrophobicContact CG1-CE1 3.41Å; I1054-F1071 VanDerWaalsContact CG1-CE1 3.41Å; I1054-F1071 HydrophobicContact CG1-CG 4.33Å; I1054-F1071 HydrophobicContact CG1-CZ 4.28Å |
| 1055 | M | 75.3 | Confident | 77.1 | Confident | 91 Ų | 91 | 94.7 Ų | 94.7 | 45% | 0.448 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.5 | -36.6 | -177.2 | -167.5 | -173 | -46.2 | 0 | 0 | 112.6 | Q1051 N1052 Q1059 N1060 | Q1051-M1055 WeakPolarHBondContact O-CB 3.46Å; Q1051-M1055 PolarHBondContact O-N 2.84Å; Q1051-M1055 VanDerWaalsContact O-N 3.12Å; N1052-M1055 WeakPolarHBondContact O-CB 3.3Å; N1052-M1055 PolarHBondContact O-N 2.7Å; N1052-M1055 VanDerWaalsContact O-N 3.09Å; M1055-Q1059 PolarHBondContact O-N 2.71Å; M1055-N1060 PolarHBondContact O-N 3.1Å |
| 1056 | E | 78.2 | Confident | 76.7 | Confident | 155 Ų | 155 | 97.1 Ų | 97.1 | 72% | 0.724 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.7 | -49.6 | 176.7 | -175.8 | 169.5 | -166.5 | 0 | 0 | 111.4 | N1052 I1054 A1058 Q1059 | N1052-E1056 WeakPolarHBondContact O-CB 3.24Å; N1052-E1056 PolarHBondContact O-N 2.98Å; I1054-E1056 VanDerWaalsContact C-N 3.33Å; I1054-E1056 PolarHBondContact O-N 3.11Å; E1056-A1058 PolarHBondContact O-N 3.17Å; E1056-Q1059 PolarHBondContact O-N 3.18Å |
| 1057 | A | 77.9 | Confident | 76.8 | Confident | 63 Ų | 63 | 94.1 Ų | 94.1 | 52% | 0.521 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.7 | -31.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1053 I1054 Q1059 F1071 | A1053-A1057 WeakPolarHBondContact O-CB 3.23Å; A1053-A1057 PolarHBondContact O-N 3.33Å; I1054-A1057 PolarHBondContact O-N 2.94Å; A1057-Q1059 VanDerWaalsContact C-N 3.32Å; A1057-F1071 HydrophobicContact CB-CD2 4.22Å; A1057-F1071 HydrophobicContact CB-CE2 3.42Å; A1057-F1071 VanDerWaalsContact CB-CE2 3.42Å; A1057-F1071 HydrophobicContact CB-CZ 4.1Å |
| 1058 | A | 76.3 | Confident | 76.6 | Confident | 25 Ų | 25 | 95.9 Ų | 95.9 | 21% | 0.207 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 2.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | I1054 E1056 N1060 R1061 V1063 | I1054-A1058 VanDerWaalsContact O-CB 3.23Å; I1054-A1058 WeakPolarHBondContact O-CB 3.38Å; I1054-A1058 PolarHBondContact O-N 3.36Å; E1056-A1058 PolarHBondContact O-N 3.17Å; A1058-N1060 PolarHBondContact O-N 2.78Å; A1058-R1061 WeakPolarHBondContact O-CB 3.42Å; A1058-R1061 PolarHBondContact O-N 2.85Å; A1058-V1063 HydrophobicContact CB-CG2 3.24Å |
| 1059 | Q | 77.6 | Confident | 76.3 | Confident | 172 Ų | 172 | 92.2 Ų | 92.2 | 80% | 0.804 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 35.8 | -177.8 | -53.8 | -179.4 | 1.3 | 0 | 0 | 113.2 | M1055 E1056 A1057 R1061 | M1055-Q1059 PolarHBondContact O-N 2.71Å; E1056-Q1059 PolarHBondContact O-N 3.18Å; A1057-Q1059 VanDerWaalsContact C-N 3.32Å; Q1059-R1061 PolarHBondContact O-N 3.4Å |
| 1060 | N | 67.4 | Low | 76.4 | Confident | 127 Ų | 127 | 86 Ų | 86 | 68% | 0.679 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 9.3 | -173.3 | -49.2 | -86.9 | 0 | 0 | 0 | 115.9 | M1055 A1058 | M1055-N1060 PolarHBondContact O-N 3.1Å; A1058-N1060 PolarHBondContact O-N 2.78Å |
| 1061 | R | 77.6 | Confident | 76.2 | Confident | 173 Ų | 173 | 87.5 Ų | 87.5 | 65% | 0.653 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 141.5 | 168.8 | -174.4 | 180 | 171 | -165.1 | -6.7 | 110.1 | A1058 Q1059 V1063 | A1058-R1061 WeakPolarHBondContact O-CB 3.42Å; A1058-R1061 PolarHBondContact O-N 2.85Å; Q1059-R1061 PolarHBondContact O-N 3.4Å; R1061-V1063 PolarHBondContact O-N 2.85Å |
| 1062 | P | 68.7 | Low | 76.3 | Confident | 120 Ų | 120 | 84.5 Ų | 84.5 | 78% | 0.779 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 117.8 | 168.8 | -22.7 | 34.1 | 0 | 0 | 0 | 110.9 | ||
| 1063 | V | 71.8 | Confident | 76 | Confident | 49 Ų | 49 | 86.4 Ų | 86.4 | 30% | 0.297 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 130.4 | -176.9 | -175.2 | 0 | 0 | 0 | 0 | 110.3 | I1054 A1058 R1061 E1067 L1068 | I1054-V1063 HydrophobicContact CG2-CB 4.39Å; I1054-V1063 HydrophobicContact CG2-CG1 4.45Å; I1054-V1063 HydrophobicContact CG2-CG2 3.92Å; A1058-V1063 HydrophobicContact CB-CG2 3.24Å; R1061-V1063 PolarHBondContact O-N 2.85Å; V1063-E1067 HydrophobicContact CG1-CB 3.52Å; V1063-L1068 HydrophobicContact CG1-CB 4.07Å |
| 1064 | G | 78.9 | Confident | 75.8 | Confident | 33 Ų | 33 | 89.3 Ų | 89.3 | 34% | 0.34 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -68 | 156 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1066 E1067 L1068 | G1064-S1066 VanDerWaalsContact C-N 3.26Å; G1064-S1066 PolarHBondContact O-N 2.79Å; G1064-E1067 PolarHBondContact N-OE2 3.36Å; G1064-E1067 PolarHBondContact O-N 2.77Å; G1064-E1067 VanDerWaalsContact O-N 3.13Å; G1064-L1068 WeakPolarHBondContact O-CB 3.5Å; G1064-L1068 PolarHBondContact O-N 3.23Å |
| 1065 | R | 71.6 | Confident | 75.7 | Confident | 190 Ų | 190 | 90.8 Ų | 90.8 | 72% | 0.717 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -55 | -42.2 | -179.3 | -163.2 | -172.7 | -145.3 | -97.3 | 13.8 | 112.5 | L1068 E1069 | R1065-L1068 WeakPolarHBondContact O-CB 3.29Å; R1065-L1068 PolarHBondContact O-N 3.12Å; R1065-E1069 IonicContact CZ-OE1 3.62Å; R1065-E1069 IonicContact NH1-OE1 2.82Å; R1065-E1069 PolarHBondContact NH1-OE1 2.95Å; R1065-E1069 PolarHBondContact O-N 2.81Å |
| 1066 | S | 72.3 | Confident | 75.8 | Confident | 93 Ų | 93 | 88 Ų | 88 | 65% | 0.65 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -71.3 | -37.4 | 179.1 | -37.4 | 0 | 0 | 0 | 0 | 112.8 | G1064 L1068 E1069 A1070 | G1064-S1066 VanDerWaalsContact C-N 3.26Å; G1064-S1066 PolarHBondContact O-N 2.79Å; S1066-L1068 VanDerWaalsContact C-N 3.34Å; S1066-E1069 PolarHBondContact O-N 2.65Å; S1066-A1070 VanDerWaalsContact O-CB 3.3Å; S1066-A1070 WeakPolarHBondContact O-CB 3.4Å; S1066-A1070 PolarHBondContact O-N 3.08Å |
| 1067 | E | 77.3 | Confident | 75.7 | Confident | 92 Ų | 92 | 84 Ų | 84 | 43% | 0.43 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 173.4 | -66.7 | 175.6 | 139.6 | 0 | 0 | 110.7 | V1063 G1064 A1070 F1071 | V1063-E1067 HydrophobicContact CG1-CB 3.52Å; G1064-E1067 PolarHBondContact N-OE2 3.36Å; G1064-E1067 PolarHBondContact O-N 2.77Å; G1064-E1067 VanDerWaalsContact O-N 3.13Å; E1067-A1070 PolarHBondContact O-N 3.45Å; E1067-F1071 WeakPolarHBondContact O-CB 3.07Å; E1067-F1071 PolarHBondContact O-N 3.17Å |
| 1068 | L | 73.9 | Confident | 75.7 | Confident | 61 Ų | 61 | 84.3 Ų | 84.3 | 32% | 0.319 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 175.8 | 170.9 | 61.7 | 0 | 0 | 0 | 111.9 | I1054 V1063 G1064 R1065 S1066 F1071 N1072 | I1054-L1068 HydrophobicContact CD1-CD1 3.33Å; I1054-L1068 HydrophobicContact CG1-CD1 4.02Å; I1054-L1068 HydrophobicContact CG2-CD1 4.18Å; V1063-L1068 HydrophobicContact CG1-CB 4.07Å; G1064-L1068 WeakPolarHBondContact O-CB 3.5Å; G1064-L1068 PolarHBondContact O-N 3.23Å; R1065-L1068 WeakPolarHBondContact O-CB 3.29Å; R1065-L1068 PolarHBondContact O-N 3.12Å; S1066-L1068 VanDerWaalsContact C-N 3.34Å; L1068-F1071 PolarHBondContact O-N 3.36Å; L1068-N1072 WeakPolarHBondContact O-CB 3.34Å; L1068-N1072 PolarHBondContact O-N 3.17Å; L1068-N1072 PolarHBondContact O-ND2 3.1Å; L1068-N1072 VanDerWaalsContact O-ND2 3.08Å; L1068-N1072 PolarHBondContact O-OD1 2.84Å |
| 1069 | E | 73.7 | Confident | 75.3 | Confident | 90 Ų | 90 | 84.4 Ų | 84.4 | 42% | 0.421 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 176.5 | -75.8 | 168.1 | -171.7 | 0 | 0 | 111.3 | R1065 S1066 N1072 L1073 | R1065-E1069 IonicContact CZ-OE1 3.62Å; R1065-E1069 IonicContact NH1-OE1 2.82Å; R1065-E1069 PolarHBondContact NH1-OE1 2.95Å; R1065-E1069 PolarHBondContact O-N 2.81Å; S1066-E1069 PolarHBondContact O-N 2.65Å; E1069-N1072 PolarHBondContact O-N 2.89Å; E1069-L1073 VanDerWaalsContact O-CG 3.3Å; E1069-L1073 WeakPolarHBondContact O-CG 3.32Å; E1069-L1073 PolarHBondContact O-N 2.74Å |
| 1070 | A | 78.6 | Confident | 74.7 | Confident | 58 Ų | 58 | 81.1 Ų | 81.1 | 48% | 0.479 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1066 E1067 L1073 S1074 | S1066-A1070 VanDerWaalsContact O-CB 3.3Å; S1066-A1070 WeakPolarHBondContact O-CB 3.4Å; S1066-A1070 PolarHBondContact O-N 3.08Å; E1067-A1070 PolarHBondContact O-N 3.45Å; A1070-L1073 PolarHBondContact O-N 2.65Å; A1070-S1074 WeakPolarHBondContact O-CB 3.46Å; A1070-S1074 PolarHBondContact O-N 2.91Å; A1070-S1074 PolarHBondContact O-OG 2.86Å |
| 1071 | F | 82.1 | Confident | 74.1 | Confident | 30 Ų | 30 | 82.9 Ų | 82.9 | 13% | 0.132 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 174.7 | -178.5 | -87.5 | 0 | 0 | 0 | 112.1 | A1030 A1053 I1054 A1057 E1067 L1068 S1074 H1075 | A1030-F1071 HydrophobicContact CB-CE1 4.12Å; A1030-F1071 HydrophobicContact CB-CZ 3.91Å; A1053-F1071 HydrophobicContact CB-CZ 4.47Å; I1054-F1071 HydrophobicContact CB-CD1 4.45Å; I1054-F1071 HydrophobicContact CB-CE1 4.28Å; I1054-F1071 HydrophobicContact CD1-CD1 4.45Å; I1054-F1071 HydrophobicContact CG1-CD1 3.44Å; I1054-F1071 VanDerWaalsContact CG1-CD1 3.44Å; I1054-F1071 HydrophobicContact CG1-CE1 3.41Å; I1054-F1071 VanDerWaalsContact CG1-CE1 3.41Å; I1054-F1071 HydrophobicContact CG1-CG 4.33Å; I1054-F1071 HydrophobicContact CG1-CZ 4.28Å; A1057-F1071 HydrophobicContact CB-CD2 4.22Å; A1057-F1071 HydrophobicContact CB-CE2 3.42Å; A1057-F1071 VanDerWaalsContact CB-CE2 3.42Å; A1057-F1071 HydrophobicContact CB-CZ 4.1Å; E1067-F1071 WeakPolarHBondContact O-CB 3.07Å; E1067-F1071 PolarHBondContact O-N 3.17Å; L1068-F1071 PolarHBondContact O-N 3.36Å; F1071-S1074 PolarHBondContact O-OG 3.24Å; F1071-H1075 AromaticContact CD1-CD2 3.91Å; F1071-H1075 AromaticContact CD2-CD2 3.61Å; F1071-H1075 AromaticContact CD2-NE2 3.66Å; F1071-H1075 AromaticContact CE1-CD2 3.69Å; F1071-H1075 AromaticContact CE2-CD2 3.37Å; F1071-H1075 WeakPolarHBondContact CE2-CD2 3.48Å; F1071-H1075 AromaticContact CE2-NE2 3.26Å; F1071-H1075 VanDerWaalsContact CE2-NE2 3.26Å; F1071-H1075 WeakPolarHBondContact CE2-NE2 3.39Å; F1071-H1075 AromaticContact CG-CD2 3.89Å; F1071-H1075 AromaticContact CZ-CD2 3.43Å; F1071-H1075 VanDerWaalsContact CZ-CD2 3.43Å; F1071-H1075 WeakPolarHBondContact CZ-CD2 3.33Å; F1071-H1075 AromaticContact CZ-NE2 3.7Å; F1071-H1075 PolarHBondContact O-CD2 3.19Å; F1071-H1075 VanDerWaalsContact O-CD2 3.25Å; F1071-H1075 PolarHBondContact O-N 3.28Å |
| 1072 | N | 82 | Confident | 72.5 | Confident | 25 Ų | 25 | 80.5 Ų | 80.5 | 13% | 0.134 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 176.2 | -65.9 | -26.4 | 0 | 0 | 0 | 110.9 | L1045 H1050 L1068 E1069 L1076 | L1045-N1072 HydrophobicContact CD2-CB 4.21Å; H1050-N1072 PolarHBondContact NE2-OD1 3.16Å; L1068-N1072 WeakPolarHBondContact O-CB 3.34Å; L1068-N1072 PolarHBondContact O-N 3.17Å; L1068-N1072 PolarHBondContact O-ND2 3.1Å; L1068-N1072 VanDerWaalsContact O-ND2 3.08Å; L1068-N1072 PolarHBondContact O-OD1 2.84Å; E1069-N1072 PolarHBondContact O-N 2.89Å; N1072-L1076 WeakPolarHBondContact O-CB 3.39Å; N1072-L1076 WeakPolarHBondContact O-CD1 3.31Å; N1072-L1076 WeakPolarHBondContact O-CG 3.48Å; N1072-L1076 PolarHBondContact O-N 3.35Å |
| 1073 | L | 73.2 | Confident | 71.6 | Confident | 132 Ų | 132 | 80.9 Ų | 80.9 | 69% | 0.691 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -68.5 | -43.4 | -178.9 | -69.7 | 167.7 | 0 | 0 | 0 | 112.6 | E1069 A1070 H1075 L1076 | E1069-L1073 VanDerWaalsContact O-CG 3.3Å; E1069-L1073 WeakPolarHBondContact O-CG 3.32Å; E1069-L1073 PolarHBondContact O-N 2.74Å; A1070-L1073 PolarHBondContact O-N 2.65Å; L1073-H1075 PolarHBondContact O-N 3.27Å; L1073-L1076 PolarHBondContact O-N 3.48Å |
| 1074 | S | 77.4 | Confident | 70.3 | Confident | 78 Ų | 78 | 84.3 Ų | 84.3 | 55% | 0.545 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.4 | -19.5 | -178.4 | 69.2 | 0 | 0 | 0 | 0 | 114.1 | A1070 F1071 | A1070-S1074 WeakPolarHBondContact O-CB 3.46Å; A1070-S1074 PolarHBondContact O-N 2.91Å; A1070-S1074 PolarHBondContact O-OG 2.86Å; F1071-S1074 PolarHBondContact O-OG 3.24Å |
| 1075 | H | 77.7 | Confident | 68.7 | Low | 49 Ų | 49 | 90.6 Ų | 90.6 | 23% | 0.227 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -103.8 | -8.6 | 178.9 | -69.1 | -47.2 | 0 | 0 | 0 | 114.9 | W1027 C1028 K1029 A1030 F1071 L1073 V1077 | W1027-H1075 VanDerWaalsContact O-O 3.11Å; C1028-H1075 CarbonylContact C-O 3.58Å; C1028-H1075 WeakPolarHBondContact CA-O 3.34Å; K1029-H1075 HydrophobicContact CB-CB 4.48Å; K1029-H1075 PolarHBondContact N-O 2.72Å; A1030-H1075 HydrophobicContact CB-CB 3.93Å; F1071-H1075 AromaticContact CD1-CD2 3.91Å; F1071-H1075 AromaticContact CD2-CD2 3.61Å; F1071-H1075 AromaticContact CD2-NE2 3.66Å; F1071-H1075 AromaticContact CE1-CD2 3.69Å; F1071-H1075 AromaticContact CE2-CD2 3.37Å; F1071-H1075 WeakPolarHBondContact CE2-CD2 3.48Å; F1071-H1075 AromaticContact CE2-NE2 3.26Å; F1071-H1075 VanDerWaalsContact CE2-NE2 3.26Å; F1071-H1075 WeakPolarHBondContact CE2-NE2 3.39Å; F1071-H1075 AromaticContact CG-CD2 3.89Å; F1071-H1075 AromaticContact CZ-CD2 3.43Å; F1071-H1075 VanDerWaalsContact CZ-CD2 3.43Å; F1071-H1075 WeakPolarHBondContact CZ-CD2 3.33Å; F1071-H1075 AromaticContact CZ-NE2 3.7Å; F1071-H1075 PolarHBondContact O-CD2 3.19Å; F1071-H1075 VanDerWaalsContact O-CD2 3.25Å; F1071-H1075 PolarHBondContact O-N 3.28Å; L1073-H1075 PolarHBondContact O-N 3.27Å; H1075-V1077 PolarHBondContact O-N 2.86Å |
| 1076 | L | 77.9 | Confident | 67.7 | Low | 33 Ų | 33 | 84.7 Ų | 84.7 | 17% | 0.173 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 76 | 175.1 | -73.8 | 168.2 | 0 | 0 | 0 | 111.4 | C1028 I1035 L1041 L1045 N1072 L1073 | C1028-L1076 HydrophobicContact CB-CD2 4.2Å; I1035-L1076 HydrophobicContact CD1-CD2 3.81Å; L1041-L1076 HydrophobicContact CD1-CD1 3.77Å; L1041-L1076 HydrophobicContact CD1-CD2 3.52Å; L1041-L1076 HydrophobicContact CD1-CG 4.32Å; L1045-L1076 HydrophobicContact CD2-CD1 4.38Å; N1072-L1076 WeakPolarHBondContact O-CB 3.39Å; N1072-L1076 WeakPolarHBondContact O-CD1 3.31Å; N1072-L1076 WeakPolarHBondContact O-CG 3.48Å; N1072-L1076 PolarHBondContact O-N 3.35Å; L1073-L1076 PolarHBondContact O-N 3.48Å |
| 1077 | V | 76.6 | Confident | 66.4 | Low | 70 Ų | 70 | 87.3 Ų | 87.3 | 42% | 0.424 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 157.9 | 178.1 | -166.1 | 0 | 0 | 0 | 0 | 109.7 | K1026 W1027 K1029 H1075 | K1026-V1077 CarbonylContact C-O 3.58Å; K1026-V1077 WeakPolarHBondContact CA-O 3.04Å; W1027-V1077 PolarHBondContact N-O 3.08Å; W1027-V1077 PolarHBondContact O-N 3.04Å; W1027-V1077 VanDerWaalsContact O-N 3.07Å; K1029-V1077 HydrophobicContact CB-CG2 4.33Å; K1029-V1077 HydrophobicContact CD-CG2 4.42Å; H1075-V1077 PolarHBondContact O-N 2.86Å |
| 1078 | D | 77.6 | Confident | 65.2 | Low | 71 Ų | 71 | 88.1 Ų | 88.1 | 38% | 0.38 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 145 | 166.2 | -73.1 | -62.3 | 0 | 0 | 0 | 111.6 | V1024 K1026 P1080 | V1024-D1078 WeakPolarHBondContact CB-OD1 3.5Å; V1024-D1078 HydrophobicContact CG1-CB 3.83Å; V1024-D1078 WeakPolarHBondContact CG1-OD1 3.4Å; K1026-D1078 WeakPolarHBondContact CD-OD1 2.95Å; K1026-D1078 WeakPolarHBondContact CE-OD1 3.37Å; K1026-D1078 IonicContact NZ-OD1 2.74Å; K1026-D1078 PolarHBondContact NZ-OD1 2.89Å; K1026-D1078 IonicContact NZ-OD2 3.21Å; K1026-D1078 PolarHBondContact NZ-OD2 3.03Å; D1078-P1080 WeakPolarHBondContact O-CD 3.45Å |
| 1079 | A | 67.9 | Low | 64.2 | Low | 26 Ų | 26 | 89.6 Ų | 89.6 | 22% | 0.215 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 127.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q1025 W1027 | Q1025-A1079 HydrophobicContact CB-CB 4.39Å; Q1025-A1079 VanDerWaalsContact O-CB 3.3Å; Q1025-A1079 WeakPolarHBondContact O-CB 3.28Å; Q1025-A1079 PolarHBondContact O-N 3.27Å; W1027-A1079 HydrophobicContact CB-CB 4.44Å |
| 1080 | P | 65.3 | Low | 63.5 | Low | 103 Ų | 103 | 88 Ų | 88 | 67% | 0.669 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 140 | 172.7 | -22.8 | 34.2 | 0 | 0 | 0 | 111.8 | D1078 E1082 | D1078-P1080 WeakPolarHBondContact O-CD 3.45Å; P1080-E1082 PolarHBondContact O-N 3.01Å |
| 1081 | N | 54.6 | Low | 62.5 | Low | 165 Ų | 165 | 90.2 Ų | 90.2 | 88% | 0.882 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -68.6 | -17.7 | -176.1 | -79.9 | -31.6 | 0 | 0 | 0 | 114.4 | ||
| 1082 | E | 44.6 | Very low | 61.9 | Low | 123 Ų | 123 | 92.4 Ų | 92.4 | 58% | 0.575 | 50% | 0.499 | S | S | * | . | trans | -106.1 | 79.3 | -176.4 | -61.7 | -164.8 | 155.5 | 0 | 0 | 111.9 | P1080 I1519 | P1080-E1082 PolarHBondContact O-N 3.01Å; E1082-I1519 WeakPolarHBondContact OE1-CD1 3.34Å | ||
| 1083 | L | 48.7 | Very low | 61.2 | Low | 128 Ų | 128 | 97.3 Ų | 97.3 | 67% | 0.67 | 52% | 0.521 | S | S | * | . | trans | -137.5 | 96.6 | 168.6 | -149.7 | 79.3 | 0 | 0 | 0 | 111.6 | H1085 | L1083-H1085 PolarHBondContact O-N 3.47Š| ||
| 1084 | P | 45.8 | Very low | 61 | Low | 121 Ų | 121 | 98.5 Ų | 98.5 | 79% | 0.786 | 52% | 0.516 | S | S | * | . | trans | -59.2 | 134.3 | -180 | -24.9 | 34.7 | 0 | 0 | 0 | 112.5 | S1086 | P1084-S1086 PolarHBondContact O-N 3.44Å; P1084-S1086 VanDerWaalsContact O-N 3.16Å | ||
| 1085 | H | 44.6 | Very low | 60.8 | Low | 165 Ų | 165 | 98.4 Ų | 98.4 | 76% | 0.764 | 51% | 0.509 | S | S | * | . | trans | -67.8 | 112.7 | 174.2 | -72.1 | 1 | 0 | 0 | 0 | 110.6 | L1083 Q1087 | L1083-H1085 PolarHBondContact O-N 3.47Å; H1085-Q1087 PolarHBondContact O-N 3.31Å; H1085-Q1087 VanDerWaalsContact O-N 3.07Å | ||
| 1086 | S | 49.9 | Very low | 60.9 | Low | 65 Ų | 65 | 100.5 Ų | 100.5 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | trans | -58.8 | 113.3 | 177.3 | -178 | 0 | 0 | 0 | 0 | 111.1 | P1084 H1088 D1089 | P1084-S1086 PolarHBondContact O-N 3.44Å; P1084-S1086 VanDerWaalsContact O-N 3.16Å; S1086-H1088 PolarHBondContact O-N 3.4Å; S1086-H1088 VanDerWaalsContact O-N 3.13Å; S1086-D1089 PolarHBondContact O-N 3.02Å | ||
| 1087 | Q | 45.8 | Very low | 60.9 | Low | 148 Ų | 148 | 104.3 Ų | 104.3 | 69% | 0.692 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -56.6 | -32.8 | -179.7 | -67.3 | -172.4 | -4.3 | 0 | 0 | 112 | H1085 D1089 T1090 Q1091 | H1085-Q1087 PolarHBondContact O-N 3.31Å; H1085-Q1087 VanDerWaalsContact O-N 3.07Å; Q1087-D1089 VanDerWaalsContact C-N 3.31Å; Q1087-D1089 PolarHBondContact O-N 2.92Å; Q1087-T1090 PolarHBondContact O-N 3.06Å; Q1087-T1090 VanDerWaalsContact O-N 3.15Å; Q1087-T1090 PolarHBondContact O-OG1 2.69Å; Q1087-Q1091 PolarHBondContact O-N 2.83Å |
| 1088 | H | 51 | Low | 60.9 | Low | 110 Ų | 110 | 103.3 Ų | 103.3 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57 | -39.9 | 176.9 | 171.8 | -101.4 | 0 | 0 | 0 | 112.6 | S1086 Q1091 Q1092 | S1086-H1088 PolarHBondContact O-N 3.4Å; S1086-H1088 VanDerWaalsContact O-N 3.13Å; H1088-Q1091 PolarHBondContact O-N 2.92Å; H1088-Q1092 PolarHBondContact CE1-NE2 2.98Å; H1088-Q1092 WeakPolarHBondContact O-CB 3.44Å; H1088-Q1092 PolarHBondContact O-N 2.75Å |
| 1089 | D | 52.9 | Low | 61.1 | Low | 91 Ų | 91 | 108 Ų | 108 | 49% | 0.487 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.3 | -36.7 | 178.1 | -73.7 | -44.4 | 0 | 0 | 0 | 111.9 | S1086 Q1087 Q1091 Q1092 E1093 | S1086-D1089 PolarHBondContact O-N 3.02Å; Q1087-D1089 VanDerWaalsContact C-N 3.31Å; Q1087-D1089 PolarHBondContact O-N 2.92Å; D1089-Q1091 VanDerWaalsContact C-N 3.32Å; D1089-Q1091 PolarHBondContact O-N 2.62Å; D1089-Q1092 PolarHBondContact O-N 2.58Å; D1089-E1093 WeakPolarHBondContact O-CB 3.16Å; D1089-E1093 PolarHBondContact O-N 2.69Å |
| 1090 | T | 59 | Low | 61.9 | Low | 57 Ų | 57 | 112.8 Ų | 112.8 | 35% | 0.35 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.1 | -35.3 | 173.9 | 82.2 | 0 | 0 | 0 | 0 | 112 | Q1087 R1094 | Q1087-T1090 PolarHBondContact O-N 3.06Å; Q1087-T1090 VanDerWaalsContact O-N 3.15Å; Q1087-T1090 PolarHBondContact O-OG1 2.69Å; T1090-R1094 WeakPolarHBondContact O-CB 3.38Å; T1090-R1094 VanDerWaalsContact O-CG 3.31Å; T1090-R1094 WeakPolarHBondContact O-CG 3.16Å; T1090-R1094 PolarHBondContact O-N 2.87Å; T1090-R1094 PolarHBondContact O-NE 3.49Å; T1090-R1094 VanDerWaalsContact O-NE 3.15Å; T1090-R1094 PolarHBondContact OG1-NH2 3.49Å |
| 1091 | Q | 58.9 | Low | 62.9 | Low | 104 Ų | 104 | 111.8 Ų | 111.8 | 49% | 0.486 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.7 | -44.2 | 174.2 | -71.2 | -178 | -5.1 | 0 | 0 | 110.6 | Q1087 H1088 D1089 E1093 R1094 L1095 | Q1087-Q1091 PolarHBondContact O-N 2.83Å; H1088-Q1091 PolarHBondContact O-N 2.92Å; D1089-Q1091 VanDerWaalsContact C-N 3.32Å; D1089-Q1091 PolarHBondContact O-N 2.62Å; Q1091-E1093 VanDerWaalsContact C-N 3.29Å; Q1091-E1093 PolarHBondContact O-N 3.28Å; Q1091-R1094 PolarHBondContact O-N 3.31Å; Q1091-L1095 WeakPolarHBondContact O-CG 3.26Å; Q1091-L1095 PolarHBondContact O-N 2.91Å |
| 1092 | Q | 68.4 | Low | 64.4 | Low | 77 Ų | 77 | 104.5 Ų | 104.5 | 36% | 0.36 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.3 | -33.6 | 178.5 | -153 | -167.2 | 96 | 0 | 0 | 111.5 | H1088 D1089 K1096 | H1088-Q1092 PolarHBondContact CE1-NE2 2.98Å; H1088-Q1092 WeakPolarHBondContact O-CB 3.44Å; H1088-Q1092 PolarHBondContact O-N 2.75Å; D1089-Q1092 PolarHBondContact O-N 2.58Å; Q1092-K1096 WeakPolarHBondContact O-CB 2.77Å; Q1092-K1096 WeakPolarHBondContact O-CD 3.16Å; Q1092-K1096 WeakPolarHBondContact O-CG 3.1Å; Q1092-K1096 PolarHBondContact O-N 2.99Å |
| 1093 | E | 68.5 | Low | 66.6 | Low | 127 Ų | 127 | 108 Ų | 108 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.7 | -47.1 | 169.3 | 179.9 | 147.5 | -130.9 | 0 | 0 | 112.6 | D1089 Q1091 L1095 K1096 L1097 | D1089-E1093 WeakPolarHBondContact O-CB 3.16Å; D1089-E1093 PolarHBondContact O-N 2.69Å; Q1091-E1093 VanDerWaalsContact C-N 3.29Å; Q1091-E1093 PolarHBondContact O-N 3.28Å; E1093-L1095 PolarHBondContact O-N 3.39Å; E1093-K1096 CarbonylContact O-C 3.18Å; E1093-K1096 WeakPolarHBondContact O-CA 3.28Å; E1093-K1096 WeakPolarHBondContact O-CB 3.38Å; E1093-K1096 PolarHBondContact O-N 3.09Å; E1093-L1097 WeakPolarHBondContact O-CB 3.46Å; E1093-L1097 PolarHBondContact O-N 3.4Å |
| 1094 | R | 67.2 | Low | 68.6 | Low | 158 Ų | 158 | 108.8 Ų | 108.8 | 60% | 0.596 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -53.5 | -43 | 172.8 | -79.2 | 178.7 | -87.4 | -175.7 | -7.3 | 111.6 | T1090 Q1091 L1097 R1098 | T1090-R1094 WeakPolarHBondContact O-CB 3.38Å; T1090-R1094 VanDerWaalsContact O-CG 3.31Å; T1090-R1094 WeakPolarHBondContact O-CG 3.16Å; T1090-R1094 PolarHBondContact O-N 2.87Å; T1090-R1094 PolarHBondContact O-NE 3.49Å; T1090-R1094 VanDerWaalsContact O-NE 3.15Å; T1090-R1094 PolarHBondContact OG1-NH2 3.49Å; Q1091-R1094 PolarHBondContact O-N 3.31Å; R1094-L1097 PolarHBondContact O-N 3.3Å; R1094-R1098 WeakPolarHBondContact O-CB 3.5Å; R1094-R1098 PolarHBondContact O-N 3.1Å |
| 1095 | L | 74.1 | Confident | 70.7 | Confident | 75 Ų | 75 | 103.4 Ų | 103.4 | 39% | 0.393 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.9 | -41.6 | 174.1 | -69 | 172.5 | 0 | 0 | 0 | 113.2 | Q1091 E1093 L1097 R1098 R1099 | Q1091-L1095 WeakPolarHBondContact O-CG 3.26Å; Q1091-L1095 PolarHBondContact O-N 2.91Å; E1093-L1095 PolarHBondContact O-N 3.39Å; L1095-L1097 VanDerWaalsContact C-N 3.28Å; L1095-L1097 PolarHBondContact O-N 2.7Å; L1095-R1098 PolarHBondContact O-N 3.16Å; L1095-R1099 WeakPolarHBondContact O-CB 3.33Å; L1095-R1099 VanDerWaalsContact O-CG 3.26Å; L1095-R1099 WeakPolarHBondContact O-CG 3.48Å; L1095-R1099 PolarHBondContact O-N 2.98Å |
| 1096 | K | 80.8 | Confident | 72.9 | Confident | 94 Ų | 94 | 97.3 Ų | 97.3 | 41% | 0.409 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 172.3 | -72.9 | 159.3 | -168.2 | 159.6 | 0 | 110.8 | Q1092 E1093 K1100 | Q1092-K1096 WeakPolarHBondContact O-CB 2.77Å; Q1092-K1096 WeakPolarHBondContact O-CD 3.16Å; Q1092-K1096 WeakPolarHBondContact O-CG 3.1Å; Q1092-K1096 PolarHBondContact O-N 2.99Å; E1093-K1096 CarbonylContact O-C 3.18Å; E1093-K1096 WeakPolarHBondContact O-CA 3.28Å; E1093-K1096 WeakPolarHBondContact O-CB 3.38Å; E1093-K1096 PolarHBondContact O-N 3.09Å; K1096-K1100 WeakPolarHBondContact O-CB 3.28Å; K1096-K1100 VanDerWaalsContact O-CG 3.23Å; K1096-K1100 WeakPolarHBondContact O-CG 3.47Å; K1096-K1100 PolarHBondContact O-N 3.12Å |
| 1097 | L | 76.9 | Confident | 74.8 | Confident | 113 Ų | 113 | 100.9 Ų | 100.9 | 59% | 0.592 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -70.8 | -45.6 | 178.7 | -174.9 | 61.5 | 0 | 0 | 0 | 112 | E1093 R1094 L1095 R1099 K1100 R1101 | E1093-L1097 WeakPolarHBondContact O-CB 3.46Å; E1093-L1097 PolarHBondContact O-N 3.4Å; R1094-L1097 PolarHBondContact O-N 3.3Å; L1095-L1097 VanDerWaalsContact C-N 3.28Å; L1095-L1097 PolarHBondContact O-N 2.7Å; L1097-R1099 PolarHBondContact O-N 2.8Å; L1097-K1100 CarbonylContact O-C 3.59Å; L1097-K1100 WeakPolarHBondContact O-CB 3.38Å; L1097-K1100 PolarHBondContact O-N 2.82Å; L1097-K1100 VanDerWaalsContact O-N 3.12Å; L1097-R1101 PolarHBondContact O-N 3.48Å |
| 1098 | R | 75.8 | Confident | 76.9 | Confident | 48 Ų | 48 | 98.6 Ų | 98.6 | 18% | 0.181 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -57.9 | -45.4 | 174.3 | -167 | 175.7 | -175 | 174 | 5.7 | 111.3 | R1094 L1095 K1100 R1101 A1102 V1417 D1423 | R1094-R1098 WeakPolarHBondContact O-CB 3.5Å; R1094-R1098 PolarHBondContact O-N 3.1Å; L1095-R1098 PolarHBondContact O-N 3.16Å; R1098-K1100 PolarHBondContact O-N 2.67Å; R1098-R1101 WeakPolarHBondContact O-CB 3.48Å; R1098-R1101 PolarHBondContact O-N 3.41Å; R1098-R1101 VanDerWaalsContact O-N 3.16Å; R1098-A1102 PolarHBondContact O-N 3.49Å; R1098-V1417 PolarHBondContact NE-O 2.97Å; R1098-V1417 PolarHBondContact NH2-O 3.31Å; R1098-D1423 IonicContact CZ-OD1 3.37Å; R1098-D1423 IonicContact CZ-OD2 3.5Å; R1098-D1423 VanDerWaalsContact CZ-OD2 3.24Å; R1098-D1423 IonicContact NH1-OD1 2.68Å; R1098-D1423 PolarHBondContact NH1-OD1 2.71Å; R1098-D1423 IonicContact NH1-OD2 2.78Å; R1098-D1423 PolarHBondContact NH1-OD2 3.04Å; R1098-D1423 IonicContact NH2-OD1 3.08Å; R1098-D1423 PolarHBondContact NH2-OD1 3.04Å; R1098-D1423 IonicContact NH2-OD2 3.08Å |
| 1099 | R | 82.2 | Confident | 78.6 | Confident | 171 Ų | 171 | 93.8 Ų | 93.8 | 65% | 0.645 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.3 | -38.7 | 173.3 | -70.3 | 171.7 | -179.2 | -179 | 2.2 | 112.9 | L1095 L1097 R1103 | L1095-R1099 WeakPolarHBondContact O-CB 3.33Å; L1095-R1099 VanDerWaalsContact O-CG 3.26Å; L1095-R1099 WeakPolarHBondContact O-CG 3.48Å; L1095-R1099 PolarHBondContact O-N 2.98Å; L1097-R1099 PolarHBondContact O-N 2.8Å; R1099-R1103 WeakPolarHBondContact O-CG 3.45Å; R1099-R1103 PolarHBondContact O-N 3.41Å |
| 1100 | K | 85.2 | Confident | 80.4 | Confident | 125 Ų | 125 | 92.7 Ų | 92.7 | 54% | 0.543 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 172.3 | -74 | 165.8 | -177.4 | 174.5 | 0 | 111.9 | K1096 L1097 R1098 K1104 | K1096-K1100 WeakPolarHBondContact O-CB 3.28Å; K1096-K1100 VanDerWaalsContact O-CG 3.23Å; K1096-K1100 WeakPolarHBondContact O-CG 3.47Å; K1096-K1100 PolarHBondContact O-N 3.12Å; L1097-K1100 CarbonylContact O-C 3.59Å; L1097-K1100 WeakPolarHBondContact O-CB 3.38Å; L1097-K1100 PolarHBondContact O-N 2.82Å; L1097-K1100 VanDerWaalsContact O-N 3.12Å; R1098-K1100 PolarHBondContact O-N 2.67Å; K1100-K1104 WeakPolarHBondContact O-CG 2.95Å; K1100-K1104 PolarHBondContact O-N 3.41Å |
| 1101 | R | 85.3 | Confident | 81.9 | Confident | 82 Ų | 82 | 95.7 Ų | 95.7 | 31% | 0.309 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.7 | -49 | 176 | -179.4 | 176.7 | 173 | 161.2 | -1.7 | 111.2 | L1097 R1098 R1103 K1104 L1105 F1580 | L1097-R1101 PolarHBondContact O-N 3.48Å; R1098-R1101 WeakPolarHBondContact O-CB 3.48Å; R1098-R1101 PolarHBondContact O-N 3.41Å; R1098-R1101 VanDerWaalsContact O-N 3.16Å; R1101-R1103 PolarHBondContact O-N 3.23Å; R1101-K1104 PolarHBondContact O-N 2.63Å; R1101-L1105 HydrophobicContact CG-CD1 3.92Å; R1101-L1105 PolarHBondContact O-N 3.19Å; R1101-F1580 VanDerWaalsContact NH2-CE2 3.35Å; R1101-F1580 VanDerWaalsContact NH2-CZ 3.31Å |
| 1102 | A | 87.3 | Confident | 83.2 | Confident | 12 Ų | 12 | 94 Ų | 94 | 10% | 0.099 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -56.8 | -46.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1098 K1104 L1105 R1106 Y1415 S1418 | R1098-A1102 PolarHBondContact O-N 3.49Å; A1102-K1104 PolarHBondContact O-N 2.99Å; A1102-L1105 PolarHBondContact O-N 3.47Å; A1102-R1106 WeakPolarHBondContact O-CB 3.35Å; A1102-R1106 PolarHBondContact O-N 3.46Å; A1102-Y1415 HydrophobicContact CB-CE2 4.45Å; A1102-S1418 WeakPolarHBondContact CB-O 3.46Å |
| 1103 | R | 89.8 | Confident | 84.2 | Confident | 197 Ų | 197 | 90.4 Ų | 90.4 | 74% | 0.743 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61.4 | -42.1 | 177.2 | -70.5 | 175.4 | -177.7 | -170.3 | 0.1 | 112.3 | R1099 R1101 R1106 Q1107 | R1099-R1103 WeakPolarHBondContact O-CG 3.45Å; R1099-R1103 PolarHBondContact O-N 3.41Å; R1101-R1103 PolarHBondContact O-N 3.23Å; R1103-R1106 PolarHBondContact O-N 3.41Å; R1103-Q1107 PolarHBondContact O-N 2.95Å |
| 1104 | K | 91.7 | Very high | 85.1 | Confident | 144 Ų | 144 | 89.5 Ų | 89.5 | 63% | 0.626 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -67.8 | -39.7 | 177 | -72.7 | 179.3 | 177.7 | -176 | 0 | 112.6 | K1100 R1101 A1102 R1108 | K1100-K1104 WeakPolarHBondContact O-CG 2.95Å; K1100-K1104 PolarHBondContact O-N 3.41Å; R1101-K1104 PolarHBondContact O-N 2.63Å; A1102-K1104 PolarHBondContact O-N 2.99Å; K1104-R1108 WeakPolarHBondContact O-CG 2.91Å; K1104-R1108 PolarHBondContact O-N 3.05Å |
| 1105 | L | 89.9 | Confident | 86.1 | Confident | 8 Ų | 8 | 86.5 Ų | 86.5 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.4 | -54.5 | 171.9 | -82.6 | 158.3 | 0 | 0 | 0 | 110.6 | R1101 A1102 Q1107 R1108 M1109 D1411 Y1415 S1418 | R1101-L1105 HydrophobicContact CG-CD1 3.92Å; R1101-L1105 PolarHBondContact O-N 3.19Å; A1102-L1105 PolarHBondContact O-N 3.47Å; L1105-Q1107 VanDerWaalsContact C-N 3.3Å; L1105-Q1107 PolarHBondContact O-N 2.85Å; L1105-R1108 PolarHBondContact O-N 3Å; L1105-R1108 VanDerWaalsContact O-N 3.12Å; L1105-M1109 HydrophobicContact CB-SD 4.28Å; L1105-M1109 VanDerWaalsContact O-CG 3.29Å; L1105-M1109 WeakPolarHBondContact O-CG 3.41Å; L1105-M1109 PolarHBondContact O-N 2.92Å; L1105-D1411 WeakPolarHBondContact CD2-OD1 3.17Å; L1105-Y1415 HydrophobicContact CB-CD2 4.11Å; L1105-S1418 WeakPolarHBondContact CD1-OG 3.05Å |
| 1106 | R | 89.6 | Confident | 86.6 | Confident | 37 Ų | 37 | 84.4 Ų | 84.4 | 14% | 0.14 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.9 | -42.4 | 180 | -172.9 | 60.3 | 169.6 | -68.7 | 8.5 | 113.1 | A1102 R1103 M1109 N1110 S1263 D1267 Y1415 | A1102-R1106 WeakPolarHBondContact O-CB 3.35Å; A1102-R1106 PolarHBondContact O-N 3.46Å; R1103-R1106 PolarHBondContact O-N 3.41Å; R1106-M1109 PolarHBondContact O-N 2.78Å; R1106-N1110 PolarHBondContact NE-OD1 3.39Å; R1106-N1110 VanDerWaalsContact O-CB 3.32Å; R1106-N1110 WeakPolarHBondContact O-CB 3.17Å; R1106-N1110 VanDerWaalsContact O-CG 3.23Å; R1106-N1110 PolarHBondContact O-N 3.37Å; R1106-N1110 PolarHBondContact O-OD1 2.89Å; R1106-S1263 PolarHBondContact NE-OG 3.02Å; R1106-S1263 PolarHBondContact NH2-OG 3.34Å; R1106-D1267 IonicContact CZ-OD1 3.19Å; R1106-D1267 IonicContact CZ-OD2 3.81Å; R1106-D1267 IonicContact NH1-OD1 2.7Å; R1106-D1267 PolarHBondContact NH1-OD1 3.45Å; R1106-D1267 IonicContact NH1-OD2 4Å; R1106-D1267 PolarHBondContact NH1-OD2 3.25Å; R1106-D1267 IonicContact NH2-OD1 2.85Å; R1106-D1267 IonicContact NH2-OD2 2.8Å; R1106-D1267 PolarHBondContact NH2-OD2 3.48Å; R1106-Y1415 HydrophobicContact CB-CD2 4.29Å; R1106-Y1415 HydrophobicContact CB-CE2 3.73Å; R1106-Y1415 HydrophobicContact CG-CE2 4.35Å; R1106-Y1415 PolarHBondContact NH1-OH 2.96Å |
| 1107 | Q | 90.2 | Very high | 86.8 | Confident | 141 Ų | 141 | 82.6 Ų | 82.6 | 66% | 0.659 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.3 | -46.3 | 178.3 | -171.8 | 178.7 | 7.6 | 0 | 0 | 111.8 | R1103 L1105 Q1111 | R1103-Q1107 PolarHBondContact O-N 2.95Å; L1105-Q1107 VanDerWaalsContact C-N 3.3Å; L1105-Q1107 PolarHBondContact O-N 2.85Å; Q1107-Q1111 WeakPolarHBondContact O-CB 2.95Å; Q1107-Q1111 PolarHBondContact O-N 2.87Å |
| 1108 | R | 90.1 | Very high | 87.1 | Confident | 99 Ų | 99 | 84.6 Ų | 84.6 | 37% | 0.374 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 176.5 | -65.6 | -171.4 | -52.3 | 164.3 | 5.5 | 111.9 | K1104 L1105 Q1111 R1112 D1411 | K1104-R1108 WeakPolarHBondContact O-CG 2.91Å; K1104-R1108 PolarHBondContact O-N 3.05Å; L1105-R1108 PolarHBondContact O-N 3Å; L1105-R1108 VanDerWaalsContact O-N 3.12Å; R1108-Q1111 PolarHBondContact O-N 3Å; R1108-R1112 WeakPolarHBondContact O-CB 2.95Å; R1108-R1112 VanDerWaalsContact O-CG 3.28Å; R1108-R1112 WeakPolarHBondContact O-CG 3.43Å; R1108-R1112 PolarHBondContact O-N 3.32Å; R1108-D1411 IonicContact CZ-OD1 3.66Å; R1108-D1411 IonicContact NH2-OD1 3.58Å; R1108-D1411 PolarHBondContact NH2-OD1 3.43Å |
| 1109 | M | 87.4 | Confident | 87.3 | Confident | 10 Ų | 10 | 87.5 Ų | 87.5 | 5% | 0.049 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 179.8 | -65.8 | 161.4 | 65.5 | 0 | 0 | 111.8 | L1105 R1106 R1112 G1113 N1260 D1411 L1412 Y1415 | L1105-M1109 HydrophobicContact CB-SD 4.28Å; L1105-M1109 VanDerWaalsContact O-CG 3.29Å; L1105-M1109 WeakPolarHBondContact O-CG 3.41Å; L1105-M1109 PolarHBondContact O-N 2.92Å; R1106-M1109 PolarHBondContact O-N 2.78Å; M1109-R1112 PolarHBondContact O-N 2.74Å; M1109-G1113 PolarHBondContact O-N 3.07Å; M1109-N1260 WeakPolarHBondContact CB-ND2 3.5Å; M1109-N1260 VanDerWaalsContact CE-OD1 3.29Å; M1109-N1260 WeakPolarHBondContact CE-OD1 3.25Å; M1109-D1411 HydrophobicContact CG-CB 3.87Å; M1109-D1411 HydrophobicContact SD-CB 4.18Å; M1109-L1412 HydrophobicContact CE-CB 4.32Å; M1109-L1412 HydrophobicContact CE-CD1 4.15Å; M1109-Y1415 HydrophobicContact CE-CD1 4.32Å; M1109-Y1415 HydrophobicContact CE-CG 4.15Å; M1109-Y1415 HydrophobicContact SD-CG 4.09Å |
| 1110 | N | 90.4 | Very high | 87 | Confident | 67 Ų | 67 | 82 Ų | 82 | 36% | 0.358 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 173.7 | -74.4 | -1.8 | 0 | 0 | 0 | 111.6 | R1106 R1112 G1113 L1114 N1260 | R1106-N1110 PolarHBondContact NE-OD1 3.39Å; R1106-N1110 VanDerWaalsContact O-CB 3.32Å; R1106-N1110 WeakPolarHBondContact O-CB 3.17Å; R1106-N1110 VanDerWaalsContact O-CG 3.23Å; R1106-N1110 PolarHBondContact O-N 3.37Å; R1106-N1110 PolarHBondContact O-OD1 2.89Å; N1110-R1112 VanDerWaalsContact C-N 3.33Å; N1110-R1112 PolarHBondContact O-N 3.33Å; N1110-G1113 PolarHBondContact O-N 3.46Å; N1110-L1114 WeakPolarHBondContact O-CG 3.38Å; N1110-L1114 PolarHBondContact O-N 3.37Å; N1110-N1260 PolarHBondContact N-ND2 2.63Å; N1110-N1260 PolarHBondContact OD1-ND2 3.3Å |
| 1111 | Q | 89.4 | Confident | 86.4 | Confident | 121 Ų | 121 | 82.8 Ų | 82.8 | 57% | 0.565 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -58.2 | -45.6 | 176.3 | -176.7 | -179.5 | 7 | 0 | 0 | 111.5 | Q1107 R1108 L1114 Q1115 | Q1107-Q1111 WeakPolarHBondContact O-CB 2.95Å; Q1107-Q1111 PolarHBondContact O-N 2.87Å; R1108-Q1111 PolarHBondContact O-N 3Å; Q1111-L1114 PolarHBondContact O-N 3.27Å; Q1111-Q1115 WeakPolarHBondContact O-CG 3.37Å; Q1111-Q1115 PolarHBondContact O-N 3.17Å; Q1111-Q1115 VanDerWaalsContact O-N 3.16Å |
| 1112 | R | 87.9 | Confident | 85.6 | Confident | 68 Ų | 68 | 83.1 Ų | 83.1 | 26% | 0.257 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69.4 | -26.7 | 177.8 | -75.6 | 172.2 | 153.5 | -166 | -17.5 | 114.3 | R1108 M1109 N1110 F1116 R1408 D1411 | R1108-R1112 WeakPolarHBondContact O-CB 2.95Å; R1108-R1112 VanDerWaalsContact O-CG 3.28Å; R1108-R1112 WeakPolarHBondContact O-CG 3.43Å; R1108-R1112 PolarHBondContact O-N 3.32Å; M1109-R1112 PolarHBondContact O-N 2.74Å; N1110-R1112 VanDerWaalsContact C-N 3.33Å; N1110-R1112 PolarHBondContact O-N 3.33Å; R1112-F1116 PolarHBondContact O-N 3.34Å; R1112-R1408 PolarHBondContact O-NH1 3.02Å; R1112-R1408 VanDerWaalsContact O-NH1 3.17Å; R1112-R1408 PolarHBondContact O-NH2 3.44Å; R1112-D1411 IonicContact CZ-OD2 3.66Å; R1112-D1411 IonicContact NH1-OD2 2.76Å; R1112-D1411 PolarHBondContact NH1-OD2 3.02Å |
| 1113 | G | 88.1 | Confident | 84.3 | Confident | 1 Ų | 1 | 85.6 Ų | 85.6 | 1% | 0.01 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -77 | -39.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1109 N1110 Q1115 F1116 L1117 L1258 | M1109-G1113 PolarHBondContact O-N 3.07Å; N1110-G1113 PolarHBondContact O-N 3.46Å; G1113-Q1115 VanDerWaalsContact C-N 3.28Å; G1113-Q1115 PolarHBondContact O-N 2.71Å; G1113-F1116 PolarHBondContact O-N 2.69Å; G1113-L1117 WeakPolarHBondContact O-CG 3.3Å; G1113-L1117 PolarHBondContact O-N 3.37Å; G1113-L1258 WeakPolarHBondContact CA-O 3.22Å |
| 1114 | L | 88 | Confident | 82.9 | Confident | 108 Ų | 108 | 85 Ų | 85 | 57% | 0.565 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -66.6 | -27.9 | 173.5 | -71.2 | 169.3 | 0 | 0 | 0 | 112.9 | N1110 Q1111 K1118 | N1110-L1114 WeakPolarHBondContact O-CG 3.38Å; N1110-L1114 PolarHBondContact O-N 3.37Å; Q1111-L1114 PolarHBondContact O-N 3.27Å; L1114-K1118 VanDerWaalsContact O-CG 3.31Å; L1114-K1118 WeakPolarHBondContact O-CG 3.5Å; L1114-K1118 PolarHBondContact O-N 3.41Å |
| 1115 | Q | 87.3 | Confident | 81.3 | Confident | 95 Ų | 95 | 80.1 Ų | 80.1 | 44% | 0.444 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.8 | -54.6 | 169.4 | -73.4 | 172.5 | -52.1 | 0 | 0 | 110.7 | Q1111 G1113 L1117 K1118 E1119 | Q1111-Q1115 WeakPolarHBondContact O-CG 3.37Å; Q1111-Q1115 PolarHBondContact O-N 3.17Å; Q1111-Q1115 VanDerWaalsContact O-N 3.16Å; G1113-Q1115 VanDerWaalsContact C-N 3.28Å; G1113-Q1115 PolarHBondContact O-N 2.71Å; Q1115-L1117 VanDerWaalsContact C-N 3.33Å; Q1115-L1117 PolarHBondContact O-N 2.73Å; Q1115-K1118 PolarHBondContact O-N 2.78Å; Q1115-K1118 VanDerWaalsContact O-N 3.15Å; Q1115-E1119 WeakPolarHBondContact O-CG 3.21Å; Q1115-E1119 PolarHBondContact O-N 3.46Å |
| 1116 | F | 86 | Confident | 79.9 | Confident | 32 Ų | 32 | 83.5 Ų | 83.5 | 14% | 0.14 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -55.9 | -43.4 | 177.3 | 169.9 | -101.6 | 0 | 0 | 0 | 112.9 | R1112 G1113 K1118 E1119 F1120 L1258 | R1112-F1116 PolarHBondContact O-N 3.34Å; G1113-F1116 PolarHBondContact O-N 2.69Å; F1116-K1118 VanDerWaalsContact C-N 3.35Å; F1116-K1118 PolarHBondContact O-N 3.08Å; F1116-E1119 PolarHBondContact O-N 3.23Å; F1116-F1120 HydrophobicContact CZ-CB 4.41Å; F1116-F1120 HydrophobicContact CZ-CD2 4.15Å; F1116-F1120 HydrophobicContact CZ-CG 4.48Å; F1116-F1120 WeakPolarHBondContact O-CB 3.46Å; F1116-F1120 PolarHBondContact O-N 2.92Å; F1116-L1258 HydrophobicContact CB-CB 4.46Å; F1116-L1258 HydrophobicContact CD1-CB 3.7Å; F1116-L1258 HydrophobicContact CD2-CB 3.74Å; F1116-L1258 HydrophobicContact CD2-CD1 3.91Å; F1116-L1258 HydrophobicContact CD2-CG 4.43Å; F1116-L1258 HydrophobicContact CE1-CB 3.78Å; F1116-L1258 HydrophobicContact CE2-CB 3.82Å; F1116-L1258 HydrophobicContact CE2-CD1 3.55Å; F1116-L1258 HydrophobicContact CE2-CG 4.35Å; F1116-L1258 HydrophobicContact CG-CB 3.67Å; F1116-L1258 HydrophobicContact CZ-CB 3.84Å; F1116-L1258 HydrophobicContact CZ-CD1 4.06Å |
| 1117 | L | 83.5 | Confident | 78.7 | Confident | 56 Ų | 56 | 84.9 Ų | 84.9 | 29% | 0.293 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 179.7 | -73.3 | 169.3 | 0 | 0 | 0 | 112.6 | G1113 Q1115 F1120 E1121 | G1113-L1117 WeakPolarHBondContact O-CG 3.3Å; G1113-L1117 PolarHBondContact O-N 3.37Å; Q1115-L1117 VanDerWaalsContact C-N 3.33Å; Q1115-L1117 PolarHBondContact O-N 2.73Å; L1117-F1120 PolarHBondContact O-N 3.3Å; L1117-E1121 WeakPolarHBondContact O-CB 3.49Å; L1117-E1121 WeakPolarHBondContact O-CG 3.37Å; L1117-E1121 PolarHBondContact O-N 3.44Å |
| 1118 | K | 84.4 | Confident | 77.5 | Confident | 154 Ų | 154 | 80.1 Ų | 80.1 | 67% | 0.67 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -67.4 | -41.2 | 174.1 | -72.4 | 175.5 | 177.9 | -168.8 | 0 | 112.2 | L1114 Q1115 F1116 F1120 E1121 S1122 | L1114-K1118 VanDerWaalsContact O-CG 3.31Å; L1114-K1118 WeakPolarHBondContact O-CG 3.5Å; L1114-K1118 PolarHBondContact O-N 3.41Å; Q1115-K1118 PolarHBondContact O-N 2.78Å; Q1115-K1118 VanDerWaalsContact O-N 3.15Å; F1116-K1118 VanDerWaalsContact C-N 3.35Å; F1116-K1118 PolarHBondContact O-N 3.08Å; K1118-F1120 VanDerWaalsContact C-N 3.32Å; K1118-E1121 PolarHBondContact O-N 2.84Å; K1118-S1122 PolarHBondContact O-N 2.89Å; K1118-S1122 VanDerWaalsContact O-N 3.12Å |
| 1119 | E | 80.3 | Confident | 76.5 | Confident | 109 Ų | 109 | 82.2 Ų | 82.2 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 175.3 | -70.5 | 159.1 | -162.2 | 0 | 0 | 110.9 | Q1115 F1116 S1122 N1123 | Q1115-E1119 WeakPolarHBondContact O-CG 3.21Å; Q1115-E1119 PolarHBondContact O-N 3.46Å; F1116-E1119 PolarHBondContact O-N 3.23Å; E1119-S1122 PolarHBondContact O-OG 3.23Å; E1119-N1123 PolarHBondContact O-N 3.1Å; E1119-N1123 VanDerWaalsContact O-N 3.16Å; E1119-N1123 PolarHBondContact O-ND2 3.38Å |
| 1120 | F | 76 | Confident | 76.2 | Confident | 57 Ų | 57 | 82.3 Ų | 82.3 | 25% | 0.25 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -69.6 | -43.2 | 176 | -169.8 | -98.4 | 0 | 0 | 0 | 112.7 | F1116 L1117 K1118 S1122 N1123 I1384 | F1116-F1120 HydrophobicContact CZ-CB 4.41Å; F1116-F1120 HydrophobicContact CZ-CD2 4.15Å; F1116-F1120 HydrophobicContact CZ-CG 4.48Å; F1116-F1120 WeakPolarHBondContact O-CB 3.46Å; F1116-F1120 PolarHBondContact O-N 2.92Å; L1117-F1120 PolarHBondContact O-N 3.3Å; K1118-F1120 VanDerWaalsContact C-N 3.32Å; F1120-S1122 VanDerWaalsContact C-N 3.26Å; F1120-S1122 PolarHBondContact O-N 3.33Å; F1120-N1123 CarbonylContact O-C 3.29Å; F1120-N1123 PolarHBondContact O-N 2.97Å; F1120-N1123 VanDerWaalsContact O-N 3.15Å; F1120-I1384 HydrophobicContact CE2-CD1 4.48Å |
| 1121 | E | 71.3 | Confident | 75.8 | Confident | 141 Ų | 141 | 83.9 Ų | 83.9 | 66% | 0.659 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.3 | -28.9 | 176.1 | -76.7 | -178.9 | 166.2 | 0 | 0 | 113.3 | L1117 K1118 | L1117-E1121 WeakPolarHBondContact O-CB 3.49Å; L1117-E1121 WeakPolarHBondContact O-CG 3.37Å; L1117-E1121 PolarHBondContact O-N 3.44Å; K1118-E1121 PolarHBondContact O-N 2.84Å |
| 1122 | S | 68.9 | Low | 75.6 | Confident | 89 Ų | 89 | 80.8 Ų | 80.8 | 62% | 0.622 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -75 | -34.1 | 172.4 | 73 | 0 | 0 | 0 | 0 | 113 | K1118 E1119 F1120 K1124 | K1118-S1122 PolarHBondContact O-N 2.89Å; K1118-S1122 VanDerWaalsContact O-N 3.12Å; E1119-S1122 PolarHBondContact O-OG 3.23Å; F1120-S1122 VanDerWaalsContact C-N 3.26Å; F1120-S1122 PolarHBondContact O-N 3.33Å; S1122-K1124 PolarHBondContact O-N 2.87Å |
| 1123 | N | 60.6 | Low | 75.5 | Confident | 63 Ų | 63 | 79.5 Ų | 79.5 | 34% | 0.337 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -92.2 | 63.9 | -179.2 | -72.1 | -63.1 | 0 | 0 | 0 | 112 | E1119 F1120 T1125 | E1119-N1123 PolarHBondContact O-N 3.1Å; E1119-N1123 VanDerWaalsContact O-N 3.16Å; E1119-N1123 PolarHBondContact O-ND2 3.38Å; F1120-N1123 CarbonylContact O-C 3.29Å; F1120-N1123 PolarHBondContact O-N 2.97Å; F1120-N1123 VanDerWaalsContact O-N 3.15Å; N1123-T1125 PolarHBondContact O-N 2.66Å |
| 1124 | K | 59 | Low | 75.4 | Confident | 185 Ų | 185 | 86.3 Ų | 86.3 | 80% | 0.804 | 45% | 0.448 | S | S | * | . | trans | -64.2 | 106 | 175.7 | -72.1 | -177.9 | -179.1 | 172.9 | 0 | 111.5 | S1122 | S1122-K1124 PolarHBondContact O-N 2.87Š| ||
| 1125 | T | 58.6 | Low | 75.6 | Confident | 41 Ų | 41 | 85.3 Ų | 85.3 | 25% | 0.252 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 148.4 | 172.4 | 51.8 | 0 | 0 | 0 | 0 | 111.7 | N1123 I1127 I1384 | N1123-T1125 PolarHBondContact O-N 2.66Å; T1125-I1127 PolarHBondContact O-N 3.39Å; T1125-I1384 HydrophobicContact CG2-CB 3.95Å; T1125-I1384 HydrophobicContact CG2-CD1 4.21Å; T1125-I1384 HydrophobicContact CG2-CG2 3.51Å |
| 1126 | P | 61.1 | Low | 75.8 | Confident | 79 Ų | 79 | 80.8 Ų | 80.8 | 51% | 0.513 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 132 | 167.2 | 27 | -32.2 | 0 | 0 | 0 | 109.5 | P1128 T1386 | P1126-P1128 WeakPolarHBondContact O-CD 3.45Å; P1126-T1386 WeakPolarHBondContact CG-O 3.08Å |
| 1127 | I | 63.3 | Low | 76 | Confident | 66 Ų | 66 | 82 Ų | 82 | 34% | 0.338 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 121.9 | -177.4 | -54.9 | 173.8 | 0 | 0 | 0 | 108.4 | T1125 K1133 V1202 | T1125-I1127 PolarHBondContact O-N 3.39Å; I1127-K1133 PolarHBondContact O-NZ 2.85Å; I1127-V1202 HydrophobicContact CG2-CG1 4.4Å; I1127-V1202 HydrophobicContact CG2-CG2 3.97Å |
| 1128 | P | 65 | Low | 76.5 | Confident | 41 Ų | 41 | 86 Ų | 86 | 27% | 0.266 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 149.9 | 176.8 | -26.7 | 35.1 | 0 | 0 | 0 | 112.8 | P1126 S1130 K1133 Q1201 | P1126-P1128 WeakPolarHBondContact O-CD 3.45Å; P1128-S1130 PolarHBondContact O-N 3.45Å; P1128-K1133 WeakPolarHBondContact O-CD 3.46Å; P1128-K1133 WeakPolarHBondContact O-CE 3.5Å; P1128-K1133 PolarHBondContact O-NZ 3.19Å; P1128-Q1201 HydrophobicContact CG-CB 4.04Å |
| 1129 | D | 70.3 | Confident | 77 | Confident | 144 Ų | 144 | 79.5 Ų | 79.5 | 77% | 0.77 | 41% | 0.414 | S | S | * | . | trans | -87.8 | 103.9 | 174.3 | -76.3 | -54.8 | 0 | 0 | 0 | 110.6 | K1133 | D1129-K1133 IonicContact OD1-NZ 2.78Å; D1129-K1133 PolarHBondContact OD1-NZ 2.72Å; D1129-K1133 IonicContact OD2-NZ 3.3Å | ||
| 1130 | S | 81 | Confident | 77.6 | Confident | 11 Ų | 11 | 74.5 Ų | 74.5 | 8% | 0.077 | 39% | 0.391 | C | S | . | . | trans | -108.2 | 150.6 | 168.7 | 91.7 | 0 | 0 | 0 | 0 | 110.5 | P1128 N1132 K1133 S1198 D1199 | P1128-S1130 PolarHBondContact O-N 3.45Å; S1130-N1132 PolarHBondContact O-N 3.39Å; S1130-N1132 PolarHBondContact OG-N 3.2Å; S1130-K1133 WeakPolarHBondContact O-CB 3.45Å; S1130-K1133 PolarHBondContact O-N 3.13Å; S1130-K1133 VanDerWaalsContact O-N 3.15Å; S1130-K1133 PolarHBondContact OG-N 3.39Å; S1130-K1133 VanDerWaalsContact OG-N 3.1Å; S1130-S1198 WeakPolarHBondContact CB-OG 3.39Å; S1130-D1199 WeakPolarHBondContact CB-OD1 3.16Å; S1130-D1199 PolarHBondContact OG-OD1 2.96Å | ||
| 1131 | P | 81.4 | Confident | 78.5 | Confident | 101 Ų | 101 | 79.5 Ų | 79.5 | 66% | 0.656 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -29.7 | 177.9 | 25.6 | -34.4 | 0 | 0 | 0 | 112.4 | V1195 | P1131-V1195 HydrophobicContact CG-CG1 3.8Å; P1131-V1195 HydrophobicContact CG-CG2 4.22Å |
| 1132 | N | 85 | Confident | 79.6 | Confident | 55 Ų | 55 | 75.3 Ų | 75.3 | 29% | 0.294 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -1.7 | 179.2 | -63.4 | -46.2 | 0 | 0 | 0 | 113.9 | S1130 L1134 H1135 L1136 D1199 | S1130-N1132 PolarHBondContact O-N 3.39Å; S1130-N1132 PolarHBondContact OG-N 3.2Å; N1132-L1134 VanDerWaalsContact C-N 3.32Å; N1132-L1134 PolarHBondContact O-N 3.25Å; N1132-L1134 VanDerWaalsContact O-N 3.11Å; N1132-H1135 CarbonylContact O-C 3.44Å; N1132-H1135 WeakPolarHBondContact O-CA 3.12Å; N1132-H1135 WeakPolarHBondContact O-CB 3.36Å; N1132-H1135 PolarHBondContact O-N 3.41Å; N1132-L1136 HydrophobicContact CB-CD1 4.28Å; N1132-L1136 HydrophobicContact CB-CG 4.08Å; N1132-L1136 WeakPolarHBondContact O-CG 3.47Å; N1132-L1136 PolarHBondContact O-N 3.4Å; N1132-D1199 VanDerWaalsContact CB-OD2 3.3Å; N1132-D1199 WeakPolarHBondContact CB-OD2 3.33Å; N1132-D1199 PolarHBondContact ND2-OD2 3.15Å |
| 1133 | K | 86.4 | Confident | 80.8 | Confident | 41 Ų | 41 | 71 Ų | 71 | 18% | 0.178 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -43.4 | -49.8 | -173.8 | -177.2 | 171.3 | -175.1 | 162.7 | 0 | 113.9 | I1127 P1128 D1129 S1130 L1137 V1202 | I1127-K1133 PolarHBondContact O-NZ 2.85Å; P1128-K1133 WeakPolarHBondContact O-CD 3.46Å; P1128-K1133 WeakPolarHBondContact O-CE 3.5Å; P1128-K1133 PolarHBondContact O-NZ 3.19Å; D1129-K1133 IonicContact OD1-NZ 2.78Å; D1129-K1133 PolarHBondContact OD1-NZ 2.72Å; D1129-K1133 IonicContact OD2-NZ 3.3Å; S1130-K1133 WeakPolarHBondContact O-CB 3.45Å; S1130-K1133 PolarHBondContact O-N 3.13Å; S1130-K1133 VanDerWaalsContact O-N 3.15Å; S1130-K1133 PolarHBondContact OG-N 3.39Å; S1130-K1133 VanDerWaalsContact OG-N 3.1Å; K1133-L1137 HydrophobicContact CG-CD1 4.24Å; K1133-L1137 WeakPolarHBondContact O-CB 3.5Å; K1133-L1137 WeakPolarHBondContact O-CD1 3.13Å; K1133-L1137 WeakPolarHBondContact O-CG 3.27Å; K1133-L1137 PolarHBondContact O-N 3.11Å; K1133-V1202 HydrophobicContact CG-CG1 4.41Å; K1133-V1202 HydrophobicContact CG-CG2 4.46Å |
| 1134 | L | 87.1 | Confident | 82.4 | Confident | 145 Ų | 145 | 72.8 Ų | 72.8 | 76% | 0.759 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -66.6 | -36.5 | 178 | -178.1 | 61.2 | 0 | 0 | 0 | 113.3 | N1132 K1138 | N1132-L1134 VanDerWaalsContact C-N 3.32Å; N1132-L1134 PolarHBondContact O-N 3.25Å; N1132-L1134 VanDerWaalsContact O-N 3.11Å; L1134-K1138 WeakPolarHBondContact O-CB 3.34Å; L1134-K1138 PolarHBondContact O-N 2.96Å; L1134-K1138 VanDerWaalsContact O-N 3.15Å |
| 1135 | H | 91.6 | Very high | 84.1 | Confident | 87 Ų | 87 | 72 Ų | 72 | 40% | 0.403 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -70.4 | -46.3 | 177.8 | -179.8 | -131.5 | 0 | 0 | 0 | 111.4 | N1132 L1137 K1138 L1139 | N1132-H1135 CarbonylContact O-C 3.44Å; N1132-H1135 WeakPolarHBondContact O-CA 3.12Å; N1132-H1135 WeakPolarHBondContact O-CB 3.36Å; N1132-H1135 PolarHBondContact O-N 3.41Å; H1135-L1137 PolarHBondContact O-N 3.13Å; H1135-K1138 WeakPolarHBondContact O-CB 3.5Å; H1135-K1138 PolarHBondContact O-N 2.73Å; H1135-L1139 WeakPolarHBondContact O-CG 3.33Å; H1135-L1139 PolarHBondContact O-N 2.76Å |
| 1136 | L | 90.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58 | -49.2 | 174.5 | -64.5 | 176.2 | 0 | 0 | 0 | 111.4 | N1132 K1138 L1139 I1140 L1170 C1173 D1199 V1202 | N1132-L1136 HydrophobicContact CB-CD1 4.28Å; N1132-L1136 HydrophobicContact CB-CG 4.08Å; N1132-L1136 WeakPolarHBondContact O-CG 3.47Å; N1132-L1136 PolarHBondContact O-N 3.4Å; L1136-K1138 VanDerWaalsContact C-N 3.28Å; L1136-K1138 PolarHBondContact O-N 3.21Å; L1136-L1139 PolarHBondContact O-N 2.63Å; L1136-L1139 VanDerWaalsContact O-N 3.14Å; L1136-I1140 WeakPolarHBondContact O-CB 3.31Å; L1136-I1140 VanDerWaalsContact O-CG1 3.26Å; L1136-I1140 WeakPolarHBondContact O-CG1 3.47Å; L1136-I1140 PolarHBondContact O-N 2.98Å; L1136-L1170 HydrophobicContact CD2-CD2 3.92Å; L1136-C1173 HydrophobicContact CD2-CB 3.63Å; L1136-D1199 HydrophobicContact CD1-CB 3.79Å; L1136-V1202 HydrophobicContact CB-CG1 4.28Å; L1136-V1202 HydrophobicContact CD1-CB 4.06Å; L1136-V1202 HydrophobicContact CD1-CG1 3.99Å |
| 1137 | L | 90.6 | Very high | 87 | Confident | 57 Ų | 57 | 69 Ų | 69 | 30% | 0.298 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -56.3 | -41.6 | 176.6 | -74.5 | 169.5 | 0 | 0 | 0 | 112.2 | K1133 H1135 K1141 N1206 | K1133-L1137 HydrophobicContact CG-CD1 4.24Å; K1133-L1137 WeakPolarHBondContact O-CB 3.5Å; K1133-L1137 WeakPolarHBondContact O-CD1 3.13Å; K1133-L1137 WeakPolarHBondContact O-CG 3.27Å; K1133-L1137 PolarHBondContact O-N 3.11Å; H1135-L1137 PolarHBondContact O-N 3.13Å; L1137-K1141 WeakPolarHBondContact O-CB 3.34Å; L1137-K1141 PolarHBondContact O-N 3.44Å; L1137-N1206 HydrophobicContact CD2-CB 4.33Å; L1137-N1206 WeakPolarHBondContact CD2-OD1 3.4Å |
| 1138 | K | 93.8 | Very high | 88.1 | Confident | 140 Ų | 140 | 71.7 Ų | 71.7 | 61% | 0.609 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.5 | -44 | 176.2 | -173.1 | 177.6 | -178.8 | 178.6 | 0 | 111.9 | L1134 H1135 L1136 N1142 | L1134-K1138 WeakPolarHBondContact O-CB 3.34Å; L1134-K1138 PolarHBondContact O-N 2.96Å; L1134-K1138 VanDerWaalsContact O-N 3.15Å; H1135-K1138 WeakPolarHBondContact O-CB 3.5Å; H1135-K1138 PolarHBondContact O-N 2.73Å; L1136-K1138 VanDerWaalsContact C-N 3.28Å; L1136-K1138 PolarHBondContact O-N 3.21Å; K1138-N1142 WeakPolarHBondContact O-CB 3.33Å; K1138-N1142 PolarHBondContact O-N 2.89Å; K1138-N1142 PolarHBondContact O-ND2 3.27Å |
| 1139 | L | 95.6 | Very high | 89.1 | Confident | 17 Ų | 17 | 73.1 Ų | 73.1 | 9% | 0.089 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.6 | -45.6 | 177.7 | -69.1 | 172 | 0 | 0 | 0 | 112.4 | H1135 L1136 N1142 A1143 L1170 | H1135-L1139 WeakPolarHBondContact O-CG 3.33Å; H1135-L1139 PolarHBondContact O-N 2.76Å; L1136-L1139 PolarHBondContact O-N 2.63Å; L1136-L1139 VanDerWaalsContact O-N 3.14Å; L1139-N1142 PolarHBondContact O-N 3.23Å; L1139-A1143 WeakPolarHBondContact O-CB 3.29Å; L1139-A1143 PolarHBondContact O-N 2.82Å; L1139-L1170 HydrophobicContact CB-CD1 4.36Å; L1139-L1170 HydrophobicContact CB-CD2 3.71Å; L1139-L1170 HydrophobicContact CB-CG 3.86Å; L1139-L1170 HydrophobicContact CD1-CD2 3.98Å; L1139-L1170 HydrophobicContact CD1-CG 4.1Å |
| 1140 | I | 93.3 | Very high | 89.3 | Confident | 5 Ų | 5 | 71 Ų | 71 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63 | -44.2 | 177.8 | -65.9 | 167.3 | 0 | 0 | 0 | 110.7 | L1136 N1142 A1143 R1144 L1170 C1203 N1206 L1208 I1211 | L1136-I1140 WeakPolarHBondContact O-CB 3.31Å; L1136-I1140 VanDerWaalsContact O-CG1 3.26Å; L1136-I1140 WeakPolarHBondContact O-CG1 3.47Å; L1136-I1140 PolarHBondContact O-N 2.98Å; I1140-N1142 VanDerWaalsContact C-N 3.34Å; I1140-N1142 PolarHBondContact O-N 2.62Å; I1140-A1143 PolarHBondContact O-N 2.9Å; I1140-R1144 WeakPolarHBondContact O-CB 3.33Å; I1140-R1144 PolarHBondContact O-N 2.76Å; I1140-L1170 HydrophobicContact CG1-CD1 4.35Å; I1140-L1170 HydrophobicContact CG1-CD2 3.95Å; I1140-C1203 HydrophobicContact CD1-CB 4.3Å; I1140-N1206 HydrophobicContact CD1-CB 4.01Å; I1140-N1206 HydrophobicContact CG2-CB 4.3Å; I1140-L1208 HydrophobicContact CD1-CB 4.37Å; I1140-L1208 HydrophobicContact CG1-CB 4.38Å; I1140-L1208 HydrophobicContact CG1-CD1 4.49Å; I1140-I1211 HydrophobicContact CG2-CD1 3.75Å |
| 1141 | K | 93.3 | Very high | 88.6 | Confident | 161 Ų | 161 | 74.5 Ų | 74.5 | 70% | 0.7 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.5 | -39.9 | 176.1 | -173.8 | 173.7 | -177.6 | 175.3 | 0 | 111.9 | L1137 R1145 | L1137-K1141 WeakPolarHBondContact O-CB 3.34Å; L1137-K1141 PolarHBondContact O-N 3.44Å; K1141-R1145 WeakPolarHBondContact O-CB 3.16Å; K1141-R1145 PolarHBondContact O-N 3.35Å |
| 1142 | N | 94.6 | Very high | 87.6 | Confident | 53 Ų | 53 | 76 Ų | 76 | 28% | 0.283 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.6 | -47.3 | 174.5 | -74.8 | -15.8 | 0 | 0 | 0 | 111.9 | K1138 L1139 I1140 R1144 R1145 F1146 | K1138-N1142 WeakPolarHBondContact O-CB 3.33Å; K1138-N1142 PolarHBondContact O-N 2.89Å; K1138-N1142 PolarHBondContact O-ND2 3.27Å; L1139-N1142 PolarHBondContact O-N 3.23Å; I1140-N1142 VanDerWaalsContact C-N 3.34Å; I1140-N1142 PolarHBondContact O-N 2.62Å; N1142-R1144 PolarHBondContact O-N 3.46Å; N1142-R1145 WeakPolarHBondContact O-CB 3.3Å; N1142-R1145 PolarHBondContact O-N 3.26Å; N1142-R1145 VanDerWaalsContact O-N 3.15Å; N1142-F1146 HydrophobicContact CB-CD2 4.42Å; N1142-F1146 HydrophobicContact CB-CE2 3.95Å; N1142-F1146 WeakPolarHBondContact O-CD2 3.31Å; N1142-F1146 WeakPolarHBondContact O-CG 3.45Å; N1142-F1146 PolarHBondContact O-N 3.01Å |
| 1143 | A | 94.8 | Very high | 87 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1139 I1140 R1145 F1146 L1147 M1163 C1166 I1211 | L1139-A1143 WeakPolarHBondContact O-CB 3.29Å; L1139-A1143 PolarHBondContact O-N 2.82Å; I1140-A1143 PolarHBondContact O-N 2.9Å; A1143-R1145 VanDerWaalsContact C-N 3.34Å; A1143-R1145 PolarHBondContact O-N 3.39Å; A1143-F1146 PolarHBondContact O-N 3.04Å; A1143-L1147 WeakPolarHBondContact O-CB 3.4Å; A1143-L1147 PolarHBondContact O-N 3.35Å; A1143-M1163 HydrophobicContact CB-SD 4.09Å; A1143-C1166 HydrophobicContact CB-CB 4.44Å; A1143-I1211 HydrophobicContact CB-CG2 4.13Å |
| 1144 | R | 94.8 | Very high | 86.6 | Confident | 99 Ų | 99 | 76.6 Ų | 76.6 | 37% | 0.374 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 174.5 | -169.1 | 168.4 | -69.7 | 154.1 | 7.2 | 112.2 | I1140 N1142 L1147 N1148 N1206 G1207 I1211 | I1140-R1144 WeakPolarHBondContact O-CB 3.33Å; I1140-R1144 PolarHBondContact O-N 2.76Å; N1142-R1144 PolarHBondContact O-N 3.46Å; R1144-L1147 PolarHBondContact O-N 3.04Å; R1144-N1148 WeakPolarHBondContact O-CB 3.48Å; R1144-N1148 VanDerWaalsContact O-CG 3.27Å; R1144-N1148 PolarHBondContact O-N 2.66Å; R1144-N1148 PolarHBondContact O-OD1 3.49Å; R1144-N1206 PolarHBondContact NH2-O 3.3Å; R1144-G1207 PolarHBondContact NH2-O 2.9Å; R1144-G1207 VanDerWaalsContact NH2-O 3.16Å; R1144-I1211 HydrophobicContact CB-CD1 3.79Å; R1144-I1211 HydrophobicContact CB-CG1 4.29Å |
| 1145 | R | 93.7 | Very high | 86.5 | Confident | 168 Ų | 168 | 70.4 Ų | 70.4 | 63% | 0.634 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62 | -47.2 | 174 | -175.5 | -176.1 | -179 | -170.4 | 1.3 | 111.6 | K1141 N1142 A1143 L1147 N1148 L1149 | K1141-R1145 WeakPolarHBondContact O-CB 3.16Å; K1141-R1145 PolarHBondContact O-N 3.35Å; N1142-R1145 WeakPolarHBondContact O-CB 3.3Å; N1142-R1145 PolarHBondContact O-N 3.26Å; N1142-R1145 VanDerWaalsContact O-N 3.15Å; A1143-R1145 VanDerWaalsContact C-N 3.34Å; A1143-R1145 PolarHBondContact O-N 3.39Å; R1145-L1147 VanDerWaalsContact C-N 3.31Å; R1145-L1147 PolarHBondContact O-N 3.25Å; R1145-N1148 PolarHBondContact O-N 2.89Å; R1145-L1149 HydrophobicContact CG-CD1 4.3Å; R1145-L1149 WeakPolarHBondContact O-CD1 3.5Å; R1145-L1149 PolarHBondContact O-N 3.46Å |
| 1146 | F | 91.2 | Very high | 86.3 | Confident | 41 Ų | 41 | 70.7 Ų | 70.7 | 18% | 0.18 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.3 | -25.9 | -179.2 | -62 | -46.1 | 0 | 0 | 0 | 113.6 | N1142 A1143 R1159 A1162 M1163 | N1142-F1146 HydrophobicContact CB-CD2 4.42Å; N1142-F1146 HydrophobicContact CB-CE2 3.95Å; N1142-F1146 WeakPolarHBondContact O-CD2 3.31Å; N1142-F1146 WeakPolarHBondContact O-CG 3.45Å; N1142-F1146 PolarHBondContact O-N 3.01Å; A1143-F1146 PolarHBondContact O-N 3.04Å; F1146-R1159 VanDerWaalsContact O-CZ 3.3Å; F1146-R1159 PolarHBondContact O-NE 3.38Å; F1146-R1159 PolarHBondContact O-NH2 2.84Å; F1146-A1162 HydrophobicContact CD2-CB 4.19Å; F1146-A1162 HydrophobicContact CE1-CB 4.06Å; F1146-A1162 HydrophobicContact CE2-CB 3.67Å; F1146-A1162 HydrophobicContact CZ-CB 3.6Å; F1146-M1163 HydrophobicContact CB-CE 3.75Å; F1146-M1163 HydrophobicContact CB-SD 4.4Å |
| 1147 | L | 89.1 | Confident | 86 | Confident | 18 Ų | 18 | 76.7 Ų | 76.7 | 9% | 0.094 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -70.6 | -48.7 | 169.9 | -174.4 | 63 | 0 | 0 | 0 | 110.8 | A1143 R1144 R1145 L1149 W1155 R1159 M1163 I1211 N1214 L1215 L1218 | A1143-L1147 WeakPolarHBondContact O-CB 3.4Å; A1143-L1147 PolarHBondContact O-N 3.35Å; R1144-L1147 PolarHBondContact O-N 3.04Å; R1145-L1147 VanDerWaalsContact C-N 3.31Å; R1145-L1147 PolarHBondContact O-N 3.25Å; L1147-L1149 PolarHBondContact O-N 3.38Å; L1147-L1149 VanDerWaalsContact O-N 3.11Å; L1147-W1155 HydrophobicContact CD1-CH2 4.16Å; L1147-W1155 HydrophobicContact CD1-CZ2 4.32Å; L1147-R1159 PolarHBondContact O-NH2 3.37Å; L1147-M1163 HydrophobicContact CB-CE 4.17Å; L1147-I1211 HydrophobicContact CD2-CG2 4.1Å; L1147-N1214 HydrophobicContact CD2-CB 3.78Å; L1147-L1215 HydrophobicContact CD1-CB 4.22Å; L1147-L1215 HydrophobicContact CD1-CD1 4.35Å; L1147-L1218 HydrophobicContact CD1-CD1 4.26Å |
| 1148 | N | 87 | Confident | 86 | Confident | 121 Ų | 121 | 78.9 Ų | 78.9 | 65% | 0.647 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -79.3 | 14.8 | -174.1 | -63.6 | 12.5 | 0 | 0 | 0 | 115.2 | R1144 R1145 | R1144-N1148 WeakPolarHBondContact O-CB 3.48Å; R1144-N1148 VanDerWaalsContact O-CG 3.27Å; R1144-N1148 PolarHBondContact O-N 2.66Å; R1144-N1148 PolarHBondContact O-OD1 3.49Å; R1145-N1148 PolarHBondContact O-N 2.89Å |
| 1149 | L | 85.3 | Confident | 85.9 | Confident | 72 Ų | 72 | 73 Ų | 73 | 38% | 0.377 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -78.8 | 139.9 | 172.3 | -110.6 | 69.7 | 0 | 0 | 0 | 109.8 | R1145 L1147 D1151 R1159 | R1145-L1149 HydrophobicContact CG-CD1 4.3Å; R1145-L1149 WeakPolarHBondContact O-CD1 3.5Å; R1145-L1149 PolarHBondContact O-N 3.46Å; L1147-L1149 PolarHBondContact O-N 3.38Å; L1147-L1149 VanDerWaalsContact O-N 3.11Å; L1149-D1151 PolarHBondContact O-N 3.01Å; L1149-R1159 VanDerWaalsContact CB-CZ 3.42Å; L1149-R1159 PolarHBondContact O-NH1 3.17Å; L1149-R1159 VanDerWaalsContact O-NH1 3.12Å; L1149-R1159 PolarHBondContact O-NH2 3.3Å |
| 1150 | P | 75.9 | Confident | 85.6 | Confident | 100 Ų | 100 | 72.6 Ų | 72.6 | 65% | 0.649 | 38% | 0.384 | S | S | * | . | trans | -53.8 | 138.9 | -177.5 | -28 | 35.3 | 0 | 0 | 0 | 114.1 | T1152 R1159 | P1150-T1152 VanDerWaalsContact C-N 3.3Å; P1150-T1152 PolarHBondContact O-N 3.26Å; P1150-R1159 PolarHBondContact O-NH1 3.11Å | ||
| 1151 | D | 65.9 | Low | 85.6 | Confident | 84 Ų | 84 | 77.1 Ų | 77.1 | 45% | 0.449 | 41% | 0.405 | S | S | . | . | trans | -87.6 | 66.9 | -175.7 | -63.1 | -65.9 | 0 | 0 | 0 | 112.3 | L1149 G1153 W1155 R1159 | L1149-D1151 PolarHBondContact O-N 3.01Å; D1151-G1153 PolarHBondContact O-N 3.1Å; D1151-W1155 PolarHBondContact OD1-NE1 3.4Å; D1151-R1159 IonicContact OD1-CZ 2.93Å; D1151-R1159 IonicContact OD1-NH1 3.54Å; D1151-R1159 IonicContact OD1-NH2 3.29Å | ||
| 1152 | T | 61.4 | Low | 85.5 | Confident | 132 Ų | 132 | 70.8 Ų | 70.8 | 81% | 0.81 | 38% | 0.383 | S | S | * | . | trans | -74.9 | 58.6 | 173.1 | 59.7 | 0 | 0 | 0 | 0 | 111.5 | P1150 | P1150-T1152 VanDerWaalsContact C-N 3.3Å; P1150-T1152 PolarHBondContact O-N 3.26Å | ||
| 1153 | G | 71.4 | Confident | 85.5 | Confident | 34 Ų | 34 | 68.2 Ų | 68.2 | 35% | 0.351 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 76.9 | -161.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1151 W1155 L1229 | D1151-G1153 PolarHBondContact O-N 3.1Å; G1153-W1155 PolarHBondContact O-N 3.4Å; G1153-L1229 VanDerWaalsContact O-CD1 3.24Å; G1153-L1229 WeakPolarHBondContact O-CD1 3.28Å |
| 1154 | P | 78.1 | Confident | 85.6 | Confident | 75 Ų | 75 | 69.1 Ų | 69.1 | 49% | 0.487 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -52.4 | 135.3 | -177.3 | -27.8 | 36 | 0 | 0 | 0 | 113.1 | V1156 K1227 | P1154-V1156 PolarHBondContact O-N 2.94Å; P1154-K1227 HydrophobicContact CG-CB 4.14Å |
| 1155 | W | 84.4 | Confident | 85.6 | Confident | 14 Ų | 14 | 71.7 Ų | 71.7 | 5% | 0.053 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 126.6 | -176.5 | -76.4 | 18.4 | 0 | 0 | 0 | 111.4 | L1147 D1151 G1153 R1159 V1160 M1163 L1215 L1218 L1229 V1230 | L1147-W1155 HydrophobicContact CD1-CH2 4.16Å; L1147-W1155 HydrophobicContact CD1-CZ2 4.32Å; D1151-W1155 PolarHBondContact OD1-NE1 3.4Å; G1153-W1155 PolarHBondContact O-N 3.4Å; W1155-R1159 HydrophobicContact CD2-CG 4.16Å; W1155-R1159 VanDerWaalsContact CE2-NH2 3.34Å; W1155-R1159 HydrophobicContact CE3-CG 3.87Å; W1155-R1159 HydrophobicContact CZ3-CG 4.39Å; W1155-R1159 VanDerWaalsContact NE1-CZ 3.29Å; W1155-V1160 HydrophobicContact CB-CG2 3.73Å; W1155-M1163 HydrophobicContact CH2-CE 3.81Å; W1155-M1163 HydrophobicContact CZ3-CB 4.47Å; W1155-M1163 HydrophobicContact CZ3-CE 3.85Å; W1155-M1163 HydrophobicContact CZ3-CG 4.43Å; W1155-L1215 HydrophobicContact CH2-CD1 3.81Å; W1155-L1215 HydrophobicContact CZ3-CD1 4.17Å; W1155-L1218 HydrophobicContact CH2-CD1 4.26Å; W1155-L1218 HydrophobicContact CZ2-CD1 3.65Å; W1155-L1229 PolarHBondContact N-O 3.37Å; W1155-V1230 HydrophobicContact CD2-CG2 3.69Å; W1155-V1230 HydrophobicContact CE3-CG1 4.09Å; W1155-V1230 HydrophobicContact CE3-CG2 3.95Å; W1155-V1230 HydrophobicContact CG-CG2 4.12Å; W1155-V1230 HydrophobicContact CH2-CG2 4.37Å; W1155-V1230 HydrophobicContact CZ2-CG2 4.13Å; W1155-V1230 HydrophobicContact CZ3-CG1 4.36Å; W1155-V1230 HydrophobicContact CZ3-CG2 4.28Å |
| 1156 | V | 87.1 | Confident | 85.7 | Confident | 94 Ų | 94 | 64.1 Ų | 64.1 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 140.2 | 175.2 | -65.6 | 0 | 0 | 0 | 0 | 111 | P1154 T1158 R1159 V1160 | P1154-V1156 PolarHBondContact O-N 2.94Å; V1156-T1158 PolarHBondContact O-N 3.4Å; V1156-R1159 HydrophobicContact CG2-CB 3.74Å; V1156-R1159 WeakPolarHBondContact O-CA 3.37Å; V1156-R1159 WeakPolarHBondContact O-CB 3.1Å; V1156-R1159 PolarHBondContact O-N 3.1Å; V1156-V1160 PolarHBondContact O-N 3.11Å; V1156-V1160 VanDerWaalsContact O-N 3.12Å |
| 1157 | I | 85.8 | Confident | 85.9 | Confident | 125 Ų | 125 | 62.2 Ų | 62.2 | 64% | 0.641 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -54.8 | -32.2 | -172.1 | -62.5 | 170.5 | 0 | 0 | 0 | 112.1 | V1160 Q1161 | I1157-V1160 PolarHBondContact O-N 2.67Å; I1157-Q1161 HydrophobicContact CG2-CG 4.18Å; I1157-Q1161 WeakPolarHBondContact O-CB 3.19Å; I1157-Q1161 WeakPolarHBondContact O-CG 3.36Å; I1157-Q1161 PolarHBondContact O-N 3.08Å |
| 1158 | T | 89 | Confident | 86.1 | Confident | 103 Ų | 103 | 64.9 Ų | 64.9 | 63% | 0.632 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -66.2 | -39.1 | 174.5 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | V1156 A1162 | V1156-T1158 PolarHBondContact O-N 3.4Å; T1158-A1162 WeakPolarHBondContact O-CB 3.36Å; T1158-A1162 PolarHBondContact O-N 3.4Å |
| 1159 | R | 91.6 | Very high | 86.4 | Confident | 17 Ų | 17 | 60 Ų | 60 | 6% | 0.064 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 172.6 | -178.4 | -178.7 | 179.4 | 178.2 | -1.1 | 110.3 | F1146 L1147 L1149 P1150 D1151 W1155 V1156 A1162 M1163 | F1146-R1159 VanDerWaalsContact O-CZ 3.3Å; F1146-R1159 PolarHBondContact O-NE 3.38Å; F1146-R1159 PolarHBondContact O-NH2 2.84Å; L1147-R1159 PolarHBondContact O-NH2 3.37Å; L1149-R1159 VanDerWaalsContact CB-CZ 3.42Å; L1149-R1159 PolarHBondContact O-NH1 3.17Å; L1149-R1159 VanDerWaalsContact O-NH1 3.12Å; L1149-R1159 PolarHBondContact O-NH2 3.3Å; P1150-R1159 PolarHBondContact O-NH1 3.11Å; D1151-R1159 IonicContact OD1-CZ 2.93Å; D1151-R1159 IonicContact OD1-NH1 3.54Å; D1151-R1159 IonicContact OD1-NH2 3.29Å; W1155-R1159 HydrophobicContact CD2-CG 4.16Å; W1155-R1159 VanDerWaalsContact CE2-NH2 3.34Å; W1155-R1159 HydrophobicContact CE3-CG 3.87Å; W1155-R1159 HydrophobicContact CZ3-CG 4.39Å; W1155-R1159 VanDerWaalsContact NE1-CZ 3.29Å; V1156-R1159 HydrophobicContact CG2-CB 3.74Å; V1156-R1159 WeakPolarHBondContact O-CA 3.37Å; V1156-R1159 WeakPolarHBondContact O-CB 3.1Å; V1156-R1159 PolarHBondContact O-N 3.1Å; R1159-A1162 PolarHBondContact O-N 3.43Å; R1159-M1163 WeakPolarHBondContact O-CB 3.32Å; R1159-M1163 PolarHBondContact O-N 2.73Å |
| 1160 | V | 90.6 | Very high | 86.8 | Confident | 8 Ų | 8 | 56.5 Ų | 56.5 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.2 | -56 | 177.1 | -178.7 | 0 | 0 | 0 | 0 | 111 | W1155 V1156 I1157 A1162 M1163 E1164 P1231 T1234 | W1155-V1160 HydrophobicContact CB-CG2 3.73Å; V1156-V1160 PolarHBondContact O-N 3.11Å; V1156-V1160 VanDerWaalsContact O-N 3.12Å; I1157-V1160 PolarHBondContact O-N 2.67Å; V1160-A1162 VanDerWaalsContact C-N 3.28Å; V1160-A1162 PolarHBondContact O-N 2.91Å; V1160-M1163 WeakPolarHBondContact O-CB 3.46Å; V1160-M1163 PolarHBondContact O-N 2.94Å; V1160-M1163 VanDerWaalsContact O-N 3.1Å; V1160-E1164 HydrophobicContact CG1-CG 4.5Å; V1160-E1164 PolarHBondContact O-N 3.15Å; V1160-P1231 HydrophobicContact CG1-CB 4.43Å; V1160-P1231 HydrophobicContact CG1-CG 3.94Å; V1160-P1231 HydrophobicContact CG2-CG 4.1Å; V1160-T1234 VanDerWaalsContact CG1-OG1 3.29Å; V1160-T1234 WeakPolarHBondContact CG1-OG1 3.45Å |
| 1161 | Q | 92 | Very high | 87.5 | Confident | 101 Ų | 101 | 53.4 Ų | 53.4 | 47% | 0.472 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -33.2 | -179.6 | -71.5 | 179.9 | 4.2 | 0 | 0 | 112.9 | I1157 K1165 | I1157-Q1161 HydrophobicContact CG2-CG 4.18Å; I1157-Q1161 WeakPolarHBondContact O-CB 3.19Å; I1157-Q1161 WeakPolarHBondContact O-CG 3.36Å; I1157-Q1161 PolarHBondContact O-N 3.08Å; Q1161-K1165 WeakPolarHBondContact O-CB 3.22Å; Q1161-K1165 VanDerWaalsContact O-CG 3.26Å; Q1161-K1165 WeakPolarHBondContact O-CG 3.04Å; Q1161-K1165 PolarHBondContact O-N 3.29Å |
| 1162 | A | 92.9 | Very high | 88.5 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 22% | 0.223 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.1 | -39.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1146 T1158 R1159 V1160 C1166 | F1146-A1162 HydrophobicContact CD2-CB 4.19Å; F1146-A1162 HydrophobicContact CE1-CB 4.06Å; F1146-A1162 HydrophobicContact CE2-CB 3.67Å; F1146-A1162 HydrophobicContact CZ-CB 3.6Å; T1158-A1162 WeakPolarHBondContact O-CB 3.36Å; T1158-A1162 PolarHBondContact O-N 3.4Å; R1159-A1162 PolarHBondContact O-N 3.43Å; V1160-A1162 VanDerWaalsContact C-N 3.28Å; V1160-A1162 PolarHBondContact O-N 2.91Å; A1162-C1166 PolarHBondContact O-N 3.21Å; A1162-C1166 VanDerWaalsContact O-N 3.11Å; A1162-C1166 PolarHBondContact O-SG 3.19Å |
| 1163 | M | 94.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.9 | -50.7 | 172.1 | -174.6 | 66.9 | 88.5 | 0 | 0 | 111.1 | A1143 F1146 L1147 W1155 R1159 V1160 K1165 C1166 L1167 L1215 T1234 | A1143-M1163 HydrophobicContact CB-SD 4.09Å; F1146-M1163 HydrophobicContact CB-CE 3.75Å; F1146-M1163 HydrophobicContact CB-SD 4.4Å; L1147-M1163 HydrophobicContact CB-CE 4.17Å; W1155-M1163 HydrophobicContact CH2-CE 3.81Å; W1155-M1163 HydrophobicContact CZ3-CB 4.47Å; W1155-M1163 HydrophobicContact CZ3-CE 3.85Å; W1155-M1163 HydrophobicContact CZ3-CG 4.43Å; R1159-M1163 WeakPolarHBondContact O-CB 3.32Å; R1159-M1163 PolarHBondContact O-N 2.73Å; V1160-M1163 WeakPolarHBondContact O-CB 3.46Å; V1160-M1163 PolarHBondContact O-N 2.94Å; V1160-M1163 VanDerWaalsContact O-N 3.1Å; M1163-K1165 VanDerWaalsContact C-N 3.29Å; M1163-K1165 PolarHBondContact O-N 3.07Å; M1163-C1166 WeakPolarHBondContact O-CB 3.29Å; M1163-C1166 PolarHBondContact O-N 3.02Å; M1163-L1167 HydrophobicContact CG-CD1 3.92Å; M1163-L1167 HydrophobicContact CG-CG 4.25Å; M1163-L1167 WeakPolarHBondContact O-CG 3.28Å; M1163-L1167 PolarHBondContact O-N 3.42Å; M1163-L1167 HydrophobicContact SD-CD1 4.45Å; M1163-L1167 HydrophobicContact SD-CG 4.32Å; M1163-L1215 HydrophobicContact CE-CD2 4.47Å; M1163-L1215 HydrophobicContact CG-CD2 4.28Å; M1163-L1215 HydrophobicContact SD-CD2 4.42Å; M1163-T1234 HydrophobicContact CB-CG2 4.45Å; M1163-T1234 HydrophobicContact CG-CG2 4.01Å |
| 1164 | E | 96.3 | Very high | 90.2 | Very high | 19 Ų | 19 | 51.5 Ų | 51.5 | 9% | 0.089 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.1 | -40.1 | 179 | -69.3 | -167.6 | 160.2 | 0 | 0 | 112.4 | V1160 L1167 N1168 K1233 T1234 I1237 | V1160-E1164 HydrophobicContact CG1-CG 4.5Å; V1160-E1164 PolarHBondContact O-N 3.15Å; E1164-L1167 PolarHBondContact O-N 3.03Å; E1164-N1168 WeakPolarHBondContact O-CB 3.42Å; E1164-N1168 PolarHBondContact O-N 2.99Å; E1164-N1168 PolarHBondContact O-ND2 3.01Å; E1164-K1233 WeakPolarHBondContact OE1-CD 3.37Å; E1164-K1233 WeakPolarHBondContact OE1-CG 3.44Å; E1164-K1233 IonicContact OE1-NZ 3.98Å; E1164-K1233 WeakPolarHBondContact OE2-CE 3.25Å; E1164-K1233 IonicContact OE2-NZ 3.68Å; E1164-K1233 PolarHBondContact OE2-NZ 3.34Å; E1164-T1234 HydrophobicContact CG-CG2 4.03Å; E1164-T1234 VanDerWaalsContact CG-OG1 3.27Å; E1164-T1234 WeakPolarHBondContact CG-OG1 3.26Å; E1164-T1234 PolarHBondContact OE1-N 3.47Å; E1164-T1234 PolarHBondContact OE1-OG1 3.39Å; E1164-I1237 HydrophobicContact CB-CD1 4.13Å; E1164-I1237 HydrophobicContact CG-CD1 3.83Å |
| 1165 | K | 94.5 | Very high | 90.2 | Very high | 153 Ų | 153 | 49.5 Ų | 49.5 | 67% | 0.665 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.3 | -39 | 173.9 | -76.2 | 172.1 | 179.9 | 177.6 | 0 | 112.3 | Q1161 M1163 G1169 | Q1161-K1165 WeakPolarHBondContact O-CB 3.22Å; Q1161-K1165 VanDerWaalsContact O-CG 3.26Å; Q1161-K1165 WeakPolarHBondContact O-CG 3.04Å; Q1161-K1165 PolarHBondContact O-N 3.29Å; M1163-K1165 VanDerWaalsContact C-N 3.29Å; M1163-K1165 PolarHBondContact O-N 3.07Å; K1165-G1169 PolarHBondContact O-N 3.38Å |
| 1166 | C | 95.9 | Very high | 89.3 | Confident | 9 Ų | 9 | 54.2 Ų | 54.2 | 6% | 0.061 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.2 | -44.4 | 176.8 | -65.5 | 0 | 0 | 0 | 0 | 112.2 | A1143 A1162 M1163 G1169 L1170 | A1143-C1166 HydrophobicContact CB-CB 4.44Å; A1162-C1166 PolarHBondContact O-N 3.21Å; A1162-C1166 VanDerWaalsContact O-N 3.11Å; A1162-C1166 PolarHBondContact O-SG 3.19Å; M1163-C1166 WeakPolarHBondContact O-CB 3.29Å; M1163-C1166 PolarHBondContact O-N 3.02Å; C1166-G1169 PolarHBondContact O-N 3.15Å; C1166-L1170 WeakPolarHBondContact O-CG 3.19Å; C1166-L1170 PolarHBondContact O-N 3.2Å |
| 1167 | L | 95.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.6 | -43.2 | -179.9 | -62.5 | 173.3 | 0 | 0 | 0 | 112.1 | M1163 E1164 G1169 L1170 L1171 L1212 L1215 T1234 I1237 A1238 L1241 | M1163-L1167 HydrophobicContact CG-CD1 3.92Å; M1163-L1167 HydrophobicContact CG-CG 4.25Å; M1163-L1167 WeakPolarHBondContact O-CG 3.28Å; M1163-L1167 PolarHBondContact O-N 3.42Å; M1163-L1167 HydrophobicContact SD-CD1 4.45Å; M1163-L1167 HydrophobicContact SD-CG 4.32Å; E1164-L1167 PolarHBondContact O-N 3.03Å; L1167-G1169 VanDerWaalsContact C-N 3.32Å; L1167-G1169 PolarHBondContact O-N 2.88Å; L1167-L1170 PolarHBondContact O-N 3.01Å; L1167-L1171 WeakPolarHBondContact O-CB 3.38Å; L1167-L1171 PolarHBondContact O-N 3.41Å; L1167-L1212 HydrophobicContact CD2-CD2 3.63Å; L1167-L1215 HydrophobicContact CD1-CD2 3.89Å; L1167-T1234 HydrophobicContact CD1-CG2 4.28Å; L1167-I1237 HydrophobicContact CB-CG2 3.58Å; L1167-I1237 HydrophobicContact CD1-CG2 4.25Å; L1167-A1238 HydrophobicContact CD1-CB 4.28Å; L1167-L1241 HydrophobicContact CB-CD2 4.41Å; L1167-L1241 HydrophobicContact CD2-CD2 4.07Å |
| 1168 | N | 93.5 | Very high | 85.3 | Confident | 74 Ų | 74 | 56 Ų | 56 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.5 | -33.5 | 174.5 | -76.4 | -79.7 | 0 | 0 | 0 | 112.3 | E1164 L1170 L1171 R1172 | E1164-N1168 WeakPolarHBondContact O-CB 3.42Å; E1164-N1168 PolarHBondContact O-N 2.99Å; E1164-N1168 PolarHBondContact O-ND2 3.01Å; N1168-L1170 VanDerWaalsContact C-N 3.35Å; N1168-L1171 PolarHBondContact O-N 3.35Å; N1168-R1172 WeakPolarHBondContact O-CB 3.46Å; N1168-R1172 PolarHBondContact O-N 3.4Å |
| 1169 | G | 92.4 | Very high | 82.7 | Confident | 18 Ų | 18 | 55.2 Ų | 55.2 | 19% | 0.186 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K1165 C1166 L1167 C1173 | K1165-G1169 PolarHBondContact O-N 3.38Å; C1166-G1169 PolarHBondContact O-N 3.15Å; L1167-G1169 VanDerWaalsContact C-N 3.32Å; L1167-G1169 PolarHBondContact O-N 2.88Å; G1169-C1173 PolarHBondContact O-N 3.33Å; G1169-C1173 PolarHBondContact O-SG 3.27Å |
| 1170 | L | 93.2 | Very high | 79.8 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.2 | -43.8 | 175.5 | -69.5 | 166.7 | 0 | 0 | 0 | 112 | L1136 L1139 I1140 C1166 L1167 N1168 R1172 C1173 I1174 L1208 L1241 | L1136-L1170 HydrophobicContact CD2-CD2 3.92Å; L1139-L1170 HydrophobicContact CB-CD1 4.36Å; L1139-L1170 HydrophobicContact CB-CD2 3.71Å; L1139-L1170 HydrophobicContact CB-CG 3.86Å; L1139-L1170 HydrophobicContact CD1-CD2 3.98Å; L1139-L1170 HydrophobicContact CD1-CG 4.1Å; I1140-L1170 HydrophobicContact CG1-CD1 4.35Å; I1140-L1170 HydrophobicContact CG1-CD2 3.95Å; C1166-L1170 WeakPolarHBondContact O-CG 3.19Å; C1166-L1170 PolarHBondContact O-N 3.2Å; L1167-L1170 PolarHBondContact O-N 3.01Å; N1168-L1170 VanDerWaalsContact C-N 3.35Å; L1170-R1172 VanDerWaalsContact C-N 3.31Å; L1170-R1172 PolarHBondContact O-N 3.13Å; L1170-C1173 PolarHBondContact O-N 3.11Å; L1170-I1174 WeakPolarHBondContact O-CG1 3.48Å; L1170-I1174 PolarHBondContact O-N 3.16Å; L1170-L1208 HydrophobicContact CD1-CD1 3.65Å; L1170-L1208 HydrophobicContact CD1-CD2 3.99Å; L1170-L1208 HydrophobicContact CD1-CG 4.5Å; L1170-L1208 HydrophobicContact CD2-CD2 4.43Å; L1170-L1241 HydrophobicContact CB-CD1 4.44Å; L1170-L1241 HydrophobicContact CB-CD2 3.85Å; L1170-L1241 HydrophobicContact CD1-CD2 4.4Å |
| 1171 | L | 90.9 | Very high | 76.8 | Confident | 35 Ų | 35 | 68.7 Ų | 68.7 | 18% | 0.183 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.2 | -42.2 | 177.2 | -173.8 | 62.9 | 0 | 0 | 0 | 112 | L1167 N1168 C1173 I1174 S1175 L1241 T1244 | L1167-L1171 WeakPolarHBondContact O-CB 3.38Å; L1167-L1171 PolarHBondContact O-N 3.41Å; N1168-L1171 PolarHBondContact O-N 3.35Å; L1171-C1173 VanDerWaalsContact C-N 3.27Å; L1171-C1173 PolarHBondContact O-N 2.88Å; L1171-I1174 PolarHBondContact O-N 2.94Å; L1171-S1175 WeakPolarHBondContact CD1-OG 3.45Å; L1171-S1175 WeakPolarHBondContact O-CB 3.29Å; L1171-S1175 PolarHBondContact O-N 3.06Å; L1171-S1175 PolarHBondContact O-OG 3.11Å; L1171-L1241 HydrophobicContact CB-CD1 4.1Å; L1171-L1241 HydrophobicContact CD1-CB 4.44Å; L1171-L1241 HydrophobicContact CD1-CD1 3.98Å; L1171-T1244 HydrophobicContact CD1-CG2 4.4Å |
| 1172 | R | 87.5 | Confident | 73.7 | Confident | 195 Ų | 195 | 72.1 Ų | 72.1 | 74% | 0.736 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.7 | -26.1 | 175.4 | 171.9 | 172.1 | -87 | -160.2 | -7.6 | 114 | N1168 L1170 | N1168-R1172 WeakPolarHBondContact O-CB 3.46Å; N1168-R1172 PolarHBondContact O-N 3.4Å; L1170-R1172 VanDerWaalsContact C-N 3.31Å; L1170-R1172 PolarHBondContact O-N 3.13Å |
| 1173 | C | 85.2 | Confident | 70.7 | Confident | 13 Ų | 13 | 77.2 Ų | 77.2 | 9% | 0.088 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -87.5 | -13.8 | 177.7 | -55.2 | 0 | 0 | 0 | 0 | 113.1 | L1136 G1169 L1170 L1171 | L1136-C1173 HydrophobicContact CD2-CB 3.63Å; G1169-C1173 PolarHBondContact O-N 3.33Å; G1169-C1173 PolarHBondContact O-SG 3.27Å; L1170-C1173 PolarHBondContact O-N 3.11Å; L1171-C1173 VanDerWaalsContact C-N 3.27Å; L1171-C1173 PolarHBondContact O-N 2.88Å |
| 1174 | I | 82.5 | Confident | 67.7 | Low | 1 Ų | 1 | 84.5 Ų | 84.5 | 1% | 0.005 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -111.3 | -29 | -171 | -69.4 | 170.7 | 0 | 0 | 0 | 112.3 | L1170 L1171 Q1200 C1203 L1208 L1241 T1244 I1245 | L1170-I1174 WeakPolarHBondContact O-CG1 3.48Å; L1170-I1174 PolarHBondContact O-N 3.16Å; L1171-I1174 PolarHBondContact O-N 2.94Å; I1174-Q1200 HydrophobicContact CG1-CG 4.48Å; I1174-Q1200 HydrophobicContact CG2-CG 3.78Å; I1174-C1203 HydrophobicContact CD1-CB 4.24Å; I1174-L1208 HydrophobicContact CD1-CD2 4.31Å; I1174-L1241 HydrophobicContact CD1-CD1 4.13Å; I1174-T1244 HydrophobicContact CG2-CG2 3.94Å; I1174-I1245 HydrophobicContact CD1-CD1 3.99Å; I1174-I1245 HydrophobicContact CD1-CG1 4Å; I1174-I1245 HydrophobicContact CG2-CG1 3.99Å |
| 1175 | S | 79.6 | Confident | 64.4 | Low | 34 Ų | 34 | 92 Ų | 92 | 24% | 0.238 | 48% | 0.475 | C | S | . | . | trans | -80.3 | 140 | 178.6 | -67.9 | 0 | 0 | 0 | 0 | 112.7 | L1171 D1177 | L1171-S1175 WeakPolarHBondContact CD1-OG 3.45Å; L1171-S1175 WeakPolarHBondContact O-CB 3.29Å; L1171-S1175 PolarHBondContact O-N 3.06Å; L1171-S1175 PolarHBondContact O-OG 3.11Å; S1175-D1177 PolarHBondContact O-N 2.89Å | ||
| 1176 | N | 64.3 | Low | 61.5 | Low | 113 Ų | 113 | 88.6 Ų | 88.6 | 60% | 0.604 | 47% | 0.47 | S | S | * | . | trans | -74 | -1.9 | 176.7 | -65 | 9.3 | 0 | 0 | 0 | 114.6 | Q1178 N1196 | N1176-Q1178 PolarHBondContact O-N 3.01Å; N1176-Q1178 VanDerWaalsContact O-N 3.09Å; N1176-N1196 PolarHBondContact OD1-ND2 3.31Å | ||
| 1177 | D | 49 | Very low | 58.5 | Low | 121 Ų | 121 | 96.1 Ų | 96.1 | 65% | 0.647 | 51% | 0.51 | S | S | * | . | trans | -86.5 | 83.2 | -169 | -169.4 | 12.4 | 0 | 0 | 0 | 113.3 | S1175 S1179 | S1175-D1177 PolarHBondContact O-N 2.89Å; D1177-S1179 WeakPolarHBondContact OD1-CB 3.21Å; D1177-S1179 PolarHBondContact OD1-N 2.88Å; D1177-S1179 PolarHBondContact OD1-OG 3.24Å | ||
| 1178 | Q | 40.6 | Very low | 55.6 | Low | 134 Ų | 134 | 100 Ų | 100 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | trans | -109.8 | 28.5 | 169.3 | -72.9 | -86.2 | 40 | 0 | 0 | 111.7 | N1176 K1180 | N1176-Q1178 PolarHBondContact O-N 3.01Å; N1176-Q1178 VanDerWaalsContact O-N 3.09Å; Q1178-K1180 PolarHBondContact O-N 3.35Å | ||
| 1179 | S | 34.6 | Very low | 52.8 | Low | 88 Ų | 88 | 103.7 Ų | 103.7 | 62% | 0.615 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 6 | -166.1 | 60.9 | 0 | 0 | 0 | 0 | 117.1 | D1177 | D1177-S1179 WeakPolarHBondContact OD1-CB 3.21Å; D1177-S1179 PolarHBondContact OD1-N 2.88Å; D1177-S1179 PolarHBondContact OD1-OG 3.24Å |
| 1180 | K | 29.7 | Very low | 50.2 | Low | 194 Ų | 194 | 109.6 Ų | 109.6 | 84% | 0.843 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.1 | 21.4 | -164.9 | -71.8 | -176 | 179.7 | 169 | 0 | 117.1 | Q1178 | Q1178-K1180 PolarHBondContact O-N 3.35Š|
| 1181 | T | 27.9 | Very low | 47.9 | Very low | 113 Ų | 113 | 115.9 Ų | 115.9 | 69% | 0.693 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -115.5 | 122.3 | 168.2 | 47.9 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1182 | H | 26.9 | Very low | 45.7 | Very low | 174 Ų | 174 | 117.4 Ų | 117.4 | 81% | 0.806 | 62% | 0.616 | S | S | * | * | trans | -14.3 | 127.2 | -178.5 | -78.8 | -93.7 | 0 | 0 | 0 | 118 | I1184 | H1182-I1184 PolarHBondContact O-N 2.96Š| ||
| 1183 | P | 29.2 | Very low | 44.1 | Very low | 133 Ų | 133 | 114.4 Ų | 114.4 | 86% | 0.864 | 61% | 0.61 | S | S | * | * | trans | -67.8 | 119.1 | 174.5 | 28.9 | -33.9 | 0 | 0 | 0 | 111.2 | ||||
| 1184 | I | 31.7 | Very low | 42.7 | Very low | 153 Ų | 153 | 116.5 Ų | 116.5 | 79% | 0.785 | 63% | 0.625 | S | S | * | * | trans | -125.8 | 130.3 | 163.5 | -60.8 | 179.6 | 0 | 0 | 0 | 106.4 | H1182 S1186 | H1182-I1184 PolarHBondContact O-N 2.96Å; I1184-S1186 PolarHBondContact O-N 3.4Å | ||
| 1185 | L | 28.6 | Very low | 41.6 | Very low | 178 Ų | 178 | 118.2 Ų | 118.2 | 93% | 0.932 | 64% | 0.635 | S | S | * | * | trans | -60.1 | 120.5 | -169 | -66.1 | 156.6 | 0 | 0 | 0 | 113.1 | ||||
| 1186 | S | 32 | Very low | 41.3 | Very low | 80 Ų | 80 | 118.1 Ų | 118.1 | 56% | 0.559 | 63% | 0.632 | S | S | * | * | trans | -172.2 | 145.4 | 152.2 | 49.9 | 0 | 0 | 0 | 0 | 110.9 | I1184 N1188 | I1184-S1186 PolarHBondContact O-N 3.4Å; S1186-N1188 VanDerWaalsContact C-N 3.27Å; S1186-N1188 PolarHBondContact O-N 2.94Å; S1186-N1188 PolarHBondContact OG-ND2 3.04Å | ||
| 1187 | D | 32.7 | Very low | 42 | Very low | 168 Ų | 168 | 116.7 Ų | 116.7 | 90% | 0.898 | 62% | 0.624 | S | S | * | * | trans | -81.5 | 47.4 | -162.5 | -51.8 | -86.6 | 0 | 0 | 0 | 115.3 | ||||
| 1188 | N | 35.1 | Very low | 43.5 | Very low | 80 Ų | 80 | 111.9 Ų | 111.9 | 43% | 0.428 | 60% | 0.6 | S | S | . | * | trans | -97.4 | 16.9 | -165.9 | -71.9 | -44 | 0 | 0 | 0 | 116.6 | S1186 N1190 S1192 | S1186-N1188 VanDerWaalsContact C-N 3.27Å; S1186-N1188 PolarHBondContact O-N 2.94Å; S1186-N1188 PolarHBondContact OG-ND2 3.04Å; N1188-N1190 PolarHBondContact O-N 2.87Å; N1188-S1192 PolarHBondContact O-N 3.43Å; N1188-S1192 PolarHBondContact O-OG 3.44Å | ||
| 1189 | E | 36.2 | Very low | 45.6 | Very low | 152 Ų | 152 | 105.5 Ų | 105.5 | 71% | 0.71 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -55.3 | -51.9 | 177 | -77.3 | -75 | 124.5 | 0 | 0 | 112.1 | Q1191 S1192 | E1189-Q1191 PolarHBondContact O-N 2.71Å; E1189-S1192 WeakPolarHBondContact O-CB 3.48Å; E1189-S1192 PolarHBondContact O-N 2.9Å |
| 1190 | N | 36.9 | Very low | 48 | Very low | 142 Ų | 142 | 101.6 Ų | 101.6 | 76% | 0.759 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.8 | -39.8 | -174.6 | -69.7 | -9.1 | 0 | 0 | 0 | 112.8 | N1188 S1192 | N1188-N1190 PolarHBondContact O-N 2.87Å; N1190-S1192 VanDerWaalsContact C-N 3.29Å; N1190-S1192 PolarHBondContact O-N 3.46Å |
| 1191 | Q | 44.9 | Very low | 50.5 | Low | 132 Ų | 132 | 96.3 Ų | 96.3 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.3 | -34.5 | -179.8 | -162.8 | 171 | 81.8 | 0 | 0 | 110.8 | E1189 Q1193 S1194 V1195 | E1189-Q1191 PolarHBondContact O-N 2.71Å; Q1191-Q1193 PolarHBondContact O-N 3.34Å; Q1191-S1194 PolarHBondContact O-N 3.04Å; Q1191-S1194 PolarHBondContact O-OG 2.92Å; Q1191-V1195 PolarHBondContact O-N 3.48Å |
| 1192 | S | 44.6 | Very low | 53.2 | Low | 68 Ų | 68 | 91 Ų | 91 | 48% | 0.476 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.8 | -39.2 | -179.4 | -58.7 | 0 | 0 | 0 | 0 | 113.2 | N1188 E1189 N1190 N1196 | N1188-S1192 PolarHBondContact O-N 3.43Å; N1188-S1192 PolarHBondContact O-OG 3.44Å; E1189-S1192 WeakPolarHBondContact O-CB 3.48Å; E1189-S1192 PolarHBondContact O-N 2.9Å; N1190-S1192 VanDerWaalsContact C-N 3.29Å; N1190-S1192 PolarHBondContact O-N 3.46Å; S1192-N1196 PolarHBondContact O-N 3Å |
| 1193 | Q | 53.1 | Low | 56.1 | Low | 131 Ų | 131 | 82.7 Ų | 82.7 | 61% | 0.612 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -67.2 | -38.6 | 176.7 | -65.5 | -168.1 | 9 | 0 | 0 | 112.8 | Q1191 V1195 N1196 L1197 | Q1191-Q1193 PolarHBondContact O-N 3.34Å; Q1193-V1195 VanDerWaalsContact C-N 3.35Å; Q1193-V1195 PolarHBondContact O-N 3.47Å; Q1193-N1196 PolarHBondContact O-N 3.42Å; Q1193-L1197 PolarHBondContact O-N 3.09Å |
| 1194 | S | 56.4 | Low | 58.7 | Low | 58 Ų | 58 | 77.4 Ų | 77.4 | 41% | 0.406 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63 | -38.9 | 178.6 | 70.5 | 0 | 0 | 0 | 0 | 113 | Q1191 L1197 S1198 | Q1191-S1194 PolarHBondContact O-N 3.04Å; Q1191-S1194 PolarHBondContact O-OG 2.92Å; S1194-L1197 PolarHBondContact O-N 3.05Å; S1194-S1198 PolarHBondContact O-N 3.24Å; S1194-S1198 VanDerWaalsContact O-N 3.14Å |
| 1195 | V | 60.4 | Low | 61.1 | Low | 37 Ų | 37 | 71.9 Ų | 71.9 | 22% | 0.224 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.6 | -48.7 | 180 | 171.6 | 0 | 0 | 0 | 0 | 110.1 | P1131 Q1191 Q1193 L1197 S1198 D1199 | P1131-V1195 HydrophobicContact CG-CG1 3.8Å; P1131-V1195 HydrophobicContact CG-CG2 4.22Å; Q1191-V1195 PolarHBondContact O-N 3.48Å; Q1193-V1195 VanDerWaalsContact C-N 3.35Å; Q1193-V1195 PolarHBondContact O-N 3.47Å; V1195-L1197 VanDerWaalsContact C-N 3.32Å; V1195-L1197 PolarHBondContact O-N 3.13Å; V1195-S1198 PolarHBondContact O-N 2.83Å; V1195-S1198 VanDerWaalsContact O-N 3.13Å; V1195-S1198 PolarHBondContact O-OG 2.82Å; V1195-D1199 PolarHBondContact O-N 3.3Å |
| 1196 | N | 73.3 | Confident | 63.8 | Low | 31 Ų | 31 | 65.2 Ų | 65.2 | 17% | 0.166 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.3 | -37.8 | -178.2 | -70.5 | 6 | 0 | 0 | 0 | 112.7 | N1176 S1192 Q1193 D1199 Q1200 | N1176-N1196 PolarHBondContact OD1-ND2 3.31Å; S1192-N1196 PolarHBondContact O-N 3Å; Q1193-N1196 PolarHBondContact O-N 3.42Å; N1196-D1199 PolarHBondContact O-N 2.76Å; N1196-Q1200 VanDerWaalsContact O-CG 3.24Å; N1196-Q1200 WeakPolarHBondContact O-CG 3.37Å; N1196-Q1200 PolarHBondContact O-N 3.49Å; N1196-Q1200 PolarHBondContact O-NE2 3.14Å |
| 1197 | L | 77.4 | Confident | 66.4 | Low | 84 Ų | 84 | 62.3 Ų | 62.3 | 44% | 0.44 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 176 | -173.4 | 65.2 | 0 | 0 | 0 | 111.8 | Q1193 S1194 V1195 Q1200 Q1201 | Q1193-L1197 PolarHBondContact O-N 3.09Å; S1194-L1197 PolarHBondContact O-N 3.05Å; V1195-L1197 VanDerWaalsContact C-N 3.32Å; V1195-L1197 PolarHBondContact O-N 3.13Å; L1197-Q1200 PolarHBondContact O-N 3.37Å; L1197-Q1201 WeakPolarHBondContact O-CG 3.28Å; L1197-Q1201 PolarHBondContact O-N 3.15Å; L1197-Q1201 VanDerWaalsContact O-N 3.1Å |
| 1198 | S | 80.6 | Confident | 69.2 | Low | 19 Ų | 19 | 54.3 Ų | 54.3 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 176 | 73.2 | 0 | 0 | 0 | 0 | 112.3 | S1130 S1194 V1195 Q1200 Q1201 V1202 | S1130-S1198 WeakPolarHBondContact CB-OG 3.39Å; S1194-S1198 PolarHBondContact O-N 3.24Å; S1194-S1198 VanDerWaalsContact O-N 3.14Å; V1195-S1198 PolarHBondContact O-N 2.83Å; V1195-S1198 VanDerWaalsContact O-N 3.13Å; V1195-S1198 PolarHBondContact O-OG 2.82Å; S1198-Q1200 PolarHBondContact O-N 3.4Å; S1198-Q1201 PolarHBondContact O-N 2.87Å; S1198-V1202 WeakPolarHBondContact O-CG2 3.24Å; S1198-V1202 PolarHBondContact O-N 3.08Å |
| 1199 | D | 85.8 | Confident | 71.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 175.3 | -87.4 | 10.4 | 0 | 0 | 0 | 112.1 | S1130 N1132 L1136 V1195 N1196 V1202 C1203 | S1130-D1199 WeakPolarHBondContact CB-OD1 3.16Å; S1130-D1199 PolarHBondContact OG-OD1 2.96Å; N1132-D1199 VanDerWaalsContact CB-OD2 3.3Å; N1132-D1199 WeakPolarHBondContact CB-OD2 3.33Å; N1132-D1199 PolarHBondContact ND2-OD2 3.15Å; L1136-D1199 HydrophobicContact CD1-CB 3.79Å; V1195-D1199 PolarHBondContact O-N 3.3Å; N1196-D1199 PolarHBondContact O-N 2.76Å; D1199-V1202 PolarHBondContact O-N 2.99Å; D1199-C1203 WeakPolarHBondContact O-CB 3.38Å; D1199-C1203 PolarHBondContact O-N 3.47Å; D1199-C1203 PolarHBondContact O-SG 2.98Å |
| 1200 | Q | 84.3 | Confident | 74.4 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.5 | -45 | 172.6 | -70.8 | 161.7 | 24 | 0 | 0 | 112 | I1174 N1196 L1197 S1198 C1203 L1204 S1248 N1249 | I1174-Q1200 HydrophobicContact CG1-CG 4.48Å; I1174-Q1200 HydrophobicContact CG2-CG 3.78Å; N1196-Q1200 VanDerWaalsContact O-CG 3.24Å; N1196-Q1200 WeakPolarHBondContact O-CG 3.37Å; N1196-Q1200 PolarHBondContact O-N 3.49Å; N1196-Q1200 PolarHBondContact O-NE2 3.14Å; L1197-Q1200 PolarHBondContact O-N 3.37Å; S1198-Q1200 PolarHBondContact O-N 3.4Å; Q1200-C1203 WeakPolarHBondContact O-CB 2.79Å; Q1200-C1203 PolarHBondContact O-N 3.46Å; Q1200-C1203 VanDerWaalsContact O-N 3.17Å; Q1200-L1204 WeakPolarHBondContact O-CG 3.43Å; Q1200-L1204 PolarHBondContact O-N 2.63Å; Q1200-S1248 PolarHBondContact NE2-OG 2.74Å; Q1200-S1248 PolarHBondContact OE1-OG 3.34Å; Q1200-N1249 PolarHBondContact OE1-ND2 2.88Å |
| 1201 | Q | 82.1 | Confident | 77.1 | Confident | 83 Ų | 83 | 39 Ų | 39 | 39% | 0.388 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.9 | -43.7 | 177.9 | -69.7 | 171.9 | -1.8 | 0 | 0 | 111.7 | P1128 L1197 S1198 C1203 L1204 A1205 | P1128-Q1201 HydrophobicContact CG-CB 4.04Å; L1197-Q1201 WeakPolarHBondContact O-CG 3.28Å; L1197-Q1201 PolarHBondContact O-N 3.15Å; L1197-Q1201 VanDerWaalsContact O-N 3.1Å; S1198-Q1201 PolarHBondContact O-N 2.87Å; Q1201-C1203 VanDerWaalsContact C-N 3.3Å; Q1201-C1203 PolarHBondContact O-N 2.92Å; Q1201-L1204 PolarHBondContact O-N 3.11Å; Q1201-A1205 WeakPolarHBondContact O-CB 3.37Å; Q1201-A1205 PolarHBondContact O-N 3.47Å |
| 1202 | V | 85.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.1 | -41.4 | 173.5 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | I1127 K1133 L1136 S1198 D1199 N1206 | I1127-V1202 HydrophobicContact CG2-CG1 4.4Å; I1127-V1202 HydrophobicContact CG2-CG2 3.97Å; K1133-V1202 HydrophobicContact CG-CG1 4.41Å; K1133-V1202 HydrophobicContact CG-CG2 4.46Å; L1136-V1202 HydrophobicContact CB-CG1 4.28Å; L1136-V1202 HydrophobicContact CD1-CB 4.06Å; L1136-V1202 HydrophobicContact CD1-CG1 3.99Å; S1198-V1202 WeakPolarHBondContact O-CG2 3.24Å; S1198-V1202 PolarHBondContact O-N 3.08Å; D1199-V1202 PolarHBondContact O-N 2.99Å; V1202-N1206 WeakPolarHBondContact O-CB 3.43Å; V1202-N1206 PolarHBondContact O-N 2.81Å; V1202-N1206 PolarHBondContact O-ND2 3.1Å |
| 1203 | C | 87.3 | Confident | 81.8 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.2 | -38.5 | 178.8 | -70.5 | 0 | 0 | 0 | 0 | 113.6 | I1140 I1174 D1199 Q1200 Q1201 G1207 L1208 | I1140-C1203 HydrophobicContact CD1-CB 4.3Å; I1174-C1203 HydrophobicContact CD1-CB 4.24Å; D1199-C1203 WeakPolarHBondContact O-CB 3.38Å; D1199-C1203 PolarHBondContact O-N 3.47Å; D1199-C1203 PolarHBondContact O-SG 2.98Å; Q1200-C1203 WeakPolarHBondContact O-CB 2.79Å; Q1200-C1203 PolarHBondContact O-N 3.46Å; Q1200-C1203 VanDerWaalsContact O-N 3.17Å; Q1201-C1203 VanDerWaalsContact C-N 3.3Å; Q1201-C1203 PolarHBondContact O-N 2.92Å; C1203-G1207 PolarHBondContact O-N 3.48Å; C1203-L1208 HydrophobicContact CB-CB 4.25Å; C1203-L1208 HydrophobicContact CB-CD2 3.85Å; C1203-L1208 VanDerWaalsContact O-CB 3.25Å; C1203-L1208 WeakPolarHBondContact O-CB 3.41Å; C1203-L1208 PolarHBondContact O-N 3.22Å |
| 1204 | L | 84.1 | Confident | 83.6 | Confident | 22 Ų | 22 | 26.8 Ų | 26.8 | 12% | 0.115 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.2 | -49.8 | 175.7 | -69.3 | 172.3 | 0 | 0 | 0 | 111.7 | Q1200 Q1201 N1206 G1207 L1209 I1245 N1249 A1252 | Q1200-L1204 WeakPolarHBondContact O-CG 3.43Å; Q1200-L1204 PolarHBondContact O-N 2.63Å; Q1201-L1204 PolarHBondContact O-N 3.11Å; L1204-N1206 PolarHBondContact O-N 3.36Å; L1204-N1206 VanDerWaalsContact O-N 3.15Å; L1204-G1207 PolarHBondContact O-N 2.66Å; L1204-L1209 HydrophobicContact CD2-CB 4.39Å; L1204-L1209 HydrophobicContact CD2-CD2 4.33Å; L1204-I1245 HydrophobicContact CD2-CG2 3.98Å; L1204-N1249 HydrophobicContact CD1-CB 4.36Å; L1204-N1249 WeakPolarHBondContact CD1-OD1 3.47Å; L1204-A1252 HydrophobicContact CD1-CB 3.92Å; L1204-A1252 HydrophobicContact CD2-CB 3.58Å; L1204-A1252 HydrophobicContact CG-CB 4.36Å |
| 1205 | A | 82.1 | Confident | 85.4 | Confident | 36 Ų | 36 | 24 Ų | 24 | 30% | 0.298 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -58.3 | -30.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q1201 | Q1201-A1205 WeakPolarHBondContact O-CB 3.37Å; Q1201-A1205 PolarHBondContact O-N 3.47Å |
| 1206 | N | 85 | Confident | 87 | Confident | 38 Ų | 38 | 22.3 Ų | 22.3 | 20% | 0.203 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 5.1 | 177.6 | -72.5 | -83.7 | 0 | 0 | 0 | 114.1 | L1137 I1140 R1144 V1202 L1204 | L1137-N1206 HydrophobicContact CD2-CB 4.33Å; L1137-N1206 WeakPolarHBondContact CD2-OD1 3.4Å; I1140-N1206 HydrophobicContact CD1-CB 4.01Å; I1140-N1206 HydrophobicContact CG2-CB 4.3Å; R1144-N1206 PolarHBondContact NH2-O 3.3Å; V1202-N1206 WeakPolarHBondContact O-CB 3.43Å; V1202-N1206 PolarHBondContact O-N 2.81Å; V1202-N1206 PolarHBondContact O-ND2 3.1Å; L1204-N1206 PolarHBondContact O-N 3.36Å; L1204-N1206 VanDerWaalsContact O-N 3.15Å |
| 1207 | G | 85.3 | Confident | 87.8 | Confident | 19 Ų | 19 | 21.1 Ų | 21.1 | 20% | 0.196 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 34 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1144 C1203 L1204 L1209 S1210 | R1144-G1207 PolarHBondContact NH2-O 2.9Å; R1144-G1207 VanDerWaalsContact NH2-O 3.16Å; C1203-G1207 PolarHBondContact O-N 3.48Å; L1204-G1207 PolarHBondContact O-N 2.66Å; G1207-L1209 PolarHBondContact O-N 3.32Å; G1207-S1210 PolarHBondContact O-N 2.7Å |
| 1208 | L | 92.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.2 | -40.4 | 171.8 | 175.8 | 56.1 | 0 | 0 | 0 | 111.3 | I1140 L1170 I1174 C1203 S1210 I1211 L1212 I1245 | I1140-L1208 HydrophobicContact CD1-CB 4.37Å; I1140-L1208 HydrophobicContact CG1-CB 4.38Å; I1140-L1208 HydrophobicContact CG1-CD1 4.49Å; L1170-L1208 HydrophobicContact CD1-CD1 3.65Å; L1170-L1208 HydrophobicContact CD1-CD2 3.99Å; L1170-L1208 HydrophobicContact CD1-CG 4.5Å; L1170-L1208 HydrophobicContact CD2-CD2 4.43Å; I1174-L1208 HydrophobicContact CD1-CD2 4.31Å; C1203-L1208 HydrophobicContact CB-CB 4.25Å; C1203-L1208 HydrophobicContact CB-CD2 3.85Å; C1203-L1208 VanDerWaalsContact O-CB 3.25Å; C1203-L1208 WeakPolarHBondContact O-CB 3.41Å; C1203-L1208 PolarHBondContact O-N 3.22Å; L1208-S1210 VanDerWaalsContact C-N 3.28Å; L1208-S1210 PolarHBondContact O-N 3.36Å; L1208-I1211 WeakPolarHBondContact O-CA 3.47Å; L1208-I1211 WeakPolarHBondContact O-CB 3.32Å; L1208-I1211 PolarHBondContact O-N 2.8Å; L1208-L1212 HydrophobicContact CD1-CD1 4.41Å; L1208-L1212 HydrophobicContact CD1-CD2 4.25Å; L1208-L1212 HydrophobicContact CD1-CG 4.09Å; L1208-L1212 HydrophobicContact CG-CD1 4.12Å; L1208-L1212 HydrophobicContact CG-CG 4.27Å; L1208-L1212 PolarHBondContact O-N 3.21Å; L1208-I1245 HydrophobicContact CD2-CD1 3.67Å; L1208-I1245 HydrophobicContact CG-CD1 4.31Å |
| 1209 | L | 91.3 | Very high | 88.7 | Confident | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.016 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -54.3 | -41.1 | -179.5 | -169.7 | 63.1 | 0 | 0 | 0 | 113 | L1204 G1207 V1213 L1242 H1255 M1256 | L1204-L1209 HydrophobicContact CD2-CB 4.39Å; L1204-L1209 HydrophobicContact CD2-CD2 4.33Å; G1207-L1209 PolarHBondContact O-N 3.32Å; L1209-V1213 VanDerWaalsContact O-CG2 3.31Å; L1209-V1213 WeakPolarHBondContact O-CG2 3.33Å; L1209-V1213 PolarHBondContact O-N 3.09Å; L1209-V1213 VanDerWaalsContact O-N 3.13Å; L1209-L1242 HydrophobicContact CD1-CD1 3.49Å; L1209-L1242 VanDerWaalsContact CD1-CD1 3.49Å; L1209-H1255 HydrophobicContact CD2-CB 3.89Å; L1209-M1256 HydrophobicContact CD1-CG 3.83Å; L1209-M1256 HydrophobicContact CD1-SD 3.62Å; L1209-M1256 HydrophobicContact CD2-CG 3.86Å; L1209-M1256 HydrophobicContact CD2-SD 3.97Å; L1209-M1256 HydrophobicContact CG-CG 4.14Å; L1209-M1256 HydrophobicContact CG-SD 3.71Å |
| 1210 | S | 90 | Very high | 88.8 | Confident | 47 Ų | 47 | 22 Ų | 22 | 33% | 0.329 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -69.5 | -35.6 | 175.2 | 173.7 | 0 | 0 | 0 | 0 | 112.6 | G1207 L1208 N1214 | G1207-S1210 PolarHBondContact O-N 2.7Å; L1208-S1210 VanDerWaalsContact C-N 3.28Å; L1208-S1210 PolarHBondContact O-N 3.36Å; S1210-N1214 VanDerWaalsContact O-CB 3.22Å; S1210-N1214 WeakPolarHBondContact O-CB 3.34Å; S1210-N1214 PolarHBondContact O-N 2.87Å; S1210-N1214 PolarHBondContact O-ND2 2.72Å; S1210-N1214 PolarHBondContact O-OD1 3.16Å; S1210-N1214 PolarHBondContact OG-ND2 2.87Å |
| 1211 | I | 92.9 | Very high | 88.4 | Confident | 3 Ų | 3 | 27.5 Ų | 27.5 | 2% | 0.015 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.7 | -44.6 | 176.6 | -57.8 | 168.4 | 0 | 0 | 0 | 110.1 | I1140 A1143 R1144 L1147 L1208 L1215 | I1140-I1211 HydrophobicContact CG2-CD1 3.75Å; A1143-I1211 HydrophobicContact CB-CG2 4.13Å; R1144-I1211 HydrophobicContact CB-CD1 3.79Å; R1144-I1211 HydrophobicContact CB-CG1 4.29Å; L1147-I1211 HydrophobicContact CD2-CG2 4.1Å; L1208-I1211 WeakPolarHBondContact O-CA 3.47Å; L1208-I1211 WeakPolarHBondContact O-CB 3.32Å; L1208-I1211 PolarHBondContact O-N 2.8Å; I1211-L1215 VanDerWaalsContact O-CB 3.26Å; I1211-L1215 WeakPolarHBondContact O-CB 3.1Å; I1211-L1215 PolarHBondContact O-N 3.37Å |
| 1212 | L | 94.9 | Very high | 88 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.3 | -47.1 | 179.2 | -60.7 | 175.6 | 0 | 0 | 0 | 111.8 | L1167 L1208 L1215 I1216 A1238 L1241 L1242 I1245 | L1167-L1212 HydrophobicContact CD2-CD2 3.63Å; L1208-L1212 HydrophobicContact CD1-CD1 4.41Å; L1208-L1212 HydrophobicContact CD1-CD2 4.25Å; L1208-L1212 HydrophobicContact CD1-CG 4.09Å; L1208-L1212 HydrophobicContact CG-CD1 4.12Å; L1208-L1212 HydrophobicContact CG-CG 4.27Å; L1208-L1212 PolarHBondContact O-N 3.21Å; L1212-L1215 PolarHBondContact O-N 3.21Å; L1212-I1216 WeakPolarHBondContact O-CG1 3.27Å; L1212-I1216 PolarHBondContact O-N 2.95Å; L1212-A1238 HydrophobicContact CD2-CB 4.28Å; L1212-L1241 HydrophobicContact CD1-CB 4.43Å; L1212-L1241 HydrophobicContact CD1-CD2 4.34Å; L1212-L1241 HydrophobicContact CD1-CG 3.97Å; L1212-L1241 HydrophobicContact CD2-CD2 3.93Å; L1212-L1241 HydrophobicContact CD2-CG 4.32Å; L1212-L1242 HydrophobicContact CD1-CB 4.25Å; L1212-I1245 HydrophobicContact CD1-CD1 4.03Å |
| 1213 | V | 94 | Very high | 87.1 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.4 | -38.2 | -179.8 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | L1209 G1217 L1242 M1256 N1261 I1264 | L1209-V1213 VanDerWaalsContact O-CG2 3.31Å; L1209-V1213 WeakPolarHBondContact O-CG2 3.33Å; L1209-V1213 PolarHBondContact O-N 3.09Å; L1209-V1213 VanDerWaalsContact O-N 3.13Å; V1213-G1217 WeakPolarHBondContact O-CA 3.28Å; V1213-G1217 PolarHBondContact O-N 3.11Å; V1213-L1242 HydrophobicContact CG2-CD1 4.47Å; V1213-M1256 HydrophobicContact CG2-CE 3.74Å; V1213-M1256 HydrophobicContact CG2-SD 3.68Å; V1213-N1261 HydrophobicContact CB-CB 4.46Å; V1213-N1261 HydrophobicContact CG1-CB 3.96Å; V1213-N1261 HydrophobicContact CG2-CB 4.1Å; V1213-I1264 HydrophobicContact CG1-CB 3.92Å; V1213-I1264 HydrophobicContact CG1-CD1 3.71Å; V1213-I1264 HydrophobicContact CG1-CG1 4.38Å; V1213-I1264 HydrophobicContact CG1-CG2 4.06Å |
| 1214 | N | 91.5 | Very high | 85.8 | Confident | 74 Ų | 74 | 38.4 Ų | 38.4 | 40% | 0.396 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -69.6 | -37.8 | 176.1 | -70.4 | -4.8 | 0 | 0 | 0 | 111.7 | L1147 S1210 G1217 L1218 | L1147-N1214 HydrophobicContact CD2-CB 3.78Å; S1210-N1214 VanDerWaalsContact O-CB 3.22Å; S1210-N1214 WeakPolarHBondContact O-CB 3.34Å; S1210-N1214 PolarHBondContact O-N 2.87Å; S1210-N1214 PolarHBondContact O-ND2 2.72Å; S1210-N1214 PolarHBondContact O-OD1 3.16Å; S1210-N1214 PolarHBondContact OG-ND2 2.87Å; N1214-G1217 WeakPolarHBondContact O-CA 3.25Å; N1214-G1217 PolarHBondContact O-N 3.31Å; N1214-G1217 VanDerWaalsContact O-N 3.16Å; N1214-L1218 PolarHBondContact O-N 3.48Å |
| 1215 | L | 93.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.4 | -49.6 | 172.8 | 176 | 58.9 | 0 | 0 | 0 | 111.1 | L1147 W1155 M1163 L1167 I1211 L1212 G1217 L1218 Y1235 A1238 | L1147-L1215 HydrophobicContact CD1-CB 4.22Å; L1147-L1215 HydrophobicContact CD1-CD1 4.35Å; W1155-L1215 HydrophobicContact CH2-CD1 3.81Å; W1155-L1215 HydrophobicContact CZ3-CD1 4.17Å; M1163-L1215 HydrophobicContact CE-CD2 4.47Å; M1163-L1215 HydrophobicContact CG-CD2 4.28Å; M1163-L1215 HydrophobicContact SD-CD2 4.42Å; L1167-L1215 HydrophobicContact CD1-CD2 3.89Å; I1211-L1215 VanDerWaalsContact O-CB 3.26Å; I1211-L1215 WeakPolarHBondContact O-CB 3.1Å; I1211-L1215 PolarHBondContact O-N 3.37Å; L1212-L1215 PolarHBondContact O-N 3.21Å; L1215-G1217 PolarHBondContact O-N 2.89Å; L1215-L1218 HydrophobicContact CD1-CD1 4.17Å; L1215-L1218 WeakPolarHBondContact O-CB 3.3Å; L1215-L1218 WeakPolarHBondContact O-CG 3.2Å; L1215-L1218 PolarHBondContact O-N 2.89Å; L1215-Y1235 WeakPolarHBondContact O-CE1 3.33Å; L1215-A1238 HydrophobicContact CD2-CB 3.9Å |
| 1216 | I | 92.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -32 | 173.6 | -67.2 | 164.9 | 0 | 0 | 0 | 111.2 | L1212 L1218 I1219 A1238 L1242 L1265 C1268 L1320 | L1212-I1216 WeakPolarHBondContact O-CG1 3.27Å; L1212-I1216 PolarHBondContact O-N 2.95Å; I1216-L1218 PolarHBondContact O-N 3.03Å; I1216-I1219 HydrophobicContact CG2-CD1 4.32Å; I1216-I1219 WeakPolarHBondContact O-CB 3.42Å; I1216-I1219 WeakPolarHBondContact O-CD1 3.1Å; I1216-I1219 WeakPolarHBondContact O-CG1 3.18Å; I1216-I1219 PolarHBondContact O-N 3.45Å; I1216-A1238 HydrophobicContact CD1-CB 4.37Å; I1216-A1238 HydrophobicContact CG1-CB 4.21Å; I1216-L1242 HydrophobicContact CD1-CD2 3.91Å; I1216-L1265 HydrophobicContact CD1-CD2 4.43Å; I1216-L1265 HydrophobicContact CG2-CD2 4.01Å; I1216-C1268 PolarHBondContact O-SG 2.71Å; I1216-C1268 VanDerWaalsContact O-SG 3.34Å; I1216-L1320 HydrophobicContact CG2-CD1 3.74Å |
| 1217 | G | 90.8 | Very high | 82.7 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 6% | 0.062 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.7 | -20.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | V1213 N1214 L1215 I1219 R1220 | V1213-G1217 WeakPolarHBondContact O-CA 3.28Å; V1213-G1217 PolarHBondContact O-N 3.11Å; N1214-G1217 WeakPolarHBondContact O-CA 3.25Å; N1214-G1217 PolarHBondContact O-N 3.31Å; N1214-G1217 VanDerWaalsContact O-N 3.16Å; L1215-G1217 PolarHBondContact O-N 2.89Å; G1217-I1219 PolarHBondContact O-N 3.26Å; G1217-R1220 WeakPolarHBondContact O-CB 3.02Å; G1217-R1220 PolarHBondContact O-N 3.23Å; G1217-R1220 VanDerWaalsContact O-N 3.11Å |
| 1218 | L | 89.9 | Confident | 81.9 | Confident | 15 Ų | 15 | 52.3 Ų | 52.3 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -63.5 | -21.2 | 175.6 | -64.5 | 179 | 0 | 0 | 0 | 113.2 | L1147 W1155 N1214 L1215 I1216 R1220 E1221 Q1222 L1229 V1230 Y1235 | L1147-L1218 HydrophobicContact CD1-CD1 4.26Å; W1155-L1218 HydrophobicContact CH2-CD1 4.26Å; W1155-L1218 HydrophobicContact CZ2-CD1 3.65Å; N1214-L1218 PolarHBondContact O-N 3.48Å; L1215-L1218 HydrophobicContact CD1-CD1 4.17Å; L1215-L1218 WeakPolarHBondContact O-CB 3.3Å; L1215-L1218 WeakPolarHBondContact O-CG 3.2Å; L1215-L1218 PolarHBondContact O-N 2.89Å; I1216-L1218 PolarHBondContact O-N 3.03Å; L1218-R1220 PolarHBondContact O-N 2.73Å; L1218-R1220 VanDerWaalsContact O-N 3.15Å; L1218-E1221 PolarHBondContact O-N 2.91Å; L1218-Q1222 PolarHBondContact O-N 3.28Å; L1218-L1229 HydrophobicContact CB-CD2 4.27Å; L1218-L1229 HydrophobicContact CD1-CD2 4.49Å; L1218-L1229 HydrophobicContact CD2-CD2 4.39Å; L1218-V1230 HydrophobicContact CD1-CG2 3.81Å; L1218-Y1235 HydrophobicContact CB-CE1 4.46Å |
| 1219 | I | 87.7 | Confident | 81.3 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -54.1 | -31.9 | 171.4 | -67.4 | 171.5 | 0 | 0 | 0 | 111.4 | I1216 G1217 E1221 Y1235 C1268 Q1272 | I1216-I1219 HydrophobicContact CG2-CD1 4.32Å; I1216-I1219 WeakPolarHBondContact O-CB 3.42Å; I1216-I1219 WeakPolarHBondContact O-CD1 3.1Å; I1216-I1219 WeakPolarHBondContact O-CG1 3.18Å; I1216-I1219 PolarHBondContact O-N 3.45Å; G1217-I1219 PolarHBondContact O-N 3.26Å; I1219-E1221 VanDerWaalsContact C-N 3.26Å; I1219-E1221 PolarHBondContact O-N 3Å; I1219-Y1235 HydrophobicContact CD1-CD2 4.32Å; I1219-Y1235 HydrophobicContact CD1-CE2 4.4Å; I1219-Y1235 HydrophobicContact CD1-CG 4.4Å; I1219-Y1235 HydrophobicContact CG1-CD1 4.47Å; I1219-Y1235 HydrophobicContact CG1-CD2 4.24Å; I1219-Y1235 HydrophobicContact CG1-CE1 4.07Å; I1219-Y1235 HydrophobicContact CG1-CE2 3.82Å; I1219-C1268 HydrophobicContact CB-CB 4.35Å; I1219-C1268 HydrophobicContact CD1-CB 4.45Å; I1219-C1268 HydrophobicContact CG2-CB 4.21Å; I1219-Q1272 HydrophobicContact CG2-CG 3.99Å |
| 1220 | R | 86.7 | Confident | 81 | Confident | 104 Ų | 104 | 53.2 Ų | 53.2 | 39% | 0.392 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -71.7 | -16.1 | 179.2 | -64.7 | 157.3 | 55.7 | -90.2 | -7.1 | 114.1 | G1217 L1218 D1267 I1271 | G1217-R1220 WeakPolarHBondContact O-CB 3.02Å; G1217-R1220 PolarHBondContact O-N 3.23Å; G1217-R1220 VanDerWaalsContact O-N 3.11Å; L1218-R1220 PolarHBondContact O-N 2.73Å; L1218-R1220 VanDerWaalsContact O-N 3.15Å; R1220-D1267 HydrophobicContact CG-CB 4.15Å; R1220-D1267 IonicContact NE-OD2 2.73Å; R1220-D1267 PolarHBondContact NE-OD2 2.95Å; R1220-I1271 HydrophobicContact CB-CD1 4.01Å; R1220-I1271 HydrophobicContact CG-CD1 3.78Å |
| 1221 | E | 77.7 | Confident | 80.8 | Confident | 123 Ų | 123 | 53.6 Ų | 53.6 | 58% | 0.575 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -11.6 | -172.6 | -59 | -174.8 | -176.8 | 0 | 0 | 112.3 | L1218 I1219 K1223 | L1218-E1221 PolarHBondContact O-N 2.91Å; I1219-E1221 VanDerWaalsContact C-N 3.26Å; I1219-E1221 PolarHBondContact O-N 3Å; E1221-K1223 PolarHBondContact O-N 3.48Å |
| 1222 | Q | 72.8 | Confident | 80.4 | Confident | 50 Ų | 50 | 54 Ų | 54 | 23% | 0.234 | 28% | 0.281 | C | S | . | . | trans | -65 | 121.4 | 172.7 | -177.5 | 174.4 | -21.4 | 0 | 0 | 111 | L1218 | L1218-Q1222 PolarHBondContact O-N 3.28Š| ||
| 1223 | K | 67.5 | Low | 80 | Confident | 151 Ų | 151 | 60.1 Ų | 60.1 | 66% | 0.657 | 31% | 0.308 | S | S | * | . | trans | -72.5 | 138.7 | 173.8 | -63.4 | 176.4 | -178.7 | 175.1 | 0 | 109.5 | E1221 S1225 S1226 | E1221-K1223 PolarHBondContact O-N 3.48Å; K1223-S1225 PolarHBondContact O-N 2.82Å; K1223-S1226 PolarHBondContact N-OG 3.44Å; K1223-S1226 PolarHBondContact O-N 2.96Å; K1223-S1226 PolarHBondContact O-OG 3.37Å | ||
| 1224 | P | 60 | Low | 80 | Confident | 112 Ų | 112 | 60.1 Ų | 60.1 | 73% | 0.727 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24.4 | -174.6 | -27.9 | 35.1 | 0 | 0 | 0 | 115.9 | L1275 | P1224-L1275 HydrophobicContact CB-CD2 3.96Å; P1224-L1275 HydrophobicContact CG-CD2 4.02Å |
| 1225 | S | 56.5 | Low | 80 | Confident | 122 Ų | 122 | 56.6 Ų | 56.6 | 85% | 0.853 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 7.1 | 178.7 | 54.4 | 0 | 0 | 0 | 0 | 114.3 | K1223 | K1223-S1225 PolarHBondContact O-N 2.82Š|
| 1226 | S | 65.2 | Low | 80 | Confident | 49 Ų | 49 | 61.2 Ų | 61.2 | 34% | 0.343 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -99.9 | 151 | -176.2 | 65.5 | 0 | 0 | 0 | 0 | 113.1 | K1223 | K1223-S1226 PolarHBondContact N-OG 3.44Å; K1223-S1226 PolarHBondContact O-N 2.96Å; K1223-S1226 PolarHBondContact O-OG 3.37Å |
| 1227 | K | 63.9 | Low | 80 | Confident | 180 Ų | 180 | 62 Ų | 62 | 78% | 0.783 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 137.4 | 168.2 | -65.8 | -175.2 | 178 | -175.7 | 0 | 109.2 | P1154 L1229 | P1154-K1227 HydrophobicContact CG-CB 4.14Å; K1227-L1229 PolarHBondContact O-N 3.48Å |
| 1228 | Q | 68.1 | Low | 80.3 | Confident | 55 Ų | 55 | 61.8 Ų | 61.8 | 26% | 0.257 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 128.4 | -176.5 | -156.5 | -177.9 | 36.2 | 0 | 0 | 111 | V1230 | Q1228-V1230 VanDerWaalsContact CD-O 3.3Å; Q1228-V1230 VanDerWaalsContact CG-O 3.31Å; Q1228-V1230 WeakPolarHBondContact CG-O 2.91Å; Q1228-V1230 PolarHBondContact OE1-O 2.89Å |
| 1229 | L | 78.8 | Confident | 80.5 | Confident | 24 Ų | 24 | 61 Ų | 61 | 13% | 0.126 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -65.3 | -42.6 | -173.9 | 177.9 | 60.2 | 0 | 0 | 0 | 112 | G1153 W1155 L1218 K1227 | G1153-L1229 VanDerWaalsContact O-CD1 3.24Å; G1153-L1229 WeakPolarHBondContact O-CD1 3.28Å; W1155-L1229 PolarHBondContact N-O 3.37Å; L1218-L1229 HydrophobicContact CB-CD2 4.27Å; L1218-L1229 HydrophobicContact CD1-CD2 4.49Å; L1218-L1229 HydrophobicContact CD2-CD2 4.39Å; K1227-L1229 PolarHBondContact O-N 3.48Å |
| 1230 | V | 85.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -128.2 | 131.1 | 175.1 | -171 | 0 | 0 | 0 | 0 | 107.7 | W1155 L1218 Q1228 E1232 T1234 Y1235 | W1155-V1230 HydrophobicContact CD2-CG2 3.69Å; W1155-V1230 HydrophobicContact CE3-CG1 4.09Å; W1155-V1230 HydrophobicContact CE3-CG2 3.95Å; W1155-V1230 HydrophobicContact CG-CG2 4.12Å; W1155-V1230 HydrophobicContact CH2-CG2 4.37Å; W1155-V1230 HydrophobicContact CZ2-CG2 4.13Å; W1155-V1230 HydrophobicContact CZ3-CG1 4.36Å; W1155-V1230 HydrophobicContact CZ3-CG2 4.28Å; L1218-V1230 HydrophobicContact CD1-CG2 3.81Å; Q1228-V1230 VanDerWaalsContact CD-O 3.3Å; Q1228-V1230 VanDerWaalsContact CG-O 3.31Å; Q1228-V1230 WeakPolarHBondContact CG-O 2.91Å; Q1228-V1230 PolarHBondContact OE1-O 2.89Å; V1230-E1232 PolarHBondContact O-N 2.68Å; V1230-T1234 HydrophobicContact CG1-CG2 3.93Å; V1230-Y1235 HydrophobicContact CB-CE1 4.02Å; V1230-Y1235 HydrophobicContact CB-CE2 4.34Å; V1230-Y1235 HydrophobicContact CG2-CE1 4.37Å; V1230-Y1235 WeakPolarHBondContact O-CE2 3.46Å |
| 1231 | P | 86 | Confident | 81 | Confident | 54 Ų | 54 | 58 Ų | 58 | 35% | 0.351 | 30% | 0.298 | S | S | . | . | trans | -58.5 | 136.9 | 178.7 | -29 | 38.5 | 0 | 0 | 0 | 113 | V1160 K1233 T1234 | V1160-P1231 HydrophobicContact CG1-CB 4.43Å; V1160-P1231 HydrophobicContact CG1-CG 3.94Å; V1160-P1231 HydrophobicContact CG2-CG 4.1Å; P1231-K1233 VanDerWaalsContact C-N 3.26Å; P1231-K1233 PolarHBondContact O-N 3Å; P1231-K1233 VanDerWaalsContact O-N 3.09Å; P1231-T1234 WeakPolarHBondContact O-CB 3.21Å; P1231-T1234 PolarHBondContact O-N 3.41Å | ||
| 1232 | E | 83.7 | Confident | 81.7 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -49.6 | -41.8 | -172.4 | -169.8 | -176.6 | 177.7 | 0 | 0 | 114.7 | V1230 T1234 Y1235 R1236 S1312 N1313 C1316 | V1230-E1232 PolarHBondContact O-N 2.68Å; E1232-T1234 PolarHBondContact O-N 3.43Å; E1232-T1234 VanDerWaalsContact O-N 3.1Å; E1232-Y1235 WeakPolarHBondContact O-CA 3.34Å; E1232-Y1235 WeakPolarHBondContact O-CB 3.38Å; E1232-Y1235 PolarHBondContact O-N 3.15Å; E1232-R1236 HydrophobicContact CG-CG 4.36Å; E1232-R1236 WeakPolarHBondContact O-CG 3.02Å; E1232-R1236 PolarHBondContact O-N 3.31Å; E1232-S1312 VanDerWaalsContact CD-C 3.48Å; E1232-S1312 WeakPolarHBondContact OE2-CB 3.39Å; E1232-S1312 PolarHBondContact OE2-OG 2.93Å; E1232-N1313 VanDerWaalsContact OE1-CA 3.31Å; E1232-N1313 WeakPolarHBondContact OE1-CA 2.98Å; E1232-N1313 VanDerWaalsContact OE2-CA 3.28Å; E1232-N1313 WeakPolarHBondContact OE2-CA 3.45Å; E1232-N1313 PolarHBondContact OE2-N 3.22Å; E1232-C1316 HydrophobicContact CG-CB 3.48Å; E1232-C1316 VanDerWaalsContact CG-CB 3.48Å; E1232-C1316 WeakPolarHBondContact OE1-CB 3.35Å; E1232-C1316 PolarHBondContact OE1-N 3Å |
| 1233 | K | 88.4 | Confident | 82.6 | Confident | 127 Ų | 127 | 52.9 Ų | 52.9 | 55% | 0.552 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -49.8 | -37.4 | 176.9 | -176.9 | -170.4 | 168.6 | -144.9 | 0 | 112.6 | E1164 P1231 R1236 I1237 | E1164-K1233 WeakPolarHBondContact OE1-CD 3.37Å; E1164-K1233 WeakPolarHBondContact OE1-CG 3.44Å; E1164-K1233 IonicContact OE1-NZ 3.98Å; E1164-K1233 WeakPolarHBondContact OE2-CE 3.25Å; E1164-K1233 IonicContact OE2-NZ 3.68Å; E1164-K1233 PolarHBondContact OE2-NZ 3.34Å; P1231-K1233 VanDerWaalsContact C-N 3.26Å; P1231-K1233 PolarHBondContact O-N 3Å; P1231-K1233 VanDerWaalsContact O-N 3.09Å; K1233-R1236 PolarHBondContact O-N 3.27Å; K1233-I1237 HydrophobicContact CG-CD1 4.13Å; K1233-I1237 WeakPolarHBondContact O-CD1 3.46Å; K1233-I1237 VanDerWaalsContact O-CG1 3.27Å; K1233-I1237 WeakPolarHBondContact O-CG1 3.26Å; K1233-I1237 PolarHBondContact O-N 2.98Å |
| 1234 | T | 92 | Very high | 83.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.3 | -37.2 | 178.5 | -51.7 | 0 | 0 | 0 | 0 | 112 | V1160 M1163 E1164 L1167 V1230 P1231 E1232 A1238 | V1160-T1234 VanDerWaalsContact CG1-OG1 3.29Å; V1160-T1234 WeakPolarHBondContact CG1-OG1 3.45Å; M1163-T1234 HydrophobicContact CB-CG2 4.45Å; M1163-T1234 HydrophobicContact CG-CG2 4.01Å; E1164-T1234 HydrophobicContact CG-CG2 4.03Å; E1164-T1234 VanDerWaalsContact CG-OG1 3.27Å; E1164-T1234 WeakPolarHBondContact CG-OG1 3.26Å; E1164-T1234 PolarHBondContact OE1-N 3.47Å; E1164-T1234 PolarHBondContact OE1-OG1 3.39Å; L1167-T1234 HydrophobicContact CD1-CG2 4.28Å; V1230-T1234 HydrophobicContact CG1-CG2 3.93Å; P1231-T1234 WeakPolarHBondContact O-CB 3.21Å; P1231-T1234 PolarHBondContact O-N 3.41Å; E1232-T1234 PolarHBondContact O-N 3.43Å; E1232-T1234 VanDerWaalsContact O-N 3.1Å; T1234-A1238 PolarHBondContact O-N 2.96Å; T1234-A1238 VanDerWaalsContact O-N 3.12Å |
| 1235 | Y | 92.9 | Very high | 84.9 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.4 | -43.5 | 170.1 | -62.7 | -48.9 | 0 | 0 | 0 | 111.2 | L1215 L1218 I1219 V1230 E1232 I1237 A1238 C1239 C1316 | L1215-Y1235 WeakPolarHBondContact O-CE1 3.33Å; L1218-Y1235 HydrophobicContact CB-CE1 4.46Å; I1219-Y1235 HydrophobicContact CD1-CD2 4.32Å; I1219-Y1235 HydrophobicContact CD1-CE2 4.4Å; I1219-Y1235 HydrophobicContact CD1-CG 4.4Å; I1219-Y1235 HydrophobicContact CG1-CD1 4.47Å; I1219-Y1235 HydrophobicContact CG1-CD2 4.24Å; I1219-Y1235 HydrophobicContact CG1-CE1 4.07Å; I1219-Y1235 HydrophobicContact CG1-CE2 3.82Å; V1230-Y1235 HydrophobicContact CB-CE1 4.02Å; V1230-Y1235 HydrophobicContact CB-CE2 4.34Å; V1230-Y1235 HydrophobicContact CG2-CE1 4.37Å; V1230-Y1235 WeakPolarHBondContact O-CE2 3.46Å; E1232-Y1235 WeakPolarHBondContact O-CA 3.34Å; E1232-Y1235 WeakPolarHBondContact O-CB 3.38Å; E1232-Y1235 PolarHBondContact O-N 3.15Å; Y1235-I1237 PolarHBondContact O-N 2.68Å; Y1235-A1238 CarbonylContact O-C 3.58Å; Y1235-A1238 WeakPolarHBondContact O-CA 3.38Å; Y1235-A1238 WeakPolarHBondContact O-CB 3.48Å; Y1235-A1238 PolarHBondContact O-N 3.27Å; Y1235-A1238 VanDerWaalsContact O-N 3.07Å; Y1235-C1239 PolarHBondContact O-N 2.99Å; Y1235-C1239 PolarHBondContact O-SG 2.86Å; Y1235-C1316 WeakPolarHBondContact CB-SG 3.39Å |
| 1236 | R | 93.2 | Very high | 86.3 | Confident | 96 Ų | 96 | 36.9 Ų | 36.9 | 36% | 0.362 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -56.1 | -48.1 | 176.5 | -61.1 | -164.7 | 68.9 | -114 | -24.1 | 111.9 | E1232 K1233 A1238 C1239 C1240 C1316 D1319 | E1232-R1236 HydrophobicContact CG-CG 4.36Å; E1232-R1236 WeakPolarHBondContact O-CG 3.02Å; E1232-R1236 PolarHBondContact O-N 3.31Å; K1233-R1236 PolarHBondContact O-N 3.27Å; R1236-A1238 VanDerWaalsContact C-N 3.29Å; R1236-A1238 PolarHBondContact O-N 3.3Å; R1236-C1239 WeakPolarHBondContact O-CB 3.47Å; R1236-C1239 PolarHBondContact O-N 3.29Å; R1236-C1240 PolarHBondContact O-N 2.97Å; R1236-C1240 PolarHBondContact O-SG 3.41Å; R1236-C1316 HydrophobicContact CG-CB 4.17Å; R1236-D1319 VanDerWaalsContact CG-OD2 3.31Å; R1236-D1319 WeakPolarHBondContact CG-OD2 3.35Å; R1236-D1319 IonicContact CZ-OD2 2.69Å; R1236-D1319 IonicContact NE-OD2 3.6Å; R1236-D1319 PolarHBondContact NE-OD2 3.16Å; R1236-D1319 IonicContact NH2-OD1 3.83Å; R1236-D1319 PolarHBondContact NH2-OD1 3.42Å; R1236-D1319 VanDerWaalsContact NH2-OD1 3.08Å; R1236-D1319 IonicContact NH2-OD2 3.44Å; R1236-D1319 PolarHBondContact NH2-OD2 2.97Å |
| 1237 | I | 93.7 | Very high | 87.2 | Confident | 18 Ų | 18 | 38.8 Ų | 38.8 | 9% | 0.092 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.7 | -38.8 | 176.5 | -63 | 156.5 | 0 | 0 | 0 | 111.1 | E1164 L1167 K1233 Y1235 L1241 | E1164-I1237 HydrophobicContact CB-CD1 4.13Å; E1164-I1237 HydrophobicContact CG-CD1 3.83Å; L1167-I1237 HydrophobicContact CB-CG2 3.58Å; L1167-I1237 HydrophobicContact CD1-CG2 4.25Å; K1233-I1237 HydrophobicContact CG-CD1 4.13Å; K1233-I1237 WeakPolarHBondContact O-CD1 3.46Å; K1233-I1237 VanDerWaalsContact O-CG1 3.27Å; K1233-I1237 WeakPolarHBondContact O-CG1 3.26Å; K1233-I1237 PolarHBondContact O-N 2.98Å; Y1235-I1237 PolarHBondContact O-N 2.68Å; I1237-L1241 WeakPolarHBondContact O-CB 3.38Å; I1237-L1241 PolarHBondContact O-N 3.3Å |
| 1238 | A | 95.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67 | -39.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1167 L1212 L1215 I1216 T1234 Y1235 R1236 L1242 | L1167-A1238 HydrophobicContact CD1-CB 4.28Å; L1212-A1238 HydrophobicContact CD2-CB 4.28Å; L1215-A1238 HydrophobicContact CD2-CB 3.9Å; I1216-A1238 HydrophobicContact CD1-CB 4.37Å; I1216-A1238 HydrophobicContact CG1-CB 4.21Å; T1234-A1238 PolarHBondContact O-N 2.96Å; T1234-A1238 VanDerWaalsContact O-N 3.12Å; Y1235-A1238 CarbonylContact O-C 3.58Å; Y1235-A1238 WeakPolarHBondContact O-CA 3.38Å; Y1235-A1238 WeakPolarHBondContact O-CB 3.48Å; Y1235-A1238 PolarHBondContact O-N 3.27Å; Y1235-A1238 VanDerWaalsContact O-N 3.07Å; R1236-A1238 VanDerWaalsContact C-N 3.29Å; R1236-A1238 PolarHBondContact O-N 3.3Å; A1238-L1242 VanDerWaalsContact O-CB 3.27Å; A1238-L1242 WeakPolarHBondContact O-CB 3.3Å; A1238-L1242 PolarHBondContact O-N 2.89Å |
| 1239 | C | 94.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.5 | -48.9 | 173 | -70.5 | 0 | 0 | 0 | 0 | 111.6 | Y1235 R1236 L1241 L1242 Q1243 D1319 C1323 | Y1235-C1239 PolarHBondContact O-N 2.99Å; Y1235-C1239 PolarHBondContact O-SG 2.86Å; R1236-C1239 WeakPolarHBondContact O-CB 3.47Å; R1236-C1239 PolarHBondContact O-N 3.29Å; C1239-L1241 VanDerWaalsContact C-N 3.33Å; C1239-L1241 PolarHBondContact O-N 3.43Å; C1239-L1242 WeakPolarHBondContact O-CB 3.32Å; C1239-L1242 PolarHBondContact O-N 3.24Å; C1239-Q1243 WeakPolarHBondContact O-CB 3.34Å; C1239-Q1243 PolarHBondContact O-N 3.3Å; C1239-D1319 HydrophobicContact CB-CB 3.82Å; C1239-C1323 PolarHBondContact O-SG 3.49Å |
| 1240 | C | 92.2 | Very high | 88.5 | Confident | 43 Ų | 43 | 34.4 Ų | 34.4 | 29% | 0.291 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -56.5 | -46.6 | 176.3 | -63.5 | 0 | 0 | 0 | 0 | 111.6 | R1236 Q1243 T1244 | R1236-C1240 PolarHBondContact O-N 2.97Å; R1236-C1240 PolarHBondContact O-SG 3.41Å; C1240-Q1243 PolarHBondContact O-N 3.37Å; C1240-T1244 PolarHBondContact O-N 3.41Å; C1240-T1244 PolarHBondContact O-OG1 3.23Å |
| 1241 | L | 92.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.7 | -38.6 | 178.3 | -178 | 55.2 | 0 | 0 | 0 | 112.7 | L1167 L1170 L1171 I1174 L1212 I1237 C1239 I1245 | L1167-L1241 HydrophobicContact CB-CD2 4.41Å; L1167-L1241 HydrophobicContact CD2-CD2 4.07Å; L1170-L1241 HydrophobicContact CB-CD1 4.44Å; L1170-L1241 HydrophobicContact CB-CD2 3.85Å; L1170-L1241 HydrophobicContact CD1-CD2 4.4Å; L1171-L1241 HydrophobicContact CB-CD1 4.1Å; L1171-L1241 HydrophobicContact CD1-CB 4.44Å; L1171-L1241 HydrophobicContact CD1-CD1 3.98Å; I1174-L1241 HydrophobicContact CD1-CD1 4.13Å; L1212-L1241 HydrophobicContact CD1-CB 4.43Å; L1212-L1241 HydrophobicContact CD1-CD2 4.34Å; L1212-L1241 HydrophobicContact CD1-CG 3.97Å; L1212-L1241 HydrophobicContact CD2-CD2 3.93Å; L1212-L1241 HydrophobicContact CD2-CG 4.32Å; I1237-L1241 WeakPolarHBondContact O-CB 3.38Å; I1237-L1241 PolarHBondContact O-N 3.3Å; C1239-L1241 VanDerWaalsContact C-N 3.33Å; C1239-L1241 PolarHBondContact O-N 3.43Å; L1241-I1245 HydrophobicContact CD1-CD1 3.83Å; L1241-I1245 HydrophobicContact CD1-CG1 4.24Å; L1241-I1245 HydrophobicContact CG-CD1 3.98Å; L1241-I1245 WeakPolarHBondContact O-CB 3.42Å; L1241-I1245 WeakPolarHBondContact O-CD1 3.27Å; L1241-I1245 VanDerWaalsContact O-CG1 3.26Å; L1241-I1245 WeakPolarHBondContact O-CG1 3.43Å; L1241-I1245 PolarHBondContact O-N 3.28Å; L1241-I1245 VanDerWaalsContact O-N 3.1Å |
| 1242 | L | 93.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 173.9 | 178.5 | 63.9 | 0 | 0 | 0 | 111.4 | L1209 L1212 V1213 I1216 A1238 C1239 C1246 M1256 L1265 C1323 | L1209-L1242 HydrophobicContact CD1-CD1 3.49Å; L1209-L1242 VanDerWaalsContact CD1-CD1 3.49Å; L1212-L1242 HydrophobicContact CD1-CB 4.25Å; V1213-L1242 HydrophobicContact CG2-CD1 4.47Å; I1216-L1242 HydrophobicContact CD1-CD2 3.91Å; A1238-L1242 VanDerWaalsContact O-CB 3.27Å; A1238-L1242 WeakPolarHBondContact O-CB 3.3Å; A1238-L1242 PolarHBondContact O-N 2.89Å; C1239-L1242 WeakPolarHBondContact O-CB 3.32Å; C1239-L1242 PolarHBondContact O-N 3.24Å; L1242-C1246 WeakPolarHBondContact O-CB 3.47Å; L1242-C1246 PolarHBondContact O-N 3.42Å; L1242-C1246 PolarHBondContact O-SG 2.86Å; L1242-M1256 HydrophobicContact CD1-SD 4.41Å; L1242-L1265 HydrophobicContact CD2-CD1 4.15Å; L1242-L1265 HydrophobicContact CD2-CD2 4.13Å; L1242-C1323 HydrophobicContact CD2-CB 4.36Å |
| 1243 | Q | 90.7 | Very high | 88.4 | Confident | 64 Ų | 64 | 33.9 Ų | 33.9 | 30% | 0.299 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.4 | -51 | 176.4 | -177.5 | 179.6 | -11.3 | 0 | 0 | 111.2 | C1239 C1240 I1245 C1246 T1247 N1326 | C1239-Q1243 WeakPolarHBondContact O-CB 3.34Å; C1239-Q1243 PolarHBondContact O-N 3.3Å; C1240-Q1243 PolarHBondContact O-N 3.37Å; Q1243-I1245 VanDerWaalsContact C-N 3.31Å; Q1243-I1245 PolarHBondContact O-N 3.15Å; Q1243-C1246 PolarHBondContact O-N 2.96Å; Q1243-T1247 WeakPolarHBondContact O-CB 3.31Å; Q1243-T1247 PolarHBondContact O-N 3.39Å; Q1243-T1247 PolarHBondContact O-OG1 2.85Å; Q1243-T1247 VanDerWaalsContact O-OG1 3.11Å; Q1243-N1326 PolarHBondContact NE2-ND2 2.96Å |
| 1244 | T | 89.2 | Confident | 88.3 | Confident | 39 Ų | 39 | 29.1 Ų | 29.1 | 24% | 0.239 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -55.1 | -46.3 | 178.5 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | L1171 I1174 C1240 S1248 | L1171-T1244 HydrophobicContact CD1-CG2 4.4Å; I1174-T1244 HydrophobicContact CG2-CG2 3.94Å; C1240-T1244 PolarHBondContact O-N 3.41Å; C1240-T1244 PolarHBondContact O-OG1 3.23Å; T1244-S1248 WeakPolarHBondContact O-CB 3.46Å; T1244-S1248 PolarHBondContact O-N 3.15Å; T1244-S1248 VanDerWaalsContact O-N 3.16Å; T1244-S1248 PolarHBondContact O-OG 2.88Å |
| 1245 | I | 87.5 | Confident | 88 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.8 | -44.6 | 179.6 | -68.3 | 165.8 | 0 | 0 | 0 | 111.6 | I1174 L1204 L1208 L1212 L1241 Q1243 S1248 N1249 A1252 | I1174-I1245 HydrophobicContact CD1-CD1 3.99Å; I1174-I1245 HydrophobicContact CD1-CG1 4Å; I1174-I1245 HydrophobicContact CG2-CG1 3.99Å; L1204-I1245 HydrophobicContact CD2-CG2 3.98Å; L1208-I1245 HydrophobicContact CD2-CD1 3.67Å; L1208-I1245 HydrophobicContact CG-CD1 4.31Å; L1212-I1245 HydrophobicContact CD1-CD1 4.03Å; L1241-I1245 HydrophobicContact CD1-CD1 3.83Å; L1241-I1245 HydrophobicContact CD1-CG1 4.24Å; L1241-I1245 HydrophobicContact CG-CD1 3.98Å; L1241-I1245 WeakPolarHBondContact O-CB 3.42Å; L1241-I1245 WeakPolarHBondContact O-CD1 3.27Å; L1241-I1245 VanDerWaalsContact O-CG1 3.26Å; L1241-I1245 WeakPolarHBondContact O-CG1 3.43Å; L1241-I1245 PolarHBondContact O-N 3.28Å; L1241-I1245 VanDerWaalsContact O-N 3.1Å; Q1243-I1245 VanDerWaalsContact C-N 3.31Å; Q1243-I1245 PolarHBondContact O-N 3.15Å; I1245-S1248 PolarHBondContact O-OG 2.82Å; I1245-N1249 VanDerWaalsContact O-CB 3.29Å; I1245-N1249 WeakPolarHBondContact O-CB 3.49Å; I1245-N1249 PolarHBondContact O-N 3.19Å; I1245-A1252 HydrophobicContact CG2-CB 3.69Å |
| 1246 | C | 86.6 | Confident | 87.9 | Confident | 9 Ų | 9 | 30.3 Ų | 30.3 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -77.3 | -27.1 | -174.9 | -61.4 | 0 | 0 | 0 | 0 | 113.7 | L1242 Q1243 S1253 L1327 | L1242-C1246 WeakPolarHBondContact O-CB 3.47Å; L1242-C1246 PolarHBondContact O-N 3.42Å; L1242-C1246 PolarHBondContact O-SG 2.86Å; Q1243-C1246 PolarHBondContact O-N 2.96Å; C1246-S1253 PolarHBondContact O-OG 3.15Å; C1246-S1253 VanDerWaalsContact O-OG 3.06Å; C1246-L1327 HydrophobicContact CB-CD2 3.85Å; C1246-L1327 HydrophobicContact CB-CG 4.48Å |
| 1247 | T | 82.9 | Confident | 87.7 | Confident | 88 Ų | 88 | 26.1 Ų | 26.1 | 54% | 0.54 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -79.1 | -36.2 | 175.9 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | Q1243 | Q1243-T1247 WeakPolarHBondContact O-CB 3.31Å; Q1243-T1247 PolarHBondContact O-N 3.39Å; Q1243-T1247 PolarHBondContact O-OG1 2.85Å; Q1243-T1247 VanDerWaalsContact O-OG1 3.11Å |
| 1248 | S | 77.2 | Confident | 87.5 | Confident | 55 Ų | 55 | 26.8 Ų | 26.8 | 39% | 0.385 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -81.7 | -29.4 | 178.1 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | Q1200 T1244 I1245 | Q1200-S1248 PolarHBondContact NE2-OG 2.74Å; Q1200-S1248 PolarHBondContact OE1-OG 3.34Å; T1244-S1248 WeakPolarHBondContact O-CB 3.46Å; T1244-S1248 PolarHBondContact O-N 3.15Å; T1244-S1248 VanDerWaalsContact O-N 3.16Å; T1244-S1248 PolarHBondContact O-OG 2.88Å; I1245-S1248 PolarHBondContact O-OG 2.82Å |
| 1249 | N | 80.8 | Confident | 87.1 | Confident | 15 Ų | 15 | 27.2 Ų | 27.2 | 8% | 0.08 | 16% | 0.162 | C | C | . | . | trans | -124.5 | 108.8 | -171.6 | -160.9 | -61.3 | 0 | 0 | 0 | 112.6 | Q1200 L1204 I1245 A1251 A1252 S1253 | Q1200-N1249 PolarHBondContact OE1-ND2 2.88Å; L1204-N1249 HydrophobicContact CD1-CB 4.36Å; L1204-N1249 WeakPolarHBondContact CD1-OD1 3.47Å; I1245-N1249 VanDerWaalsContact O-CB 3.29Å; I1245-N1249 WeakPolarHBondContact O-CB 3.49Å; I1245-N1249 PolarHBondContact O-N 3.19Å; N1249-A1251 VanDerWaalsContact C-N 3.26Å; N1249-A1251 PolarHBondContact O-N 3.41Å; N1249-A1251 WeakPolarHBondContact OD1-CB 3.35Å; N1249-A1251 PolarHBondContact OD1-N 3.06Å; N1249-A1251 VanDerWaalsContact OD1-N 3.11Å; N1249-A1252 HydrophobicContact CB-CB 4.14Å; N1249-A1252 VanDerWaalsContact O-CB 3.27Å; N1249-A1252 WeakPolarHBondContact O-CB 3.44Å; N1249-A1252 PolarHBondContact O-N 3.49Å; N1249-A1252 VanDerWaalsContact O-N 3.09Å; N1249-A1252 PolarHBondContact OD1-N 3.18Å; N1249-S1253 PolarHBondContact O-N 3.38Å | ||
| 1250 | I | 79.8 | Confident | 87 | Confident | 97 Ų | 97 | 27.8 Ų | 27.8 | 50% | 0.497 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60.7 | -35.6 | -179.6 | -60.7 | 176.5 | 0 | 0 | 0 | 111.5 | A1252 S1253 I1254 L1334 | I1250-A1252 VanDerWaalsContact C-N 3.29Å; I1250-A1252 PolarHBondContact O-N 3.02Å; I1250-S1253 WeakPolarHBondContact O-CB 3.18Å; I1250-S1253 PolarHBondContact O-N 2.85Å; I1250-S1253 VanDerWaalsContact O-N 3.14Å; I1250-I1254 HydrophobicContact CG2-CD1 4.24Å; I1250-I1254 WeakPolarHBondContact O-CG1 3.41Å; I1250-I1254 PolarHBondContact O-N 3.47Å; I1250-L1334 HydrophobicContact CG2-CB 4.46Å; I1250-L1334 HydrophobicContact CG2-CD1 4.1Å; I1250-L1334 HydrophobicContact CG2-CD2 3.92Å; I1250-L1334 HydrophobicContact CG2-CG 4.4Å |
| 1251 | A | 81.3 | Confident | 87 | Confident | 54 Ų | 54 | 26.4 Ų | 26.4 | 45% | 0.446 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -67.3 | -28.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1249 I1254 H1255 | N1249-A1251 VanDerWaalsContact C-N 3.26Å; N1249-A1251 PolarHBondContact O-N 3.41Å; N1249-A1251 WeakPolarHBondContact OD1-CB 3.35Å; N1249-A1251 PolarHBondContact OD1-N 3.06Å; N1249-A1251 VanDerWaalsContact OD1-N 3.11Å; A1251-I1254 PolarHBondContact O-N 3.43Å; A1251-H1255 WeakPolarHBondContact O-CB 3.5Å; A1251-H1255 PolarHBondContact O-N 2.67Å |
| 1252 | A | 86.5 | Confident | 87 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.2 | -44 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1204 I1245 N1249 I1250 H1255 M1256 | L1204-A1252 HydrophobicContact CD1-CB 3.92Å; L1204-A1252 HydrophobicContact CD2-CB 3.58Å; L1204-A1252 HydrophobicContact CG-CB 4.36Å; I1245-A1252 HydrophobicContact CG2-CB 3.69Å; N1249-A1252 HydrophobicContact CB-CB 4.14Å; N1249-A1252 VanDerWaalsContact O-CB 3.27Å; N1249-A1252 WeakPolarHBondContact O-CB 3.44Å; N1249-A1252 PolarHBondContact O-N 3.49Å; N1249-A1252 VanDerWaalsContact O-N 3.09Å; N1249-A1252 PolarHBondContact OD1-N 3.18Å; I1250-A1252 VanDerWaalsContact C-N 3.29Å; I1250-A1252 PolarHBondContact O-N 3.02Å; A1252-H1255 PolarHBondContact O-N 3.06Å; A1252-M1256 PolarHBondContact O-N 3.39Å |
| 1253 | S | 86.5 | Confident | 87 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.7 | -45.7 | 175.4 | -72.3 | 0 | 0 | 0 | 0 | 111.2 | C1246 N1249 I1250 H1255 M1256 L1257 F1331 | C1246-S1253 PolarHBondContact O-OG 3.15Å; C1246-S1253 VanDerWaalsContact O-OG 3.06Å; N1249-S1253 PolarHBondContact O-N 3.38Å; I1250-S1253 WeakPolarHBondContact O-CB 3.18Å; I1250-S1253 PolarHBondContact O-N 2.85Å; I1250-S1253 VanDerWaalsContact O-N 3.14Å; S1253-H1255 VanDerWaalsContact C-N 3.33Å; S1253-H1255 PolarHBondContact O-N 3.11Å; S1253-M1256 WeakPolarHBondContact O-CB 3.43Å; S1253-M1256 PolarHBondContact O-N 2.95Å; S1253-M1256 VanDerWaalsContact O-N 3.17Å; S1253-L1257 PolarHBondContact O-N 3.33Å; S1253-L1257 VanDerWaalsContact O-N 3.13Å; S1253-F1331 WeakPolarHBondContact O-CE1 3.48Å |
| 1254 | I | 85.3 | Confident | 87.1 | Confident | 27 Ų | 27 | 24.9 Ų | 24.9 | 14% | 0.138 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55 | -48.5 | 173.5 | -65.7 | 170.3 | 0 | 0 | 0 | 110.8 | I1250 A1251 M1256 L1257 L1258 L1334 V1402 | I1250-I1254 HydrophobicContact CG2-CD1 4.24Å; I1250-I1254 WeakPolarHBondContact O-CG1 3.41Å; I1250-I1254 PolarHBondContact O-N 3.47Å; A1251-I1254 PolarHBondContact O-N 3.43Å; I1254-M1256 PolarHBondContact O-N 2.96Å; I1254-L1257 PolarHBondContact O-N 2.91Å; I1254-L1258 HydrophobicContact CG2-CD1 3.63Å; I1254-L1258 HydrophobicContact CG2-CG 4.14Å; I1254-L1258 WeakPolarHBondContact O-CG 3.45Å; I1254-L1258 PolarHBondContact O-N 3.09Å; I1254-L1334 HydrophobicContact CD1-CD2 3.59Å; I1254-L1334 HydrophobicContact CG1-CD2 3.34Å; I1254-V1402 HydrophobicContact CD1-CB 4.26Å |
| 1255 | H | 86.5 | Confident | 87.3 | Confident | 25 Ų | 25 | 23 Ų | 23 | 12% | 0.116 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.3 | -40.8 | 178.6 | -172.1 | -52.1 | 0 | 0 | 0 | 112 | L1209 A1251 A1252 S1253 L1257 L1258 S1259 | L1209-H1255 HydrophobicContact CD2-CB 3.89Å; A1251-H1255 WeakPolarHBondContact O-CB 3.5Å; A1251-H1255 PolarHBondContact O-N 2.67Å; A1252-H1255 PolarHBondContact O-N 3.06Å; S1253-H1255 VanDerWaalsContact C-N 3.33Å; S1253-H1255 PolarHBondContact O-N 3.11Å; H1255-L1257 VanDerWaalsContact C-N 3.29Å; H1255-L1257 PolarHBondContact O-N 3.23Å; H1255-L1258 PolarHBondContact O-N 2.98Å; H1255-S1259 WeakPolarHBondContact O-CB 3.34Å; H1255-S1259 PolarHBondContact O-N 3.5Å; H1255-S1259 PolarHBondContact O-OG 2.93Å |
| 1256 | M | 90.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56 | -43.8 | 175.8 | -83.9 | -59.9 | -73.8 | 0 | 0 | 112.3 | L1209 V1213 L1242 A1252 S1253 I1254 N1261 V1262 L1265 L1327 | L1209-M1256 HydrophobicContact CD1-CG 3.83Å; L1209-M1256 HydrophobicContact CD1-SD 3.62Å; L1209-M1256 HydrophobicContact CD2-CG 3.86Å; L1209-M1256 HydrophobicContact CD2-SD 3.97Å; L1209-M1256 HydrophobicContact CG-CG 4.14Å; L1209-M1256 HydrophobicContact CG-SD 3.71Å; V1213-M1256 HydrophobicContact CG2-CE 3.74Å; V1213-M1256 HydrophobicContact CG2-SD 3.68Å; L1242-M1256 HydrophobicContact CD1-SD 4.41Å; A1252-M1256 PolarHBondContact O-N 3.39Å; S1253-M1256 WeakPolarHBondContact O-CB 3.43Å; S1253-M1256 PolarHBondContact O-N 2.95Å; S1253-M1256 VanDerWaalsContact O-N 3.17Å; I1254-M1256 PolarHBondContact O-N 2.96Å; M1256-N1261 HydrophobicContact CE-CB 3.66Å; M1256-N1261 PolarHBondContact O-N 2.89Å; M1256-N1261 VanDerWaalsContact O-N 3.09Å; M1256-N1261 HydrophobicContact SD-CB 3.47Å; M1256-N1261 WeakPolarHBondContact SD-CB 3.43Å; M1256-V1262 HydrophobicContact CB-CG2 4.07Å; M1256-V1262 HydrophobicContact CE-CG2 4.32Å; M1256-L1265 HydrophobicContact CE-CD1 3.75Å; M1256-L1265 HydrophobicContact CE-CG 4.32Å; M1256-L1327 HydrophobicContact CB-CD2 3.88Å; M1256-L1327 HydrophobicContact CE-CD1 3.83Å; M1256-L1327 HydrophobicContact CG-CD1 4.42Å; M1256-L1327 HydrophobicContact CG-CD2 3.85Å |
| 1257 | L | 89.3 | Confident | 88 | Confident | 9 Ų | 9 | 23.7 Ų | 23.7 | 5% | 0.047 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.1 | -51.5 | 178.6 | -179.7 | 63.8 | 0 | 0 | 0 | 111.6 | S1253 I1254 H1255 S1259 N1260 F1331 I1404 L1409 L1412 | S1253-L1257 PolarHBondContact O-N 3.33Å; S1253-L1257 VanDerWaalsContact O-N 3.13Å; I1254-L1257 PolarHBondContact O-N 2.91Å; H1255-L1257 VanDerWaalsContact C-N 3.29Å; H1255-L1257 PolarHBondContact O-N 3.23Å; L1257-S1259 PolarHBondContact O-N 3.02Å; L1257-N1260 PolarHBondContact O-N 3.46Å; L1257-N1260 VanDerWaalsContact O-N 3.13Å; L1257-F1331 HydrophobicContact CB-CE1 3.9Å; L1257-F1331 HydrophobicContact CB-CZ 3.94Å; L1257-F1331 HydrophobicContact CD1-CE2 4.37Å; L1257-F1331 HydrophobicContact CD1-CZ 4.49Å; L1257-F1331 HydrophobicContact CD2-CD1 4.49Å; L1257-I1404 HydrophobicContact CD2-CD1 3.76Å; L1257-I1404 HydrophobicContact CD2-CG1 4.23Å; L1257-I1404 HydrophobicContact CD2-CG2 3.71Å; L1257-L1409 HydrophobicContact CD2-CD1 4.27Å; L1257-L1412 HydrophobicContact CD1-CB 4.32Å; L1257-L1412 HydrophobicContact CD1-CD2 3.59Å |
| 1258 | L | 88.4 | Confident | 88.4 | Confident | 32 Ų | 32 | 19.5 Ų | 19.5 | 17% | 0.168 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.8 | -35.5 | -173.1 | -66.3 | -178 | 0 | 0 | 0 | 113.1 | G1113 F1116 I1254 H1255 N1260 R1408 | G1113-L1258 WeakPolarHBondContact CA-O 3.22Å; F1116-L1258 HydrophobicContact CB-CB 4.46Å; F1116-L1258 HydrophobicContact CD1-CB 3.7Å; F1116-L1258 HydrophobicContact CD2-CB 3.74Å; F1116-L1258 HydrophobicContact CD2-CD1 3.91Å; F1116-L1258 HydrophobicContact CD2-CG 4.43Å; F1116-L1258 HydrophobicContact CE1-CB 3.78Å; F1116-L1258 HydrophobicContact CE2-CB 3.82Å; F1116-L1258 HydrophobicContact CE2-CD1 3.55Å; F1116-L1258 HydrophobicContact CE2-CG 4.35Å; F1116-L1258 HydrophobicContact CG-CB 3.67Å; F1116-L1258 HydrophobicContact CZ-CB 3.84Å; F1116-L1258 HydrophobicContact CZ-CD1 4.06Å; I1254-L1258 HydrophobicContact CG2-CD1 3.63Å; I1254-L1258 HydrophobicContact CG2-CG 4.14Å; I1254-L1258 WeakPolarHBondContact O-CG 3.45Å; I1254-L1258 PolarHBondContact O-N 3.09Å; H1255-L1258 PolarHBondContact O-N 2.98Å; L1258-N1260 PolarHBondContact O-N 2.73Å; L1258-R1408 HydrophobicContact CD2-CG 4.38Å; L1258-R1408 PolarHBondContact O-NH1 3.04Å |
| 1259 | S | 88.3 | Confident | 89.1 | Confident | 8 Ų | 8 | 16.9 Ų | 16.9 | 6% | 0.056 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -4 | 174.3 | 79.6 | 0 | 0 | 0 | 0 | 114 | H1255 L1257 N1261 | H1255-S1259 WeakPolarHBondContact O-CB 3.34Å; H1255-S1259 PolarHBondContact O-N 3.5Å; H1255-S1259 PolarHBondContact O-OG 2.93Å; L1257-S1259 PolarHBondContact O-N 3.02Å; S1259-N1261 PolarHBondContact O-N 2.96Å; S1259-N1261 WeakPolarHBondContact OG-CB 3.42Å; S1259-N1261 PolarHBondContact OG-N 3.27Å; S1259-N1261 PolarHBondContact OG-ND2 3.33Å; S1259-N1261 PolarHBondContact OG-OD1 2.99Å; S1259-N1261 VanDerWaalsContact OG-OD1 3.1Å |
| 1260 | N | 90.9 | Very high | 89.6 | Confident | 12 Ų | 12 | 17.6 Ų | 17.6 | 6% | 0.064 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 19.4 | -172.8 | -165.5 | 38.5 | 0 | 0 | 0 | 115.4 | M1109 N1110 L1257 L1258 V1262 S1263 | M1109-N1260 WeakPolarHBondContact CB-ND2 3.5Å; M1109-N1260 VanDerWaalsContact CE-OD1 3.29Å; M1109-N1260 WeakPolarHBondContact CE-OD1 3.25Å; N1110-N1260 PolarHBondContact N-ND2 2.63Å; N1110-N1260 PolarHBondContact OD1-ND2 3.3Å; L1257-N1260 PolarHBondContact O-N 3.46Å; L1257-N1260 VanDerWaalsContact O-N 3.13Å; L1258-N1260 PolarHBondContact O-N 2.73Å; N1260-V1262 PolarHBondContact O-N 3.39Å; N1260-S1263 PolarHBondContact ND2-OG 2.95Å; N1260-S1263 VanDerWaalsContact ND2-OG 3.08Å; N1260-S1263 WeakPolarHBondContact O-CB 3.26Å; N1260-S1263 PolarHBondContact O-N 2.95Å; N1260-S1263 VanDerWaalsContact O-N 3.12Å; N1260-S1263 PolarHBondContact O-OG 2.74Å; N1260-S1263 WeakPolarHBondContact OD1-CB 3.39Å |
| 1261 | N | 92.1 | Very high | 90 | Very high | 14 Ų | 14 | 15.5 Ų | 15.5 | 8% | 0.075 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -28.8 | 179 | -82.1 | 7.3 | 0 | 0 | 0 | 112.7 | V1213 M1256 S1259 S1263 I1264 | V1213-N1261 HydrophobicContact CB-CB 4.46Å; V1213-N1261 HydrophobicContact CG1-CB 3.96Å; V1213-N1261 HydrophobicContact CG2-CB 4.1Å; M1256-N1261 HydrophobicContact CE-CB 3.66Å; M1256-N1261 PolarHBondContact O-N 2.89Å; M1256-N1261 VanDerWaalsContact O-N 3.09Å; M1256-N1261 HydrophobicContact SD-CB 3.47Å; M1256-N1261 WeakPolarHBondContact SD-CB 3.43Å; S1259-N1261 PolarHBondContact O-N 2.96Å; S1259-N1261 WeakPolarHBondContact OG-CB 3.42Å; S1259-N1261 PolarHBondContact OG-N 3.27Å; S1259-N1261 PolarHBondContact OG-ND2 3.33Å; S1259-N1261 PolarHBondContact OG-OD1 2.99Å; S1259-N1261 VanDerWaalsContact OG-OD1 3.1Å; N1261-S1263 PolarHBondContact O-N 2.78Å; N1261-I1264 WeakPolarHBondContact O-CB 3.44Å; N1261-I1264 PolarHBondContact O-N 2.8Å |
| 1262 | V | 93.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.006 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -54.8 | -34.8 | 175.1 | -169.9 | 0 | 0 | 0 | 0 | 111.9 | M1256 N1260 I1264 L1265 V1266 L1324 F1331 L1412 | M1256-V1262 HydrophobicContact CB-CG2 4.07Å; M1256-V1262 HydrophobicContact CE-CG2 4.32Å; N1260-V1262 PolarHBondContact O-N 3.39Å; V1262-I1264 PolarHBondContact O-N 2.88Å; V1262-L1265 PolarHBondContact O-N 2.83Å; V1262-L1265 VanDerWaalsContact O-N 3.12Å; V1262-V1266 PolarHBondContact O-N 3.39Å; V1262-V1266 VanDerWaalsContact O-N 3.15Å; V1262-L1324 HydrophobicContact CG1-CD1 3.45Å; V1262-L1324 VanDerWaalsContact CG1-CD1 3.45Å; V1262-F1331 HydrophobicContact CG2-CE2 4.22Å; V1262-F1331 HydrophobicContact CG2-CZ 3.87Å; V1262-L1412 HydrophobicContact CB-CD1 4.11Å; V1262-L1412 HydrophobicContact CB-CD2 4.4Å; V1262-L1412 HydrophobicContact CG1-CD1 3.87Å; V1262-L1412 HydrophobicContact CG1-CD2 4.11Å; V1262-L1412 HydrophobicContact CG2-CD2 4.5Å |
| 1263 | S | 93.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.007 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.8 | -22.9 | -180 | 71.4 | 0 | 0 | 0 | 0 | 114 | R1106 N1260 N1261 D1267 | R1106-S1263 PolarHBondContact NE-OG 3.02Å; R1106-S1263 PolarHBondContact NH2-OG 3.34Å; N1260-S1263 PolarHBondContact ND2-OG 2.95Å; N1260-S1263 VanDerWaalsContact ND2-OG 3.08Å; N1260-S1263 WeakPolarHBondContact O-CB 3.26Å; N1260-S1263 PolarHBondContact O-N 2.95Å; N1260-S1263 VanDerWaalsContact O-N 3.12Å; N1260-S1263 PolarHBondContact O-OG 2.74Å; N1260-S1263 WeakPolarHBondContact OD1-CB 3.39Å; N1261-S1263 PolarHBondContact O-N 2.78Å; S1263-D1267 PolarHBondContact O-N 2.91Å; S1263-D1267 VanDerWaalsContact O-N 3.14Å |
| 1264 | I | 92.5 | Very high | 90.1 | Very high | 32 Ų | 32 | 17.4 Ų | 17.4 | 16% | 0.164 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -76.6 | -38.6 | 176.2 | -60.9 | 169.2 | 0 | 0 | 0 | 110.1 | V1213 N1261 V1262 V1266 D1267 C1268 | V1213-I1264 HydrophobicContact CG1-CB 3.92Å; V1213-I1264 HydrophobicContact CG1-CD1 3.71Å; V1213-I1264 HydrophobicContact CG1-CG1 4.38Å; V1213-I1264 HydrophobicContact CG1-CG2 4.06Å; N1261-I1264 WeakPolarHBondContact O-CB 3.44Å; N1261-I1264 PolarHBondContact O-N 2.8Å; V1262-I1264 PolarHBondContact O-N 2.88Å; I1264-V1266 VanDerWaalsContact C-N 3.33Å; I1264-V1266 PolarHBondContact O-N 2.93Å; I1264-D1267 WeakPolarHBondContact O-CB 3.42Å; I1264-D1267 PolarHBondContact O-N 3.3Å; I1264-C1268 PolarHBondContact O-N 2.57Å; I1264-C1268 PolarHBondContact O-SG 2.63Å |
| 1265 | L | 94.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.8 | -41.1 | 174.7 | -51.4 | -179.1 | 0 | 0 | 0 | 111.1 | I1216 L1242 M1256 V1262 C1268 L1269 L1320 L1327 | I1216-L1265 HydrophobicContact CD1-CD2 4.43Å; I1216-L1265 HydrophobicContact CG2-CD2 4.01Å; L1242-L1265 HydrophobicContact CD2-CD1 4.15Å; L1242-L1265 HydrophobicContact CD2-CD2 4.13Å; M1256-L1265 HydrophobicContact CE-CD1 3.75Å; M1256-L1265 HydrophobicContact CE-CG 4.32Å; V1262-L1265 PolarHBondContact O-N 2.83Å; V1262-L1265 VanDerWaalsContact O-N 3.12Å; L1265-C1268 PolarHBondContact O-N 2.96Å; L1265-L1269 WeakPolarHBondContact O-CG 3.31Å; L1265-L1269 PolarHBondContact O-N 2.78Å; L1265-L1320 HydrophobicContact CB-CD1 4.21Å; L1265-L1320 HydrophobicContact CD2-CD1 3.82Å; L1265-L1327 HydrophobicContact CD1-CD1 3.63Å |
| 1266 | V | 94.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 174.5 | 175 | 0 | 0 | 0 | 0 | 111.4 | V1262 I1264 L1269 V1270 L1324 Y1415 I1416 L1421 | V1262-V1266 PolarHBondContact O-N 3.39Å; V1262-V1266 VanDerWaalsContact O-N 3.15Å; I1264-V1266 VanDerWaalsContact C-N 3.33Å; I1264-V1266 PolarHBondContact O-N 2.93Å; V1266-L1269 PolarHBondContact O-N 3.09Å; V1266-V1270 WeakPolarHBondContact O-CG2 3.41Å; V1266-V1270 PolarHBondContact O-N 3.3Å; V1266-L1324 HydrophobicContact CG2-CD1 4.31Å; V1266-L1324 HydrophobicContact CG2-CD2 3.94Å; V1266-Y1415 HydrophobicContact CB-CE1 4.12Å; V1266-Y1415 HydrophobicContact CG1-CD1 4.1Å; V1266-Y1415 HydrophobicContact CG1-CE1 3.77Å; V1266-I1416 HydrophobicContact CG2-CG1 3.88Å; V1266-L1421 HydrophobicContact CG1-CD1 4.06Å |
| 1267 | D | 92.9 | Very high | 86.6 | Confident | 25 Ų | 25 | 22.8 Ų | 22.8 | 13% | 0.134 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.2 | -48.6 | 173.9 | -72.7 | -2.8 | 0 | 0 | 0 | 111.8 | R1106 R1220 S1263 I1264 L1269 V1270 I1271 Y1415 | R1106-D1267 IonicContact CZ-OD1 3.19Å; R1106-D1267 IonicContact CZ-OD2 3.81Å; R1106-D1267 IonicContact NH1-OD1 2.7Å; R1106-D1267 PolarHBondContact NH1-OD1 3.45Å; R1106-D1267 IonicContact NH1-OD2 4Å; R1106-D1267 PolarHBondContact NH1-OD2 3.25Å; R1106-D1267 IonicContact NH2-OD1 2.85Å; R1106-D1267 IonicContact NH2-OD2 2.8Å; R1106-D1267 PolarHBondContact NH2-OD2 3.48Å; R1220-D1267 HydrophobicContact CG-CB 4.15Å; R1220-D1267 IonicContact NE-OD2 2.73Å; R1220-D1267 PolarHBondContact NE-OD2 2.95Å; S1263-D1267 PolarHBondContact O-N 2.91Å; S1263-D1267 VanDerWaalsContact O-N 3.14Å; I1264-D1267 WeakPolarHBondContact O-CB 3.42Å; I1264-D1267 PolarHBondContact O-N 3.3Å; D1267-L1269 VanDerWaalsContact C-N 3.31Å; D1267-L1269 PolarHBondContact O-N 2.91Å; D1267-V1270 PolarHBondContact O-N 2.89Å; D1267-I1271 WeakPolarHBondContact O-CG1 3.48Å; D1267-I1271 PolarHBondContact O-N 3.09Å; D1267-Y1415 PolarHBondContact OD1-OH 3.47Å |
| 1268 | C | 92.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.5 | -38.6 | -178.7 | -68.2 | 0 | 0 | 0 | 0 | 111.3 | I1216 I1219 I1264 L1265 Q1272 L1320 | I1216-C1268 PolarHBondContact O-SG 2.71Å; I1216-C1268 VanDerWaalsContact O-SG 3.34Å; I1219-C1268 HydrophobicContact CB-CB 4.35Å; I1219-C1268 HydrophobicContact CD1-CB 4.45Å; I1219-C1268 HydrophobicContact CG2-CB 4.21Å; I1264-C1268 PolarHBondContact O-N 2.57Å; I1264-C1268 PolarHBondContact O-SG 2.63Å; L1265-C1268 PolarHBondContact O-N 2.96Å; C1268-Q1272 WeakPolarHBondContact O-CB 3.44Å; C1268-Q1272 VanDerWaalsContact O-CG 3.26Å; C1268-Q1272 WeakPolarHBondContact O-CG 3.41Å; C1268-Q1272 PolarHBondContact O-N 3.01Å; C1268-L1320 HydrophobicContact CB-CD2 3.58Å |
| 1269 | L | 92.6 | Very high | 81.2 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.9 | -45.3 | 173.2 | -75.8 | 168.8 | 0 | 0 | 0 | 112.8 | L1265 V1266 D1267 I1271 Q1272 F1273 L1320 L1321 L1324 L1421 | L1265-L1269 WeakPolarHBondContact O-CG 3.31Å; L1265-L1269 PolarHBondContact O-N 2.78Å; V1266-L1269 PolarHBondContact O-N 3.09Å; D1267-L1269 VanDerWaalsContact C-N 3.31Å; D1267-L1269 PolarHBondContact O-N 2.91Å; L1269-I1271 VanDerWaalsContact C-N 3.29Å; L1269-I1271 PolarHBondContact O-N 2.58Å; L1269-Q1272 PolarHBondContact O-N 3.32Å; L1269-F1273 HydrophobicContact CB-CD2 4.39Å; L1269-F1273 HydrophobicContact CB-CE2 4.42Å; L1269-F1273 HydrophobicContact CD2-CE2 4.03Å; L1269-F1273 WeakPolarHBondContact O-CB 3.46Å; L1269-F1273 VanDerWaalsContact O-CD2 3.22Å; L1269-F1273 WeakPolarHBondContact O-CD2 3.21Å; L1269-F1273 PolarHBondContact O-N 3Å; L1269-L1320 HydrophobicContact CD1-CG 4.4Å; L1269-L1320 HydrophobicContact CD2-CB 4.03Å; L1269-L1320 HydrophobicContact CD2-CD2 3.82Å; L1269-L1320 HydrophobicContact CD2-CG 3.79Å; L1269-L1320 HydrophobicContact CG-CD2 3.73Å; L1269-L1320 HydrophobicContact CG-CG 3.77Å; L1269-L1321 HydrophobicContact CD1-CD1 4.16Å; L1269-L1321 HydrophobicContact CD2-CB 4.08Å; L1269-L1324 HydrophobicContact CD1-CB 4.16Å; L1269-L1324 HydrophobicContact CD1-CD2 3.62Å; L1269-L1421 HydrophobicContact CB-CD1 3.7Å; L1269-L1421 HydrophobicContact CD1-CD1 4Å |
| 1270 | V | 91 | Very high | 78.1 | Confident | 30 Ų | 30 | 33.6 Ų | 33.6 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.5 | -42.3 | 176.7 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | V1266 D1267 T1274 L1421 L1424 | V1266-V1270 WeakPolarHBondContact O-CG2 3.41Å; V1266-V1270 PolarHBondContact O-N 3.3Å; D1267-V1270 PolarHBondContact O-N 2.89Å; V1270-T1274 VanDerWaalsContact O-CB 3.25Å; V1270-T1274 WeakPolarHBondContact O-CB 3.11Å; V1270-T1274 PolarHBondContact O-N 3.21Å; V1270-T1274 PolarHBondContact O-OG1 3.37Å; V1270-L1421 HydrophobicContact CG2-CB 3.76Å; V1270-L1421 HydrophobicContact CG2-CD1 4.39Å; V1270-L1421 HydrophobicContact CG2-CG 4.43Å; V1270-L1424 HydrophobicContact CB-CD1 4.47Å; V1270-L1424 HydrophobicContact CG1-CD1 4.06Å |
| 1271 | I | 87.8 | Confident | 74.8 | Confident | 53 Ų | 53 | 35.1 Ų | 35.1 | 27% | 0.272 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.9 | -50.1 | 176.4 | -69.4 | 172.8 | 0 | 0 | 0 | 110.8 | R1220 D1267 L1269 F1273 T1274 L1275 | R1220-I1271 HydrophobicContact CB-CD1 4.01Å; R1220-I1271 HydrophobicContact CG-CD1 3.78Å; D1267-I1271 WeakPolarHBondContact O-CG1 3.48Å; D1267-I1271 PolarHBondContact O-N 3.09Å; L1269-I1271 VanDerWaalsContact C-N 3.29Å; L1269-I1271 PolarHBondContact O-N 2.58Å; I1271-F1273 PolarHBondContact O-N 3.36Å; I1271-T1274 PolarHBondContact O-N 3.45Å; I1271-L1275 HydrophobicContact CG2-CD1 3.72Å; I1271-L1275 HydrophobicContact CG2-CG 4.29Å; I1271-L1275 WeakPolarHBondContact O-CB 3.46Å; I1271-L1275 WeakPolarHBondContact O-CG 3.37Å; I1271-L1275 PolarHBondContact O-N 2.9Å |
| 1272 | Q | 87 | Confident | 71.5 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 7% | 0.07 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | -179.7 | -74.9 | -67.7 | 13.3 | 0 | 0 | 112.1 | I1219 C1268 L1269 L1275 S1276 T1317 | I1219-Q1272 HydrophobicContact CG2-CG 3.99Å; C1268-Q1272 WeakPolarHBondContact O-CB 3.44Å; C1268-Q1272 VanDerWaalsContact O-CG 3.26Å; C1268-Q1272 WeakPolarHBondContact O-CG 3.41Å; C1268-Q1272 PolarHBondContact O-N 3.01Å; L1269-Q1272 PolarHBondContact O-N 3.32Å; Q1272-L1275 PolarHBondContact O-N 2.95Å; Q1272-S1276 WeakPolarHBondContact O-CB 3.47Å; Q1272-S1276 PolarHBondContact O-N 2.78Å; Q1272-S1276 PolarHBondContact O-OG 2.89Å; Q1272-T1317 HydrophobicContact CB-CG2 3.97Å |
| 1273 | F | 86 | Confident | 68.2 | Low | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65 | -41.7 | 175.6 | -77.5 | -54.9 | 0 | 0 | 0 | 112.5 | L1269 I1271 S1276 I1277 T1317 L1321 L1424 I1425 F1464 | L1269-F1273 HydrophobicContact CB-CD2 4.39Å; L1269-F1273 HydrophobicContact CB-CE2 4.42Å; L1269-F1273 HydrophobicContact CD2-CE2 4.03Å; L1269-F1273 WeakPolarHBondContact O-CB 3.46Å; L1269-F1273 VanDerWaalsContact O-CD2 3.22Å; L1269-F1273 WeakPolarHBondContact O-CD2 3.21Å; L1269-F1273 PolarHBondContact O-N 3Å; I1271-F1273 PolarHBondContact O-N 3.36Å; F1273-S1276 PolarHBondContact O-N 2.63Å; F1273-I1277 WeakPolarHBondContact O-CG1 3.46Å; F1273-I1277 PolarHBondContact O-N 2.88Å; F1273-I1277 VanDerWaalsContact O-N 3.12Å; F1273-T1317 HydrophobicContact CD1-CG2 4.35Å; F1273-T1317 HydrophobicContact CE1-CG2 3.94Å; F1273-T1317 HydrophobicContact CZ-CG2 4.08Å; F1273-L1321 HydrophobicContact CZ-CD2 4.37Å; F1273-L1424 HydrophobicContact CB-CB 4.04Å; F1273-L1424 HydrophobicContact CB-CD1 4.11Å; F1273-L1424 HydrophobicContact CB-CG 4.5Å; F1273-I1425 HydrophobicContact CD2-CG1 4.4Å; F1273-I1425 HydrophobicContact CE2-CD1 4.14Å; F1273-I1425 HydrophobicContact CE2-CG1 3.88Å; F1273-I1425 HydrophobicContact CZ-CD1 4.49Å; F1273-I1425 HydrophobicContact CZ-CG1 4.11Å; F1273-F1464 HydrophobicContact CE1-CD2 4.44Å; F1273-F1464 AromaticContact CE1-CE2 3.58Å; F1273-F1464 HydrophobicContact CE1-CE2 3.58Å; F1273-F1464 HydrophobicContact CE1-CZ 4.3Å; F1273-F1464 AromaticContact CZ-CE2 3.91Å; F1273-F1464 HydrophobicContact CZ-CE2 3.91Å |
| 1274 | T | 82.6 | Confident | 64.9 | Low | 78 Ų | 78 | 53 Ų | 53 | 48% | 0.479 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 177.7 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | V1270 I1271 | V1270-T1274 VanDerWaalsContact O-CB 3.25Å; V1270-T1274 WeakPolarHBondContact O-CB 3.11Å; V1270-T1274 PolarHBondContact O-N 3.21Å; V1270-T1274 PolarHBondContact O-OG1 3.37Å; I1271-T1274 PolarHBondContact O-N 3.45Å |
| 1275 | L | 73.1 | Confident | 61.5 | Low | 84 Ų | 84 | 59.5 Ų | 59.5 | 44% | 0.44 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.7 | -39.5 | 176.3 | -69.9 | 174.2 | 0 | 0 | 0 | 112.2 | P1224 I1271 Q1272 I1277 | P1224-L1275 HydrophobicContact CB-CD2 3.96Å; P1224-L1275 HydrophobicContact CG-CD2 4.02Å; I1271-L1275 HydrophobicContact CG2-CD1 3.72Å; I1271-L1275 HydrophobicContact CG2-CG 4.29Å; I1271-L1275 WeakPolarHBondContact O-CB 3.46Å; I1271-L1275 WeakPolarHBondContact O-CG 3.37Å; I1271-L1275 PolarHBondContact O-N 2.9Å; Q1272-L1275 PolarHBondContact O-N 2.95Å; L1275-I1277 VanDerWaalsContact C-N 3.28Å; L1275-I1277 PolarHBondContact O-N 3.06Å |
| 1276 | S | 62.8 | Low | 58.1 | Low | 18 Ų | 18 | 63.3 Ų | 63.3 | 13% | 0.126 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -78.1 | -6.4 | -176.4 | -61.2 | 0 | 0 | 0 | 0 | 113.7 | Q1272 F1273 P1278 R1428 | Q1272-S1276 WeakPolarHBondContact O-CB 3.47Å; Q1272-S1276 PolarHBondContact O-N 2.78Å; Q1272-S1276 PolarHBondContact O-OG 2.89Å; F1273-S1276 PolarHBondContact O-N 2.63Å; S1276-P1278 WeakPolarHBondContact O-CD 3.28Å; S1276-P1278 VanDerWaalsContact O-N 3.16Å; S1276-R1428 PolarHBondContact O-NH2 3.36Å |
| 1277 | I | 53.2 | Low | 54.7 | Low | 62 Ų | 62 | 69.6 Ų | 69.6 | 32% | 0.318 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -60.2 | 117.1 | 173.7 | -79.6 | 162.2 | 0 | 0 | 0 | 107.1 | F1273 L1275 N1279 L1424 R1428 | F1273-I1277 WeakPolarHBondContact O-CG1 3.46Å; F1273-I1277 PolarHBondContact O-N 2.88Å; F1273-I1277 VanDerWaalsContact O-N 3.12Å; L1275-I1277 VanDerWaalsContact C-N 3.28Å; L1275-I1277 PolarHBondContact O-N 3.06Å; I1277-N1279 PolarHBondContact O-N 3.47Å; I1277-L1424 HydrophobicContact CD1-CD2 3.74Å; I1277-R1428 VanDerWaalsContact N-NH2 3.19Å |
| 1278 | P | 37.2 | Very low | 51.4 | Low | 71 Ų | 71 | 73 Ų | 73 | 46% | 0.461 | 40% | 0.398 | S | S | . | . | trans | -67.8 | 101 | -176.5 | -20.4 | 34.5 | 0 | 0 | 0 | 109.9 | S1276 N1280 | S1276-P1278 WeakPolarHBondContact O-CD 3.28Å; S1276-P1278 VanDerWaalsContact O-N 3.16Å; P1278-N1280 PolarHBondContact O-N 2.91Å | ||
| 1279 | N | 26.8 | Very low | 48 | Very low | 116 Ų | 116 | 78.7 Ų | 78.7 | 62% | 0.62 | 44% | 0.436 | S | S | * | . | trans | -63.8 | 83.9 | 159.1 | -87.9 | -89.1 | 0 | 0 | 0 | 106.9 | I1277 R1281 | I1277-N1279 PolarHBondContact O-N 3.47Å; N1279-R1281 VanDerWaalsContact C-N 3.35Å; N1279-R1281 PolarHBondContact O-N 2.89Å | ||
| 1280 | N | 24.8 | Very low | 44.6 | Very low | 90 Ų | 90 | 83.5 Ų | 83.5 | 48% | 0.481 | 47% | 0.47 | S | S | . | . | trans | -67.5 | 84.8 | -159.2 | -173.7 | 51.8 | 0 | 0 | 0 | 112.9 | P1278 | P1278-N1280 PolarHBondContact O-N 2.91Š| ||
| 1281 | R | 20.5 | Very low | 41.5 | Very low | 44 Ų | 44 | 88.3 Ų | 88.3 | 17% | 0.166 | 50% | 0.502 | C | S | . | . | trans | -156.9 | 88.5 | 171.4 | -87.1 | -150.8 | -158.1 | 133.4 | 1.4 | 109.5 | K246 P247 Q251 N1279 | K246-R1281 HydrophobicContact CB-CG 3.89Å; K246-R1281 VanDerWaalsContact CB-CZ 3.43Å; K246-R1281 WeakPolarHBondContact O-CD 3.36Å; K246-R1281 WeakPolarHBondContact O-CG 3.47Å; K246-R1281 PolarHBondContact O-NE 3.07Å; P247-R1281 PolarHBondContact O-NE 3.32Å; P247-R1281 VanDerWaalsContact O-NE 3.08Å; P247-R1281 PolarHBondContact O-NH2 3.01Å; Q251-R1281 PolarHBondContact NE2-O 2.93Å; N1279-R1281 VanDerWaalsContact C-N 3.35Å; N1279-R1281 PolarHBondContact O-N 2.89Å | ||
| 1282 | H | 24 | Very low | 38.6 | Very low | 144 Ų | 144 | 93.7 Ų | 93.7 | 67% | 0.667 | 53% | 0.529 | S | S | * | . | trans | 175.5 | 73.5 | 149.4 | -88.1 | -50.9 | 0 | 0 | 0 | 108.8 | Q251 I1284 | Q251-H1282 VanDerWaalsContact CD-CE1 3.46Å; Q251-H1282 PolarHBondContact NE2-CE1 2.87Å; Q251-H1282 VanDerWaalsContact NE2-CE1 3.27Å; Q251-H1282 PolarHBondContact NE2-NE2 3.04Å; H1282-I1284 PolarHBondContact O-N 3.41Å | ||
| 1283 | T | 23.2 | Very low | 35.6 | Very low | 142 Ų | 142 | 98.7 Ų | 98.7 | 87% | 0.871 | 56% | 0.561 | S | S | * | * | trans | -73.4 | 118.7 | 168.2 | 21.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1284 | I | 22.8 | Very low | 32.7 | Very low | 104 Ų | 104 | 105.2 Ų | 105.2 | 53% | 0.533 | 60% | 0.596 | S | S | . | * | trans | -114.2 | 126.3 | 172.3 | -66.1 | 175.3 | 0 | 0 | 0 | 107.8 | H1282 C1286 | H1282-I1284 PolarHBondContact O-N 3.41Å; I1284-C1286 PolarHBondContact O-N 3.48Å | ||
| 1285 | H | 22.3 | Very low | 30.1 | Very low | 170 Ų | 170 | 108.3 Ų | 108.3 | 79% | 0.787 | 61% | 0.605 | S | S | * | * | trans | -71 | 122.9 | 178.3 | -111.7 | -100 | 0 | 0 | 0 | 110.9 | ||||
| 1286 | C | 22.7 | Very low | 27.8 | Very low | 79 Ų | 79 | 112.4 Ų | 112.4 | 53% | 0.534 | 62% | 0.62 | S | S | . | * | trans | -91.9 | 106.2 | 163.7 | -59.2 | 0 | 0 | 0 | 0 | 108.4 | I1284 | I1284-C1286 PolarHBondContact O-N 3.48Š| ||
| 1287 | N | 22.7 | Very low | 25.8 | Very low | 133 Ų | 133 | 116.7 Ų | 116.7 | 71% | 0.711 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 151.9 | 177.2 | -89.2 | 3.5 | 0 | 0 | 0 | 112.1 | ||
| 1288 | P | 23.4 | Very low | 24.5 | Very low | 97 Ų | 97 | 119.6 Ų | 119.6 | 63% | 0.63 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 152.8 | 176.3 | -17.8 | 31.8 | 0 | 0 | 0 | 112.8 | ||
| 1289 | C | 20.6 | Very low | 23.7 | Very low | 118 Ų | 118 | 122.1 Ų | 122.1 | 80% | 0.797 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 133.6 | 177.6 | -170.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1290 | S | 23 | Very low | 23.6 | Very low | 102 Ų | 102 | 122.5 Ų | 122.5 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | trans | -117.9 | 146.9 | 165.4 | -72.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1291 | P | 24.8 | Very low | 23.6 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 84% | 0.844 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 147.6 | -165.5 | 28.8 | -36 | 0 | 0 | 0 | 114 | ||
| 1292 | I | 26.3 | Very low | 23.8 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 129.5 | 179 | -63.7 | 171.5 | 0 | 0 | 0 | 110.5 | ||
| 1293 | T | 25 | Very low | 23.9 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 126.7 | 161 | 50.9 | 0 | 0 | 0 | 0 | 111 | ||
| 1294 | D | 25 | Very low | 23.9 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | 70.6 | 138.9 | 144.5 | -73 | -38.2 | 0 | 0 | 0 | 123.6 | ||||
| 1295 | Q | 27.3 | Very low | 23.8 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | trans | 79.8 | 110.2 | 155 | -43.4 | -137 | 29.4 | 0 | 0 | 121.4 | ||||
| 1296 | K | 25 | Very low | 23.9 | Very low | 171 Ų | 171 | 132.2 Ų | 132.2 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | 65.6 | 98.2 | 125.3 | -67.1 | 175.1 | -175.3 | 151.5 | 0 | 120.2 | |||||
| 1297 | S | 21.9 | Very low | 24.1 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | 46.7 | 100.6 | 120.6 | 64.1 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 1298 | S | 25 | Very low | 24.3 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | -157.7 | 147.3 | 127.4 | -82.6 | 0 | 0 | 0 | 0 | 109.9 | T1300 | S1298-T1300 PolarHBondContact O-N 3.05Š| |||
| 1299 | S | 20.6 | Very low | 24.8 | Very low | 124 Ų | 124 | 131 Ų | 131 | 87% | 0.867 | 74% | 0.74 | S | S | * | * | trans | -88.4 | 101.5 | -174.7 | 54.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1300 | T | 25.8 | Very low | 25.7 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | -125.6 | 144.2 | 163.2 | 38.6 | 0 | 0 | 0 | 0 | 110.7 | S1298 I1302 | S1298-T1300 PolarHBondContact O-N 3.05Å; T1300-I1302 PolarHBondContact O-N 3.31Å | ||
| 1301 | F | 23.3 | Very low | 26.7 | Very low | 213 Ų | 213 | 125 Ų | 125 | 93% | 0.934 | 70% | 0.699 | S | S | * | * | trans | -72.8 | 107 | -169.8 | -148.6 | -107.8 | 0 | 0 | 0 | 110 | E1303 | F1301-E1303 PolarHBondContact O-N 2.85Š| ||
| 1302 | I | 25.8 | Very low | 27.9 | Very low | 145 Ų | 145 | 120.9 Ų | 120.9 | 74% | 0.744 | 67% | 0.672 | S | S | * | * | trans | -86.8 | 105.5 | 178.8 | -61.2 | -179.9 | 0 | 0 | 0 | 109.4 | T1300 Q1304 | T1300-I1302 PolarHBondContact O-N 3.31Å; I1302-Q1304 HydrophobicContact CG2-CG 4.45Å; I1302-Q1304 PolarHBondContact O-N 2.99Å | ||
| 1303 | E | 25.8 | Very low | 29.4 | Very low | 186 Ų | 186 | 115.7 Ų | 115.7 | 87% | 0.869 | 65% | 0.646 | S | S | * | * | trans | -76 | 100.4 | 171.9 | -170.5 | 168.1 | -148.9 | 0 | 0 | 109.6 | F1301 C1305 | F1301-E1303 PolarHBondContact O-N 2.85Å; E1303-C1305 PolarHBondContact O-N 3.5Å | ||
| 1304 | Q | 22.1 | Very low | 31.5 | Very low | 162 Ų | 162 | 113.2 Ų | 113.2 | 76% | 0.757 | 62% | 0.624 | S | S | * | * | trans | -70.9 | 111.6 | -178 | -72 | -174.6 | -84.8 | 0 | 0 | 111.7 | I1302 S1306 | I1302-Q1304 HydrophobicContact CG2-CG 4.45Å; I1302-Q1304 PolarHBondContact O-N 2.99Å; Q1304-S1306 PolarHBondContact O-N 3.09Å; Q1304-S1306 PolarHBondContact O-OG 3.27Å | ||
| 1305 | C | 21.6 | Very low | 34.2 | Very low | 116 Ų | 116 | 108.3 Ų | 108.3 | 78% | 0.784 | 60% | 0.601 | S | S | * | * | trans | -59.7 | 102 | 173.6 | -173.2 | 0 | 0 | 0 | 0 | 111 | E1303 Q1307 | E1303-C1305 PolarHBondContact O-N 3.5Å; C1305-Q1307 PolarHBondContact O-N 2.88Å; C1305-Q1307 VanDerWaalsContact O-N 3.08Å | ||
| 1306 | S | 24.6 | Very low | 37 | Very low | 77 Ų | 77 | 101.6 Ų | 101.6 | 54% | 0.538 | 57% | 0.57 | S | S | . | * | trans | -87.8 | 73.4 | -167.1 | -60.8 | 0 | 0 | 0 | 0 | 112.5 | Q1304 D1308 S1309 | Q1304-S1306 PolarHBondContact O-N 3.09Å; Q1304-S1306 PolarHBondContact O-OG 3.27Å; S1306-D1308 PolarHBondContact O-N 3.09Å; S1306-S1309 PolarHBondContact O-N 3.04Å; S1306-S1309 PolarHBondContact O-OG 2.88Å | ||
| 1307 | Q | 26.7 | Very low | 40 | Very low | 87 Ų | 87 | 93.6 Ų | 93.6 | 41% | 0.407 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -19 | 176.4 | -74.8 | -168.6 | -104.2 | 0 | 0 | 113.8 | C1305 S1309 S1310 | C1305-Q1307 PolarHBondContact O-N 2.88Å; C1305-Q1307 VanDerWaalsContact O-N 3.08Å; Q1307-S1309 PolarHBondContact O-N 2.86Å; Q1307-S1310 WeakPolarHBondContact O-CB 3.39Å; Q1307-S1310 PolarHBondContact O-N 2.79Å; Q1307-S1310 PolarHBondContact O-OG 3.41Å |
| 1308 | D | 26.3 | Very low | 43.3 | Very low | 125 Ų | 125 | 89 Ų | 89 | 67% | 0.668 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -49.7 | -30.9 | 173.3 | -54.8 | -20.6 | 0 | 0 | 0 | 113 | S1306 S1310 V1311 S1312 | S1306-D1308 PolarHBondContact O-N 3.09Å; D1308-S1310 PolarHBondContact O-N 3.3Å; D1308-S1310 VanDerWaalsContact O-N 3.16Å; D1308-V1311 PolarHBondContact O-N 3.08Å; D1308-V1311 VanDerWaalsContact O-N 3.14Å; D1308-S1312 PolarHBondContact O-N 3.02Å |
| 1309 | S | 33.9 | Very low | 46.4 | Very low | 70 Ų | 70 | 84 Ų | 84 | 49% | 0.49 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.9 | -22.5 | 175.4 | 58.6 | 0 | 0 | 0 | 0 | 114.5 | S1306 Q1307 N1313 | S1306-S1309 PolarHBondContact O-N 3.04Å; S1306-S1309 PolarHBondContact O-OG 2.88Å; Q1307-S1309 PolarHBondContact O-N 2.86Å; S1309-N1313 PolarHBondContact O-ND2 3.24Å |
| 1310 | S | 40 | Very low | 49.9 | Very low | 67 Ų | 67 | 78.1 Ų | 78.1 | 47% | 0.469 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -80.2 | -33.2 | 176.4 | 65.5 | 0 | 0 | 0 | 0 | 113 | Q1307 D1308 Y1314 | Q1307-S1310 WeakPolarHBondContact O-CB 3.39Å; Q1307-S1310 PolarHBondContact O-N 2.79Å; Q1307-S1310 PolarHBondContact O-OG 3.41Å; D1308-S1310 PolarHBondContact O-N 3.3Å; D1308-S1310 VanDerWaalsContact O-N 3.16Å; S1310-Y1314 WeakPolarHBondContact O-CD2 2.98Å; S1310-Y1314 WeakPolarHBondContact O-CE2 3.49Å |
| 1311 | V | 44.2 | Very low | 53.2 | Low | 29 Ų | 29 | 72.3 Ų | 72.3 | 18% | 0.176 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -81.3 | -31 | 176.4 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | D1308 Y1314 Q1456 | D1308-V1311 PolarHBondContact O-N 3.08Å; D1308-V1311 VanDerWaalsContact O-N 3.14Å; V1311-Y1314 WeakPolarHBondContact O-CD2 3.44Å; V1311-Q1456 HydrophobicContact CG1-CG 4.04Å |
| 1312 | S | 48.8 | Very low | 56.5 | Low | 42 Ų | 42 | 64.2 Ų | 64.2 | 29% | 0.294 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.5 | -57.6 | -174.7 | 89.2 | 0 | 0 | 0 | 0 | 112.3 | E1232 D1308 Y1314 S1315 | E1232-S1312 VanDerWaalsContact CD-C 3.48Å; E1232-S1312 WeakPolarHBondContact OE2-CB 3.39Å; E1232-S1312 PolarHBondContact OE2-OG 2.93Å; D1308-S1312 PolarHBondContact O-N 3.02Å; S1312-Y1314 PolarHBondContact O-N 2.88Å; S1312-S1315 VanDerWaalsContact O-CB 3.24Å; S1312-S1315 WeakPolarHBondContact O-CB 3.44Å; S1312-S1315 PolarHBondContact O-N 3.29Å; S1312-S1315 PolarHBondContact O-OG 3.05Å |
| 1313 | N | 57.9 | Low | 59.8 | Low | 57 Ų | 57 | 57.4 Ų | 57.4 | 31% | 0.305 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -24.5 | -167.8 | -73.6 | -69.2 | 0 | 0 | 0 | 115.8 | E1232 S1309 S1315 T1317 | E1232-N1313 VanDerWaalsContact OE1-CA 3.31Å; E1232-N1313 WeakPolarHBondContact OE1-CA 2.98Å; E1232-N1313 VanDerWaalsContact OE2-CA 3.28Å; E1232-N1313 WeakPolarHBondContact OE2-CA 3.45Å; E1232-N1313 PolarHBondContact OE2-N 3.22Å; S1309-N1313 PolarHBondContact O-ND2 3.24Å; N1313-S1315 VanDerWaalsContact C-N 3.3Å; N1313-T1317 PolarHBondContact O-OG1 2.98Å; N1313-T1317 VanDerWaalsContact O-OG1 3.12Å |
| 1314 | Y | 70.9 | Confident | 63.1 | Low | 68 Ų | 68 | 48.6 Ų | 48.6 | 27% | 0.267 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.3 | -30.3 | 176.1 | -66.5 | -54.9 | 0 | 0 | 0 | 113 | S1310 V1311 S1312 T1317 L1318 Y1460 | S1310-Y1314 WeakPolarHBondContact O-CD2 2.98Å; S1310-Y1314 WeakPolarHBondContact O-CE2 3.49Å; V1311-Y1314 WeakPolarHBondContact O-CD2 3.44Å; S1312-Y1314 PolarHBondContact O-N 2.88Å; Y1314-T1317 WeakPolarHBondContact O-CB 3.27Å; Y1314-T1317 PolarHBondContact O-N 3.49Å; Y1314-L1318 PolarHBondContact O-N 2.94Å; Y1314-Y1460 AromaticContact CD1-CE1 3.81Å; Y1314-Y1460 HydrophobicContact CD1-CE1 3.81Å; Y1314-Y1460 AromaticContact CD1-CZ 3.89Å; Y1314-Y1460 HydrophobicContact CD2-CD1 4.43Å; Y1314-Y1460 HydrophobicContact CD2-CE1 4.35Å; Y1314-Y1460 HydrophobicContact CG-CD1 4.15Å; Y1314-Y1460 AromaticContact CG-CE1 3.72Å; Y1314-Y1460 HydrophobicContact CG-CE1 3.72Å; Y1314-Y1460 HydrophobicContact CG-CE2 4.42Å; Y1314-Y1460 AromaticContact CG-CZ 3.88Å |
| 1315 | S | 81.4 | Confident | 66.5 | Low | 39 Ų | 39 | 41.2 Ų | 41.2 | 27% | 0.273 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.5 | -49 | -175.7 | -47.7 | 0 | 0 | 0 | 0 | 112 | S1312 N1313 T1317 L1318 D1319 | S1312-S1315 VanDerWaalsContact O-CB 3.24Å; S1312-S1315 WeakPolarHBondContact O-CB 3.44Å; S1312-S1315 PolarHBondContact O-N 3.29Å; S1312-S1315 PolarHBondContact O-OG 3.05Å; N1313-S1315 VanDerWaalsContact C-N 3.3Å; S1315-T1317 VanDerWaalsContact C-N 3.26Å; S1315-T1317 PolarHBondContact O-N 2.72Å; S1315-L1318 WeakPolarHBondContact O-CB 3.16Å; S1315-L1318 PolarHBondContact O-N 2.94Å; S1315-D1319 PolarHBondContact O-N 3.34Å |
| 1316 | C | 86.5 | Confident | 69.8 | Low | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66 | -30.2 | 175.6 | -180 | 0 | 0 | 0 | 0 | 112.4 | E1232 Y1235 R1236 L1320 | E1232-C1316 HydrophobicContact CG-CB 3.48Å; E1232-C1316 VanDerWaalsContact CG-CB 3.48Å; E1232-C1316 WeakPolarHBondContact OE1-CB 3.35Å; E1232-C1316 PolarHBondContact OE1-N 3Å; Y1235-C1316 WeakPolarHBondContact CB-SG 3.39Å; R1236-C1316 HydrophobicContact CG-CB 4.17Å; C1316-L1320 WeakPolarHBondContact O-CB 3.03Å; C1316-L1320 PolarHBondContact O-N 2.8Å |
| 1317 | T | 87.7 | Confident | 73 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.2 | -41.5 | 175.5 | -57 | 0 | 0 | 0 | 0 | 110.6 | Q1272 F1273 N1313 Y1314 S1315 L1321 | Q1272-T1317 HydrophobicContact CB-CG2 3.97Å; F1273-T1317 HydrophobicContact CD1-CG2 4.35Å; F1273-T1317 HydrophobicContact CE1-CG2 3.94Å; F1273-T1317 HydrophobicContact CZ-CG2 4.08Å; N1313-T1317 PolarHBondContact O-OG1 2.98Å; N1313-T1317 VanDerWaalsContact O-OG1 3.12Å; Y1314-T1317 WeakPolarHBondContact O-CB 3.27Å; Y1314-T1317 PolarHBondContact O-N 3.49Å; S1315-T1317 VanDerWaalsContact C-N 3.26Å; S1315-T1317 PolarHBondContact O-N 2.72Å; T1317-L1321 PolarHBondContact O-N 3Å; T1317-L1321 VanDerWaalsContact O-N 3.08Å |
| 1318 | L | 89.6 | Confident | 76.1 | Confident | 12 Ų | 12 | 30.2 Ų | 30.2 | 6% | 0.063 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.2 | -48.1 | 174.3 | -178.4 | 68 | 0 | 0 | 0 | 112.6 | Y1314 S1315 L1320 L1321 N1322 Y1460 Q1463 | Y1314-L1318 PolarHBondContact O-N 2.94Å; S1315-L1318 WeakPolarHBondContact O-CB 3.16Å; S1315-L1318 PolarHBondContact O-N 2.94Å; L1318-L1320 VanDerWaalsContact C-N 3.26Å; L1318-L1320 PolarHBondContact O-N 3.48Å; L1318-L1321 PolarHBondContact O-N 3.49Å; L1318-N1322 PolarHBondContact O-N 3.39Å; L1318-N1322 PolarHBondContact O-ND2 2.85Å; L1318-Y1460 HydrophobicContact CB-CE2 4.39Å; L1318-Q1463 HydrophobicContact CD1-CB 4.43Å; L1318-Q1463 HydrophobicContact CD2-CB 3.7Å |
| 1319 | D | 91.8 | Very high | 79 | Confident | 18 Ų | 18 | 25.9 Ų | 25.9 | 10% | 0.096 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.7 | -38.5 | 177.3 | -66.5 | -38.9 | 0 | 0 | 0 | 111.8 | R1236 C1239 S1315 N1322 C1323 | R1236-D1319 VanDerWaalsContact CG-OD2 3.31Å; R1236-D1319 WeakPolarHBondContact CG-OD2 3.35Å; R1236-D1319 IonicContact CZ-OD2 2.69Å; R1236-D1319 IonicContact NE-OD2 3.6Å; R1236-D1319 PolarHBondContact NE-OD2 3.16Å; R1236-D1319 IonicContact NH2-OD1 3.83Å; R1236-D1319 PolarHBondContact NH2-OD1 3.42Å; R1236-D1319 VanDerWaalsContact NH2-OD1 3.08Å; R1236-D1319 IonicContact NH2-OD2 3.44Å; R1236-D1319 PolarHBondContact NH2-OD2 2.97Å; C1239-D1319 HydrophobicContact CB-CB 3.82Å; S1315-D1319 PolarHBondContact O-N 3.34Å; D1319-N1322 PolarHBondContact O-N 3.28Å; D1319-C1323 PolarHBondContact O-N 3.43Å; D1319-C1323 PolarHBondContact O-SG 3.05Å |
| 1320 | L | 93.5 | Very high | 81.5 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.1 | -36.8 | 177.7 | -177 | 64.7 | 0 | 0 | 0 | 112.2 | I1216 L1265 C1268 L1269 C1316 L1318 C1323 L1324 | I1216-L1320 HydrophobicContact CG2-CD1 3.74Å; L1265-L1320 HydrophobicContact CB-CD1 4.21Å; L1265-L1320 HydrophobicContact CD2-CD1 3.82Å; C1268-L1320 HydrophobicContact CB-CD2 3.58Å; L1269-L1320 HydrophobicContact CD1-CG 4.4Å; L1269-L1320 HydrophobicContact CD2-CB 4.03Å; L1269-L1320 HydrophobicContact CD2-CD2 3.82Å; L1269-L1320 HydrophobicContact CD2-CG 3.79Å; L1269-L1320 HydrophobicContact CG-CD2 3.73Å; L1269-L1320 HydrophobicContact CG-CG 3.77Å; C1316-L1320 WeakPolarHBondContact O-CB 3.03Å; C1316-L1320 PolarHBondContact O-N 2.8Å; L1318-L1320 VanDerWaalsContact C-N 3.26Å; L1318-L1320 PolarHBondContact O-N 3.48Å; L1320-C1323 WeakPolarHBondContact O-CB 3.39Å; L1320-C1323 PolarHBondContact O-N 3.1Å; L1320-L1324 PolarHBondContact O-N 3.22Å |
| 1321 | L | 94 | Very high | 83.8 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.1 | -45.8 | 173.5 | -175.2 | 60.8 | 0 | 0 | 0 | 110.1 | L1269 F1273 T1317 L1318 C1323 L1324 T1325 I1425 S1467 F1471 | L1269-L1321 HydrophobicContact CD1-CD1 4.16Å; L1269-L1321 HydrophobicContact CD2-CB 4.08Å; F1273-L1321 HydrophobicContact CZ-CD2 4.37Å; T1317-L1321 PolarHBondContact O-N 3Å; T1317-L1321 VanDerWaalsContact O-N 3.08Å; L1318-L1321 PolarHBondContact O-N 3.49Å; L1321-C1323 VanDerWaalsContact C-N 3.32Å; L1321-C1323 PolarHBondContact O-N 3.48Å; L1321-L1324 PolarHBondContact O-N 3.06Å; L1321-L1324 VanDerWaalsContact O-N 3.11Å; L1321-T1325 PolarHBondContact O-N 3.46Å; L1321-T1325 PolarHBondContact O-OG1 3.06Å; L1321-I1425 HydrophobicContact CD1-CD1 4.08Å; L1321-S1467 WeakPolarHBondContact CD2-OG 3.3Å; L1321-F1471 HydrophobicContact CD1-CB 3.88Å; L1321-F1471 HydrophobicContact CD1-CD1 4.25Å; L1321-F1471 HydrophobicContact CD1-CD2 3.88Å; L1321-F1471 HydrophobicContact CD1-CG 3.71Å; L1321-F1471 HydrophobicContact CG-CB 4.29Å |
| 1322 | N | 93.5 | Very high | 85.6 | Confident | 43 Ų | 43 | 21.8 Ų | 21.8 | 23% | 0.23 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.2 | -38.7 | 174.3 | -71.4 | -27.1 | 0 | 0 | 0 | 112.5 | L1318 D1319 L1324 T1325 N1326 S1467 | L1318-N1322 PolarHBondContact O-N 3.39Å; L1318-N1322 PolarHBondContact O-ND2 2.85Å; D1319-N1322 PolarHBondContact O-N 3.28Å; N1322-L1324 PolarHBondContact O-N 3.33Å; N1322-T1325 PolarHBondContact O-N 3.35Å; N1322-N1326 WeakPolarHBondContact O-CB 2.93Å; N1322-N1326 PolarHBondContact O-N 3.37Å; N1322-N1326 PolarHBondContact O-ND2 3.07Å; N1322-S1467 WeakPolarHBondContact OD1-CB 3.2Å; N1322-S1467 PolarHBondContact OD1-OG 3.14Å |
| 1323 | C | 94.5 | Very high | 87.1 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.014 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 173.1 | -70.6 | 0 | 0 | 0 | 0 | 112.2 | C1239 L1242 D1319 L1320 L1321 L1327 | C1239-C1323 PolarHBondContact O-SG 3.49Å; L1242-C1323 HydrophobicContact CD2-CB 4.36Å; D1319-C1323 PolarHBondContact O-N 3.43Å; D1319-C1323 PolarHBondContact O-SG 3.05Å; L1320-C1323 WeakPolarHBondContact O-CB 3.39Å; L1320-C1323 PolarHBondContact O-N 3.1Å; L1321-C1323 VanDerWaalsContact C-N 3.32Å; L1321-C1323 PolarHBondContact O-N 3.48Å; C1323-L1327 WeakPolarHBondContact O-CG 3.25Å; C1323-L1327 PolarHBondContact O-N 3.39Å; C1323-L1327 VanDerWaalsContact O-N 3.17Å |
| 1324 | L | 95.1 | Very high | 88 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.9 | -42.7 | 178.3 | -176.5 | 59.6 | 0 | 0 | 0 | 111.7 | V1262 V1266 L1269 L1320 L1321 N1322 N1326 L1327 L1328 L1421 F1471 | V1262-L1324 HydrophobicContact CG1-CD1 3.45Å; V1262-L1324 VanDerWaalsContact CG1-CD1 3.45Å; V1266-L1324 HydrophobicContact CG2-CD1 4.31Å; V1266-L1324 HydrophobicContact CG2-CD2 3.94Å; L1269-L1324 HydrophobicContact CD1-CB 4.16Å; L1269-L1324 HydrophobicContact CD1-CD2 3.62Å; L1320-L1324 PolarHBondContact O-N 3.22Å; L1321-L1324 PolarHBondContact O-N 3.06Å; L1321-L1324 VanDerWaalsContact O-N 3.11Å; N1322-L1324 PolarHBondContact O-N 3.33Å; L1324-N1326 PolarHBondContact O-N 3.02Å; L1324-L1327 PolarHBondContact O-N 3.04Å; L1324-L1328 WeakPolarHBondContact O-CG 3.31Å; L1324-L1328 PolarHBondContact O-N 2.98Å; L1324-L1421 HydrophobicContact CD2-CD1 4.34Å; L1324-F1471 HydrophobicContact CD2-CD2 4.31Å; L1324-F1471 HydrophobicContact CD2-CE2 3.54Å; L1324-F1471 HydrophobicContact CD2-CZ 4.25Å; L1324-F1471 HydrophobicContact CG-CD2 4.36Å; L1324-F1471 HydrophobicContact CG-CE2 3.87Å |
| 1325 | T | 93.9 | Very high | 88.1 | Confident | 8 Ų | 8 | 21.5 Ų | 21.5 | 5% | 0.049 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.5 | -44.1 | 176 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | L1321 N1322 L1328 N1329 A1470 F1471 S1474 | L1321-T1325 PolarHBondContact O-N 3.46Å; L1321-T1325 PolarHBondContact O-OG1 3.06Å; N1322-T1325 PolarHBondContact O-N 3.35Å; T1325-L1328 PolarHBondContact O-N 3.12Å; T1325-N1329 PolarHBondContact O-N 3.38Å; T1325-N1329 PolarHBondContact O-ND2 3.31Å; T1325-A1470 HydrophobicContact CG2-CB 4.14Å; T1325-F1471 VanDerWaalsContact OG1-CA 3.31Å; T1325-F1471 WeakPolarHBondContact OG1-CA 3.27Å; T1325-F1471 VanDerWaalsContact OG1-CB 3.32Å; T1325-F1471 WeakPolarHBondContact OG1-CB 3.47Å; T1325-S1474 WeakPolarHBondContact CG2-OG 3.49Å |
| 1326 | N | 90.9 | Very high | 87.4 | Confident | 47 Ų | 47 | 22.2 Ų | 22.2 | 25% | 0.251 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -65.9 | -39.3 | 176.9 | -78.7 | -72.6 | 0 | 0 | 0 | 112.2 | Q1243 N1322 L1324 N1329 G1330 | Q1243-N1326 PolarHBondContact NE2-ND2 2.96Å; N1322-N1326 WeakPolarHBondContact O-CB 2.93Å; N1322-N1326 PolarHBondContact O-N 3.37Å; N1322-N1326 PolarHBondContact O-ND2 3.07Å; L1324-N1326 PolarHBondContact O-N 3.02Å; N1326-N1329 PolarHBondContact O-N 3.1Å; N1326-G1330 PolarHBondContact O-N 2.85Å |
| 1327 | L | 92.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 174.2 | -76.5 | 164.8 | 0 | 0 | 0 | 112.3 | C1246 M1256 L1265 C1323 L1324 N1329 G1330 F1331 | C1246-L1327 HydrophobicContact CB-CD2 3.85Å; C1246-L1327 HydrophobicContact CB-CG 4.48Å; M1256-L1327 HydrophobicContact CB-CD2 3.88Å; M1256-L1327 HydrophobicContact CE-CD1 3.83Å; M1256-L1327 HydrophobicContact CG-CD1 4.42Å; M1256-L1327 HydrophobicContact CG-CD2 3.85Å; L1265-L1327 HydrophobicContact CD1-CD1 3.63Å; C1323-L1327 WeakPolarHBondContact O-CG 3.25Å; C1323-L1327 PolarHBondContact O-N 3.39Å; C1323-L1327 VanDerWaalsContact O-N 3.17Å; L1324-L1327 PolarHBondContact O-N 3.04Å; L1327-N1329 VanDerWaalsContact C-N 3.34Å; L1327-N1329 PolarHBondContact O-N 3.29Å; L1327-G1330 PolarHBondContact O-N 2.92Å; L1327-G1330 VanDerWaalsContact O-N 3.17Å; L1327-F1331 HydrophobicContact CB-CE2 4.21Å; L1327-F1331 HydrophobicContact CB-CZ 3.96Å; L1327-F1331 HydrophobicContact CD2-CE1 4.37Å; L1327-F1331 HydrophobicContact CD2-CZ 4.18Å; L1327-F1331 WeakPolarHBondContact O-CD1 3.32Å; L1327-F1331 WeakPolarHBondContact O-CD2 2.89Å; L1327-F1331 WeakPolarHBondContact O-CG 2.96Å; L1327-F1331 PolarHBondContact O-N 2.91Å |
| 1328 | L | 91.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.1 | -40.9 | 175.9 | -66.8 | 176.9 | 0 | 0 | 0 | 112 | L1324 T1325 F1331 Y1332 I1416 F1471 L1475 L1478 | L1324-L1328 WeakPolarHBondContact O-CG 3.31Å; L1324-L1328 PolarHBondContact O-N 2.98Å; T1325-L1328 PolarHBondContact O-N 3.12Å; L1328-F1331 HydrophobicContact CD2-CD2 4.22Å; L1328-F1331 HydrophobicContact CD2-CE2 4.46Å; L1328-F1331 PolarHBondContact O-N 3.29Å; L1328-Y1332 PolarHBondContact O-N 3.31Å; L1328-I1416 HydrophobicContact CD2-CD1 4.11Å; L1328-F1471 HydrophobicContact CD1-CD2 3.99Å; L1328-F1471 HydrophobicContact CD1-CE2 3.6Å; L1328-F1471 HydrophobicContact CD1-CZ 4.47Å; L1328-L1475 HydrophobicContact CD1-CB 4.28Å; L1328-L1475 HydrophobicContact CD1-CD1 4Å; L1328-L1478 HydrophobicContact CB-CD2 4.42Å; L1328-L1478 HydrophobicContact CD2-CD2 3.68Å |
| 1329 | N | 87.4 | Confident | 82.2 | Confident | 35 Ų | 35 | 30.2 Ų | 30.2 | 19% | 0.187 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.4 | -33.4 | 174.3 | -73.4 | -48.6 | 0 | 0 | 0 | 113.1 | T1325 N1326 L1327 Y1332 K1333 S1474 R1477 | T1325-N1329 PolarHBondContact O-N 3.38Å; T1325-N1329 PolarHBondContact O-ND2 3.31Å; N1326-N1329 PolarHBondContact O-N 3.1Å; L1327-N1329 VanDerWaalsContact C-N 3.34Å; L1327-N1329 PolarHBondContact O-N 3.29Å; N1329-Y1332 PolarHBondContact O-N 2.94Å; N1329-K1333 WeakPolarHBondContact O-CG 3.1Å; N1329-K1333 PolarHBondContact O-N 3.3Å; N1329-S1474 VanDerWaalsContact CG-OG 3.31Å; N1329-S1474 PolarHBondContact ND2-OG 2.87Å; N1329-S1474 WeakPolarHBondContact OD1-CB 3.04Å; N1329-S1474 PolarHBondContact OD1-OG 3.3Å; N1329-S1474 VanDerWaalsContact OD1-OG 3.12Å; N1329-R1477 PolarHBondContact OD1-NH2 3.45Å |
| 1330 | G | 85.5 | Confident | 79.7 | Confident | 19 Ų | 19 | 32.9 Ų | 32.9 | 20% | 0.196 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112 | N1326 L1327 L1334 | N1326-G1330 PolarHBondContact O-N 2.85Å; L1327-G1330 PolarHBondContact O-N 2.92Å; L1327-G1330 VanDerWaalsContact O-N 3.17Å; G1330-L1334 WeakPolarHBondContact O-CB 3.48Å; G1330-L1334 PolarHBondContact O-N 3.45Å; G1330-L1334 VanDerWaalsContact O-N 3.11Å |
| 1331 | F | 88.6 | Confident | 76.7 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.4 | -37.2 | 174.5 | -51.2 | -27 | 0 | 0 | 0 | 112 | S1253 L1257 V1262 L1327 L1328 N1335 L1409 L1412 L1478 | S1253-F1331 WeakPolarHBondContact O-CE1 3.48Å; L1257-F1331 HydrophobicContact CB-CE1 3.9Å; L1257-F1331 HydrophobicContact CB-CZ 3.94Å; L1257-F1331 HydrophobicContact CD1-CE2 4.37Å; L1257-F1331 HydrophobicContact CD1-CZ 4.49Å; L1257-F1331 HydrophobicContact CD2-CD1 4.49Å; V1262-F1331 HydrophobicContact CG2-CE2 4.22Å; V1262-F1331 HydrophobicContact CG2-CZ 3.87Å; L1327-F1331 HydrophobicContact CB-CE2 4.21Å; L1327-F1331 HydrophobicContact CB-CZ 3.96Å; L1327-F1331 HydrophobicContact CD2-CE1 4.37Å; L1327-F1331 HydrophobicContact CD2-CZ 4.18Å; L1327-F1331 WeakPolarHBondContact O-CD1 3.32Å; L1327-F1331 WeakPolarHBondContact O-CD2 2.89Å; L1327-F1331 WeakPolarHBondContact O-CG 2.96Å; L1327-F1331 PolarHBondContact O-N 2.91Å; L1328-F1331 HydrophobicContact CD2-CD2 4.22Å; L1328-F1331 HydrophobicContact CD2-CE2 4.46Å; L1328-F1331 PolarHBondContact O-N 3.29Å; F1331-N1335 PolarHBondContact O-N 3.41Å; F1331-N1335 VanDerWaalsContact O-N 3.1Å; F1331-N1335 PolarHBondContact O-ND2 2.9Å; F1331-L1409 HydrophobicContact CB-CD1 4.07Å; F1331-L1409 HydrophobicContact CD2-CD1 4.29Å; F1331-L1409 HydrophobicContact CG-CD1 4.37Å; F1331-L1412 HydrophobicContact CD2-CD2 4.24Å; F1331-L1412 HydrophobicContact CE2-CD2 3.76Å; F1331-L1478 HydrophobicContact CB-CD1 3.9Å; F1331-L1478 HydrophobicContact CB-CD2 4.01Å; F1331-L1478 HydrophobicContact CD2-CD2 4.18Å |
| 1332 | Y | 83.3 | Confident | 73.6 | Confident | 60 Ų | 60 | 41.4 Ų | 41.4 | 24% | 0.235 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.7 | -57.1 | 175.4 | 177.1 | -93.3 | 0 | 0 | 0 | 110.8 | L1328 N1329 L1334 N1335 Y1336 R1477 I1481 | L1328-Y1332 PolarHBondContact O-N 3.31Å; N1329-Y1332 PolarHBondContact O-N 2.94Å; Y1332-L1334 VanDerWaalsContact C-N 3.33Å; Y1332-L1334 PolarHBondContact O-N 3.02Å; Y1332-N1335 PolarHBondContact O-N 3.07Å; Y1332-Y1336 HydrophobicContact CE1-CD2 4.37Å; Y1332-Y1336 HydrophobicContact CE1-CG 4.43Å; Y1332-Y1336 VanDerWaalsContact O-CB 3.3Å; Y1332-Y1336 WeakPolarHBondContact O-CB 3.46Å; Y1332-Y1336 PolarHBondContact O-N 3.37Å; Y1332-R1477 HydrophobicContact CD2-CB 3.72Å; Y1332-R1477 HydrophobicContact CE2-CB 3.68Å; Y1332-I1481 HydrophobicContact CD2-CD1 3.43Å; Y1332-I1481 VanDerWaalsContact CD2-CD1 3.43Å; Y1332-I1481 HydrophobicContact CD2-CG1 4.17Å; Y1332-I1481 HydrophobicContact CE2-CD1 3.52Å; Y1332-I1481 HydrophobicContact CE2-CG1 3.95Å; Y1332-I1481 HydrophobicContact CG-CD1 4.22Å |
| 1333 | K | 80.3 | Confident | 70.6 | Confident | 124 Ų | 124 | 44.7 Ų | 44.7 | 54% | 0.539 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -54.2 | -47.2 | 179.6 | -73.4 | -175.8 | 175.7 | -168.7 | 0 | 112.3 | N1329 N1335 Y1336 Y1337 | N1329-K1333 WeakPolarHBondContact O-CG 3.1Å; N1329-K1333 PolarHBondContact O-N 3.3Å; K1333-N1335 PolarHBondContact O-N 3.15Å; K1333-Y1336 PolarHBondContact O-N 3.16Å; K1333-Y1337 HydrophobicContact CB-CD2 4.48Å; K1333-Y1337 HydrophobicContact CB-CE2 4.17Å; K1333-Y1337 WeakPolarHBondContact O-CD2 3.49Å; K1333-Y1337 PolarHBondContact O-N 2.88Å |
| 1334 | L | 75.6 | Confident | 67.4 | Low | 15 Ų | 15 | 48.7 Ų | 48.7 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.5 | -36.1 | -178.5 | 177.1 | 57.7 | 0 | 0 | 0 | 113.1 | I1250 I1254 G1330 Y1332 S1338 I1404 | I1250-L1334 HydrophobicContact CG2-CB 4.46Å; I1250-L1334 HydrophobicContact CG2-CD1 4.1Å; I1250-L1334 HydrophobicContact CG2-CD2 3.92Å; I1250-L1334 HydrophobicContact CG2-CG 4.4Å; I1254-L1334 HydrophobicContact CD1-CD2 3.59Å; I1254-L1334 HydrophobicContact CG1-CD2 3.34Å; G1330-L1334 WeakPolarHBondContact O-CB 3.48Å; G1330-L1334 PolarHBondContact O-N 3.45Å; G1330-L1334 VanDerWaalsContact O-N 3.11Å; Y1332-L1334 VanDerWaalsContact C-N 3.33Å; Y1332-L1334 PolarHBondContact O-N 3.02Å; L1334-S1338 VanDerWaalsContact O-CB 3.26Å; L1334-S1338 WeakPolarHBondContact O-CB 3.33Å; L1334-S1338 PolarHBondContact O-N 2.95Å; L1334-S1338 PolarHBondContact O-OG 3.44Å; L1334-I1404 HydrophobicContact CD2-CD1 3.5Å; L1334-I1404 VanDerWaalsContact CD2-CD1 3.5Å; L1334-I1404 HydrophobicContact CD2-CG1 4.09Å; L1334-I1404 HydrophobicContact CG-CD1 4.14Å |
| 1335 | N | 72.5 | Confident | 64 | Low | 21 Ų | 21 | 53.3 Ų | 53.3 | 11% | 0.112 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -74.5 | -40.7 | 173.5 | -75.8 | -85.5 | 0 | 0 | 0 | 111.6 | F1331 Y1332 K1333 S1338 T1339 I1481 | F1331-N1335 PolarHBondContact O-N 3.41Å; F1331-N1335 VanDerWaalsContact O-N 3.1Å; F1331-N1335 PolarHBondContact O-ND2 2.9Å; Y1332-N1335 PolarHBondContact O-N 3.07Å; K1333-N1335 PolarHBondContact O-N 3.15Å; N1335-S1338 CarbonylContact O-C 3.54Å; N1335-S1338 WeakPolarHBondContact O-CA 3.47Å; N1335-S1338 WeakPolarHBondContact O-CB 3.44Å; N1335-S1338 PolarHBondContact O-N 3.23Å; N1335-S1338 VanDerWaalsContact O-N 3.08Å; N1335-T1339 PolarHBondContact O-N 3.06Å; N1335-T1339 PolarHBondContact O-OG1 3.46Å; N1335-I1481 HydrophobicContact CB-CD1 4.06Å; N1335-I1481 HydrophobicContact CB-CG2 4.03Å |
| 1336 | Y | 66.6 | Low | 60.6 | Low | 54 Ų | 54 | 59.7 Ų | 59.7 | 21% | 0.212 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.1 | -55.4 | -180 | 179.1 | -90.3 | 0 | 0 | 0 | 112.3 | Y1332 K1333 S1338 T1339 E1340 E1986 | Y1332-Y1336 HydrophobicContact CE1-CD2 4.37Å; Y1332-Y1336 HydrophobicContact CE1-CG 4.43Å; Y1332-Y1336 VanDerWaalsContact O-CB 3.3Å; Y1332-Y1336 WeakPolarHBondContact O-CB 3.46Å; Y1332-Y1336 PolarHBondContact O-N 3.37Å; K1333-Y1336 PolarHBondContact O-N 3.16Å; Y1336-S1338 PolarHBondContact O-N 2.8Å; Y1336-T1339 WeakPolarHBondContact CA-OG1 3.39Å; Y1336-T1339 WeakPolarHBondContact O-CA 3.3Å; Y1336-T1339 PolarHBondContact O-N 3.38Å; Y1336-T1339 PolarHBondContact O-OG1 2.8Å; Y1336-E1340 HydrophobicContact CE1-CG 4.18Å; Y1336-E1340 WeakPolarHBondContact CE1-OE1 3.27Å; Y1336-E1340 WeakPolarHBondContact CE1-OE2 3.34Å; Y1336-E1340 PolarHBondContact O-N 2.89Å; Y1336-E1340 VanDerWaalsContact O-N 3.16Å; Y1336-E1986 PolarHBondContact OH-OE2 3.13Å |
| 1337 | Y | 54.6 | Low | 57.4 | Low | 113 Ų | 113 | 64.8 Ų | 64.8 | 44% | 0.443 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.4 | -33 | 174.1 | -62.6 | -52.9 | 0 | 0 | 0 | 111.9 | K1333 T1339 E1340 | K1333-Y1337 HydrophobicContact CB-CD2 4.48Å; K1333-Y1337 HydrophobicContact CB-CE2 4.17Å; K1333-Y1337 WeakPolarHBondContact O-CD2 3.49Å; K1333-Y1337 PolarHBondContact O-N 2.88Å; Y1337-T1339 PolarHBondContact O-N 3.38Å; Y1337-E1340 VanDerWaalsContact CD1-OE2 3.29Å; Y1337-E1340 WeakPolarHBondContact CD1-OE2 3.44Å |
| 1338 | S | 52.8 | Low | 54 | Low | 12 Ų | 12 | 72.2 Ų | 72.2 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -72.5 | -8.3 | 173.4 | -59.3 | 0 | 0 | 0 | 0 | 113.9 | L1334 N1335 Y1336 N1342 H1401 | L1334-S1338 VanDerWaalsContact O-CB 3.26Å; L1334-S1338 WeakPolarHBondContact O-CB 3.33Å; L1334-S1338 PolarHBondContact O-N 2.95Å; L1334-S1338 PolarHBondContact O-OG 3.44Å; N1335-S1338 CarbonylContact O-C 3.54Å; N1335-S1338 WeakPolarHBondContact O-CA 3.47Å; N1335-S1338 WeakPolarHBondContact O-CB 3.44Å; N1335-S1338 PolarHBondContact O-N 3.23Å; N1335-S1338 VanDerWaalsContact O-N 3.08Å; Y1336-S1338 PolarHBondContact O-N 2.8Å; S1338-N1342 PolarHBondContact O-ND2 3.3Å; S1338-N1342 PolarHBondContact O-OD1 2.87Å; S1338-H1401 PolarHBondContact OG-CE1 3.39Å; S1338-H1401 PolarHBondContact OG-ND1 2.88Å |
| 1339 | T | 47.8 | Very low | 50.8 | Low | 59 Ų | 59 | 78.9 Ų | 78.9 | 36% | 0.362 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -95.4 | -42.9 | 172.2 | 18 | 0 | 0 | 0 | 0 | 112.5 | N1335 Y1336 Y1337 F1341 N1342 | N1335-T1339 PolarHBondContact O-N 3.06Å; N1335-T1339 PolarHBondContact O-OG1 3.46Å; Y1336-T1339 WeakPolarHBondContact CA-OG1 3.39Å; Y1336-T1339 WeakPolarHBondContact O-CA 3.3Å; Y1336-T1339 PolarHBondContact O-N 3.38Å; Y1336-T1339 PolarHBondContact O-OG1 2.8Å; Y1337-T1339 PolarHBondContact O-N 3.38Å; T1339-F1341 PolarHBondContact O-N 2.93Å; T1339-N1342 WeakPolarHBondContact O-CB 3.39Å; T1339-N1342 PolarHBondContact O-N 3.03Å |
| 1340 | E | 38.6 | Very low | 47.7 | Very low | 75 Ų | 75 | 81.4 Ų | 81.4 | 35% | 0.35 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -54.5 | -52.3 | -179.6 | -67.2 | 174.7 | 115.5 | 0 | 0 | 111.5 | Y1336 Y1337 N1342 T1343 | Y1336-E1340 HydrophobicContact CE1-CG 4.18Å; Y1336-E1340 WeakPolarHBondContact CE1-OE1 3.27Å; Y1336-E1340 WeakPolarHBondContact CE1-OE2 3.34Å; Y1336-E1340 PolarHBondContact O-N 2.89Å; Y1336-E1340 VanDerWaalsContact O-N 3.16Å; Y1337-E1340 VanDerWaalsContact CD1-OE2 3.29Å; Y1337-E1340 WeakPolarHBondContact CD1-OE2 3.44Å; E1340-N1342 PolarHBondContact O-N 2.82Å; E1340-T1343 PolarHBondContact O-N 3.5Å; E1340-T1343 VanDerWaalsContact O-N 3.1Å; E1340-T1343 PolarHBondContact O-OG1 3.36Å |
| 1341 | F | 32.4 | Very low | 44.7 | Very low | 124 Ų | 124 | 85.5 Ų | 85.5 | 54% | 0.544 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -66.5 | -15.9 | 178.9 | -77.8 | -80.1 | 0 | 0 | 0 | 114.7 | T1339 T1343 T1344 T1345 | T1339-F1341 PolarHBondContact O-N 2.93Å; F1341-T1343 PolarHBondContact O-N 3.42Å; F1341-T1344 PolarHBondContact O-N 3.23Å; F1341-T1344 VanDerWaalsContact O-N 3.11Å; F1341-T1344 PolarHBondContact O-OG1 3.47Å; F1341-T1345 PolarHBondContact O-N 2.83Å; F1341-T1345 PolarHBondContact O-OG1 2.8Å |
| 1342 | N | 27.8 | Very low | 41.5 | Very low | 56 Ų | 56 | 90.6 Ų | 90.6 | 30% | 0.299 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -72.3 | -16.8 | 173.7 | -64.7 | -27.5 | 0 | 0 | 0 | 112.6 | S1338 T1339 E1340 T1344 R1403 | S1338-N1342 PolarHBondContact O-ND2 3.3Å; S1338-N1342 PolarHBondContact O-OD1 2.87Å; T1339-N1342 WeakPolarHBondContact O-CB 3.39Å; T1339-N1342 PolarHBondContact O-N 3.03Å; E1340-N1342 PolarHBondContact O-N 2.82Å; N1342-T1344 PolarHBondContact O-N 3.15Å; N1342-R1403 VanDerWaalsContact CG-NH2 3.29Å; N1342-R1403 PolarHBondContact OD1-NH2 3.46Å |
| 1343 | T | 30.1 | Very low | 38.4 | Very low | 112 Ų | 112 | 98.9 Ų | 98.9 | 69% | 0.687 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -77.5 | -6.2 | 171 | 67.9 | 0 | 0 | 0 | 0 | 112.9 | E1340 F1341 | E1340-T1343 PolarHBondContact O-N 3.5Å; E1340-T1343 VanDerWaalsContact O-N 3.1Å; E1340-T1343 PolarHBondContact O-OG1 3.36Å; F1341-T1343 PolarHBondContact O-N 3.42Å |
| 1344 | T | 27 | Very low | 35.6 | Very low | 86 Ų | 86 | 97.4 Ų | 97.4 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | -26 | -169.3 | 4.6 | 0 | 0 | 0 | 0 | 114.3 | F1341 N1342 | F1341-T1344 PolarHBondContact O-N 3.23Å; F1341-T1344 VanDerWaalsContact O-N 3.11Å; F1341-T1344 PolarHBondContact O-OG1 3.47Å; N1342-T1344 PolarHBondContact O-N 3.15Å |
| 1345 | T | 23.7 | Very low | 33 | Very low | 97 Ų | 97 | 102.2 Ų | 102.2 | 60% | 0.595 | 55% | 0.551 | S | S | * | * | trans | -135.2 | 86.5 | -178.1 | 56.8 | 0 | 0 | 0 | 0 | 113.7 | F1341 | F1341-T1345 PolarHBondContact O-N 2.83Å; F1341-T1345 PolarHBondContact O-OG1 2.8Å | ||
| 1346 | N | 22.3 | Very low | 30.6 | Very low | 143 Ų | 143 | 106.7 Ų | 106.7 | 77% | 0.765 | 58% | 0.583 | S | S | * | * | trans | -133.7 | 49.9 | 164.5 | -162 | 34.1 | 0 | 0 | 0 | 113 | ||||
| 1347 | N | 23.6 | Very low | 28.4 | Very low | 153 Ų | 153 | 109.3 Ų | 109.3 | 82% | 0.818 | 61% | 0.61 | S | S | * | * | trans | -160.5 | 86.3 | 159.6 | -108.1 | -28.6 | 0 | 0 | 0 | 112.7 | ||||
| 1348 | H | 23.1 | Very low | 26.8 | Very low | 157 Ų | 157 | 112.1 Ų | 112.1 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | -163.7 | 133 | 127.6 | -100.7 | -34.1 | 0 | 0 | 0 | 111.1 | |||||
| 1349 | N | 22.4 | Very low | 25.3 | Very low | 141 Ų | 141 | 117.2 Ų | 117.2 | 75% | 0.754 | 67% | 0.666 | S | S | * | * | trans | -146.7 | 168.7 | -177.4 | -164.2 | -7.7 | 0 | 0 | 0 | 108.3 | ||||
| 1350 | I | 23.5 | Very low | 24.3 | Very low | 87 Ų | 87 | 118.4 Ų | 118.4 | 45% | 0.446 | 69% | 0.691 | S | S | . | * | trans | 77 | 89.4 | 176.2 | -56.3 | 111.4 | 0 | 0 | 0 | 116.7 | W927 | W927-I1350 HydrophobicContact CH2-CD1 3.38Å; W927-I1350 HydrophobicContact CZ2-CD1 3.55Å; W927-I1350 HydrophobicContact CZ2-CG1 4.33Å | ||
| 1351 | S | 21.6 | Very low | 23.4 | Very low | 105 Ų | 105 | 118.2 Ų | 118.2 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | 63.6 | 128.8 | 106.4 | -152.5 | 0 | 0 | 0 | 0 | 121 | |||||
| 1352 | S | 21 | Very low | 23 | Very low | 108 Ų | 108 | 119.6 Ų | 119.6 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | trans | -57.8 | 136.4 | 163.5 | 54.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1353 | R | 19.6 | Very low | 22.7 | Very low | 234 Ų | 234 | 124.7 Ų | 124.7 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | trans | -145 | 102.5 | 152.5 | -159.4 | 78.8 | -175.8 | -156.3 | 1.5 | 112.3 | ||||
| 1354 | S | 21 | Very low | 22.3 | Very low | 94 Ų | 94 | 122.3 Ų | 122.3 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | trans | 60.4 | 140.8 | 148.6 | 61.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1355 | S | 20.8 | Very low | 22.1 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 68.4 | 109 | 136.8 | 61.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1356 | S | 21.5 | Very low | 21.9 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -118.5 | 110.5 | 144.5 | 55 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1357 | S | 21.1 | Very low | 22 | Very low | 110 Ų | 110 | 126.9 Ų | 126.9 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | 33.1 | 102.9 | 147.2 | -48.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1358 | I | 21.4 | Very low | 21.9 | Very low | 172 Ų | 172 | 125.8 Ų | 125.8 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | 15.3 | 116.8 | 114.6 | -55.7 | 162.6 | 0 | 0 | 0 | 116.2 | |||||
| 1359 | S | 21.8 | Very low | 21.9 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -169.9 | 157.1 | 135.4 | 50.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1360 | G | 25.6 | Very low | 21.9 | Very low | 85 Ų | 85 | 122.9 Ų | 122.9 | 88% | 0.876 | 77% | 0.769 | S | S | * | * | trans | 101.2 | 108.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1361 | G | 20.8 | Very low | 22 | Very low | 70 Ų | 70 | 124.2 Ų | 124.2 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | -120.4 | -145.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1362 | I | 22.5 | Very low | 22.1 | Very low | 154 Ų | 154 | 125.5 Ų | 125.5 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | 83.1 | 118.2 | 171.4 | -55.6 | 171.2 | 0 | 0 | 0 | 115.2 | ||||
| 1363 | N | 23.4 | Very low | 22.2 | Very low | 162 Ų | 162 | 126.6 Ų | 126.6 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | 63.8 | 151.1 | 168 | -56.3 | -17.4 | 0 | 0 | 0 | 116.9 | ||||
| 1364 | G | 20.5 | Very low | 22.4 | Very low | 62 Ų | 62 | 121.4 Ų | 121.4 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | cis | 158 | 164.5 | -3.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1365 | F | 23.9 | Very low | 22.6 | Very low | 202 Ų | 202 | 122.2 Ų | 122.2 | 89% | 0.886 | 79% | 0.794 | S | S | * | * | trans | 65 | 96.3 | 170.1 | -71.9 | -89.3 | 0 | 0 | 0 | 120.3 | ||||
| 1366 | T | 19.1 | Very low | 22.7 | Very low | 129 Ų | 129 | 122.4 Ų | 122.4 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | 21.1 | 109.6 | 121.5 | 58 | 0 | 0 | 0 | 0 | 121 | |||||
| 1367 | A | 25 | Very low | 22.9 | Very low | 91 Ų | 91 | 123 Ų | 123 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -174.4 | 116.4 | 135.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1368 | T | 20.1 | Very low | 23.1 | Very low | 131 Ų | 131 | 124.5 Ų | 124.5 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | 68.3 | 135.1 | 71.8 | -48.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 1369 | T | 23.9 | Very low | 23.3 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | trans | 85.2 | 104.5 | 166.4 | 6.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1370 | T | 22 | Very low | 23.3 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | 80.2 | 144.7 | 134.1 | 33.6 | 0 | 0 | 0 | 0 | 125 | ||||
| 1371 | T | 25.3 | Very low | 23.1 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | 74.7 | 95.5 | 150.3 | 41.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1372 | T | 24 | Very low | 23.2 | Very low | 132 Ų | 132 | 126 Ų | 126 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | 66.3 | 125 | 132.8 | 53.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1373 | P | 23.8 | Very low | 23.2 | Very low | 131 Ų | 131 | 124.6 Ų | 124.6 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | -88.5 | 158.2 | -179.4 | 36.8 | -36 | 0 | 0 | 0 | 113.7 | ||||
| 1374 | S | 23.3 | Very low | 23.2 | Very low | 125 Ų | 125 | 120.9 Ų | 120.9 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | -138.2 | 153.4 | 159.5 | 62.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 1375 | S | 25.2 | Very low | 23.3 | Very low | 111 Ų | 111 | 122.2 Ų | 122.2 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | -87.7 | 128.8 | -165.5 | 53.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1376 | S | 23.4 | Very low | 23.2 | Very low | 118 Ų | 118 | 116.9 Ų | 116.9 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | trans | -94.9 | 92.3 | 176.5 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1377 | T | 24.3 | Very low | 23.4 | Very low | 127 Ų | 127 | 119.7 Ų | 119.7 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | trans | -91.7 | 112.4 | 162.7 | 51.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1378 | T | 26.2 | Very low | 23.4 | Very low | 142 Ų | 142 | 121.3 Ų | 121.3 | 87% | 0.871 | 74% | 0.741 | S | S | * | * | trans | -72.3 | 126.4 | -178.2 | 47.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1379 | S | 24.4 | Very low | 23.4 | Very low | 93 Ų | 93 | 122.8 Ų | 122.8 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | trans | -74 | 146.8 | -167.5 | -55.5 | 0 | 0 | 0 | 0 | 116.1 | T1381 | S1379-T1381 PolarHBondContact O-N 3.45Š| ||
| 1380 | L | 22.1 | Very low | 23.4 | Very low | 183 Ų | 183 | 126.1 Ų | 126.1 | 96% | 0.958 | 75% | 0.748 | S | S | * | * | trans | -78.4 | 93 | 154.8 | -75.3 | 164.8 | 0 | 0 | 0 | 109 | ||||
| 1381 | T | 21.4 | Very low | 23.7 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 62% | 0.62 | 75% | 0.752 | S | S | * | * | trans | -134.8 | 103 | -179.1 | 33.5 | 0 | 0 | 0 | 0 | 111.8 | S1379 | S1379-T1381 PolarHBondContact O-N 3.45Š| ||
| 1382 | S | 22.4 | Very low | 23.8 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | trans | -158.3 | -8.4 | 169.8 | 63.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1383 | V | 24.1 | Very low | 23.9 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -77.1 | -27.8 | -168.5 | 178.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1384 | I | 22.3 | Very low | 24.1 | Very low | 83 Ų | 83 | 131.8 Ų | 131.8 | 43% | 0.426 | 76% | 0.757 | S | S | . | * | S | Bend | trans | -143.5 | 112.3 | 168.1 | -38.8 | 173.6 | 0 | 0 | 0 | 108.3 | F1120 T1125 | F1120-I1384 HydrophobicContact CE2-CD1 4.48Å; T1125-I1384 HydrophobicContact CG2-CB 3.95Å; T1125-I1384 HydrophobicContact CG2-CD1 4.21Å; T1125-I1384 HydrophobicContact CG2-CG2 3.51Å |
| 1385 | T | 24 | Very low | 24 | Very low | 91 Ų | 91 | 136.2 Ų | 136.2 | 56% | 0.558 | 76% | 0.756 | S | S | * | * | trans | -147.6 | 82.7 | 179.9 | -48.6 | 0 | 0 | 0 | 0 | 111.8 | K1387 | T1385-K1387 HydrophobicContact CG2-CB 4.25Å; T1385-K1387 PolarHBondContact O-N 2.87Å | ||
| 1386 | T | 21.7 | Very low | 24 | Very low | 89 Ų | 89 | 138.3 Ų | 138.3 | 55% | 0.546 | 75% | 0.753 | S | S | . | * | trans | -73.7 | 104.8 | 156.5 | 37.9 | 0 | 0 | 0 | 0 | 108.4 | P1126 | P1126-T1386 WeakPolarHBondContact CG-O 3.08Š| ||
| 1387 | K | 22.3 | Very low | 24.1 | Very low | 189 Ų | 189 | 141.3 Ų | 141.3 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -111.2 | 94.6 | 174.1 | -152.7 | -178.7 | -173.7 | -171.3 | 0 | 109.1 | T1385 L1389 | T1385-K1387 HydrophobicContact CG2-CB 4.25Å; T1385-K1387 PolarHBondContact O-N 2.87Å; K1387-L1389 PolarHBondContact O-N 3.06Å | ||
| 1388 | T | 24.7 | Very low | 24 | Very low | 125 Ų | 125 | 143.8 Ų | 143.8 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | trans | -64 | 121.8 | 174.9 | 48.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1389 | L | 21.7 | Very low | 24 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | trans | -126 | 139.4 | 153.2 | -157 | 74 | 0 | 0 | 0 | 106.1 | K1387 | K1387-L1389 PolarHBondContact O-N 3.06Š| ||
| 1390 | F | 22.9 | Very low | 24.1 | Very low | 187 Ų | 187 | 148.8 Ų | 148.8 | 82% | 0.82 | 76% | 0.76 | S | S | * | * | trans | -79.7 | 134.6 | 174.1 | -65.6 | -99.1 | 0 | 0 | 0 | 108.7 | ||||
| 1391 | D | 28.5 | Very low | 24.7 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 83% | 0.829 | 73% | 0.734 | S | S | * | * | trans | -167.3 | 161.4 | 142.1 | -84.2 | -31.9 | 0 | 0 | 0 | 106.2 | ||||
| 1392 | D | 26.8 | Very low | 26.1 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | trans | -81 | 159.4 | -156 | -56.1 | -72.8 | 0 | 0 | 0 | 117 | ||||
| 1393 | D | 25.7 | Very low | 27.5 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 85% | 0.845 | 72% | 0.724 | S | S | * | * | trans | 44.7 | 77.6 | 154.6 | -65.6 | -23.2 | 0 | 0 | 0 | 120.1 | ||||
| 1394 | D | 28.8 | Very low | 29.5 | Very low | 155 Ų | 155 | 141 Ų | 141 | 83% | 0.829 | 69% | 0.692 | S | S | * | * | trans | -158.3 | 124.6 | 136.5 | -128.2 | -27.5 | 0 | 0 | 0 | 112.5 | ||||
| 1395 | Y | 20.5 | Very low | 31.8 | Very low | 218 Ų | 218 | 140.8 Ų | 140.8 | 86% | 0.855 | 69% | 0.691 | S | S | * | * | trans | -117.7 | 56.8 | -165.9 | -150.5 | -87.6 | 0 | 0 | 0 | 113.5 | ||||
| 1396 | H | 25.8 | Very low | 34.2 | Very low | 155 Ų | 155 | 138 Ų | 138 | 72% | 0.718 | 68% | 0.675 | S | S | * | * | trans | -123.9 | 125.1 | 178.9 | -90.5 | -85.2 | 0 | 0 | 0 | 115.2 | ||||
| 1397 | E | 25.1 | Very low | 37.1 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 84% | 0.841 | 66% | 0.659 | S | S | * | * | trans | 32.8 | 90.6 | 154.5 | -62.1 | -175.3 | 105.4 | 0 | 0 | 120 | ||||
| 1398 | Q | 22.1 | Very low | 40.1 | Very low | 180 Ų | 180 | 128.9 Ų | 128.9 | 84% | 0.841 | 63% | 0.628 | S | S | * | * | trans | -131.8 | 65.7 | 158.3 | -65.6 | -167.8 | 22.8 | 0 | 0 | 112.6 | Q1400 | Q1398-Q1400 PolarHBondContact O-N 3.4Š| ||
| 1399 | Q | 26.2 | Very low | 43 | Very low | 169 Ų | 169 | 122.9 Ų | 122.9 | 79% | 0.79 | 59% | 0.591 | S | S | * | * | trans | -86.9 | 94.8 | 171.9 | -66.3 | -167.3 | 21.3 | 0 | 0 | 111.4 | H1401 | Q1399-H1401 PolarHBondContact O-N 3.21Å; Q1399-H1401 VanDerWaalsContact O-N 3.11Å | ||
| 1400 | Q | 27.7 | Very low | 46 | Very low | 170 Ų | 170 | 116.9 Ų | 116.9 | 79% | 0.794 | 56% | 0.558 | S | S | * | * | trans | -67.3 | 107.2 | 174.1 | -70.2 | -176.9 | -11.3 | 0 | 0 | 111.1 | Q1398 V1402 | Q1398-Q1400 PolarHBondContact O-N 3.4Å; Q1400-V1402 PolarHBondContact O-N 2.86Å; Q1400-V1402 VanDerWaalsContact O-N 3.08Å | ||
| 1401 | H | 34.7 | Very low | 49.2 | Very low | 89 Ų | 89 | 108.1 Ų | 108.1 | 41% | 0.412 | 52% | 0.52 | S | S | . | . | trans | -68.7 | 102.7 | -177.4 | -110 | -108.9 | 0 | 0 | 0 | 112.7 | S1338 Q1399 R1403 | S1338-H1401 PolarHBondContact OG-CE1 3.39Å; S1338-H1401 PolarHBondContact OG-ND1 2.88Å; Q1399-H1401 PolarHBondContact O-N 3.21Å; Q1399-H1401 VanDerWaalsContact O-N 3.11Å; H1401-R1403 PolarHBondContact O-N 2.91Å; H1401-R1403 VanDerWaalsContact O-N 3.07Å | ||
| 1402 | V | 49.5 | Very low | 52.2 | Low | 85 Ų | 85 | 100.9 Ų | 100.9 | 52% | 0.515 | 48% | 0.481 | S | S | . | . | trans | -74.3 | 94.9 | 170.8 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | I1254 Q1400 I1404 | I1254-V1402 HydrophobicContact CD1-CB 4.26Å; Q1400-V1402 PolarHBondContact O-N 2.86Å; Q1400-V1402 VanDerWaalsContact O-N 3.08Å; V1402-I1404 PolarHBondContact O-N 3.36Å | ||
| 1403 | R | 53 | Low | 55.1 | Low | 155 Ų | 155 | 93.8 Ų | 93.8 | 59% | 0.585 | 44% | 0.444 | S | S | * | . | trans | -57.8 | 124.3 | 171.1 | -83.7 | -172.4 | 174.6 | -177.5 | 3.6 | 110.3 | N1342 H1401 | N1342-R1403 VanDerWaalsContact CG-NH2 3.29Å; N1342-R1403 PolarHBondContact OD1-NH2 3.46Å; H1401-R1403 PolarHBondContact O-N 2.91Å; H1401-R1403 VanDerWaalsContact O-N 3.07Å | ||
| 1404 | I | 65.6 | Low | 58.1 | Low | 18 Ų | 18 | 86.7 Ų | 86.7 | 9% | 0.092 | 41% | 0.406 | C | S | . | . | trans | -69.6 | 135 | 167.6 | -74.1 | 170.1 | 0 | 0 | 0 | 109.5 | L1257 L1334 V1402 S1406 | L1257-I1404 HydrophobicContact CD2-CD1 3.76Å; L1257-I1404 HydrophobicContact CD2-CG1 4.23Å; L1257-I1404 HydrophobicContact CD2-CG2 3.71Å; L1334-I1404 HydrophobicContact CD2-CD1 3.5Å; L1334-I1404 VanDerWaalsContact CD2-CD1 3.5Å; L1334-I1404 HydrophobicContact CD2-CG1 4.09Å; L1334-I1404 HydrophobicContact CG-CD1 4.14Å; V1402-I1404 PolarHBondContact O-N 3.36Å; I1404-S1406 PolarHBondContact O-N 3.15Å; I1404-S1406 VanDerWaalsContact O-N 3.12Å | ||
| 1405 | D | 70.2 | Confident | 61.1 | Low | 77 Ų | 77 | 80 Ų | 80 | 41% | 0.412 | 37% | 0.37 | S | S | . | . | trans | -61.7 | 110.1 | 165.3 | 166.2 | 21.1 | 0 | 0 | 0 | 109.5 | Q1407 R1408 | D1405-Q1407 PolarHBondContact O-N 2.95Å; D1405-Q1407 VanDerWaalsContact OD1-CB 3.22Å; D1405-Q1407 WeakPolarHBondContact OD1-CB 3.5Å; D1405-Q1407 PolarHBondContact OD1-N 2.8Å; D1405-R1408 HydrophobicContact CB-CG 3.92Å; D1405-R1408 WeakPolarHBondContact O-CB 3.28Å; D1405-R1408 PolarHBondContact O-N 3.05Å; D1405-R1408 WeakPolarHBondContact OD2-CG 3.47Å; D1405-R1408 IonicContact OD2-NE 3.75Å | ||
| 1406 | S | 75.4 | Confident | 64.5 | Low | 32 Ų | 32 | 69.7 Ų | 69.7 | 22% | 0.224 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -47.6 | -35.7 | 177.4 | -177.3 | 0 | 0 | 0 | 0 | 112.3 | I1404 R1408 L1409 Q1410 L1482 | I1404-S1406 PolarHBondContact O-N 3.15Å; I1404-S1406 VanDerWaalsContact O-N 3.12Å; S1406-R1408 VanDerWaalsContact C-N 3.28Å; S1406-R1408 PolarHBondContact O-N 2.99Å; S1406-L1409 WeakPolarHBondContact O-CB 3.27Å; S1406-L1409 PolarHBondContact O-N 3.06Å; S1406-L1409 VanDerWaalsContact O-N 3.1Å; S1406-Q1410 PolarHBondContact O-N 3.17Å; S1406-L1482 VanDerWaalsContact OG-CD2 3.24Å; S1406-L1482 WeakPolarHBondContact OG-CD2 3.45Å |
| 1407 | Q | 81.8 | Confident | 67.3 | Low | 42 Ų | 42 | 62.4 Ų | 62.4 | 20% | 0.196 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.7 | -27.7 | -179.2 | -170.7 | 66.3 | 103.9 | 0 | 0 | 112.9 | D1405 D1411 | D1405-Q1407 PolarHBondContact O-N 2.95Å; D1405-Q1407 VanDerWaalsContact OD1-CB 3.22Å; D1405-Q1407 WeakPolarHBondContact OD1-CB 3.5Å; D1405-Q1407 PolarHBondContact OD1-N 2.8Å; Q1407-D1411 WeakPolarHBondContact O-CB 3.38Å; Q1407-D1411 PolarHBondContact O-N 3.41Å |
| 1408 | R | 85.1 | Confident | 70.2 | Confident | 45 Ų | 45 | 54.2 Ų | 54.2 | 17% | 0.17 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 172.3 | -59.7 | -61.1 | -170.4 | 116.6 | -3.6 | 111.4 | R1112 L1258 D1405 S1406 D1411 L1412 | R1112-R1408 PolarHBondContact O-NH1 3.02Å; R1112-R1408 VanDerWaalsContact O-NH1 3.17Å; R1112-R1408 PolarHBondContact O-NH2 3.44Å; L1258-R1408 HydrophobicContact CD2-CG 4.38Å; L1258-R1408 PolarHBondContact O-NH1 3.04Å; D1405-R1408 HydrophobicContact CB-CG 3.92Å; D1405-R1408 WeakPolarHBondContact O-CB 3.28Å; D1405-R1408 PolarHBondContact O-N 3.05Å; D1405-R1408 WeakPolarHBondContact OD2-CG 3.47Å; D1405-R1408 IonicContact OD2-NE 3.75Å; S1406-R1408 VanDerWaalsContact C-N 3.28Å; S1406-R1408 PolarHBondContact O-N 2.99Å; R1408-D1411 PolarHBondContact O-N 3.02Å; R1408-L1412 PolarHBondContact O-N 2.61Å |
| 1409 | L | 86.1 | Confident | 73.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.6 | -45.6 | -179.8 | -156.2 | 66.6 | 0 | 0 | 0 | 110.7 | L1257 F1331 S1406 D1411 L1412 L1413 L1478 L1482 | L1257-L1409 HydrophobicContact CD2-CD1 4.27Å; F1331-L1409 HydrophobicContact CB-CD1 4.07Å; F1331-L1409 HydrophobicContact CD2-CD1 4.29Å; F1331-L1409 HydrophobicContact CG-CD1 4.37Å; S1406-L1409 WeakPolarHBondContact O-CB 3.27Å; S1406-L1409 PolarHBondContact O-N 3.06Å; S1406-L1409 VanDerWaalsContact O-N 3.1Å; L1409-D1411 PolarHBondContact O-N 3.16Å; L1409-L1412 PolarHBondContact O-N 2.65Å; L1409-L1413 HydrophobicContact CG-CD1 4.24Å; L1409-L1413 WeakPolarHBondContact O-CG 3.35Å; L1409-L1413 PolarHBondContact O-N 3.39Å; L1409-L1478 HydrophobicContact CD1-CD1 4.31Å; L1409-L1478 HydrophobicContact CD1-CD2 3.95Å; L1409-L1478 HydrophobicContact CD1-CG 4.26Å; L1409-L1478 HydrophobicContact CD2-CD1 3.93Å; L1409-L1478 HydrophobicContact CD2-CG 4.13Å; L1409-L1478 HydrophobicContact CG-CD1 4.49Å; L1409-L1478 HydrophobicContact CG-CD2 4.43Å; L1409-L1478 HydrophobicContact CG-CG 4.3Å; L1409-L1482 HydrophobicContact CB-CD1 4.26Å; L1409-L1482 HydrophobicContact CB-CD2 4.47Å; L1409-L1482 HydrophobicContact CD2-CD1 4.12Å; L1409-L1482 HydrophobicContact CD2-CD2 4.12Å; L1409-L1482 HydrophobicContact CD2-CG 4.15Å; L1409-L1482 HydrophobicContact CG-CD1 4.13Å |
| 1410 | Q | 85 | Confident | 76 | Confident | 35 Ų | 35 | 39.5 Ų | 39.5 | 16% | 0.164 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.5 | -43.4 | 172.3 | -72.2 | -178.4 | -7.7 | 0 | 0 | 112.9 | S1406 S1414 L1482 | S1406-Q1410 PolarHBondContact O-N 3.17Å; Q1410-S1414 WeakPolarHBondContact O-CB 3.49Å; Q1410-S1414 PolarHBondContact O-N 3.1Å; Q1410-S1414 PolarHBondContact O-OG 2.85Å; Q1410-L1482 HydrophobicContact CG-CD1 3.89Å; Q1410-L1482 HydrophobicContact CG-CD2 4.06Å |
| 1411 | D | 89.1 | Confident | 79 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.9 | -44 | 176.1 | -103 | -16.5 | 0 | 0 | 0 | 111.2 | L1105 R1108 M1109 R1112 Q1407 R1408 L1409 Y1415 | L1105-D1411 WeakPolarHBondContact CD2-OD1 3.17Å; R1108-D1411 IonicContact CZ-OD1 3.66Å; R1108-D1411 IonicContact NH2-OD1 3.58Å; R1108-D1411 PolarHBondContact NH2-OD1 3.43Å; M1109-D1411 HydrophobicContact CG-CB 3.87Å; M1109-D1411 HydrophobicContact SD-CB 4.18Å; R1112-D1411 IonicContact CZ-OD2 3.66Å; R1112-D1411 IonicContact NH1-OD2 2.76Å; R1112-D1411 PolarHBondContact NH1-OD2 3.02Å; Q1407-D1411 WeakPolarHBondContact O-CB 3.38Å; Q1407-D1411 PolarHBondContact O-N 3.41Å; R1408-D1411 PolarHBondContact O-N 3.02Å; L1409-D1411 PolarHBondContact O-N 3.16Å; D1411-Y1415 WeakPolarHBondContact O-CB 3.35Å; D1411-Y1415 PolarHBondContact O-N 2.79Å |
| 1412 | L | 91.4 | Very high | 81.5 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.4 | -49.3 | 178.6 | 174.4 | 61.2 | 0 | 0 | 0 | 112.2 | M1109 L1257 V1262 F1331 R1408 L1409 S1414 Y1415 I1416 | M1109-L1412 HydrophobicContact CE-CB 4.32Å; M1109-L1412 HydrophobicContact CE-CD1 4.15Å; L1257-L1412 HydrophobicContact CD1-CB 4.32Å; L1257-L1412 HydrophobicContact CD1-CD2 3.59Å; V1262-L1412 HydrophobicContact CB-CD1 4.11Å; V1262-L1412 HydrophobicContact CB-CD2 4.4Å; V1262-L1412 HydrophobicContact CG1-CD1 3.87Å; V1262-L1412 HydrophobicContact CG1-CD2 4.11Å; V1262-L1412 HydrophobicContact CG2-CD2 4.5Å; F1331-L1412 HydrophobicContact CD2-CD2 4.24Å; F1331-L1412 HydrophobicContact CE2-CD2 3.76Å; R1408-L1412 PolarHBondContact O-N 2.61Å; L1409-L1412 PolarHBondContact O-N 2.65Å; L1412-S1414 VanDerWaalsContact C-N 3.35Å; L1412-Y1415 WeakPolarHBondContact O-CA 3.36Å; L1412-Y1415 WeakPolarHBondContact O-CB 3.37Å; L1412-Y1415 PolarHBondContact O-N 3.12Å; L1412-I1416 HydrophobicContact CD1-CD1 4.09Å; L1412-I1416 HydrophobicContact CD1-CG1 4.25Å; L1412-I1416 HydrophobicContact CG-CD1 4.05Å; L1412-I1416 WeakPolarHBondContact O-CG1 3.43Å; L1412-I1416 PolarHBondContact O-N 3.34Å |
| 1413 | L | 89.1 | Confident | 83.1 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.3 | -41.5 | 179.4 | -70.8 | 163.2 | 0 | 0 | 0 | 111.1 | L1409 Y1415 I1416 V1417 L1475 L1478 L1479 L1482 L1586 | L1409-L1413 HydrophobicContact CG-CD1 4.24Å; L1409-L1413 WeakPolarHBondContact O-CG 3.35Å; L1409-L1413 PolarHBondContact O-N 3.39Å; L1413-Y1415 PolarHBondContact O-N 3.21Å; L1413-I1416 PolarHBondContact O-N 3.43Å; L1413-V1417 PolarHBondContact O-N 3.14Å; L1413-V1417 VanDerWaalsContact O-N 3.09Å; L1413-L1475 HydrophobicContact CD2-CD1 3.4Å; L1413-L1475 VanDerWaalsContact CD2-CD1 3.4Å; L1413-L1475 HydrophobicContact CD2-CG 4.26Å; L1413-L1478 HydrophobicContact CD1-CB 4.49Å; L1413-L1478 HydrophobicContact CD1-CD2 4.32Å; L1413-L1478 HydrophobicContact CD1-CG 4.13Å; L1413-L1478 HydrophobicContact CD2-CD2 4.22Å; L1413-L1479 HydrophobicContact CB-CD2 4.08Å; L1413-L1479 HydrophobicContact CD1-CD2 3.8Å; L1413-L1479 HydrophobicContact CD1-CG 4.18Å; L1413-L1479 HydrophobicContact CD2-CD2 4.48Å; L1413-L1479 HydrophobicContact CD2-CG 4.35Å; L1413-L1479 HydrophobicContact CG-CD2 4.34Å; L1413-L1482 HydrophobicContact CD1-CD1 3.43Å; L1413-L1482 VanDerWaalsContact CD1-CD1 3.43Å; L1413-L1586 HydrophobicContact CB-CD2 4.09Å |
| 1414 | S | 87.1 | Confident | 84.6 | Confident | 8 Ų | 8 | 18.3 Ų | 18.3 | 6% | 0.056 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -55.4 | -38.4 | 169.4 | -70.8 | 0 | 0 | 0 | 0 | 112.4 | Q1410 L1412 S1418 | Q1410-S1414 WeakPolarHBondContact O-CB 3.49Å; Q1410-S1414 PolarHBondContact O-N 3.1Å; Q1410-S1414 PolarHBondContact O-OG 2.85Å; L1412-S1414 VanDerWaalsContact C-N 3.35Å; S1414-S1418 WeakPolarHBondContact O-CB 3.48Å; S1414-S1418 PolarHBondContact O-N 2.82Å; S1414-S1418 PolarHBondContact O-OG 3.2Å |
| 1415 | Y | 93.1 | Very high | 85.6 | Confident | 16 Ų | 16 | 17.5 Ų | 17.5 | 6% | 0.063 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -71.9 | -46.7 | 177.4 | -176.5 | -109.8 | 0 | 0 | 0 | 112.7 | A1102 L1105 R1106 M1109 V1266 D1267 D1411 L1412 L1413 V1417 S1418 S1419 | A1102-Y1415 HydrophobicContact CB-CE2 4.45Å; L1105-Y1415 HydrophobicContact CB-CD2 4.11Å; R1106-Y1415 HydrophobicContact CB-CD2 4.29Å; R1106-Y1415 HydrophobicContact CB-CE2 3.73Å; R1106-Y1415 HydrophobicContact CG-CE2 4.35Å; R1106-Y1415 PolarHBondContact NH1-OH 2.96Å; M1109-Y1415 HydrophobicContact CE-CD1 4.32Å; M1109-Y1415 HydrophobicContact CE-CG 4.15Å; M1109-Y1415 HydrophobicContact SD-CG 4.09Å; V1266-Y1415 HydrophobicContact CB-CE1 4.12Å; V1266-Y1415 HydrophobicContact CG1-CD1 4.1Å; V1266-Y1415 HydrophobicContact CG1-CE1 3.77Å; D1267-Y1415 PolarHBondContact OD1-OH 3.47Å; D1411-Y1415 WeakPolarHBondContact O-CB 3.35Å; D1411-Y1415 PolarHBondContact O-N 2.79Å; L1412-Y1415 WeakPolarHBondContact O-CA 3.36Å; L1412-Y1415 WeakPolarHBondContact O-CB 3.37Å; L1412-Y1415 PolarHBondContact O-N 3.12Å; L1413-Y1415 PolarHBondContact O-N 3.21Å; Y1415-V1417 VanDerWaalsContact C-N 3.33Å; Y1415-V1417 PolarHBondContact O-N 2.78Å; Y1415-S1418 CarbonylContact O-C 3.59Å; Y1415-S1418 PolarHBondContact O-N 3.03Å; Y1415-S1419 VanDerWaalsContact O-CB 3.31Å; Y1415-S1419 WeakPolarHBondContact O-CB 3.28Å; Y1415-S1419 PolarHBondContact O-N 2.77Å |
| 1416 | I | 91.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -54.3 | -51.1 | 178.1 | -69.8 | 166.7 | 0 | 0 | 0 | 109.9 | V1266 L1328 L1412 L1413 S1419 F1471 L1475 | V1266-I1416 HydrophobicContact CG2-CG1 3.88Å; L1328-I1416 HydrophobicContact CD2-CD1 4.11Å; L1412-I1416 HydrophobicContact CD1-CD1 4.09Å; L1412-I1416 HydrophobicContact CD1-CG1 4.25Å; L1412-I1416 HydrophobicContact CG-CD1 4.05Å; L1412-I1416 WeakPolarHBondContact O-CG1 3.43Å; L1412-I1416 PolarHBondContact O-N 3.34Å; L1413-I1416 PolarHBondContact O-N 3.43Å; I1416-S1419 PolarHBondContact O-N 3.39Å; I1416-S1419 PolarHBondContact O-OG 2.94Å; I1416-F1471 HydrophobicContact CG2-CZ 3.99Å; I1416-L1475 HydrophobicContact CB-CD1 4.37Å; I1416-L1475 HydrophobicContact CD1-CD1 3.96Å; I1416-L1475 HydrophobicContact CG2-CD1 3.83Å; I1416-L1475 HydrophobicContact CG2-CD2 4.27Å |
| 1417 | V | 85.4 | Confident | 86.2 | Confident | 3 Ų | 3 | 16.3 Ų | 16.3 | 2% | 0.018 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -70.1 | -38 | 178.9 | 176.3 | 0 | 0 | 0 | 0 | 111.9 | R1098 L1413 Y1415 S1419 V1422 L1586 T1589 I1590 | R1098-V1417 PolarHBondContact NE-O 2.97Å; R1098-V1417 PolarHBondContact NH2-O 3.31Å; L1413-V1417 PolarHBondContact O-N 3.14Å; L1413-V1417 VanDerWaalsContact O-N 3.09Å; Y1415-V1417 VanDerWaalsContact C-N 3.33Å; Y1415-V1417 PolarHBondContact O-N 2.78Å; V1417-S1419 VanDerWaalsContact C-N 3.26Å; V1417-S1419 PolarHBondContact O-N 3.46Å; V1417-V1422 HydrophobicContact CG2-CG2 4.31Å; V1417-L1586 HydrophobicContact CB-CD1 3.94Å; V1417-L1586 HydrophobicContact CB-CD2 4.39Å; V1417-L1586 HydrophobicContact CB-CG 4.1Å; V1417-L1586 HydrophobicContact CG1-CD1 4.07Å; V1417-L1586 HydrophobicContact CG1-CG 4.18Å; V1417-L1586 HydrophobicContact CG2-CD1 4.33Å; V1417-L1586 HydrophobicContact CG2-CD2 3.88Å; V1417-L1586 HydrophobicContact CG2-CG 3.95Å; V1417-T1589 HydrophobicContact CG1-CG2 3.37Å; V1417-I1590 HydrophobicContact CG2-CD1 4.24Å; V1417-I1590 HydrophobicContact CG2-CG1 4.22Å |
| 1418 | S | 86.4 | Confident | 86 | Confident | 8 Ų | 8 | 15.3 Ų | 15.3 | 6% | 0.056 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -69.8 | -19 | 176.1 | -60.3 | 0 | 0 | 0 | 0 | 113.9 | A1102 L1105 S1414 Y1415 G1420 | A1102-S1418 WeakPolarHBondContact CB-O 3.46Å; L1105-S1418 WeakPolarHBondContact CD1-OG 3.05Å; S1414-S1418 WeakPolarHBondContact O-CB 3.48Å; S1414-S1418 PolarHBondContact O-N 2.82Å; S1414-S1418 PolarHBondContact O-OG 3.2Å; Y1415-S1418 CarbonylContact O-C 3.59Å; Y1415-S1418 PolarHBondContact O-N 3.03Å; S1418-G1420 VanDerWaalsContact C-N 3.33Å; S1418-G1420 PolarHBondContact O-N 3.25Å |
| 1419 | S | 86.3 | Confident | 85.8 | Confident | 27 Ų | 27 | 13.3 Ų | 13.3 | 19% | 0.189 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -23.4 | -174.8 | 73.2 | 0 | 0 | 0 | 0 | 114.2 | Y1415 I1416 V1417 L1421 | Y1415-S1419 VanDerWaalsContact O-CB 3.31Å; Y1415-S1419 WeakPolarHBondContact O-CB 3.28Å; Y1415-S1419 PolarHBondContact O-N 2.77Å; I1416-S1419 PolarHBondContact O-N 3.39Å; I1416-S1419 PolarHBondContact O-OG 2.94Å; V1417-S1419 VanDerWaalsContact C-N 3.26Å; V1417-S1419 PolarHBondContact O-N 3.46Å; S1419-L1421 VanDerWaalsContact OG-CB 3.26Å; S1419-L1421 WeakPolarHBondContact OG-CB 3.41Å; S1419-L1421 PolarHBondContact OG-N 3.46Å; S1419-L1421 VanDerWaalsContact OG-N 3.11Å |
| 1420 | G | 83.6 | Confident | 85.1 | Confident | 12 Ų | 12 | 15.3 Ų | 15.3 | 12% | 0.124 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88 | 1.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1418 V1422 D1423 L1424 | S1418-G1420 VanDerWaalsContact C-N 3.33Å; S1418-G1420 PolarHBondContact O-N 3.25Å; G1420-V1422 VanDerWaalsContact C-N 3.33Å; G1420-V1422 PolarHBondContact O-N 2.88Å; G1420-D1423 WeakPolarHBondContact O-CB 3.42Å; G1420-D1423 PolarHBondContact O-N 3.21Å; G1420-L1424 WeakPolarHBondContact O-CG 3.37Å; G1420-L1424 PolarHBondContact O-N 2.69Å |
| 1421 | L | 90.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.2 | -42.2 | 176.3 | -175.1 | 154.1 | 0 | 0 | 0 | 112.4 | V1266 L1269 V1270 L1324 S1419 L1424 I1425 F1471 | V1266-L1421 HydrophobicContact CG1-CD1 4.06Å; L1269-L1421 HydrophobicContact CB-CD1 3.7Å; L1269-L1421 HydrophobicContact CD1-CD1 4Å; V1270-L1421 HydrophobicContact CG2-CB 3.76Å; V1270-L1421 HydrophobicContact CG2-CD1 4.39Å; V1270-L1421 HydrophobicContact CG2-CG 4.43Å; L1324-L1421 HydrophobicContact CD2-CD1 4.34Å; S1419-L1421 VanDerWaalsContact OG-CB 3.26Å; S1419-L1421 WeakPolarHBondContact OG-CB 3.41Å; S1419-L1421 PolarHBondContact OG-N 3.46Å; S1419-L1421 VanDerWaalsContact OG-N 3.11Å; L1421-L1424 PolarHBondContact O-N 3.26Å; L1421-I1425 HydrophobicContact CD2-CD1 3.6Å; L1421-I1425 HydrophobicContact CD2-CG1 4.38Å; L1421-I1425 WeakPolarHBondContact O-CG1 3.46Å; L1421-I1425 PolarHBondContact O-N 3.28Å; L1421-F1471 HydrophobicContact CD2-CD1 4.35Å; L1421-F1471 HydrophobicContact CD2-CE1 3.4Å; L1421-F1471 VanDerWaalsContact CD2-CE1 3.4Å; L1421-F1471 HydrophobicContact CD2-CE2 4.45Å; L1421-F1471 HydrophobicContact CD2-CZ 3.47Å; L1421-F1471 VanDerWaalsContact CD2-CZ 3.47Å |
| 1422 | V | 87.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.7 | -49.4 | 177.6 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | V1417 G1420 L1424 I1425 S1426 L1472 L1475 T1593 V1595 | V1417-V1422 HydrophobicContact CG2-CG2 4.31Å; G1420-V1422 VanDerWaalsContact C-N 3.33Å; G1420-V1422 PolarHBondContact O-N 2.88Å; V1422-L1424 VanDerWaalsContact C-N 3.28Å; V1422-L1424 PolarHBondContact O-N 2.91Å; V1422-I1425 PolarHBondContact O-N 3.39Å; V1422-S1426 PolarHBondContact O-N 3.21Å; V1422-S1426 PolarHBondContact O-OG 3.37Å; V1422-S1426 VanDerWaalsContact O-OG 3.11Å; V1422-L1472 HydrophobicContact CG1-CD2 4.31Å; V1422-L1475 HydrophobicContact CG2-CD2 4.11Å; V1422-T1593 HydrophobicContact CG1-CG2 4.42Å; V1422-V1595 HydrophobicContact CG1-CG2 4.01Å |
| 1423 | D | 82 | Confident | 82.1 | Confident | 31 Ų | 31 | 26.1 Ų | 26.1 | 17% | 0.166 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -52.9 | -46.6 | 176.1 | -39.3 | -5 | 0 | 0 | 0 | 111.3 | R1098 G1420 I1425 S1426 I1427 T1593 | R1098-D1423 IonicContact CZ-OD1 3.37Å; R1098-D1423 IonicContact CZ-OD2 3.5Å; R1098-D1423 VanDerWaalsContact CZ-OD2 3.24Å; R1098-D1423 IonicContact NH1-OD1 2.68Å; R1098-D1423 PolarHBondContact NH1-OD1 2.71Å; R1098-D1423 IonicContact NH1-OD2 2.78Å; R1098-D1423 PolarHBondContact NH1-OD2 3.04Å; R1098-D1423 IonicContact NH2-OD1 3.08Å; R1098-D1423 PolarHBondContact NH2-OD1 3.04Å; R1098-D1423 IonicContact NH2-OD2 3.08Å; G1420-D1423 WeakPolarHBondContact O-CB 3.42Å; G1420-D1423 PolarHBondContact O-N 3.21Å; D1423-I1425 VanDerWaalsContact C-N 3.34Å; D1423-I1425 PolarHBondContact O-N 2.94Å; D1423-S1426 PolarHBondContact O-N 3.05Å; D1423-I1427 WeakPolarHBondContact O-CB 3.34Å; D1423-I1427 WeakPolarHBondContact O-CD1 3.29Å; D1423-I1427 VanDerWaalsContact O-CG1 3.23Å; D1423-I1427 WeakPolarHBondContact O-CG1 3.49Å; D1423-I1427 PolarHBondContact O-N 2.89Å; D1423-T1593 VanDerWaalsContact OD1-CG2 3.25Å; D1423-T1593 WeakPolarHBondContact OD1-CG2 3.02Å |
| 1424 | L | 85.5 | Confident | 81 | Confident | 24 Ų | 24 | 26.9 Ų | 26.9 | 13% | 0.126 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.9 | -32.9 | 179.9 | -73.4 | 168.4 | 0 | 0 | 0 | 113 | V1270 F1273 I1277 G1420 L1421 V1422 R1428 | V1270-L1424 HydrophobicContact CB-CD1 4.47Å; V1270-L1424 HydrophobicContact CG1-CD1 4.06Å; F1273-L1424 HydrophobicContact CB-CB 4.04Å; F1273-L1424 HydrophobicContact CB-CD1 4.11Å; F1273-L1424 HydrophobicContact CB-CG 4.5Å; I1277-L1424 HydrophobicContact CD1-CD2 3.74Å; G1420-L1424 WeakPolarHBondContact O-CG 3.37Å; G1420-L1424 PolarHBondContact O-N 2.69Å; L1421-L1424 PolarHBondContact O-N 3.26Å; V1422-L1424 VanDerWaalsContact C-N 3.28Å; V1422-L1424 PolarHBondContact O-N 2.91Å; L1424-R1428 WeakPolarHBondContact O-CG 3.31Å |
| 1425 | I | 86.2 | Confident | 79.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -75 | -44.3 | 173.3 | -70.5 | 178.4 | 0 | 0 | 0 | 110.2 | F1273 L1321 L1421 V1422 D1423 I1427 R1428 L1429 F1471 L1472 | F1273-I1425 HydrophobicContact CD2-CG1 4.4Å; F1273-I1425 HydrophobicContact CE2-CD1 4.14Å; F1273-I1425 HydrophobicContact CE2-CG1 3.88Å; F1273-I1425 HydrophobicContact CZ-CD1 4.49Å; F1273-I1425 HydrophobicContact CZ-CG1 4.11Å; L1321-I1425 HydrophobicContact CD1-CD1 4.08Å; L1421-I1425 HydrophobicContact CD2-CD1 3.6Å; L1421-I1425 HydrophobicContact CD2-CG1 4.38Å; L1421-I1425 WeakPolarHBondContact O-CG1 3.46Å; L1421-I1425 PolarHBondContact O-N 3.28Å; V1422-I1425 PolarHBondContact O-N 3.39Å; D1423-I1425 VanDerWaalsContact C-N 3.34Å; D1423-I1425 PolarHBondContact O-N 2.94Å; I1425-I1427 PolarHBondContact O-N 3.45Å; I1425-R1428 WeakPolarHBondContact O-CB 3.39Å; I1425-R1428 PolarHBondContact O-N 2.9Å; I1425-L1429 HydrophobicContact CG2-CD1 3.75Å; I1425-L1429 HydrophobicContact CG2-CG 4.26Å; I1425-L1429 WeakPolarHBondContact O-CG 3.46Å; I1425-L1429 PolarHBondContact O-N 3.17Å; I1425-F1471 HydrophobicContact CD1-CD1 3.68Å; I1425-F1471 HydrophobicContact CD1-CE1 3.92Å; I1425-L1472 HydrophobicContact CG2-CD1 4.33Å |
| 1426 | S | 81.8 | Confident | 78.2 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56 | -49.4 | 177 | -61.5 | 0 | 0 | 0 | 0 | 111.8 | V1422 D1423 R1428 L1429 S1430 V1595 | V1422-S1426 PolarHBondContact O-N 3.21Å; V1422-S1426 PolarHBondContact O-OG 3.37Å; V1422-S1426 VanDerWaalsContact O-OG 3.11Å; D1423-S1426 PolarHBondContact O-N 3.05Å; S1426-R1428 PolarHBondContact O-N 3.12Å; S1426-R1428 VanDerWaalsContact O-N 3.07Å; S1426-L1429 PolarHBondContact O-N 3.42Å; S1426-S1430 PolarHBondContact O-N 3.47Å; S1426-S1430 PolarHBondContact O-OG 3.15Å; S1426-S1430 VanDerWaalsContact O-OG 3.08Å; S1426-V1595 WeakPolarHBondContact OG-CG2 3.42Å; S1426-V1595 PolarHBondContact OG-N 3.02Å |
| 1427 | I | 75.8 | Confident | 76.8 | Confident | 84 Ų | 84 | 37 Ų | 37 | 43% | 0.431 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.6 | -17.2 | 177.3 | -68.3 | 163.9 | 0 | 0 | 0 | 113 | D1423 I1425 | D1423-I1427 WeakPolarHBondContact O-CB 3.34Å; D1423-I1427 WeakPolarHBondContact O-CD1 3.29Å; D1423-I1427 VanDerWaalsContact O-CG1 3.23Å; D1423-I1427 WeakPolarHBondContact O-CG1 3.49Å; D1423-I1427 PolarHBondContact O-N 2.89Å; I1425-I1427 PolarHBondContact O-N 3.45Å |
| 1428 | R | 78.7 | Confident | 75.7 | Confident | 21 Ų | 21 | 37.1 Ų | 37.1 | 8% | 0.079 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -84.5 | -49 | 168.8 | -65 | -55.6 | -169.1 | 112.9 | 14.3 | 112 | S1276 I1277 L1424 I1425 S1426 S1430 N1431 Q1434 F1464 | S1276-R1428 PolarHBondContact O-NH2 3.36Å; I1277-R1428 VanDerWaalsContact N-NH2 3.19Å; L1424-R1428 WeakPolarHBondContact O-CG 3.31Å; I1425-R1428 WeakPolarHBondContact O-CB 3.39Å; I1425-R1428 PolarHBondContact O-N 2.9Å; S1426-R1428 PolarHBondContact O-N 3.12Å; S1426-R1428 VanDerWaalsContact O-N 3.07Å; R1428-S1430 VanDerWaalsContact C-N 3.28Å; R1428-S1430 PolarHBondContact O-N 3.13Å; R1428-N1431 WeakPolarHBondContact O-CB 3.45Å; R1428-N1431 PolarHBondContact O-N 3.39Å; R1428-Q1434 VanDerWaalsContact O-CD 3.28Å; R1428-Q1434 PolarHBondContact O-OE1 3.29Å; R1428-F1464 HydrophobicContact CB-CE1 3.6Å; R1428-F1464 HydrophobicContact CB-CZ 3.55Å; R1428-F1464 HydrophobicContact CG-CE1 4.34Å; R1428-F1464 HydrophobicContact CG-CZ 3.95Å |
| 1429 | L | 80 | Confident | 74.3 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.6 | -33.6 | -179.1 | -64.2 | 171.6 | 0 | 0 | 0 | 112.1 | I1425 S1426 N1431 F1464 V1465 L1472 L1598 | I1425-L1429 HydrophobicContact CG2-CD1 3.75Å; I1425-L1429 HydrophobicContact CG2-CG 4.26Å; I1425-L1429 WeakPolarHBondContact O-CG 3.46Å; I1425-L1429 PolarHBondContact O-N 3.17Å; S1426-L1429 PolarHBondContact O-N 3.42Å; L1429-N1431 VanDerWaalsContact C-N 3.26Å; L1429-N1431 PolarHBondContact O-N 2.91Å; L1429-F1464 HydrophobicContact CD2-CE1 4.36Å; L1429-V1465 HydrophobicContact CD2-CB 4.46Å; L1429-V1465 HydrophobicContact CD2-CG1 4.31Å; L1429-V1465 HydrophobicContact CD2-CG2 4.09Å; L1429-L1472 HydrophobicContact CD1-CD1 4.01Å; L1429-L1598 HydrophobicContact CB-CD2 4.22Å; L1429-L1598 HydrophobicContact CD1-CD1 4.34Å; L1429-L1598 HydrophobicContact CD1-CD2 3.99Å; L1429-L1598 HydrophobicContact CD1-CG 4.17Å; L1429-L1598 HydrophobicContact CD2-CD2 4.07Å; L1429-L1598 HydrophobicContact CG-CD2 4.32Å |
| 1430 | S | 71.8 | Confident | 72.8 | Confident | 43 Ų | 43 | 40.3 Ų | 40.3 | 30% | 0.301 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -1 | 173.3 | 64.5 | 0 | 0 | 0 | 0 | 114.1 | S1426 R1428 P1432 E1594 | S1426-S1430 PolarHBondContact O-N 3.47Å; S1426-S1430 PolarHBondContact O-OG 3.15Å; S1426-S1430 VanDerWaalsContact O-OG 3.08Å; R1428-S1430 VanDerWaalsContact C-N 3.28Å; R1428-S1430 PolarHBondContact O-N 3.13Å; S1430-P1432 VanDerWaalsContact O-CD 3.29Å; S1430-P1432 WeakPolarHBondContact O-CD 3.46Å; S1430-E1594 WeakPolarHBondContact CB-OE2 3.47Å; S1430-E1594 PolarHBondContact OG-OE2 3.48Å |
| 1431 | N | 71.7 | Confident | 71.4 | Confident | 58 Ų | 58 | 41.9 Ų | 41.9 | 31% | 0.31 | 23% | 0.226 | S | C | . | . | trans | -78.3 | 112.6 | -178.5 | -167.3 | -51.6 | 0 | 0 | 0 | 111.1 | R1428 L1429 K1433 Q1434 | R1428-N1431 WeakPolarHBondContact O-CB 3.45Å; R1428-N1431 PolarHBondContact O-N 3.39Å; L1429-N1431 VanDerWaalsContact C-N 3.26Å; L1429-N1431 PolarHBondContact O-N 2.91Å; N1431-K1433 PolarHBondContact O-N 2.95Å; N1431-K1433 WeakPolarHBondContact OD1-CB 3.44Å; N1431-K1433 PolarHBondContact OD1-N 3.28Å; N1431-K1433 VanDerWaalsContact OD1-N 3.16Å; N1431-Q1434 HydrophobicContact CB-CG 4.41Å; N1431-Q1434 WeakPolarHBondContact O-CB 3.38Å; N1431-Q1434 PolarHBondContact O-N 3.4Å | ||
| 1432 | P | 62.6 | Low | 69.4 | Low | 96 Ų | 96 | 43.3 Ų | 43.3 | 62% | 0.623 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -63.9 | -19.5 | -172.7 | 25.7 | -35.3 | 0 | 0 | 0 | 113.3 | S1430 Q1434 A1435 N1436 | S1430-P1432 VanDerWaalsContact O-CD 3.29Å; S1430-P1432 WeakPolarHBondContact O-CD 3.46Å; P1432-Q1434 PolarHBondContact O-N 2.89Å; P1432-A1435 WeakPolarHBondContact O-CB 3.25Å; P1432-A1435 PolarHBondContact O-N 3.45Å; P1432-N1436 PolarHBondContact O-N 3.06Å; P1432-N1436 PolarHBondContact O-OD1 2.97Å |
| 1433 | K | 67.3 | Low | 67.2 | Low | 113 Ų | 113 | 47.6 Ų | 47.6 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.4 | -32 | 172.7 | -60.7 | -174.6 | 179.1 | -177 | 0 | 111.8 | N1431 N1436 W1437 | N1431-K1433 PolarHBondContact O-N 2.95Å; N1431-K1433 WeakPolarHBondContact OD1-CB 3.44Å; N1431-K1433 PolarHBondContact OD1-N 3.28Å; N1431-K1433 VanDerWaalsContact OD1-N 3.16Å; K1433-N1436 PolarHBondContact O-N 3Å; K1433-W1437 PolarHBondContact O-N 2.91Å |
| 1434 | Q | 67.8 | Low | 64.9 | Low | 17 Ų | 17 | 51 Ų | 51 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 176.3 | -66.8 | -162.9 | -20.2 | 0 | 0 | 111.6 | R1428 N1431 P1432 N1436 W1437 L1438 | R1428-Q1434 VanDerWaalsContact O-CD 3.28Å; R1428-Q1434 PolarHBondContact O-OE1 3.29Å; N1431-Q1434 HydrophobicContact CB-CG 4.41Å; N1431-Q1434 WeakPolarHBondContact O-CB 3.38Å; N1431-Q1434 PolarHBondContact O-N 3.4Å; P1432-Q1434 PolarHBondContact O-N 2.89Å; Q1434-N1436 VanDerWaalsContact C-N 3.31Å; Q1434-N1436 PolarHBondContact O-N 3.28Å; Q1434-W1437 PolarHBondContact O-N 3.16Å; Q1434-L1438 VanDerWaalsContact O-CG 3.3Å; Q1434-L1438 WeakPolarHBondContact O-CG 3.37Å; Q1434-L1438 PolarHBondContact O-N 3.29Å |
| 1435 | A | 60.1 | Low | 62.6 | Low | 10 Ų | 10 | 55.6 Ų | 55.6 | 8% | 0.083 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.3 | -44.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | P1432 L1438 S1439 L1601 C1604 | P1432-A1435 WeakPolarHBondContact O-CB 3.25Å; P1432-A1435 PolarHBondContact O-N 3.45Å; A1435-L1438 PolarHBondContact O-N 2.69Å; A1435-S1439 WeakPolarHBondContact O-CB 3.22Å; A1435-S1439 PolarHBondContact O-N 3.26Å; A1435-L1601 HydrophobicContact CB-CD1 3.76Å; A1435-C1604 HydrophobicContact CB-CB 4.39Å |
| 1436 | N | 60.3 | Low | 60 | Low | 116 Ų | 116 | 63 Ų | 63 | 62% | 0.62 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.4 | -39.5 | 178.4 | -65.5 | 9.1 | 0 | 0 | 0 | 113 | P1432 K1433 Q1434 S1439 S1440 | P1432-N1436 PolarHBondContact O-N 3.06Å; P1432-N1436 PolarHBondContact O-OD1 2.97Å; K1433-N1436 PolarHBondContact O-N 3Å; Q1434-N1436 VanDerWaalsContact C-N 3.31Å; Q1434-N1436 PolarHBondContact O-N 3.28Å; N1436-S1439 PolarHBondContact O-N 2.9Å; N1436-S1440 WeakPolarHBondContact O-CB 3.33Å; N1436-S1440 PolarHBondContact O-N 3.24Å |
| 1437 | W | 62.3 | Low | 57.6 | Low | 112 Ų | 112 | 70.2 Ų | 70.2 | 42% | 0.424 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 173.6 | -71.7 | 109.8 | 0 | 0 | 0 | 111.6 | K1433 Q1434 S1457 T1458 C1461 | K1433-W1437 PolarHBondContact O-N 2.91Å; Q1434-W1437 PolarHBondContact O-N 3.16Å; W1437-S1457 WeakPolarHBondContact CZ3-OG 3.23Å; W1437-T1458 WeakPolarHBondContact O-CG2 3.41Å; W1437-C1461 HydrophobicContact CB-CB 4.32Å |
| 1438 | L | 62.3 | Low | 55.7 | Low | 5 Ų | 5 | 68.6 Ų | 68.6 | 3% | 0.026 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.8 | -39.5 | 177.8 | -68.3 | 173.4 | 0 | 0 | 0 | 112.6 | Q1434 A1435 V1441 Q1462 V1465 L1601 L1605 I1688 | Q1434-L1438 VanDerWaalsContact O-CG 3.3Å; Q1434-L1438 WeakPolarHBondContact O-CG 3.37Å; Q1434-L1438 PolarHBondContact O-N 3.29Å; A1435-L1438 PolarHBondContact O-N 2.69Å; L1438-V1441 WeakPolarHBondContact O-CB 3.41Å; L1438-V1441 WeakPolarHBondContact O-CG2 3.25Å; L1438-V1441 PolarHBondContact O-N 3.43Å; L1438-Q1462 HydrophobicContact CD2-CB 4.3Å; L1438-Q1462 HydrophobicContact CD2-CG 3.54Å; L1438-V1465 HydrophobicContact CD1-CG2 4.36Å; L1438-L1601 HydrophobicContact CD1-CD1 4.5Å; L1438-L1605 HydrophobicContact CB-CD2 3.63Å; L1438-L1605 HydrophobicContact CD1-CD1 4.09Å; L1438-L1605 HydrophobicContact CD1-CD2 4.12Å; L1438-I1688 HydrophobicContact CD1-CD1 4.13Å; L1438-I1688 HydrophobicContact CD2-CD1 3.93Å |
| 1439 | S | 57.4 | Low | 53.6 | Low | 45 Ų | 45 | 77.4 Ų | 77.4 | 32% | 0.315 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.2 | -37.3 | 176 | 172.8 | 0 | 0 | 0 | 0 | 112.4 | A1435 N1436 V1441 N1442 | A1435-S1439 WeakPolarHBondContact O-CB 3.22Å; A1435-S1439 PolarHBondContact O-N 3.26Å; N1436-S1439 PolarHBondContact O-N 2.9Å; S1439-V1441 PolarHBondContact O-N 3.42Å; S1439-N1442 VanDerWaalsContact O-CB 3.29Å; S1439-N1442 WeakPolarHBondContact O-CB 3.32Å; S1439-N1442 PolarHBondContact O-N 3.48Å |
| 1440 | S | 54.7 | Low | 51.5 | Low | 56 Ų | 56 | 79.8 Ų | 79.8 | 39% | 0.392 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -59.1 | -17.8 | 179 | -168.7 | 0 | 0 | 0 | 0 | 114.4 | N1436 N1442 N1444 | N1436-S1440 WeakPolarHBondContact O-CB 3.33Å; N1436-S1440 PolarHBondContact O-N 3.24Å; S1440-N1442 PolarHBondContact O-N 3.02Å; S1440-N1444 PolarHBondContact O-ND2 3.38Å; S1440-N1444 VanDerWaalsContact O-ND2 3.08Å |
| 1441 | V | 52.8 | Low | 50 | Low | 45 Ų | 45 | 80.7 Ų | 80.7 | 27% | 0.273 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -56.1 | -38.4 | 170.3 | -178 | 0 | 0 | 0 | 0 | 111.5 | L1438 S1439 N1443 T1458 Q1462 | L1438-V1441 WeakPolarHBondContact O-CB 3.41Å; L1438-V1441 WeakPolarHBondContact O-CG2 3.25Å; L1438-V1441 PolarHBondContact O-N 3.43Å; S1439-V1441 PolarHBondContact O-N 3.42Å; V1441-N1443 PolarHBondContact O-N 2.86Å; V1441-T1458 HydrophobicContact CG2-CG2 3.43Å; V1441-T1458 VanDerWaalsContact CG2-CG2 3.43Å; V1441-Q1462 VanDerWaalsContact CG2-NE2 3.28Å |
| 1442 | N | 49.3 | Very low | 48.7 | Very low | 30 Ų | 30 | 82.1 Ų | 82.1 | 16% | 0.16 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -72.7 | 0.9 | -170 | -152.9 | 25.1 | 0 | 0 | 0 | 114.7 | S1439 S1440 D1608 K1610 S1681 | S1439-N1442 VanDerWaalsContact O-CB 3.29Å; S1439-N1442 WeakPolarHBondContact O-CB 3.32Å; S1439-N1442 PolarHBondContact O-N 3.48Å; S1440-N1442 PolarHBondContact O-N 3.02Å; N1442-D1608 PolarHBondContact ND2-OD2 2.77Å; N1442-K1610 WeakPolarHBondContact ND2-CB 3.1Å; N1442-S1681 PolarHBondContact ND2-OG 2.84Å; N1442-S1681 WeakPolarHBondContact OD1-CB 3.35Å; N1442-S1681 PolarHBondContact OD1-OG 3.41Å |
| 1443 | N | 40.1 | Very low | 47.8 | Very low | 91 Ų | 91 | 82 Ų | 82 | 49% | 0.487 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -121.4 | 4.4 | -169.5 | -72.6 | -32.9 | 0 | 0 | 0 | 115 | V1441 K1610 | V1441-N1443 PolarHBondContact O-N 2.86Å; N1443-K1610 PolarHBondContact OD1-NZ 3.38Å |
| 1444 | N | 35.2 | Very low | 47.4 | Very low | 101 Ų | 101 | 79 Ų | 79 | 54% | 0.54 | 45% | 0.446 | S | S | . | . | trans | -106.3 | 47.7 | -172.6 | -76.2 | -79.8 | 0 | 0 | 0 | 114.7 | S1440 | S1440-N1444 PolarHBondContact O-ND2 3.38Å; S1440-N1444 VanDerWaalsContact O-ND2 3.08Å | ||
| 1445 | T | 37.2 | Very low | 47.1 | Very low | 121 Ų | 121 | 84.4 Ų | 84.4 | 74% | 0.742 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -88.4 | 130.9 | 154.3 | 49.7 | 0 | 0 | 0 | 0 | 109.1 | ||
| 1446 | D | 31.2 | Very low | 47.4 | Very low | 155 Ų | 155 | 89 Ų | 89 | 83% | 0.829 | 49% | 0.489 | S | S | * | . | S | Bend | trans | 58 | 80.1 | 171.1 | -55.8 | -32.1 | 0 | 0 | 0 | 118.1 | ||
| 1447 | I | 32 | Very low | 47.7 | Very low | 154 Ų | 154 | 84.8 Ų | 84.8 | 79% | 0.79 | 47% | 0.468 | S | S | * | . | trans | -158.1 | 144.8 | 143.9 | -101 | 146 | 0 | 0 | 0 | 109.6 | ||||
| 1448 | G | 34 | Very low | 48.1 | Very low | 49 Ų | 49 | 80.3 Ų | 80.3 | 51% | 0.505 | 45% | 0.454 | S | S | . | . | trans | -86.7 | 140 | -166.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | S1450 | G1448-S1450 PolarHBondContact O-N 2.77Š| ||
| 1449 | H | 35.3 | Very low | 48.9 | Very low | 206 Ų | 206 | 84.7 Ų | 84.7 | 95% | 0.954 | 47% | 0.474 | S | S | * | . | S | Bend | trans | 61.6 | 3.9 | 140 | -68.3 | 82.7 | 0 | 0 | 0 | 121.6 | ||
| 1450 | S | 35.5 | Very low | 50 | Low | 52 Ų | 52 | 84.2 Ų | 84.2 | 36% | 0.364 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -104.4 | -11.8 | 171.6 | 56.5 | 0 | 0 | 0 | 0 | 115.8 | G1448 | G1448-S1450 PolarHBondContact O-N 2.77Š|
| 1451 | N | 40.5 | Very low | 51.2 | Low | 63 Ų | 63 | 82.2 Ų | 82.2 | 34% | 0.337 | 45% | 0.451 | S | S | . | . | trans | -109.5 | 43.5 | -157.2 | -67.2 | 4.1 | 0 | 0 | 0 | 114.8 | S1454 K1455 | N1451-S1454 PolarHBondContact O-OG 2.71Å; N1451-K1455 WeakPolarHBondContact O-CG 3.49Å | ||
| 1452 | S | 44.9 | Very low | 52.7 | Low | 88 Ų | 88 | 81.1 Ų | 81.1 | 62% | 0.615 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -72.6 | -47.5 | 175.2 | 52.6 | 0 | 0 | 0 | 0 | 112.6 | S1454 K1455 Q1456 | S1452-S1454 VanDerWaalsContact C-N 3.33Å; S1452-S1454 PolarHBondContact O-N 2.89Å; S1452-K1455 PolarHBondContact O-N 3.33Å; S1452-Q1456 PolarHBondContact O-N 3.5Å |
| 1453 | I | 44.2 | Very low | 54.5 | Low | 94 Ų | 94 | 84.7 Ų | 84.7 | 48% | 0.482 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | -176 | -61.3 | 173.2 | 0 | 0 | 0 | 111.4 | Q1456 S1457 | I1453-Q1456 PolarHBondContact O-N 3.41Å; I1453-S1457 PolarHBondContact O-N 2.97Å; I1453-S1457 VanDerWaalsContact O-N 3.17Å; I1453-S1457 PolarHBondContact O-OG 3.3Å |
| 1454 | S | 57.5 | Low | 56.8 | Low | 49 Ų | 49 | 80.6 Ų | 80.6 | 34% | 0.343 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -73.1 | -24.6 | -179.9 | 52.2 | 0 | 0 | 0 | 0 | 113.9 | N1451 S1452 S1457 T1458 | N1451-S1454 PolarHBondContact O-OG 2.71Å; S1452-S1454 VanDerWaalsContact C-N 3.33Å; S1452-S1454 PolarHBondContact O-N 2.89Å; S1454-S1457 WeakPolarHBondContact CA-OG 3.18Å; S1454-S1457 PolarHBondContact O-OG 3.05Å; S1454-S1457 VanDerWaalsContact O-OG 3.1Å; S1454-T1458 WeakPolarHBondContact O-CB 3.34Å; S1454-T1458 PolarHBondContact O-N 3.49Å; S1454-T1458 PolarHBondContact O-OG1 3.16Å |
| 1455 | K | 62.9 | Low | 59.2 | Low | 130 Ų | 130 | 75.8 Ų | 75.8 | 57% | 0.565 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -68.3 | -52.4 | 170.4 | -74.6 | -174 | 176.2 | -164.6 | 0 | 110.7 | N1451 S1452 S1457 T1458 E1459 | N1451-K1455 WeakPolarHBondContact O-CG 3.49Å; S1452-K1455 PolarHBondContact O-N 3.33Å; K1455-S1457 VanDerWaalsContact C-N 3.33Å; K1455-S1457 PolarHBondContact O-N 3.29Å; K1455-T1458 WeakPolarHBondContact O-CA 3.44Å; K1455-T1458 WeakPolarHBondContact O-CB 3.3Å; K1455-T1458 PolarHBondContact O-N 2.95Å; K1455-E1459 WeakPolarHBondContact O-CG 3.15Å; K1455-E1459 PolarHBondContact O-N 2.86Å |
| 1456 | Q | 66.1 | Low | 61.8 | Low | 107 Ų | 107 | 71.7 Ų | 71.7 | 50% | 0.5 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.7 | -38.5 | -178.1 | -167.7 | 179.7 | 7.1 | 0 | 0 | 113.1 | V1311 S1452 I1453 T1458 Y1460 | V1311-Q1456 HydrophobicContact CG1-CG 4.04Å; S1452-Q1456 PolarHBondContact O-N 3.5Å; I1453-Q1456 PolarHBondContact O-N 3.41Å; Q1456-T1458 VanDerWaalsContact C-N 3.26Å; Q1456-T1458 PolarHBondContact O-N 2.88Å; Q1456-Y1460 PolarHBondContact O-N 2.88Å; Q1456-Y1460 VanDerWaalsContact O-N 3.1Å |
| 1457 | S | 66 | Low | 64.6 | Low | 28 Ų | 28 | 64.7 Ų | 64.7 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.4 | -30.2 | 174.4 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | W1437 I1453 S1454 K1455 C1461 | W1437-S1457 WeakPolarHBondContact CZ3-OG 3.23Å; I1453-S1457 PolarHBondContact O-N 2.97Å; I1453-S1457 VanDerWaalsContact O-N 3.17Å; I1453-S1457 PolarHBondContact O-OG 3.3Å; S1454-S1457 WeakPolarHBondContact CA-OG 3.18Å; S1454-S1457 PolarHBondContact O-OG 3.05Å; S1454-S1457 VanDerWaalsContact O-OG 3.1Å; K1455-S1457 VanDerWaalsContact C-N 3.33Å; K1455-S1457 PolarHBondContact O-N 3.29Å; S1457-C1461 PolarHBondContact O-N 3.45Å; S1457-C1461 PolarHBondContact O-SG 3.41Å; S1457-C1461 VanDerWaalsContact O-SG 3.37Å |
| 1458 | T | 71.1 | Confident | 67.4 | Low | 18 Ų | 18 | 57.3 Ų | 57.3 | 11% | 0.11 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -81.3 | -42.8 | -179.1 | -55 | 0 | 0 | 0 | 0 | 111.4 | W1437 V1441 S1454 K1455 Q1456 Y1460 C1461 Q1462 | W1437-T1458 WeakPolarHBondContact O-CG2 3.41Å; V1441-T1458 HydrophobicContact CG2-CG2 3.43Å; V1441-T1458 VanDerWaalsContact CG2-CG2 3.43Å; S1454-T1458 WeakPolarHBondContact O-CB 3.34Å; S1454-T1458 PolarHBondContact O-N 3.49Å; S1454-T1458 PolarHBondContact O-OG1 3.16Å; K1455-T1458 WeakPolarHBondContact O-CA 3.44Å; K1455-T1458 WeakPolarHBondContact O-CB 3.3Å; K1455-T1458 PolarHBondContact O-N 2.95Å; Q1456-T1458 VanDerWaalsContact C-N 3.26Å; Q1456-T1458 PolarHBondContact O-N 2.88Å; T1458-Y1460 VanDerWaalsContact C-N 3.29Å; T1458-Y1460 PolarHBondContact O-N 3.19Å; T1458-C1461 WeakPolarHBondContact O-CB 3.1Å; T1458-C1461 PolarHBondContact O-N 2.93Å; T1458-C1461 VanDerWaalsContact O-N 3.11Å; T1458-Q1462 WeakPolarHBondContact O-CG 2.86Å; T1458-Q1462 PolarHBondContact O-N 2.75Å |
| 1459 | E | 78.1 | Confident | 70.1 | Confident | 96 Ų | 96 | 55 Ų | 55 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.7 | -43.4 | 171.1 | -71.4 | 164.8 | -152 | 0 | 0 | 111.4 | K1455 Q1462 Q1463 | K1455-E1459 WeakPolarHBondContact O-CG 3.15Å; K1455-E1459 PolarHBondContact O-N 2.86Å; E1459-Q1462 PolarHBondContact O-N 3.05Å; E1459-Q1463 WeakPolarHBondContact O-CG 3.44Å; E1459-Q1463 PolarHBondContact O-N 2.86Å |
| 1460 | Y | 80.9 | Confident | 72.8 | Confident | 36 Ų | 36 | 46.8 Ų | 46.8 | 14% | 0.141 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 173.4 | 170.3 | -107.4 | 0 | 0 | 0 | 112.6 | Y1314 L1318 Q1456 T1458 Q1462 Q1463 F1464 | Y1314-Y1460 AromaticContact CD1-CE1 3.81Å; Y1314-Y1460 HydrophobicContact CD1-CE1 3.81Å; Y1314-Y1460 AromaticContact CD1-CZ 3.89Å; Y1314-Y1460 HydrophobicContact CD2-CD1 4.43Å; Y1314-Y1460 HydrophobicContact CD2-CE1 4.35Å; Y1314-Y1460 HydrophobicContact CG-CD1 4.15Å; Y1314-Y1460 AromaticContact CG-CE1 3.72Å; Y1314-Y1460 HydrophobicContact CG-CE1 3.72Å; Y1314-Y1460 HydrophobicContact CG-CE2 4.42Å; Y1314-Y1460 AromaticContact CG-CZ 3.88Å; L1318-Y1460 HydrophobicContact CB-CE2 4.39Å; Q1456-Y1460 PolarHBondContact O-N 2.88Å; Q1456-Y1460 VanDerWaalsContact O-N 3.1Å; T1458-Y1460 VanDerWaalsContact C-N 3.29Å; T1458-Y1460 PolarHBondContact O-N 3.19Å; Y1460-Q1462 VanDerWaalsContact C-N 3.3Å; Y1460-Q1462 PolarHBondContact O-N 3.39Å; Y1460-Q1463 PolarHBondContact O-N 2.92Å; Y1460-F1464 HydrophobicContact CE1-CB 4.37Å; Y1460-F1464 HydrophobicContact CE2-CB 4.02Å; Y1460-F1464 VanDerWaalsContact O-CB 3.25Å; Y1460-F1464 WeakPolarHBondContact O-CB 3.08Å; Y1460-F1464 PolarHBondContact O-N 2.82Å |
| 1461 | C | 81.2 | Confident | 75.6 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 10% | 0.095 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.2 | -40.1 | 177.7 | -77.7 | 0 | 0 | 0 | 0 | 112.3 | W1437 S1457 T1458 V1465 | W1437-C1461 HydrophobicContact CB-CB 4.32Å; S1457-C1461 PolarHBondContact O-N 3.45Å; S1457-C1461 PolarHBondContact O-SG 3.41Å; S1457-C1461 VanDerWaalsContact O-SG 3.37Å; T1458-C1461 WeakPolarHBondContact O-CB 3.1Å; T1458-C1461 PolarHBondContact O-N 2.93Å; T1458-C1461 VanDerWaalsContact O-N 3.11Å; C1461-V1465 WeakPolarHBondContact O-CG2 3.44Å; C1461-V1465 PolarHBondContact O-N 2.95Å; C1461-V1465 VanDerWaalsContact O-N 3.15Å |
| 1462 | Q | 84 | Confident | 78 | Confident | 22 Ų | 22 | 41.5 Ų | 41.5 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.9 | -53 | 175.8 | -66.6 | 163.7 | -22.6 | 0 | 0 | 111.5 | L1438 V1441 T1458 E1459 Y1460 F1464 V1465 L1466 I1684 | L1438-Q1462 HydrophobicContact CD2-CB 4.3Å; L1438-Q1462 HydrophobicContact CD2-CG 3.54Å; V1441-Q1462 VanDerWaalsContact CG2-NE2 3.28Å; T1458-Q1462 WeakPolarHBondContact O-CG 2.86Å; T1458-Q1462 PolarHBondContact O-N 2.75Å; E1459-Q1462 PolarHBondContact O-N 3.05Å; Y1460-Q1462 VanDerWaalsContact C-N 3.3Å; Y1460-Q1462 PolarHBondContact O-N 3.39Å; Q1462-F1464 VanDerWaalsContact C-N 3.31Å; Q1462-F1464 PolarHBondContact O-N 3.31Å; Q1462-V1465 PolarHBondContact O-N 3.19Å; Q1462-L1466 PolarHBondContact O-N 3.3Å; Q1462-I1684 HydrophobicContact CB-CG2 4.08Å; Q1462-I1684 HydrophobicContact CG-CG2 3.85Å |
| 1463 | Q | 85.8 | Confident | 80.1 | Confident | 105 Ų | 105 | 37.8 Ų | 37.8 | 49% | 0.491 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.2 | -36.7 | -180 | -67.2 | 175.4 | 10.4 | 0 | 0 | 112.3 | L1318 E1459 Y1460 S1467 | L1318-Q1463 HydrophobicContact CD1-CB 4.43Å; L1318-Q1463 HydrophobicContact CD2-CB 3.7Å; E1459-Q1463 WeakPolarHBondContact O-CG 3.44Å; E1459-Q1463 PolarHBondContact O-N 2.86Å; Y1460-Q1463 PolarHBondContact O-N 2.92Å; Q1463-S1467 WeakPolarHBondContact O-CB 3.1Å; Q1463-S1467 PolarHBondContact O-N 2.87Å |
| 1464 | F | 88.3 | Confident | 82.3 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -46 | 175 | 170.2 | -100.2 | 0 | 0 | 0 | 112.3 | F1273 R1428 L1429 Y1460 Q1462 S1468 | F1273-F1464 HydrophobicContact CE1-CD2 4.44Å; F1273-F1464 AromaticContact CE1-CE2 3.58Å; F1273-F1464 HydrophobicContact CE1-CE2 3.58Å; F1273-F1464 HydrophobicContact CE1-CZ 4.3Å; F1273-F1464 AromaticContact CZ-CE2 3.91Å; F1273-F1464 HydrophobicContact CZ-CE2 3.91Å; R1428-F1464 HydrophobicContact CB-CE1 3.6Å; R1428-F1464 HydrophobicContact CB-CZ 3.55Å; R1428-F1464 HydrophobicContact CG-CE1 4.34Å; R1428-F1464 HydrophobicContact CG-CZ 3.95Å; L1429-F1464 HydrophobicContact CD2-CE1 4.36Å; Y1460-F1464 HydrophobicContact CE1-CB 4.37Å; Y1460-F1464 HydrophobicContact CE2-CB 4.02Å; Y1460-F1464 VanDerWaalsContact O-CB 3.25Å; Y1460-F1464 WeakPolarHBondContact O-CB 3.08Å; Y1460-F1464 PolarHBondContact O-N 2.82Å; Q1462-F1464 VanDerWaalsContact C-N 3.31Å; Q1462-F1464 PolarHBondContact O-N 3.31Å; F1464-S1468 VanDerWaalsContact CE2-OG 3.26Å; F1464-S1468 WeakPolarHBondContact CE2-OG 3.44Å; F1464-S1468 VanDerWaalsContact CZ-OG 3.28Å; F1464-S1468 WeakPolarHBondContact CZ-OG 3.39Å; F1464-S1468 VanDerWaalsContact O-CB 3.26Å; F1464-S1468 WeakPolarHBondContact O-CB 3.36Å; F1464-S1468 PolarHBondContact O-N 2.9Å; F1464-S1468 PolarHBondContact O-OG 3.04Å |
| 1465 | V | 87.4 | Confident | 83.8 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.6 | -48.6 | 178.9 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | L1429 L1438 C1461 Q1462 S1467 S1468 I1469 L1601 I1688 | L1429-V1465 HydrophobicContact CD2-CB 4.46Å; L1429-V1465 HydrophobicContact CD2-CG1 4.31Å; L1429-V1465 HydrophobicContact CD2-CG2 4.09Å; L1438-V1465 HydrophobicContact CD1-CG2 4.36Å; C1461-V1465 WeakPolarHBondContact O-CG2 3.44Å; C1461-V1465 PolarHBondContact O-N 2.95Å; C1461-V1465 VanDerWaalsContact O-N 3.15Å; Q1462-V1465 PolarHBondContact O-N 3.19Å; V1465-S1467 PolarHBondContact O-N 3.22Å; V1465-S1468 PolarHBondContact O-N 2.88Å; V1465-I1469 HydrophobicContact CG1-CD1 3.68Å; V1465-I1469 HydrophobicContact CG1-CG1 4.49Å; V1465-I1469 VanDerWaalsContact O-CG1 3.3Å; V1465-I1469 WeakPolarHBondContact O-CG1 3.12Å; V1465-I1469 PolarHBondContact O-N 2.99Å; V1465-L1601 HydrophobicContact CG1-CD2 4.46Å; V1465-I1688 HydrophobicContact CG1-CD1 4.37Å; V1465-I1688 HydrophobicContact CG1-CG1 4.38Å; V1465-I1688 HydrophobicContact CG1-CG2 4.21Å |
| 1466 | L | 90.9 | Very high | 84.9 | Confident | 35 Ų | 35 | 25.2 Ų | 25.2 | 18% | 0.183 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 178.1 | -71.2 | 170.1 | 0 | 0 | 0 | 112.5 | Q1462 S1468 I1469 A1470 E1687 I1688 N1691 | Q1462-L1466 PolarHBondContact O-N 3.3Å; L1466-S1468 PolarHBondContact O-N 3.23Å; L1466-I1469 PolarHBondContact O-N 2.98Å; L1466-A1470 WeakPolarHBondContact O-CB 3.48Å; L1466-A1470 PolarHBondContact O-N 3.01Å; L1466-E1687 HydrophobicContact CD2-CB 4.2Å; L1466-I1688 HydrophobicContact CD2-CB 4.5Å; L1466-I1688 HydrophobicContact CD2-CG1 3.73Å; L1466-I1688 HydrophobicContact CG-CG1 4.01Å; L1466-N1691 HydrophobicContact CD2-CB 4.49Å |
| 1467 | S | 90.5 | Very high | 85.9 | Confident | 7 Ų | 7 | 24.2 Ų | 24.2 | 5% | 0.049 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.1 | -37 | 176.8 | -177 | 0 | 0 | 0 | 0 | 112.5 | L1321 N1322 Q1463 V1465 A1470 F1471 | L1321-S1467 WeakPolarHBondContact CD2-OG 3.3Å; N1322-S1467 WeakPolarHBondContact OD1-CB 3.2Å; N1322-S1467 PolarHBondContact OD1-OG 3.14Å; Q1463-S1467 WeakPolarHBondContact O-CB 3.1Å; Q1463-S1467 PolarHBondContact O-N 2.87Å; V1465-S1467 PolarHBondContact O-N 3.22Å; S1467-A1470 PolarHBondContact O-N 3.38Å; S1467-F1471 WeakPolarHBondContact O-CB 3.45Å; S1467-F1471 PolarHBondContact O-N 3.25Å |
| 1468 | S | 90.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.3 | -43.5 | 175.3 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | F1464 V1465 L1466 F1471 L1472 | F1464-S1468 VanDerWaalsContact CE2-OG 3.26Å; F1464-S1468 WeakPolarHBondContact CE2-OG 3.44Å; F1464-S1468 VanDerWaalsContact CZ-OG 3.28Å; F1464-S1468 WeakPolarHBondContact CZ-OG 3.39Å; F1464-S1468 VanDerWaalsContact O-CB 3.26Å; F1464-S1468 WeakPolarHBondContact O-CB 3.36Å; F1464-S1468 PolarHBondContact O-N 2.9Å; F1464-S1468 PolarHBondContact O-OG 3.04Å; V1465-S1468 PolarHBondContact O-N 2.88Å; L1466-S1468 PolarHBondContact O-N 3.23Å; S1468-F1471 PolarHBondContact O-N 2.97Å; S1468-L1472 VanDerWaalsContact O-CG 3.3Å; S1468-L1472 WeakPolarHBondContact O-CG 3.45Å; S1468-L1472 PolarHBondContact O-N 3.31Å |
| 1469 | I | 90.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.3 | -44.4 | 174.9 | -65.4 | 162 | 0 | 0 | 0 | 110.3 | V1465 L1466 F1471 L1472 T1473 L1598 I1688 N1691 T1692 L1695 | V1465-I1469 HydrophobicContact CG1-CD1 3.68Å; V1465-I1469 HydrophobicContact CG1-CG1 4.49Å; V1465-I1469 VanDerWaalsContact O-CG1 3.3Å; V1465-I1469 WeakPolarHBondContact O-CG1 3.12Å; V1465-I1469 PolarHBondContact O-N 2.99Å; L1466-I1469 PolarHBondContact O-N 2.98Å; I1469-F1471 PolarHBondContact O-N 3.49Å; I1469-L1472 PolarHBondContact O-N 2.87Å; I1469-T1473 WeakPolarHBondContact O-CB 3.22Å; I1469-T1473 PolarHBondContact O-N 3.42Å; I1469-T1473 PolarHBondContact O-OG1 3.45Å; I1469-L1598 HydrophobicContact CD1-CD2 4.28Å; I1469-L1598 HydrophobicContact CG1-CD1 4.25Å; I1469-L1598 HydrophobicContact CG1-CD2 4.11Å; I1469-I1688 HydrophobicContact CD1-CG2 4.43Å; I1469-N1691 VanDerWaalsContact CG2-C 3.5Å; I1469-N1691 HydrophobicContact CG2-CB 3.81Å; I1469-N1691 VanDerWaalsContact CG2-O 3.23Å; I1469-N1691 WeakPolarHBondContact CG2-O 3.46Å; I1469-T1692 WeakPolarHBondContact CD1-OG1 3.14Å; I1469-L1695 HydrophobicContact CG2-CB 4.08Å; I1469-L1695 HydrophobicContact CG2-CD2 4.18Å |
| 1470 | A | 91.5 | Very high | 87.5 | Confident | 33 Ų | 33 | 18.7 Ų | 18.7 | 27% | 0.273 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -62.1 | -41 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1325 L1466 S1467 T1473 S1474 | T1325-A1470 HydrophobicContact CG2-CB 4.14Å; L1466-A1470 WeakPolarHBondContact O-CB 3.48Å; L1466-A1470 PolarHBondContact O-N 3.01Å; S1467-A1470 PolarHBondContact O-N 3.38Å; A1470-T1473 PolarHBondContact O-N 3.5Å; A1470-S1474 WeakPolarHBondContact O-CB 3.48Å; A1470-S1474 PolarHBondContact O-N 3.43Å; A1470-S1474 PolarHBondContact O-OG 2.67Å |
| 1471 | F | 94.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.2 | -53.5 | 172.8 | 170.5 | -103.8 | 0 | 0 | 0 | 111.6 | L1321 L1324 T1325 L1328 I1416 L1421 I1425 S1467 S1468 I1469 T1473 S1474 L1475 | L1321-F1471 HydrophobicContact CD1-CB 3.88Å; L1321-F1471 HydrophobicContact CD1-CD1 4.25Å; L1321-F1471 HydrophobicContact CD1-CD2 3.88Å; L1321-F1471 HydrophobicContact CD1-CG 3.71Å; L1321-F1471 HydrophobicContact CG-CB 4.29Å; L1324-F1471 HydrophobicContact CD2-CD2 4.31Å; L1324-F1471 HydrophobicContact CD2-CE2 3.54Å; L1324-F1471 HydrophobicContact CD2-CZ 4.25Å; L1324-F1471 HydrophobicContact CG-CD2 4.36Å; L1324-F1471 HydrophobicContact CG-CE2 3.87Å; T1325-F1471 VanDerWaalsContact OG1-CA 3.31Å; T1325-F1471 WeakPolarHBondContact OG1-CA 3.27Å; T1325-F1471 VanDerWaalsContact OG1-CB 3.32Å; T1325-F1471 WeakPolarHBondContact OG1-CB 3.47Å; L1328-F1471 HydrophobicContact CD1-CD2 3.99Å; L1328-F1471 HydrophobicContact CD1-CE2 3.6Å; L1328-F1471 HydrophobicContact CD1-CZ 4.47Å; I1416-F1471 HydrophobicContact CG2-CZ 3.99Å; L1421-F1471 HydrophobicContact CD2-CD1 4.35Å; L1421-F1471 HydrophobicContact CD2-CE1 3.4Å; L1421-F1471 VanDerWaalsContact CD2-CE1 3.4Å; L1421-F1471 HydrophobicContact CD2-CE2 4.45Å; L1421-F1471 HydrophobicContact CD2-CZ 3.47Å; L1421-F1471 VanDerWaalsContact CD2-CZ 3.47Å; I1425-F1471 HydrophobicContact CD1-CD1 3.68Å; I1425-F1471 HydrophobicContact CD1-CE1 3.92Å; S1467-F1471 WeakPolarHBondContact O-CB 3.45Å; S1467-F1471 PolarHBondContact O-N 3.25Å; S1468-F1471 PolarHBondContact O-N 2.97Å; I1469-F1471 PolarHBondContact O-N 3.49Å; F1471-T1473 VanDerWaalsContact C-N 3.31Å; F1471-T1473 PolarHBondContact O-N 2.97Å; F1471-S1474 PolarHBondContact O-N 3.5Å; F1471-L1475 HydrophobicContact CE1-CD2 4.32Å; F1471-L1475 HydrophobicContact CZ-CD1 4.43Å; F1471-L1475 HydrophobicContact CZ-CD2 4.36Å; F1471-L1475 WeakPolarHBondContact O-CB 3.36Å; F1471-L1475 PolarHBondContact O-N 3.1Å |
| 1472 | L | 90.6 | Very high | 86.7 | Confident | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.6 | -37.3 | -179.4 | -68.4 | 169.7 | 0 | 0 | 0 | 112 | V1422 I1425 L1429 S1468 I1469 S1474 L1475 T1476 V1595 L1695 | V1422-L1472 HydrophobicContact CG1-CD2 4.31Å; I1425-L1472 HydrophobicContact CG2-CD1 4.33Å; L1429-L1472 HydrophobicContact CD1-CD1 4.01Å; S1468-L1472 VanDerWaalsContact O-CG 3.3Å; S1468-L1472 WeakPolarHBondContact O-CG 3.45Å; S1468-L1472 PolarHBondContact O-N 3.31Å; I1469-L1472 PolarHBondContact O-N 2.87Å; L1472-S1474 VanDerWaalsContact C-N 3.35Å; L1472-L1475 PolarHBondContact O-N 3.2Å; L1472-T1476 WeakPolarHBondContact O-CB 3.47Å; L1472-T1476 PolarHBondContact O-N 3.26Å; L1472-T1476 PolarHBondContact O-OG1 2.88Å; L1472-V1595 HydrophobicContact CD1-CG1 4.25Å; L1472-L1695 HydrophobicContact CB-CD1 3.79Å; L1472-L1695 HydrophobicContact CB-CD2 3.91Å; L1472-L1695 HydrophobicContact CD1-CD2 4.18Å |
| 1473 | T | 89.6 | Confident | 85.8 | Confident | 11 Ų | 11 | 18 Ų | 18 | 7% | 0.067 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.6 | -41.9 | 177 | -53.6 | 0 | 0 | 0 | 0 | 110.5 | I1469 A1470 F1471 T1476 R1477 | I1469-T1473 WeakPolarHBondContact O-CB 3.22Å; I1469-T1473 PolarHBondContact O-N 3.42Å; I1469-T1473 PolarHBondContact O-OG1 3.45Å; A1470-T1473 PolarHBondContact O-N 3.5Å; F1471-T1473 VanDerWaalsContact C-N 3.31Å; F1471-T1473 PolarHBondContact O-N 2.97Å; T1473-T1476 PolarHBondContact O-N 2.83Å; T1473-R1477 WeakPolarHBondContact O-CB 3.41Å; T1473-R1477 WeakPolarHBondContact O-CG 3.34Å; T1473-R1477 PolarHBondContact O-N 3.17Å |
| 1474 | S | 89.5 | Confident | 84.3 | Confident | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.007 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -69 | -35.8 | 178.2 | -50.8 | 0 | 0 | 0 | 0 | 112.1 | T1325 N1329 A1470 F1471 L1472 L1478 | T1325-S1474 WeakPolarHBondContact CG2-OG 3.49Å; N1329-S1474 VanDerWaalsContact CG-OG 3.31Å; N1329-S1474 PolarHBondContact ND2-OG 2.87Å; N1329-S1474 WeakPolarHBondContact OD1-CB 3.04Å; N1329-S1474 PolarHBondContact OD1-OG 3.3Å; N1329-S1474 VanDerWaalsContact OD1-OG 3.12Å; A1470-S1474 WeakPolarHBondContact O-CB 3.48Å; A1470-S1474 PolarHBondContact O-N 3.43Å; A1470-S1474 PolarHBondContact O-OG 2.67Å; F1471-S1474 PolarHBondContact O-N 3.5Å; L1472-S1474 VanDerWaalsContact C-N 3.35Å; S1474-L1478 WeakPolarHBondContact O-CB 3.41Å; S1474-L1478 PolarHBondContact O-N 3.38Å |
| 1475 | L | 90.9 | Very high | 82.6 | Confident | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.2 | -46.4 | 173.4 | -169.3 | 73.5 | 0 | 0 | 0 | 111.6 | L1328 L1413 I1416 V1422 F1471 L1472 L1478 L1479 | L1328-L1475 HydrophobicContact CD1-CB 4.28Å; L1328-L1475 HydrophobicContact CD1-CD1 4Å; L1413-L1475 HydrophobicContact CD2-CD1 3.4Å; L1413-L1475 VanDerWaalsContact CD2-CD1 3.4Å; L1413-L1475 HydrophobicContact CD2-CG 4.26Å; I1416-L1475 HydrophobicContact CB-CD1 4.37Å; I1416-L1475 HydrophobicContact CD1-CD1 3.96Å; I1416-L1475 HydrophobicContact CG2-CD1 3.83Å; I1416-L1475 HydrophobicContact CG2-CD2 4.27Å; V1422-L1475 HydrophobicContact CG2-CD2 4.11Å; F1471-L1475 HydrophobicContact CE1-CD2 4.32Å; F1471-L1475 HydrophobicContact CZ-CD1 4.43Å; F1471-L1475 HydrophobicContact CZ-CD2 4.36Å; F1471-L1475 WeakPolarHBondContact O-CB 3.36Å; F1471-L1475 PolarHBondContact O-N 3.1Å; L1472-L1475 PolarHBondContact O-N 3.2Å; L1475-L1478 PolarHBondContact O-N 2.99Å; L1475-L1479 PolarHBondContact O-N 2.98Å |
| 1476 | T | 85.9 | Confident | 80.5 | Confident | 5 Ų | 5 | 23.9 Ų | 23.9 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.6 | -47.4 | -177.1 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | L1472 T1473 L1478 L1479 G1480 S1698 L1699 V1702 | L1472-T1476 WeakPolarHBondContact O-CB 3.47Å; L1472-T1476 PolarHBondContact O-N 3.26Å; L1472-T1476 PolarHBondContact O-OG1 2.88Å; T1473-T1476 PolarHBondContact O-N 2.83Å; T1476-L1478 PolarHBondContact O-N 2.85Å; T1476-L1479 WeakPolarHBondContact O-CA 3.33Å; T1476-L1479 WeakPolarHBondContact O-CB 3.45Å; T1476-L1479 PolarHBondContact O-N 3.42Å; T1476-G1480 PolarHBondContact O-N 3.44Å; T1476-S1698 VanDerWaalsContact CG2-O 3.28Å; T1476-S1698 WeakPolarHBondContact CG2-O 3.48Å; T1476-L1699 HydrophobicContact CG2-CB 4.37Å; T1476-L1699 HydrophobicContact CG2-CD1 3.87Å; T1476-L1699 HydrophobicContact CG2-CG 3.91Å; T1476-V1702 HydrophobicContact CG2-CG2 3.63Å; T1476-V1702 WeakPolarHBondContact O-CG2 3.45Å |
| 1477 | R | 86.6 | Confident | 78 | Confident | 87 Ų | 87 | 27.5 Ų | 27.5 | 33% | 0.328 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -58.1 | -35.4 | 176.4 | -72.1 | -172.9 | -60.5 | -156.8 | 2 | 112.7 | N1329 Y1332 T1473 L1479 G1480 I1481 | N1329-R1477 PolarHBondContact OD1-NH2 3.45Å; Y1332-R1477 HydrophobicContact CD2-CB 3.72Å; Y1332-R1477 HydrophobicContact CE2-CB 3.68Å; T1473-R1477 WeakPolarHBondContact O-CB 3.41Å; T1473-R1477 WeakPolarHBondContact O-CG 3.34Å; T1473-R1477 PolarHBondContact O-N 3.17Å; R1477-L1479 VanDerWaalsContact C-N 3.3Å; R1477-L1479 PolarHBondContact O-N 3.03Å; R1477-G1480 PolarHBondContact O-N 3.32Å; R1477-I1481 PolarHBondContact O-N 3.48Å |
| 1478 | L | 86.3 | Confident | 75.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -72.9 | -22 | 176.9 | -160.8 | 63 | 0 | 0 | 0 | 113.2 | L1328 F1331 L1409 L1413 S1474 L1475 T1476 | L1328-L1478 HydrophobicContact CB-CD2 4.42Å; L1328-L1478 HydrophobicContact CD2-CD2 3.68Å; F1331-L1478 HydrophobicContact CB-CD1 3.9Å; F1331-L1478 HydrophobicContact CB-CD2 4.01Å; F1331-L1478 HydrophobicContact CD2-CD2 4.18Å; L1409-L1478 HydrophobicContact CD1-CD1 4.31Å; L1409-L1478 HydrophobicContact CD1-CD2 3.95Å; L1409-L1478 HydrophobicContact CD1-CG 4.26Å; L1409-L1478 HydrophobicContact CD2-CD1 3.93Å; L1409-L1478 HydrophobicContact CD2-CG 4.13Å; L1409-L1478 HydrophobicContact CG-CD1 4.49Å; L1409-L1478 HydrophobicContact CG-CD2 4.43Å; L1409-L1478 HydrophobicContact CG-CG 4.3Å; L1413-L1478 HydrophobicContact CD1-CB 4.49Å; L1413-L1478 HydrophobicContact CD1-CD2 4.32Å; L1413-L1478 HydrophobicContact CD1-CG 4.13Å; L1413-L1478 HydrophobicContact CD2-CD2 4.22Å; S1474-L1478 WeakPolarHBondContact O-CB 3.41Å; S1474-L1478 PolarHBondContact O-N 3.38Å; L1475-L1478 PolarHBondContact O-N 2.99Å; T1476-L1478 PolarHBondContact O-N 2.85Å |
| 1479 | L | 83.8 | Confident | 72.8 | Confident | 14 Ų | 14 | 37.3 Ų | 37.3 | 7% | 0.073 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -79.5 | -36.9 | 171.2 | -73 | 164.2 | 0 | 0 | 0 | 112.3 | L1413 L1475 T1476 R1477 I1481 L1482 S1483 L1586 I1590 | L1413-L1479 HydrophobicContact CB-CD2 4.08Å; L1413-L1479 HydrophobicContact CD1-CD2 3.8Å; L1413-L1479 HydrophobicContact CD1-CG 4.18Å; L1413-L1479 HydrophobicContact CD2-CD2 4.48Å; L1413-L1479 HydrophobicContact CD2-CG 4.35Å; L1413-L1479 HydrophobicContact CG-CD2 4.34Å; L1475-L1479 PolarHBondContact O-N 2.98Å; T1476-L1479 WeakPolarHBondContact O-CA 3.33Å; T1476-L1479 WeakPolarHBondContact O-CB 3.45Å; T1476-L1479 PolarHBondContact O-N 3.42Å; R1477-L1479 VanDerWaalsContact C-N 3.3Å; R1477-L1479 PolarHBondContact O-N 3.03Å; L1479-I1481 PolarHBondContact O-N 3.38Å; L1479-L1482 PolarHBondContact O-N 2.82Å; L1479-S1483 PolarHBondContact O-N 3Å; L1479-L1586 HydrophobicContact CD1-CD2 4.13Å; L1479-L1586 HydrophobicContact CD2-CD2 3.46Å; L1479-L1586 VanDerWaalsContact CD2-CD2 3.46Å; L1479-L1586 HydrophobicContact CG-CD2 4.44Å; L1479-I1590 HydrophobicContact CD1-CD1 3.55Å |
| 1480 | G | 77.7 | Confident | 70.2 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 12% | 0.124 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.7 | -48.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1476 R1477 L1482 S1483 M1484 | T1476-G1480 PolarHBondContact O-N 3.44Å; R1477-G1480 PolarHBondContact O-N 3.32Å; G1480-L1482 PolarHBondContact O-N 2.96Å; G1480-S1483 PolarHBondContact O-N 3.41Å; G1480-S1483 VanDerWaalsContact O-N 3.12Å; G1480-M1484 WeakPolarHBondContact O-CG 3.47Å; G1480-M1484 PolarHBondContact O-N 3.27Å |
| 1481 | I | 74.9 | Confident | 67.4 | Low | 26 Ų | 26 | 45.4 Ų | 45.4 | 13% | 0.133 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -54.3 | -38.7 | 175 | -69.4 | -177.4 | 0 | 0 | 0 | 112.2 | Y1332 N1335 R1477 L1479 K1485 | Y1332-I1481 HydrophobicContact CD2-CD1 3.43Å; Y1332-I1481 VanDerWaalsContact CD2-CD1 3.43Å; Y1332-I1481 HydrophobicContact CD2-CG1 4.17Å; Y1332-I1481 HydrophobicContact CE2-CD1 3.52Å; Y1332-I1481 HydrophobicContact CE2-CG1 3.95Å; Y1332-I1481 HydrophobicContact CG-CD1 4.22Å; N1335-I1481 HydrophobicContact CB-CD1 4.06Å; N1335-I1481 HydrophobicContact CB-CG2 4.03Å; R1477-I1481 PolarHBondContact O-N 3.48Å; L1479-I1481 PolarHBondContact O-N 3.38Å; I1481-K1485 WeakPolarHBondContact O-CB 3.28Å; I1481-K1485 PolarHBondContact O-N 3.41Å |
| 1482 | L | 71.8 | Confident | 64.3 | Low | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -79.1 | -28.9 | -179.2 | -70.9 | 173.9 | 0 | 0 | 0 | 113.3 | S1406 L1409 Q1410 L1413 L1479 G1480 | S1406-L1482 VanDerWaalsContact OG-CD2 3.24Å; S1406-L1482 WeakPolarHBondContact OG-CD2 3.45Å; L1409-L1482 HydrophobicContact CB-CD1 4.26Å; L1409-L1482 HydrophobicContact CB-CD2 4.47Å; L1409-L1482 HydrophobicContact CD2-CD1 4.12Å; L1409-L1482 HydrophobicContact CD2-CD2 4.12Å; L1409-L1482 HydrophobicContact CD2-CG 4.15Å; L1409-L1482 HydrophobicContact CG-CD1 4.13Å; Q1410-L1482 HydrophobicContact CG-CD1 3.89Å; Q1410-L1482 HydrophobicContact CG-CD2 4.06Å; L1413-L1482 HydrophobicContact CD1-CD1 3.43Å; L1413-L1482 VanDerWaalsContact CD1-CD1 3.43Å; L1479-L1482 PolarHBondContact O-N 2.82Å; G1480-L1482 PolarHBondContact O-N 2.96Å |
| 1483 | S | 64.7 | Low | 61.2 | Low | 22 Ų | 22 | 59.3 Ų | 59.3 | 15% | 0.154 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.8 | -53.6 | 174.3 | -155.7 | 0 | 0 | 0 | 0 | 110.6 | L1479 G1480 K1485 Q1486 M1487 | L1479-S1483 PolarHBondContact O-N 3Å; G1480-S1483 PolarHBondContact O-N 3.41Å; G1480-S1483 VanDerWaalsContact O-N 3.12Å; S1483-K1485 VanDerWaalsContact C-N 3.25Å; S1483-K1485 PolarHBondContact O-N 3.29Å; S1483-Q1486 PolarHBondContact O-N 3.27Å; S1483-M1487 PolarHBondContact O-N 3.39Å |
| 1484 | M | 53.2 | Low | 58.4 | Low | 94 Ų | 94 | 64.8 Ų | 64.8 | 46% | 0.463 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.1 | -36.9 | 178.9 | -68.5 | -68 | 99.5 | 0 | 0 | 112.9 | G1480 Q1486 M1487 N1488 | G1480-M1484 WeakPolarHBondContact O-CG 3.47Å; G1480-M1484 PolarHBondContact O-N 3.27Å; M1484-Q1486 VanDerWaalsContact C-N 3.26Å; M1484-Q1486 PolarHBondContact O-N 2.83Å; M1484-M1487 HydrophobicContact CE-SD 3.65Å; M1484-N1488 PolarHBondContact O-N 3.09Å |
| 1485 | K | 52.7 | Low | 55.1 | Low | 82 Ų | 82 | 73.3 Ų | 73.3 | 36% | 0.357 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.1 | -29 | 178.2 | -172.6 | 158 | -171 | 158.4 | 0 | 113.4 | I1481 S1483 D1489 | I1481-K1485 WeakPolarHBondContact O-CB 3.28Å; I1481-K1485 PolarHBondContact O-N 3.41Å; S1483-K1485 VanDerWaalsContact C-N 3.25Å; S1483-K1485 PolarHBondContact O-N 3.29Å; K1485-D1489 PolarHBondContact O-N 2.87Å |
| 1486 | Q | 43 | Very low | 51.9 | Low | 58 Ų | 58 | 82.3 Ų | 82.3 | 27% | 0.271 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -79.1 | -39.3 | -178.7 | -163.5 | 168.7 | -33.6 | 0 | 0 | 111.6 | S1483 M1484 N1488 D1489 D1490 K1581 | S1483-Q1486 PolarHBondContact O-N 3.27Å; M1484-Q1486 VanDerWaalsContact C-N 3.26Å; M1484-Q1486 PolarHBondContact O-N 2.83Å; Q1486-N1488 VanDerWaalsContact C-N 3.33Å; Q1486-N1488 PolarHBondContact O-N 2.66Å; Q1486-D1489 PolarHBondContact O-N 2.85Å; Q1486-D1490 PolarHBondContact O-N 3.38Å; Q1486-D1490 VanDerWaalsContact O-N 3.14Å; Q1486-K1581 PolarHBondContact NE2-O 3.08Å |
| 1487 | M | 38.5 | Very low | 48.9 | Very low | 111 Ų | 111 | 93.4 Ų | 93.4 | 55% | 0.547 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.2 | -43.4 | 175.3 | -64.7 | 179.1 | 68.8 | 0 | 0 | 112.1 | S1483 M1484 D1489 D1490 S1491 | S1483-M1487 PolarHBondContact O-N 3.39Å; M1484-M1487 HydrophobicContact CE-SD 3.65Å; M1487-D1489 PolarHBondContact O-N 3.11Å; M1487-D1490 PolarHBondContact O-N 2.83Å; M1487-S1491 PolarHBondContact O-N 3.45Å; M1487-S1491 PolarHBondContact O-OG 3.17Å |
| 1488 | N | 37.6 | Very low | 45.8 | Very low | 106 Ų | 106 | 98 Ų | 98 | 57% | 0.567 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.4 | -28.9 | 179.5 | -68.7 | 0 | 0 | 0 | 0 | 113.8 | M1484 Q1486 | M1484-N1488 PolarHBondContact O-N 3.09Å; Q1486-N1488 VanDerWaalsContact C-N 3.33Å; Q1486-N1488 PolarHBondContact O-N 2.66Å |
| 1489 | D | 36.1 | Very low | 42.8 | Very low | 108 Ų | 108 | 105.9 Ų | 105.9 | 58% | 0.578 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -74.1 | -31.7 | 175.2 | -77.6 | -18.9 | 0 | 0 | 0 | 111.1 | K1485 Q1486 M1487 | K1485-D1489 PolarHBondContact O-N 2.87Å; Q1486-D1489 PolarHBondContact O-N 2.85Å; M1487-D1489 PolarHBondContact O-N 3.11Å |
| 1490 | D | 34.9 | Very low | 39.8 | Very low | 111 Ų | 111 | 113 Ų | 113 | 59% | 0.594 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -77 | -36.5 | 174.5 | -71.9 | -39.4 | 0 | 0 | 0 | 112.2 | Q1486 M1487 L1492 N1493 | Q1486-D1490 PolarHBondContact O-N 3.38Å; Q1486-D1490 VanDerWaalsContact O-N 3.14Å; M1487-D1490 PolarHBondContact O-N 2.83Å; D1490-L1492 VanDerWaalsContact C-N 3.29Å; D1490-L1492 PolarHBondContact O-N 2.92Å; D1490-N1493 PolarHBondContact O-N 2.9Å |
| 1491 | S | 32 | Very low | 37.1 | Very low | 92 Ų | 92 | 118.7 Ų | 118.7 | 64% | 0.643 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.9 | -20 | 177.7 | -64.8 | 0 | 0 | 0 | 0 | 115 | M1487 N1493 | M1487-S1491 PolarHBondContact O-N 3.45Å; M1487-S1491 PolarHBondContact O-OG 3.17Å; S1491-N1493 VanDerWaalsContact C-N 3.29Å; S1491-N1493 PolarHBondContact O-N 3.42Å |
| 1492 | L | 30.1 | Very low | 34.6 | Very low | 155 Ų | 155 | 122.6 Ų | 122.6 | 81% | 0.812 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 15.2 | 178.3 | -75.3 | 175.1 | 0 | 0 | 0 | 113.9 | D1490 | D1490-L1492 VanDerWaalsContact C-N 3.29Å; D1490-L1492 PolarHBondContact O-N 2.92Å |
| 1493 | N | 25.8 | Very low | 32.2 | Very low | 141 Ų | 141 | 130 Ų | 130 | 75% | 0.754 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.1 | 20.1 | -173.8 | -153.9 | 32.7 | 0 | 0 | 0 | 114 | D1490 S1491 | D1490-N1493 PolarHBondContact O-N 2.9Å; S1491-N1493 VanDerWaalsContact C-N 3.29Å; S1491-N1493 PolarHBondContact O-N 3.42Å |
| 1494 | V | 29.2 | Very low | 30.1 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 76% | 0.764 | 69% | 0.694 | S | S | * | * | trans | -141.4 | 78.8 | 169.8 | -168.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1495 | E | 20.3 | Very low | 28.6 | Very low | 180 Ų | 180 | 137.1 Ų | 137.1 | 84% | 0.841 | 71% | 0.709 | S | S | * | * | trans | -108.4 | 152.9 | 155.9 | -74.5 | -173.8 | 137.5 | 0 | 0 | 109 | ||||
| 1496 | H | 25.4 | Very low | 27.2 | Very low | 190 Ų | 190 | 136.6 Ų | 136.6 | 88% | 0.88 | 73% | 0.728 | S | S | * | * | trans | 61 | 81.8 | -175 | -59.2 | -79.4 | 0 | 0 | 0 | 117.3 | ||||
| 1497 | R | 22.4 | Very low | 26.2 | Very low | 238 Ų | 238 | 139.8 Ų | 139.8 | 90% | 0.898 | 75% | 0.751 | S | S | * | * | -155.2 | 122 | 106.4 | -147.5 | 168.5 | -175.2 | 157.1 | 1.5 | 111 | |||||
| 1498 | H | 20.9 | Very low | 25.3 | Very low | 185 Ų | 185 | 141.3 Ų | 141.3 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | -78.9 | 130 | 163.8 | -76.4 | -62.8 | 0 | 0 | 0 | 109.2 | ||||
| 1499 | Q | 23.6 | Very low | 24.7 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | -168.3 | 128.6 | 129 | -106.4 | 158.2 | -6.2 | 0 | 0 | 111.7 | |||||
| 1500 | Q | 21.3 | Very low | 24 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | 33.8 | 117.8 | 143.4 | -77.2 | 160.5 | -22.9 | 0 | 0 | 120.6 | ||||
| 1501 | T | 21.1 | Very low | 23.2 | Very low | 130 Ų | 130 | 142 Ų | 142 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | 27.9 | 128.8 | 123.8 | 58.5 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 1502 | S | 21.5 | Very low | 22.7 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | cis | -160.3 | 147.7 | 35.5 | 51.5 | 0 | 0 | 0 | 0 | 113.4 | S1504 | S1502-S1504 PolarHBondContact O-N 3.06Š| ||
| 1503 | N | 21.5 | Very low | 22.4 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -79.6 | 114 | 173.8 | -68.9 | -22.6 | 0 | 0 | 0 | 111.7 | ||||
| 1504 | S | 21.1 | Very low | 22.1 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -109.5 | 100.8 | 157.1 | 61.9 | 0 | 0 | 0 | 0 | 109.4 | S1502 G1506 | S1502-S1504 PolarHBondContact O-N 3.06Å; S1504-G1506 PolarHBondContact O-N 3.14Å | ||
| 1505 | I | 22 | Very low | 21.7 | Very low | 154 Ų | 154 | 141 Ų | 141 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -74.6 | 97.1 | -178.9 | -63.4 | 174.3 | 0 | 0 | 0 | 109.4 | ||||
| 1506 | G | 22.8 | Very low | 21.8 | Very low | 72 Ų | 72 | 141.9 Ų | 141.9 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | -76.1 | 129.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | S1504 | S1504-G1506 PolarHBondContact O-N 3.14Š| ||
| 1507 | T | 22.1 | Very low | 21.6 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 77% | 0.767 | 79% | 0.791 | S | S | * | * | trans | -78.2 | 146.8 | -169.2 | 40.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1508 | T | 20.7 | Very low | 21.4 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -76.9 | 112.7 | 163.3 | 50.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1509 | S | 23.1 | Very low | 21.5 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -167.3 | 67.7 | 154.5 | 62.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1510 | S | 21.4 | Very low | 21.5 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -142.9 | 34.3 | 156.7 | 59.9 | 0 | 0 | 0 | 0 | 112.6 | S1512 | S1510-S1512 PolarHBondContact O-N 2.9Š| ||
| 1511 | C | 19 | Very low | 21.6 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -61.1 | 90.4 | 157.4 | 50 | 0 | 0 | 0 | 0 | 108.9 | S1513 | C1511-S1513 PolarHBondContact O-N 2.9Š| ||
| 1512 | S | 22.6 | Very low | 21.7 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -69.4 | 110.9 | -175.1 | 28.4 | 0 | 0 | 0 | 0 | 110.7 | S1510 I1514 | S1510-S1512 PolarHBondContact O-N 2.9Å; S1512-I1514 PolarHBondContact O-N 2.85Å | ||
| 1513 | S | 22.1 | Very low | 21.9 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -55.8 | 124.3 | 174.6 | -66.4 | 0 | 0 | 0 | 0 | 110.6 | C1511 S1515 | C1511-S1513 PolarHBondContact O-N 2.9Å; S1513-S1515 PolarHBondContact O-N 3.41Å | ||
| 1514 | I | 20 | Very low | 22 | Very low | 166 Ų | 166 | 129.2 Ų | 129.2 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | -70.7 | 96.9 | 179.1 | -62 | 170.5 | 0 | 0 | 0 | 108.8 | S1512 | S1512-I1514 PolarHBondContact O-N 2.85Š| ||
| 1515 | S | 21.9 | Very low | 22.2 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -128.4 | 64.6 | 173.8 | -68.2 | 0 | 0 | 0 | 0 | 111.7 | S1513 | S1513-S1515 PolarHBondContact O-N 3.41Š| ||
| 1516 | K | 21.4 | Very low | 22.2 | Very low | 198 Ų | 198 | 128.4 Ų | 128.4 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | -75.7 | 138.6 | 139.6 | -65.9 | -177.8 | 179.4 | -175.4 | 0 | 106.3 | ||||
| 1517 | S | 20.4 | Very low | 22.3 | Very low | 86 Ų | 86 | 130.7 Ų | 130.7 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | cis | -164.4 | 157.5 | -1.9 | 38.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1518 | F | 20 | Very low | 22.2 | Very low | 202 Ų | 202 | 132.5 Ų | 132.5 | 89% | 0.886 | 76% | 0.763 | S | S | * | * | trans | -140.1 | 147.8 | 159.2 | -147.7 | -96.8 | 0 | 0 | 0 | 109.7 | ||||
| 1519 | I | 21.3 | Very low | 22.3 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 52% | 0.523 | 75% | 0.754 | S | S | . | * | trans | -90.5 | 143.4 | -164.4 | -63.9 | 174.1 | 0 | 0 | 0 | 111.5 | E1082 V1521 | E1082-I1519 WeakPolarHBondContact OE1-CD1 3.34Å; I1519-V1521 HydrophobicContact CG2-CG2 4.14Å | ||
| 1520 | I | 25 | Very low | 22.4 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 86% | 0.862 | 75% | 0.751 | S | S | * | * | trans | -124.1 | 145.5 | 157.7 | -63.9 | -178.3 | 0 | 0 | 0 | 107.4 | ||||
| 1521 | V | 24 | Very low | 22.4 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 67% | 0.673 | 75% | 0.748 | S | S | * | * | trans | -105.7 | 144.7 | -164.6 | 171.4 | 0 | 0 | 0 | 0 | 112.5 | I1519 | I1519-V1521 HydrophobicContact CG2-CG2 4.14Š| ||
| 1522 | D | 22.3 | Very low | 22.6 | Very low | 140 Ų | 140 | 133.1 Ų | 133.1 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | -2.9 | 152.3 | 161.5 | -54.7 | -37.1 | 0 | 0 | 0 | 122.8 | ||||
| 1523 | S | 25.2 | Very low | 22.9 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | trans | 72.4 | 113.8 | 146.9 | -63.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1524 | I | 23.2 | Very low | 23.1 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | 85 | 128.4 | 65.9 | -71.7 | 161.8 | 0 | 0 | 0 | 112 | |||||
| 1525 | G | 24.9 | Very low | 23.5 | Very low | 67 Ų | 67 | 138.5 Ų | 138.5 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | trans | 98.8 | 134.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1526 | E | 24 | Very low | 23.7 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 86% | 0.855 | 73% | 0.733 | S | S | * | * | cis | -156.1 | 143.3 | -7.7 | -139.1 | 172.5 | -130.9 | 0 | 0 | 109.8 | ||||
| 1527 | D | 23.3 | Very low | 23.9 | Very low | 120 Ų | 120 | 136 Ų | 136 | 64% | 0.642 | 73% | 0.728 | S | S | * | * | trans | 50 | 149.6 | 139.9 | -93.3 | 28.7 | 0 | 0 | 0 | 125.4 | ||||
| 1528 | Q | 21.5 | Very low | 24.2 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | trans | 69.3 | 147.1 | 146.5 | -73.1 | 165.7 | 69.2 | 0 | 0 | 119 | ||||
| 1529 | V | 22.4 | Very low | 24.5 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 70% | 0.697 | 72% | 0.717 | S | S | * | * | cis | -164.7 | -168.6 | -30.3 | 93.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1530 | T | 25.3 | Very low | 24.7 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | trans | 67.2 | 146.2 | 172.6 | 66.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1531 | E | 20.9 | Very low | 24.6 | Very low | 155 Ų | 155 | 131.3 Ų | 131.3 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | cis | -157.2 | 163.3 | -31.1 | -117.5 | 165.7 | 150.8 | 0 | 0 | 108.8 | ||||
| 1532 | I | 23.5 | Very low | 24.7 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 60% | 0.6 | 72% | 0.722 | S | S | * | * | trans | 13.1 | 122.3 | 139.9 | -53.3 | 157.1 | 0 | 0 | 0 | 116.5 | ||||
| 1533 | D | 29.1 | Very low | 24.9 | Very low | 162 Ų | 162 | 131.7 Ų | 131.7 | 87% | 0.866 | 72% | 0.723 | S | S | * | * | -154.3 | 146.6 | 113.9 | -105.7 | -28.5 | 0 | 0 | 0 | 112.2 | |||||
| 1534 | E | 25.2 | Very low | 24.9 | Very low | 167 Ų | 167 | 132 Ų | 132 | 78% | 0.78 | 72% | 0.721 | S | S | * | * | trans | -88.4 | 160 | -167.7 | -54 | 174.4 | 144.3 | 0 | 0 | 111.6 | ||||
| 1535 | E | 28.6 | Very low | 24.9 | Very low | 165 Ų | 165 | 130.8 Ų | 130.8 | 77% | 0.771 | 72% | 0.716 | S | S | * | * | -178.2 | 132.8 | 113.8 | -97 | -158.1 | 132.5 | 0 | 0 | 113.8 | |||||
| 1536 | N | 26.6 | Very low | 25 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 63% | 0.626 | 73% | 0.725 | S | S | * | * | trans | 63.7 | 112.1 | 136 | -57.4 | -18.5 | 0 | 0 | 0 | 122.7 | ||||
| 1537 | D | 25.3 | Very low | 24.9 | Very low | 140 Ų | 140 | 132 Ų | 132 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | 63.4 | 136.4 | 121.1 | -83.5 | -13.2 | 0 | 0 | 0 | 121.8 | |||||
| 1538 | S | 25.9 | Very low | 25.1 | Very low | 77 Ų | 77 | 136.3 Ų | 136.3 | 54% | 0.538 | 74% | 0.735 | S | S | . | * | cis | -173.8 | 166.4 | 3.3 | 49.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1539 | K | 27.4 | Very low | 25.1 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 73% | 0.726 | 74% | 0.74 | S | S | * | * | trans | 73.2 | 94 | 143.3 | -74.9 | 153.4 | -160.9 | 144.2 | 0 | 121.9 | ||||
| 1540 | S | 24.9 | Very low | 25.4 | Very low | 100 Ų | 100 | 142.9 Ų | 142.9 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | 92.9 | 158.2 | 102.4 | 73.9 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1541 | C | 24.1 | Very low | 25.2 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | trans | 68.2 | 97 | 172.1 | -63.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1542 | V | 25.9 | Very low | 25.5 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | cis | 81.7 | 100.9 | 25.8 | -170.3 | 0 | 0 | 0 | 0 | 115.6 | V1544 | V1542-V1544 HydrophobicContact CG1-CG2 4.37Š| ||
| 1543 | N | 25.4 | Very low | 25.6 | Very low | 145 Ų | 145 | 145 Ų | 145 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | -173.2 | 100.5 | 117.6 | -97.8 | -41.9 | 0 | 0 | 0 | 116.6 | |||||
| 1544 | V | 24.7 | Very low | 25.3 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | 54.7 | 108.4 | 105.5 | 178.1 | 0 | 0 | 0 | 0 | 120.3 | V1542 | V1542-V1544 HydrophobicContact CG1-CG2 4.37Š| |||
| 1545 | L | 23.7 | Very low | 25.2 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | trans | 55.5 | 134.4 | 137.7 | -55.8 | 175 | 0 | 0 | 0 | 122 | ||||
| 1546 | T | 26.4 | Very low | 25.1 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 90% | 0.896 | 75% | 0.752 | S | S | * | * | -169.9 | 142.6 | 95.9 | 22.1 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 1547 | V | 22.6 | Very low | 25 | Very low | 128 Ų | 128 | 141.4 Ų | 141.4 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | -71.3 | 144.8 | -179.5 | 173 | 0 | 0 | 0 | 0 | 114 | ||||
| 1548 | K | 28.3 | Very low | 25.2 | Very low | 211 Ų | 211 | 139.6 Ų | 139.6 | 92% | 0.917 | 76% | 0.757 | S | S | * | * | trans | -151.8 | 157.8 | 146 | -122 | 168.4 | -173.4 | 173.9 | 0 | 115 | ||||
| 1549 | R | 21.8 | Very low | 25.1 | Very low | 228 Ų | 228 | 143 Ų | 143 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -97.1 | 144.5 | -172 | -61.6 | 164.7 | 165.9 | 162.2 | -8.4 | 112.5 | ||||
| 1550 | Q | 26.9 | Very low | 24.9 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | 172.6 | 117.4 | 128 | -93.6 | 154.6 | -10.9 | 0 | 0 | 107.1 | |||||
| 1551 | N | 21.5 | Very low | 24.8 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | 67.8 | 96.8 | 55.8 | -174.1 | 61.6 | 0 | 0 | 0 | 114.4 | |||||
| 1552 | I | 27.6 | Very low | 24.7 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | -178.7 | 142.3 | 144.2 | -95.3 | 150.9 | 0 | 0 | 0 | 108.8 | ||||
| 1553 | N | 25.8 | Very low | 24.5 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | 40 | 97.7 | 165.9 | -58.4 | -2.9 | 0 | 0 | 0 | 118.6 | ||||
| 1554 | S | 22.8 | Very low | 24.4 | Very low | 101 Ų | 101 | 144 Ų | 144 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | 83.4 | 103.1 | 69.9 | 72.7 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1555 | S | 22.7 | Very low | 24.2 | Very low | 99 Ų | 99 | 144.1 Ų | 144.1 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | 49.7 | 98.9 | 149.5 | 61.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1556 | H | 25.9 | Very low | 24.1 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | -169.3 | 116 | 84.4 | -106.2 | -75.5 | 0 | 0 | 0 | 113.7 | |||||
| 1557 | D | 25.3 | Very low | 23.9 | Very low | 153 Ų | 153 | 145.2 Ų | 145.2 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -75.7 | 164.4 | 166.2 | -81.2 | -47.1 | 0 | 0 | 0 | 111.6 | ||||
| 1558 | P | 29.9 | Very low | 23.9 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | -129.9 | 174.4 | -72.6 | 25.3 | -2.6 | 0 | 0 | 0 | 112.2 | T1560 | P1558-T1560 PolarHBondContact O-N 2.79Š| |||
| 1559 | T | 22.9 | Very low | 23.6 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 91% | 0.914 | 77% | 0.773 | S | S | * | * | trans | -76.9 | 80.7 | 179.3 | 46.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1560 | T | 23.6 | Very low | 23.5 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | trans | -90.7 | 102.3 | 166.7 | -60 | 0 | 0 | 0 | 0 | 111.6 | P1558 | P1558-T1560 PolarHBondContact O-N 2.79Š| ||
| 1561 | I | 22.4 | Very low | 23.3 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | 29.4 | 103.7 | 140.6 | -48.1 | 172.6 | 0 | 0 | 0 | 116.2 | ||||
| 1562 | T | 22.7 | Very low | 23.4 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -127.4 | 113.7 | 156.1 | 40.4 | 0 | 0 | 0 | 0 | 111.5 | T1564 | T1562-T1564 PolarHBondContact O-N 3.49Å; T1562-T1564 VanDerWaalsContact O-N 3.16Å | ||
| 1563 | N | 20.8 | Very low | 23.2 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | -62.8 | 112.7 | -179.2 | -76.6 | -31.2 | 0 | 0 | 0 | 111.6 | S1565 | N1563-S1565 PolarHBondContact O-N 2.69Š| ||
| 1564 | T | 23.2 | Very low | 23.1 | Very low | 140 Ų | 140 | 137 Ų | 137 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | -84.1 | 54.7 | 178.2 | -12.8 | 0 | 0 | 0 | 0 | 112.1 | T1562 V1566 | T1562-T1564 PolarHBondContact O-N 3.49Å; T1562-T1564 VanDerWaalsContact O-N 3.16Å; T1564-V1566 VanDerWaalsContact C-N 3.32Å; T1564-V1566 PolarHBondContact O-N 3.48Å | ||
| 1565 | S | 21.2 | Very low | 23.2 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -74.5 | 83.8 | 176.3 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | N1563 K1567 | N1563-S1565 PolarHBondContact O-N 2.69Å; S1565-K1567 PolarHBondContact O-N 2.69Å | ||
| 1566 | V | 22.7 | Very low | 23.3 | Very low | 119 Ų | 119 | 140 Ų | 140 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | trans | 21.8 | 89.3 | 148.2 | -170 | 0 | 0 | 0 | 0 | 115.4 | T1564 V1568 | T1564-V1566 VanDerWaalsContact C-N 3.32Å; T1564-V1566 PolarHBondContact O-N 3.48Å; V1566-V1568 HydrophobicContact CG1-CG2 3.92Å; V1566-V1568 PolarHBondContact O-N 2.7Å | ||
| 1567 | K | 20.5 | Very low | 23.4 | Very low | 195 Ų | 195 | 141 Ų | 141 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -69.6 | 93.7 | 162.6 | -167.3 | 171.5 | -169.6 | 167.8 | 0 | 109 | S1565 N1569 | S1565-K1567 PolarHBondContact O-N 2.69Å; K1567-N1569 PolarHBondContact O-N 3.42Å | ||
| 1568 | V | 22.6 | Very low | 23.5 | Very low | 117 Ų | 117 | 142 Ų | 142 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | trans | -61.8 | 107.2 | 179.9 | 178.6 | 0 | 0 | 0 | 0 | 110 | V1566 S1570 | V1566-V1568 HydrophobicContact CG1-CG2 3.92Å; V1566-V1568 PolarHBondContact O-N 2.7Å; V1568-S1570 PolarHBondContact O-N 3.31Å | ||
| 1569 | N | 22 | Very low | 23.4 | Very low | 148 Ų | 148 | 142.2 Ų | 142.2 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -66.4 | 104.1 | 174.6 | -92.7 | -14.8 | 0 | 0 | 0 | 110.7 | K1567 S1571 | K1567-N1569 PolarHBondContact O-N 3.42Å; N1569-S1571 PolarHBondContact O-N 3.35Å | ||
| 1570 | S | 20.4 | Very low | 24.2 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -78.8 | 63.6 | 172.2 | 50 | 0 | 0 | 0 | 0 | 111.8 | V1568 | V1568-S1570 PolarHBondContact O-N 3.31Š| ||
| 1571 | S | 22.8 | Very low | 25 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -158.2 | 93.6 | 167.7 | -81 | 0 | 0 | 0 | 0 | 112.4 | N1569 | N1569-S1571 PolarHBondContact O-N 3.35Š| ||
| 1572 | D | 24.4 | Very low | 26 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 88% | 0.882 | 74% | 0.743 | S | S | * | * | -156.2 | 154.8 | 123.6 | -129.4 | -30.1 | 0 | 0 | 0 | 113.3 | |||||
| 1573 | K | 22.6 | Very low | 26.9 | Very low | 197 Ų | 197 | 132.9 Ų | 132.9 | 86% | 0.857 | 71% | 0.713 | S | S | * | * | trans | -103.4 | 107.8 | 177 | -66 | 167.7 | -174.7 | 158.9 | 0 | 109.7 | ||||
| 1574 | L | 24.8 | Very low | 28.3 | Very low | 160 Ų | 160 | 128.3 Ų | 128.3 | 84% | 0.838 | 69% | 0.691 | S | S | * | * | trans | -145.8 | 150.4 | 162.4 | -106 | 167.5 | 0 | 0 | 0 | 112.6 | S1576 | L1574-S1576 PolarHBondContact O-N 3.31Š| ||
| 1575 | N | 23.7 | Very low | 29.9 | Very low | 165 Ų | 165 | 125.8 Ų | 125.8 | 88% | 0.882 | 67% | 0.669 | S | S | * | * | trans | -68.5 | 116.5 | -162.2 | -64 | -45.3 | 0 | 0 | 0 | 113.8 | ||||
| 1576 | S | 26 | Very low | 31.6 | Very low | 98 Ų | 98 | 121 Ų | 121 | 69% | 0.685 | 64% | 0.635 | S | S | * | * | trans | -109.4 | 140.1 | 155 | 62.2 | 0 | 0 | 0 | 0 | 110.5 | L1574 K1578 | L1574-S1576 PolarHBondContact O-N 3.31Å; S1576-K1578 PolarHBondContact O-N 3.18Å; S1576-K1578 VanDerWaalsContact O-N 3.1Å | ||
| 1577 | K | 27.6 | Very low | 33.4 | Very low | 203 Ų | 203 | 115.8 Ų | 115.8 | 88% | 0.883 | 60% | 0.603 | S | S | * | * | trans | -64.8 | 109.7 | 172.3 | -77.8 | 178.4 | 176.1 | 176.1 | 0 | 108.2 | T1579 | K1577-T1579 VanDerWaalsContact C-N 3.3Å; K1577-T1579 PolarHBondContact O-N 3.4Å | ||
| 1578 | K | 26.8 | Very low | 35.4 | Very low | 174 Ų | 174 | 112.5 Ų | 112.5 | 76% | 0.757 | 59% | 0.591 | S | S | * | * | trans | -74.3 | 85.1 | 168.8 | -70.6 | -157.4 | 173.4 | -154.4 | 0 | 110.5 | S1576 | S1576-K1578 PolarHBondContact O-N 3.18Å; S1576-K1578 VanDerWaalsContact O-N 3.1Å | ||
| 1579 | T | 28.8 | Very low | 37.3 | Very low | 105 Ų | 105 | 108.4 Ų | 108.4 | 64% | 0.644 | 57% | 0.567 | S | S | * | * | trans | -57.1 | 144.3 | 147.5 | 44 | 0 | 0 | 0 | 0 | 108.4 | K1577 | K1577-T1579 VanDerWaalsContact C-N 3.3Å; K1577-T1579 PolarHBondContact O-N 3.4Å | ||
| 1580 | F | 38.9 | Very low | 39.3 | Very low | 57 Ų | 57 | 101.6 Ų | 101.6 | 25% | 0.25 | 53% | 0.53 | C | S | . | . | trans | -85.8 | 115.2 | 176.1 | -171 | -115.4 | 0 | 0 | 0 | 107.5 | R1101 D1582 Q1585 | R1101-F1580 VanDerWaalsContact NH2-CE2 3.35Å; R1101-F1580 VanDerWaalsContact NH2-CZ 3.31Å; F1580-D1582 VanDerWaalsContact C-N 3.33Å; F1580-D1582 WeakPolarHBondContact CE1-O 3.46Å; F1580-D1582 WeakPolarHBondContact CZ-O 3.37Å; F1580-D1582 PolarHBondContact O-N 3.17Å; F1580-Q1585 HydrophobicContact CZ-CB 4.35Å | ||
| 1581 | K | 41 | Very low | 41.2 | Very low | 188 Ų | 188 | 97.2 Ų | 97.2 | 82% | 0.817 | 50% | 0.499 | S | S | * | . | trans | -73 | -22.6 | -165.6 | -106.8 | -155.8 | 170.2 | -154.1 | 0 | 114.6 | Q1486 | Q1486-K1581 PolarHBondContact NE2-O 3.08Š| ||
| 1582 | D | 42.4 | Very low | 42.9 | Very low | 60 Ų | 60 | 96.6 Ų | 96.6 | 32% | 0.321 | 50% | 0.495 | S | S | . | . | trans | -155.7 | 113 | -168.3 | -161.2 | -20.8 | 0 | 0 | 0 | 113.6 | F1580 T1584 | F1580-D1582 VanDerWaalsContact C-N 3.33Å; F1580-D1582 WeakPolarHBondContact CE1-O 3.46Å; F1580-D1582 WeakPolarHBondContact CZ-O 3.37Å; F1580-D1582 PolarHBondContact O-N 3.17Å; D1582-T1584 PolarHBondContact O-N 2.95Å; D1582-T1584 VanDerWaalsContact OD1-CB 3.24Å; D1582-T1584 WeakPolarHBondContact OD1-CB 3.46Å; D1582-T1584 VanDerWaalsContact OD1-CG2 3.23Å; D1582-T1584 WeakPolarHBondContact OD1-CG2 3.47Å; D1582-T1584 PolarHBondContact OD1-N 3.29Å; D1582-T1584 PolarHBondContact OD1-OG1 3.2Å; D1582-T1584 PolarHBondContact OD2-OG1 3.35Å | ||
| 1583 | P | 41.5 | Very low | 44.4 | Very low | 25 Ų | 25 | 89.3 Ų | 89.3 | 16% | 0.162 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -19.3 | 173.2 | 29.5 | -33.6 | 0 | 0 | 0 | 112.9 | Q1585 L1586 L1587 | P1583-Q1585 VanDerWaalsContact C-N 3.26Å; P1583-Q1585 PolarHBondContact O-N 3Å; P1583-L1586 WeakPolarHBondContact O-CB 3.05Å; P1583-L1586 PolarHBondContact O-N 3.26Å; P1583-L1587 PolarHBondContact O-N 2.99Å |
| 1584 | T | 49.9 | Very low | 46.1 | Very low | 50 Ų | 50 | 85.1 Ų | 85.1 | 31% | 0.307 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.5 | -34.2 | 178.3 | 69.3 | 0 | 0 | 0 | 0 | 111.7 | D1582 L1586 L1587 E1588 | D1582-T1584 PolarHBondContact O-N 2.95Å; D1582-T1584 VanDerWaalsContact OD1-CB 3.24Å; D1582-T1584 WeakPolarHBondContact OD1-CB 3.46Å; D1582-T1584 VanDerWaalsContact OD1-CG2 3.23Å; D1582-T1584 WeakPolarHBondContact OD1-CG2 3.47Å; D1582-T1584 PolarHBondContact OD1-N 3.29Å; D1582-T1584 PolarHBondContact OD1-OG1 3.2Å; D1582-T1584 PolarHBondContact OD2-OG1 3.35Å; T1584-L1586 PolarHBondContact O-N 3.47Å; T1584-L1586 VanDerWaalsContact O-N 3.11Å; T1584-L1587 CarbonylContact O-C 3.59Å; T1584-L1587 WeakPolarHBondContact O-CA 3.18Å; T1584-L1587 WeakPolarHBondContact O-CB 3.42Å; T1584-L1587 PolarHBondContact O-N 3.19Å; T1584-E1588 WeakPolarHBondContact O-CB 3.45Å; T1584-E1588 PolarHBondContact O-N 3.41Å |
| 1585 | Q | 56.9 | Low | 47.7 | Very low | 86 Ų | 86 | 77.9 Ų | 77.9 | 40% | 0.402 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.1 | -27.5 | 173.4 | -69.5 | -172.9 | 4.5 | 0 | 0 | 113.5 | F1580 P1583 T1589 | F1580-Q1585 HydrophobicContact CZ-CB 4.35Å; P1583-Q1585 VanDerWaalsContact C-N 3.26Å; P1583-Q1585 PolarHBondContact O-N 3Å; Q1585-T1589 PolarHBondContact O-N 2.88Å; Q1585-T1589 VanDerWaalsContact O-N 3.17Å; Q1585-T1589 PolarHBondContact O-OG1 3.18Å |
| 1586 | L | 57.2 | Low | 49.5 | Very low | 6 Ų | 6 | 71.3 Ų | 71.3 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -79 | -37.3 | 175.7 | -149.2 | 83.7 | 0 | 0 | 0 | 111.3 | L1413 V1417 L1479 P1583 T1584 T1589 I1590 | L1413-L1586 HydrophobicContact CB-CD2 4.09Å; V1417-L1586 HydrophobicContact CB-CD1 3.94Å; V1417-L1586 HydrophobicContact CB-CD2 4.39Å; V1417-L1586 HydrophobicContact CB-CG 4.1Å; V1417-L1586 HydrophobicContact CG1-CD1 4.07Å; V1417-L1586 HydrophobicContact CG1-CG 4.18Å; V1417-L1586 HydrophobicContact CG2-CD1 4.33Å; V1417-L1586 HydrophobicContact CG2-CD2 3.88Å; V1417-L1586 HydrophobicContact CG2-CG 3.95Å; L1479-L1586 HydrophobicContact CD1-CD2 4.13Å; L1479-L1586 HydrophobicContact CD2-CD2 3.46Å; L1479-L1586 VanDerWaalsContact CD2-CD2 3.46Å; L1479-L1586 HydrophobicContact CG-CD2 4.44Å; P1583-L1586 WeakPolarHBondContact O-CB 3.05Å; P1583-L1586 PolarHBondContact O-N 3.26Å; T1584-L1586 PolarHBondContact O-N 3.47Å; T1584-L1586 VanDerWaalsContact O-N 3.11Å; L1586-T1589 WeakPolarHBondContact O-CB 3.05Å; L1586-T1589 PolarHBondContact O-N 2.9Å; L1586-I1590 WeakPolarHBondContact O-CG1 3.25Å; L1586-I1590 PolarHBondContact O-N 2.94Å; L1586-I1590 VanDerWaalsContact O-N 3.1Å |
| 1587 | L | 61.4 | Low | 51.5 | Low | 10 Ų | 10 | 67.2 Ų | 67.2 | 5% | 0.052 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.9 | -47.8 | 171.1 | -173.9 | 73.5 | 0 | 0 | 0 | 111 | P1583 T1584 T1589 I1590 S1591 V1702 H1703 T1706 | P1583-L1587 PolarHBondContact O-N 2.99Å; T1584-L1587 CarbonylContact O-C 3.59Å; T1584-L1587 WeakPolarHBondContact O-CA 3.18Å; T1584-L1587 WeakPolarHBondContact O-CB 3.42Å; T1584-L1587 PolarHBondContact O-N 3.19Å; L1587-T1589 PolarHBondContact O-N 3.41Å; L1587-I1590 CarbonylContact O-C 3.47Å; L1587-I1590 WeakPolarHBondContact O-CA 3.29Å; L1587-I1590 WeakPolarHBondContact O-CB 3.45Å; L1587-I1590 PolarHBondContact O-N 2.95Å; L1587-S1591 WeakPolarHBondContact O-CB 3.02Å; L1587-S1591 PolarHBondContact O-N 3.26Å; L1587-S1591 PolarHBondContact O-OG 3.27Å; L1587-V1702 HydrophobicContact CD1-CG1 4.43Å; L1587-H1703 HydrophobicContact CD2-CB 3.26Å; L1587-T1706 HydrophobicContact CD2-CG2 4.32Å |
| 1588 | E | 62.7 | Low | 53.9 | Low | 127 Ų | 127 | 57.8 Ų | 57.8 | 59% | 0.593 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -49.4 | -41.5 | 171.6 | -173.2 | -158.4 | 173.9 | 0 | 0 | 110.7 | T1584 S1591 S1592 | T1584-E1588 WeakPolarHBondContact O-CB 3.45Å; T1584-E1588 PolarHBondContact O-N 3.41Å; E1588-S1591 PolarHBondContact O-N 3.5Å; E1588-S1592 VanDerWaalsContact O-CB 3.27Å; E1588-S1592 WeakPolarHBondContact O-CB 3.46Å; E1588-S1592 PolarHBondContact O-N 2.96Å; E1588-S1592 PolarHBondContact O-OG 3.14Å |
| 1589 | T | 61.6 | Low | 56.5 | Low | 31 Ų | 31 | 49.6 Ų | 49.6 | 19% | 0.19 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 174.1 | -51.6 | 0 | 0 | 0 | 0 | 111.7 | V1417 Q1585 L1586 L1587 S1591 S1592 T1593 | V1417-T1589 HydrophobicContact CG1-CG2 3.37Å; Q1585-T1589 PolarHBondContact O-N 2.88Å; Q1585-T1589 VanDerWaalsContact O-N 3.17Å; Q1585-T1589 PolarHBondContact O-OG1 3.18Å; L1586-T1589 WeakPolarHBondContact O-CB 3.05Å; L1586-T1589 PolarHBondContact O-N 2.9Å; L1587-T1589 PolarHBondContact O-N 3.41Å; T1589-S1591 VanDerWaalsContact C-N 3.33Å; T1589-S1592 PolarHBondContact O-N 2.82Å; T1589-S1592 PolarHBondContact O-OG 3.21Å; T1589-T1593 PolarHBondContact O-N 3Å; T1589-T1593 VanDerWaalsContact O-N 3.12Å; T1589-T1593 PolarHBondContact O-OG1 3.27Å |
| 1590 | I | 63.5 | Low | 58.9 | Low | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.2 | -36.6 | 175.2 | -67.6 | 167.7 | 0 | 0 | 0 | 111.5 | V1417 L1479 L1586 L1587 T1593 V1595 L1699 | V1417-I1590 HydrophobicContact CG2-CD1 4.24Å; V1417-I1590 HydrophobicContact CG2-CG1 4.22Å; L1479-I1590 HydrophobicContact CD1-CD1 3.55Å; L1586-I1590 WeakPolarHBondContact O-CG1 3.25Å; L1586-I1590 PolarHBondContact O-N 2.94Å; L1586-I1590 VanDerWaalsContact O-N 3.1Å; L1587-I1590 CarbonylContact O-C 3.47Å; L1587-I1590 WeakPolarHBondContact O-CA 3.29Å; L1587-I1590 WeakPolarHBondContact O-CB 3.45Å; L1587-I1590 PolarHBondContact O-N 2.95Å; I1590-T1593 WeakPolarHBondContact CA-OG1 3.32Å; I1590-T1593 PolarHBondContact O-N 2.87Å; I1590-T1593 PolarHBondContact O-OG1 2.65Å; I1590-V1595 HydrophobicContact CG2-CG2 4.38Å; I1590-L1699 HydrophobicContact CG2-CD2 4.45Å |
| 1591 | S | 60.3 | Low | 60.9 | Low | 23 Ų | 23 | 45.3 Ų | 45.3 | 16% | 0.161 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.4 | -37.8 | 176.9 | -66.7 | 0 | 0 | 0 | 0 | 112.8 | L1587 E1588 T1589 T1593 I1710 | L1587-S1591 WeakPolarHBondContact O-CB 3.02Å; L1587-S1591 PolarHBondContact O-N 3.26Å; L1587-S1591 PolarHBondContact O-OG 3.27Å; E1588-S1591 PolarHBondContact O-N 3.5Å; T1589-S1591 VanDerWaalsContact C-N 3.33Å; S1591-T1593 VanDerWaalsContact C-N 3.3Å; S1591-I1710 WeakPolarHBondContact OG-CD1 3.43Å |
| 1592 | S | 58 | Low | 62.9 | Low | 94 Ų | 94 | 36.5 Ų | 36.5 | 66% | 0.657 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -76 | -16.3 | 175.3 | 74.1 | 0 | 0 | 0 | 0 | 113.6 | E1588 T1589 | E1588-S1592 VanDerWaalsContact O-CB 3.27Å; E1588-S1592 WeakPolarHBondContact O-CB 3.46Å; E1588-S1592 PolarHBondContact O-N 2.96Å; E1588-S1592 PolarHBondContact O-OG 3.14Å; T1589-S1592 PolarHBondContact O-N 2.82Å; T1589-S1592 PolarHBondContact O-OG 3.21Å |
| 1593 | T | 57.5 | Low | 64.9 | Low | 12 Ų | 12 | 36.4 Ų | 36.4 | 7% | 0.074 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 148.6 | 169.7 | 48.5 | 0 | 0 | 0 | 0 | 111.2 | V1422 D1423 T1589 I1590 S1591 V1595 | V1422-T1593 HydrophobicContact CG1-CG2 4.42Å; D1423-T1593 VanDerWaalsContact OD1-CG2 3.25Å; D1423-T1593 WeakPolarHBondContact OD1-CG2 3.02Å; T1589-T1593 PolarHBondContact O-N 3Å; T1589-T1593 VanDerWaalsContact O-N 3.12Å; T1589-T1593 PolarHBondContact O-OG1 3.27Å; I1590-T1593 WeakPolarHBondContact CA-OG1 3.32Å; I1590-T1593 PolarHBondContact O-N 2.87Å; I1590-T1593 PolarHBondContact O-OG1 2.65Å; S1591-T1593 VanDerWaalsContact C-N 3.3Å; T1593-V1595 PolarHBondContact O-N 2.89Å |
| 1594 | E | 58.5 | Low | 66.7 | Low | 108 Ų | 108 | 38.4 Ų | 38.4 | 51% | 0.505 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -67.4 | 32.7 | -179.5 | -57.2 | 169.1 | -161.7 | 0 | 0 | 114.3 | S1430 F1596 G1597 | S1430-E1594 WeakPolarHBondContact CB-OE2 3.47Å; S1430-E1594 PolarHBondContact OG-OE2 3.48Å; E1594-F1596 PolarHBondContact O-N 3Å; E1594-G1597 PolarHBondContact O-N 3.27Å |
| 1595 | V | 58.3 | Low | 68 | Low | 8 Ų | 8 | 36.2 Ų | 36.2 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -57 | -32 | 169.8 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | V1422 S1426 L1472 I1590 T1593 G1597 L1598 | V1422-V1595 HydrophobicContact CG1-CG2 4.01Å; S1426-V1595 WeakPolarHBondContact OG-CG2 3.42Å; S1426-V1595 PolarHBondContact OG-N 3.02Å; L1472-V1595 HydrophobicContact CD1-CG1 4.25Å; I1590-V1595 HydrophobicContact CG2-CG2 4.38Å; T1593-V1595 PolarHBondContact O-N 2.89Å; V1595-G1597 PolarHBondContact O-N 3.39Å; V1595-L1598 WeakPolarHBondContact O-CB 3.1Å; V1595-L1598 WeakPolarHBondContact O-CG 3.34Å; V1595-L1598 PolarHBondContact O-N 2.97Å |
| 1596 | F | 60.9 | Low | 69.1 | Low | 27 Ų | 27 | 32.3 Ų | 32.3 | 12% | 0.118 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -67 | -7.2 | 171.2 | -64.6 | -82.1 | 0 | 0 | 0 | 114.7 | E1594 L1598 V1599 P1600 L1699 M1707 I1710 L1711 | E1594-F1596 PolarHBondContact O-N 3Å; F1596-L1598 PolarHBondContact O-N 3.33Å; F1596-L1598 VanDerWaalsContact O-N 3.11Å; F1596-V1599 WeakPolarHBondContact O-CB 3.15Å; F1596-V1599 PolarHBondContact O-N 2.85Å; F1596-P1600 WeakPolarHBondContact O-CD 3.41Å; F1596-L1699 HydrophobicContact CZ-CD2 4.34Å; F1596-M1707 HydrophobicContact CE1-CE 4Å; F1596-M1707 HydrophobicContact CE1-SD 3.94Å; F1596-M1707 HydrophobicContact CZ-CE 4.28Å; F1596-M1707 HydrophobicContact CZ-SD 3.61Å; F1596-I1710 HydrophobicContact CD1-CG2 3.78Å; F1596-I1710 HydrophobicContact CD2-CG2 3.91Å; F1596-I1710 HydrophobicContact CE1-CB 4.31Å; F1596-I1710 HydrophobicContact CE1-CG2 3.58Å; F1596-I1710 HydrophobicContact CE2-CD1 3.83Å; F1596-I1710 HydrophobicContact CE2-CG2 3.73Å; F1596-I1710 HydrophobicContact CG-CG2 3.95Å; F1596-I1710 HydrophobicContact CZ-CB 4.1Å; F1596-I1710 HydrophobicContact CZ-CD1 3.8Å; F1596-I1710 HydrophobicContact CZ-CG2 3.55Å; F1596-L1711 HydrophobicContact CD1-CD2 4.23Å; F1596-L1711 HydrophobicContact CE1-CD2 3.99Å |
| 1597 | G | 67.4 | Low | 69.6 | Low | 13 Ų | 13 | 36.7 Ų | 36.7 | 13% | 0.134 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -57.7 | -19.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1594 V1595 V1599 P1600 L1601 | E1594-G1597 PolarHBondContact O-N 3.27Å; V1595-G1597 PolarHBondContact O-N 3.39Å; G1597-V1599 VanDerWaalsContact C-N 3.27Å; G1597-V1599 PolarHBondContact O-N 3.31Å; G1597-P1600 WeakPolarHBondContact O-CD 3.27Å; G1597-L1601 WeakPolarHBondContact O-CB 3.34Å; G1597-L1601 PolarHBondContact O-N 2.95Å |
| 1598 | L | 78.6 | Confident | 69.3 | Low | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.6 | -26.7 | 168 | -72 | 174 | 0 | 0 | 0 | 114 | L1429 I1469 V1595 F1596 L1601 L1602 T1692 L1695 | L1429-L1598 HydrophobicContact CB-CD2 4.22Å; L1429-L1598 HydrophobicContact CD1-CD1 4.34Å; L1429-L1598 HydrophobicContact CD1-CD2 3.99Å; L1429-L1598 HydrophobicContact CD1-CG 4.17Å; L1429-L1598 HydrophobicContact CD2-CD2 4.07Å; L1429-L1598 HydrophobicContact CG-CD2 4.32Å; I1469-L1598 HydrophobicContact CD1-CD2 4.28Å; I1469-L1598 HydrophobicContact CG1-CD1 4.25Å; I1469-L1598 HydrophobicContact CG1-CD2 4.11Å; V1595-L1598 WeakPolarHBondContact O-CB 3.1Å; V1595-L1598 WeakPolarHBondContact O-CG 3.34Å; V1595-L1598 PolarHBondContact O-N 2.97Å; F1596-L1598 PolarHBondContact O-N 3.33Å; F1596-L1598 VanDerWaalsContact O-N 3.11Å; L1598-L1601 HydrophobicContact CD2-CD2 3.99Å; L1598-L1602 VanDerWaalsContact O-CB 3.23Å; L1598-L1602 WeakPolarHBondContact O-CB 3.46Å; L1598-L1602 PolarHBondContact O-N 3.13Å; L1598-T1692 HydrophobicContact CB-CG2 4.07Å; L1598-L1695 HydrophobicContact CD1-CD2 3.46Å; L1598-L1695 VanDerWaalsContact CD1-CD2 3.46Å |
| 1599 | V | 81 | Confident | 68.7 | Low | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.2 | -51.3 | 178.7 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | F1596 G1597 L1601 L1602 Y1603 I1696 I1716 L1719 M1720 I1723 | F1596-V1599 WeakPolarHBondContact O-CB 3.15Å; F1596-V1599 PolarHBondContact O-N 2.85Å; G1597-V1599 VanDerWaalsContact C-N 3.27Å; G1597-V1599 PolarHBondContact O-N 3.31Å; V1599-L1601 VanDerWaalsContact C-N 3.33Å; V1599-L1601 PolarHBondContact O-N 3.43Å; V1599-L1602 PolarHBondContact O-N 2.64Å; V1599-Y1603 WeakPolarHBondContact O-CB 3.46Å; V1599-Y1603 PolarHBondContact O-N 2.94Å; V1599-I1696 HydrophobicContact CG2-CD1 4.31Å; V1599-I1716 HydrophobicContact CG1-CG2 4.44Å; V1599-L1719 HydrophobicContact CG1-CB 4.02Å; V1599-M1720 HydrophobicContact CB-SD 4.41Å; V1599-M1720 HydrophobicContact CG1-CG 3.96Å; V1599-M1720 HydrophobicContact CG1-SD 3.74Å; V1599-M1720 HydrophobicContact CG2-SD 3.75Å; V1599-I1723 HydrophobicContact CG1-CD1 3.97Å |
| 1600 | P | 79.3 | Confident | 68.1 | Low | 59 Ų | 59 | 40.9 Ų | 40.9 | 38% | 0.383 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -56.5 | -41.7 | 167.1 | -27.7 | 36.1 | 0 | 0 | 0 | 113.5 | F1596 G1597 L1602 Y1603 C1604 L1719 | F1596-P1600 WeakPolarHBondContact O-CD 3.41Å; G1597-P1600 WeakPolarHBondContact O-CD 3.27Å; P1600-L1602 PolarHBondContact O-N 3.46Å; P1600-Y1603 PolarHBondContact O-N 3.29Å; P1600-C1604 PolarHBondContact O-N 3.39Å; P1600-C1604 PolarHBondContact O-SG 3.47Å; P1600-L1719 HydrophobicContact CG-CD1 4.3Å |
| 1601 | L | 80.7 | Confident | 67.3 | Low | 12 Ų | 12 | 41.1 Ų | 41.1 | 6% | 0.063 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.4 | -48.2 | 176.5 | -178.8 | 65.3 | 0 | 0 | 0 | 111.5 | A1435 L1438 V1465 G1597 L1598 V1599 C1604 L1605 | A1435-L1601 HydrophobicContact CB-CD1 3.76Å; L1438-L1601 HydrophobicContact CD1-CD1 4.5Å; V1465-L1601 HydrophobicContact CG1-CD2 4.46Å; G1597-L1601 WeakPolarHBondContact O-CB 3.34Å; G1597-L1601 PolarHBondContact O-N 2.95Å; L1598-L1601 HydrophobicContact CD2-CD2 3.99Å; V1599-L1601 VanDerWaalsContact C-N 3.33Å; V1599-L1601 PolarHBondContact O-N 3.43Å; L1601-C1604 PolarHBondContact O-N 3.29Å; L1601-L1605 HydrophobicContact CD1-CD1 4.43Å; L1601-L1605 HydrophobicContact CG-CD1 4.16Å; L1601-L1605 VanDerWaalsContact O-CG 3.28Å; L1601-L1605 WeakPolarHBondContact O-CG 3.19Å; L1601-L1605 PolarHBondContact O-N 2.83Å |
| 1602 | L | 83.7 | Confident | 66.4 | Low | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.4 | -39 | 178.4 | -177.5 | 57.9 | 0 | 0 | 0 | 111.9 | L1598 V1599 P1600 L1605 L1606 T1689 T1692 I1723 | L1598-L1602 VanDerWaalsContact O-CB 3.23Å; L1598-L1602 WeakPolarHBondContact O-CB 3.46Å; L1598-L1602 PolarHBondContact O-N 3.13Å; V1599-L1602 PolarHBondContact O-N 2.64Å; P1600-L1602 PolarHBondContact O-N 3.46Å; L1602-L1605 PolarHBondContact O-N 3.43Å; L1602-L1606 HydrophobicContact CD1-CD1 3.9Å; L1602-L1606 HydrophobicContact CD1-CG 4.13Å; L1602-L1606 HydrophobicContact CG-CD1 3.95Å; L1602-L1606 WeakPolarHBondContact O-CB 3.18Å; L1602-L1606 VanDerWaalsContact O-CG 3.3Å; L1602-L1606 WeakPolarHBondContact O-CG 3.11Å; L1602-L1606 PolarHBondContact O-N 3.05Å; L1602-T1689 HydrophobicContact CD1-CG2 4.13Å; L1602-T1689 WeakPolarHBondContact CD1-OG1 3.13Å; L1602-T1692 HydrophobicContact CD2-CG2 4.04Å; L1602-I1723 HydrophobicContact CB-CD1 4.29Å; L1602-I1723 HydrophobicContact CD2-CD1 4.34Å; L1602-I1723 HydrophobicContact CD2-CG2 3.94Å; L1602-I1723 HydrophobicContact CG-CD1 4.24Å; L1602-I1723 HydrophobicContact CG-CG2 4.3Å |
| 1603 | Y | 84.2 | Confident | 65.4 | Low | 59 Ų | 59 | 43.2 Ų | 43.2 | 23% | 0.231 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.5 | -48.9 | 173.7 | -175 | -117.2 | 0 | 0 | 0 | 111.6 | V1599 P1600 L1605 L1606 L1607 L1719 H1722 I1723 | V1599-Y1603 WeakPolarHBondContact O-CB 3.46Å; V1599-Y1603 PolarHBondContact O-N 2.94Å; P1600-Y1603 PolarHBondContact O-N 3.29Å; Y1603-L1605 VanDerWaalsContact C-N 3.34Å; Y1603-L1605 PolarHBondContact O-N 3.04Å; Y1603-L1606 PolarHBondContact O-N 3.27Å; Y1603-L1607 HydrophobicContact CD1-CD1 3.66Å; Y1603-L1607 HydrophobicContact CD1-CG 4.31Å; Y1603-L1607 HydrophobicContact CE1-CD1 3.44Å; Y1603-L1607 VanDerWaalsContact CE1-CD1 3.44Å; Y1603-L1607 HydrophobicContact CE1-CG 4.1Å; Y1603-L1607 HydrophobicContact CE2-CD1 4.49Å; Y1603-L1607 HydrophobicContact CE2-CD2 4.45Å; Y1603-L1607 HydrophobicContact CE2-CG 4.27Å; Y1603-L1607 HydrophobicContact CG-CD1 4.31Å; Y1603-L1607 WeakPolarHBondContact O-CB 3.42Å; Y1603-L1607 WeakPolarHBondContact O-CG 3.42Å; Y1603-L1607 PolarHBondContact O-N 3.36Å; Y1603-L1719 HydrophobicContact CD1-CD2 3.36Å; Y1603-L1719 HydrophobicContact CD2-CD2 4.05Å; Y1603-L1719 HydrophobicContact CE1-CD2 3.54Å; Y1603-L1719 HydrophobicContact CE2-CD2 4.23Å; Y1603-L1719 HydrophobicContact CG-CD2 3.62Å; Y1603-H1722 HydrophobicContact CD2-CB 4.45Å; Y1603-H1722 HydrophobicContact CE2-CB 3.83Å; Y1603-I1723 HydrophobicContact CD2-CG1 4.19Å |
| 1604 | C | 79.6 | Confident | 64.2 | Low | 66 Ų | 66 | 47.5 Ų | 47.5 | 45% | 0.446 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61 | -37.6 | 176.3 | -68.2 | 0 | 0 | 0 | 0 | 113.3 | A1435 P1600 L1601 L1606 | A1435-C1604 HydrophobicContact CB-CB 4.39Å; P1600-C1604 PolarHBondContact O-N 3.39Å; P1600-C1604 PolarHBondContact O-SG 3.47Å; L1601-C1604 PolarHBondContact O-N 3.29Å; C1604-L1606 VanDerWaalsContact C-N 3.33Å |
| 1605 | L | 77.3 | Confident | 63.1 | Low | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.5 | -26.1 | 177.4 | -69.3 | 171.1 | 0 | 0 | 0 | 113.5 | L1438 L1601 L1602 Y1603 N1611 I1685 I1688 | L1438-L1605 HydrophobicContact CB-CD2 3.63Å; L1438-L1605 HydrophobicContact CD1-CD1 4.09Å; L1438-L1605 HydrophobicContact CD1-CD2 4.12Å; L1601-L1605 HydrophobicContact CD1-CD1 4.43Å; L1601-L1605 HydrophobicContact CG-CD1 4.16Å; L1601-L1605 VanDerWaalsContact O-CG 3.28Å; L1601-L1605 WeakPolarHBondContact O-CG 3.19Å; L1601-L1605 PolarHBondContact O-N 2.83Å; L1602-L1605 PolarHBondContact O-N 3.43Å; Y1603-L1605 VanDerWaalsContact C-N 3.34Å; Y1603-L1605 PolarHBondContact O-N 3.04Å; L1605-N1611 PolarHBondContact O-ND2 2.7Å; L1605-I1685 HydrophobicContact CB-CG2 4.4Å; L1605-I1688 HydrophobicContact CD1-CG2 3.96Å |
| 1606 | L | 79.4 | Confident | 61.5 | Low | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -91.3 | -24 | 178.5 | -66.2 | 173.6 | 0 | 0 | 0 | 113.1 | L1602 Y1603 C1604 D1608 F1680 I1723 L1727 R1730 | L1602-L1606 HydrophobicContact CD1-CD1 3.9Å; L1602-L1606 HydrophobicContact CD1-CG 4.13Å; L1602-L1606 HydrophobicContact CG-CD1 3.95Å; L1602-L1606 WeakPolarHBondContact O-CB 3.18Å; L1602-L1606 VanDerWaalsContact O-CG 3.3Å; L1602-L1606 WeakPolarHBondContact O-CG 3.11Å; L1602-L1606 PolarHBondContact O-N 3.05Å; Y1603-L1606 PolarHBondContact O-N 3.27Å; C1604-L1606 VanDerWaalsContact C-N 3.33Å; L1606-D1608 VanDerWaalsContact C-N 3.32Å; L1606-D1608 PolarHBondContact O-N 3.26Å; L1606-F1680 HydrophobicContact CD2-CE1 3.98Å; L1606-I1723 HydrophobicContact CD1-CB 4.49Å; L1606-I1723 HydrophobicContact CD1-CG1 4.37Å; L1606-I1723 HydrophobicContact CD1-CG2 3.9Å; L1606-L1727 HydrophobicContact CD1-CD1 4.3Å; L1606-L1727 HydrophobicContact CD1-CD2 3.86Å; L1606-L1727 HydrophobicContact CD1-CG 4Å; L1606-L1727 HydrophobicContact CD2-CD2 3.9Å; L1606-R1730 PolarHBondContact O-NH1 3.05Å; L1606-R1730 PolarHBondContact O-NH2 2.96Å |
| 1607 | L | 68.1 | Low | 59.8 | Low | 97 Ų | 97 | 58.9 Ų | 58.9 | 51% | 0.508 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.7 | -27.2 | -179.3 | -94.7 | 172.8 | 0 | 0 | 0 | 115.2 | Y1603 | Y1603-L1607 HydrophobicContact CD1-CD1 3.66Å; Y1603-L1607 HydrophobicContact CD1-CG 4.31Å; Y1603-L1607 HydrophobicContact CE1-CD1 3.44Å; Y1603-L1607 VanDerWaalsContact CE1-CD1 3.44Å; Y1603-L1607 HydrophobicContact CE1-CG 4.1Å; Y1603-L1607 HydrophobicContact CE2-CD1 4.49Å; Y1603-L1607 HydrophobicContact CE2-CD2 4.45Å; Y1603-L1607 HydrophobicContact CE2-CG 4.27Å; Y1603-L1607 HydrophobicContact CG-CD1 4.31Å; Y1603-L1607 WeakPolarHBondContact O-CB 3.42Å; Y1603-L1607 WeakPolarHBondContact O-CG 3.42Å; Y1603-L1607 PolarHBondContact O-N 3.36Å |
| 1608 | D | 55.8 | Low | 57.6 | Low | 30 Ų | 30 | 64.8 Ų | 64.8 | 16% | 0.16 | 37% | 0.369 | C | S | . | . | trans | -51.7 | 120.3 | -175.1 | -178 | -17.3 | 0 | 0 | 0 | 111.1 | N1442 L1606 K1610 N1611 | N1442-D1608 PolarHBondContact ND2-OD2 2.77Å; L1606-D1608 VanDerWaalsContact C-N 3.32Å; L1606-D1608 PolarHBondContact O-N 3.26Å; D1608-K1610 PolarHBondContact O-N 3.07Å; D1608-K1610 VanDerWaalsContact O-N 3.16Å; D1608-K1610 WeakPolarHBondContact OD1-CB 3.39Å; D1608-K1610 PolarHBondContact OD1-N 2.72Å; D1608-N1611 HydrophobicContact CB-CB 4.26Å; D1608-N1611 WeakPolarHBondContact O-CA 3.14Å; D1608-N1611 WeakPolarHBondContact O-CB 3.23Å; D1608-N1611 PolarHBondContact O-N 2.85Å | ||
| 1609 | P | 49 | Very low | 55.1 | Low | 99 Ų | 99 | 69.6 Ų | 69.6 | 64% | 0.643 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -63 | -22.8 | -176.1 | 24.2 | -33.9 | 0 | 0 | 0 | 113.3 | N1611 S1612 | P1609-N1611 PolarHBondContact O-N 3.07Å; P1609-S1612 WeakPolarHBondContact O-CB 3.38Å; P1609-S1612 PolarHBondContact O-N 3.43Å; P1609-S1612 PolarHBondContact O-OG 3.49Å |
| 1610 | K | 48.5 | Very low | 52.2 | Low | 128 Ų | 128 | 76.4 Ų | 76.4 | 56% | 0.557 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -66.4 | -19.2 | 170.6 | -69.3 | -176.6 | 168 | -170.3 | 0 | 113.4 | N1442 N1443 D1608 | N1442-K1610 WeakPolarHBondContact ND2-CB 3.1Å; N1443-K1610 PolarHBondContact OD1-NZ 3.38Å; D1608-K1610 PolarHBondContact O-N 3.07Å; D1608-K1610 VanDerWaalsContact O-N 3.16Å; D1608-K1610 WeakPolarHBondContact OD1-CB 3.39Å; D1608-K1610 PolarHBondContact OD1-N 2.72Å |
| 1611 | N | 47.6 | Very low | 49.6 | Very low | 9 Ų | 9 | 80.2 Ų | 80.2 | 5% | 0.048 | 46% | 0.455 | C | S | . | . | G | 310 helix | trans | -96.2 | 1.7 | 177.1 | -141 | 5 | 0 | 0 | 0 | 111 | L1605 D1608 P1609 F1680 S1681 R1730 | L1605-N1611 PolarHBondContact O-ND2 2.7Å; D1608-N1611 HydrophobicContact CB-CB 4.26Å; D1608-N1611 WeakPolarHBondContact O-CA 3.14Å; D1608-N1611 WeakPolarHBondContact O-CB 3.23Å; D1608-N1611 PolarHBondContact O-N 2.85Å; P1609-N1611 PolarHBondContact O-N 3.07Å; N1611-F1680 WeakPolarHBondContact OD1-CA 3.12Å; N1611-S1681 PolarHBondContact OD1-N 3.23Å; N1611-R1730 PolarHBondContact O-NE 3.16Å; N1611-R1730 PolarHBondContact O-NH1 2.94Å |
| 1612 | S | 41.2 | Very low | 46.8 | Very low | 68 Ų | 68 | 83.3 Ų | 83.3 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | trans | -94 | 139.1 | 179.4 | 80.6 | 0 | 0 | 0 | 0 | 112.1 | P1609 | P1609-S1612 WeakPolarHBondContact O-CB 3.38Å; P1609-S1612 PolarHBondContact O-N 3.43Å; P1609-S1612 PolarHBondContact O-OG 3.49Å | ||
| 1613 | R | 37.3 | Very low | 44.1 | Very low | 94 Ų | 94 | 88.6 Ų | 88.6 | 36% | 0.355 | 52% | 0.523 | S | S | . | . | trans | -89.3 | 114.6 | 172.3 | -172.1 | 179.3 | -174.7 | 173.1 | 5.2 | 107.5 | V1615 V1732 | R1613-V1615 PolarHBondContact O-N 3.34Å; R1613-V1732 PolarHBondContact NH1-O 3.07Å | ||
| 1614 | S | 32.5 | Very low | 41.2 | Very low | 101 Ų | 101 | 92.5 Ų | 92.5 | 71% | 0.706 | 55% | 0.548 | S | S | * | . | trans | -58.9 | 123 | -179.4 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1615 | V | 34.6 | Very low | 38.6 | Very low | 118 Ų | 118 | 95 Ų | 95 | 72% | 0.715 | 56% | 0.561 | S | S | * | * | trans | -81.8 | 118.1 | 175.4 | 178.2 | 0 | 0 | 0 | 0 | 108.6 | R1613 T1617 | R1613-V1615 PolarHBondContact O-N 3.34Å; V1615-T1617 PolarHBondContact O-N 3.14Å; V1615-T1617 PolarHBondContact O-OG1 2.95Å | ||
| 1616 | D | 23.9 | Very low | 36.1 | Very low | 150 Ų | 150 | 101.1 Ų | 101.1 | 80% | 0.802 | 59% | 0.594 | S | S | * | * | trans | -60.6 | 92.4 | 179.5 | -75.6 | -50.3 | 0 | 0 | 0 | 111.9 | ||||
| 1617 | T | 26.3 | Very low | 33.5 | Very low | 114 Ų | 114 | 107.3 Ų | 107.3 | 70% | 0.699 | 63% | 0.626 | S | S | * | * | trans | -95.7 | 101.5 | 171.9 | -53.9 | 0 | 0 | 0 | 0 | 108.3 | V1615 T1619 | V1615-T1617 PolarHBondContact O-N 3.14Å; V1615-T1617 PolarHBondContact O-OG1 2.95Å; T1617-T1619 PolarHBondContact O-N 3.34Å | ||
| 1618 | T | 20.6 | Very low | 31.4 | Very low | 138 Ų | 138 | 109.8 Ų | 109.8 | 85% | 0.847 | 64% | 0.64 | S | S | * | * | trans | -73.1 | 82 | -174.2 | 53.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1619 | T | 25.6 | Very low | 30 | Very low | 106 Ų | 106 | 112.5 Ų | 112.5 | 65% | 0.65 | 66% | 0.661 | S | S | * | * | trans | -131.4 | 100.8 | 170.9 | -51.1 | 0 | 0 | 0 | 0 | 111 | T1617 I1621 | T1617-T1619 PolarHBondContact O-N 3.34Å; T1619-I1621 HydrophobicContact CG2-CG1 4.48Å; T1619-I1621 PolarHBondContact O-N 3.09Å | ||
| 1620 | T | 20.6 | Very low | 28.8 | Very low | 144 Ų | 144 | 115.6 Ų | 115.6 | 88% | 0.883 | 67% | 0.667 | S | S | * | * | trans | -73.9 | 106.2 | 175.6 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1621 | I | 25.7 | Very low | 27.7 | Very low | 139 Ų | 139 | 116.6 Ų | 116.6 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | trans | -131 | 103.8 | 159.3 | -61.8 | -178.1 | 0 | 0 | 0 | 108.5 | T1619 V1623 | T1619-I1621 HydrophobicContact CG2-CG1 4.48Å; T1619-I1621 PolarHBondContact O-N 3.09Å; I1621-V1623 HydrophobicContact CG2-CG2 3.87Å | ||
| 1622 | G | 21 | Very low | 26.5 | Very low | 78 Ų | 78 | 121 Ų | 121 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | -95.8 | 111.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1623 | V | 28 | Very low | 25.7 | Very low | 113 Ų | 113 | 123.1 Ų | 123.1 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | trans | -117.8 | 108.5 | 168.9 | 173.9 | 0 | 0 | 0 | 0 | 107.9 | I1621 V1625 | I1621-V1623 HydrophobicContact CG2-CG2 3.87Å; V1623-V1625 PolarHBondContact O-N 3.35Å | ||
| 1624 | N | 22.2 | Very low | 25 | Very low | 141 Ų | 141 | 123.9 Ų | 123.9 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | trans | -76.3 | 113.2 | 171.4 | -178.5 | 37.9 | 0 | 0 | 0 | 108.8 | N1626 | N1624-N1626 PolarHBondContact O-N 3.26Š| ||
| 1625 | V | 24.7 | Very low | 24.7 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | -82.1 | 107.6 | -177.3 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | V1623 | V1623-V1625 PolarHBondContact O-N 3.35Š| ||
| 1626 | N | 25.2 | Very low | 24 | Very low | 133 Ų | 133 | 126.8 Ų | 126.8 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | -132.1 | 103.8 | 168.9 | -106.3 | 1.7 | 0 | 0 | 0 | 109.4 | N1624 | N1624-N1626 PolarHBondContact O-N 3.26Š| ||
| 1627 | N | 24.6 | Very low | 24 | Very low | 133 Ų | 133 | 126.1 Ų | 126.1 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | trans | 33.4 | 152.3 | 146.5 | -66.7 | 8.3 | 0 | 0 | 0 | 123.1 | ||||
| 1628 | D | 25.8 | Very low | 24 | Very low | 150 Ų | 150 | 127.8 Ų | 127.8 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | trans | 81 | 135.7 | 159 | -52.7 | -31.5 | 0 | 0 | 0 | 118 | ||||
| 1629 | S | 24.7 | Very low | 24.4 | Very low | 86 Ų | 86 | 126.6 Ų | 126.6 | 60% | 0.601 | 74% | 0.74 | S | S | * | * | cis | -170.4 | 155 | -21.6 | 56 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1630 | H | 23.8 | Very low | 24.4 | Very low | 164 Ų | 164 | 127.1 Ų | 127.1 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | 62.9 | 163.6 | 159.7 | -65.4 | -63.7 | 0 | 0 | 0 | 120 | ||||
| 1631 | M | 25 | Very low | 24.7 | Very low | 150 Ų | 150 | 125 Ų | 125 | 74% | 0.739 | 73% | 0.734 | S | S | * | * | trans | 68.6 | 131.6 | 166.3 | -56.2 | -59.6 | 103.2 | 0 | 0 | 117.1 | ||||
| 1632 | T | 24.3 | Very low | 24.6 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 62% | 0.62 | 74% | 0.743 | S | S | * | * | cis | -174 | 158.9 | -27.4 | 8.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1633 | T | 23.2 | Very low | 24.7 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | trans | 51.8 | 102.8 | 153.6 | 54.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1634 | T | 22.6 | Very low | 24.6 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | 31.5 | 127.7 | 107.4 | 65.1 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 1635 | N | 25.8 | Very low | 24.7 | Very low | 149 Ų | 149 | 128 Ų | 128 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | -161.3 | 153.4 | 57.3 | -79.8 | -69.9 | 0 | 0 | 0 | 112.6 | |||||
| 1636 | C | 19.6 | Very low | 24.7 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 89% | 0.885 | 75% | 0.746 | S | S | * | * | trans | -82.9 | 143.5 | 165.8 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1637 | T | 25.3 | Very low | 24.7 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | trans | -146.4 | 139.9 | 160.2 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1638 | I | 26.6 | Very low | 24.8 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | trans | -68.2 | 142.4 | -178.4 | -65.7 | 148.5 | 0 | 0 | 0 | 110.7 | ||||
| 1639 | P | 29 | Very low | 25 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | -155.6 | 152 | 86.8 | 41.3 | -19.9 | 0 | 0 | 0 | 121.4 | |||||
| 1640 | T | 25.2 | Very low | 25 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | 5.8 | 152.2 | 147.6 | 62.1 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1641 | S | 26.5 | Very low | 25.2 | Very low | 98 Ų | 98 | 147.8 Ų | 147.8 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | 78.6 | 116.1 | 137.7 | 62.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1642 | E | 24 | Very low | 25.3 | Very low | 192 Ų | 192 | 149.9 Ų | 149.9 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | 70.9 | 126.3 | 133.3 | -63.4 | -171.7 | 163.7 | 0 | 0 | 123.5 | ||||
| 1643 | C | 23.3 | Very low | 25.5 | Very low | 114 Ų | 114 | 152.7 Ų | 152.7 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | 64.5 | 103.4 | 142.3 | -146.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1644 | S | 24.3 | Very low | 25.4 | Very low | 94 Ų | 94 | 152.3 Ų | 152.3 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | trans | 56.5 | 121 | 139.7 | 68.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1645 | D | 26.1 | Very low | 25.4 | Very low | 135 Ų | 135 | 155.4 Ų | 155.4 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | 43.7 | 111.7 | 139.4 | -77.3 | -59 | 0 | 0 | 0 | 120.2 | ||||
| 1646 | N | 24 | Very low | 25.3 | Very low | 167 Ų | 167 | 152.7 Ų | 152.7 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | -141 | 127.8 | 128.4 | -104 | -67.1 | 0 | 0 | 0 | 111.7 | |||||
| 1647 | R | 25.2 | Very low | 25.3 | Very low | 229 Ų | 229 | 155.2 Ų | 155.2 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -87.7 | 119 | 169 | -59.8 | 175.4 | -176.8 | 176.5 | -0.4 | 108.6 | ||||
| 1648 | D | 27.2 | Very low | 25.1 | Very low | 146 Ų | 146 | 157.3 Ų | 157.3 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | -148.3 | 69.3 | 166.8 | -150.8 | -7.8 | 0 | 0 | 0 | 115.1 | ||||
| 1649 | H | 28.6 | Very low | 24.9 | Very low | 201 Ų | 201 | 155.5 Ų | 155.5 | 93% | 0.931 | 78% | 0.783 | S | S | * | * | trans | -133.4 | 81.2 | 166.6 | -101.2 | 34.1 | 0 | 0 | 0 | 111.7 | ||||
| 1650 | R | 26.1 | Very low | 24.5 | Very low | 222 Ų | 222 | 154.6 Ų | 154.6 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -147.1 | 89 | 153.5 | -156.4 | 178.4 | -168.1 | -151.6 | 3.9 | 113.4 | ||||
| 1651 | R | 28.3 | Very low | 24.4 | Very low | 236 Ų | 236 | 156.1 Ų | 156.1 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | trans | -114.3 | 144.8 | 161.1 | -73.9 | -176.8 | 173.9 | -173.4 | 0.2 | 110.3 | ||||
| 1652 | K | 26 | Very low | 24.1 | Very low | 194 Ų | 194 | 158.8 Ų | 158.8 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | 14.6 | 135.6 | 149.4 | -55.9 | 176.1 | -177.2 | 179.7 | 0 | 116.9 | ||||
| 1653 | L | 27.7 | Very low | 24.2 | Very low | 161 Ų | 161 | 155.6 Ų | 155.6 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | -152.8 | 171.1 | 52.9 | -160.4 | 63 | 0 | 0 | 0 | 114.1 | |||||
| 1654 | T | 22.9 | Very low | 24.1 | Very low | 104 Ų | 104 | 159.5 Ų | 159.5 | 64% | 0.638 | 79% | 0.786 | S | S | * | * | trans | -99.3 | 155.4 | 179.7 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1655 | Q | 22.8 | Very low | 23.9 | Very low | 175 Ų | 175 | 161 Ų | 161 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 66.9 | 160 | 160 | -64.4 | -177.3 | 26.1 | 0 | 0 | 116.3 | ||||
| 1656 | T | 21.9 | Very low | 23.7 | Very low | 91 Ų | 91 | 159.8 Ų | 159.8 | 56% | 0.558 | 80% | 0.799 | S | S | * | * | cis | -166.3 | 155.5 | -21.4 | 33.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1657 | K | 21.4 | Very low | 23.5 | Very low | 185 Ų | 185 | 157.1 Ų | 157.1 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 65 | 163.9 | 157.9 | -66.3 | 154.6 | -177.9 | 172.5 | 0 | 114.7 | ||||
| 1658 | K | 20.6 | Very low | 23.5 | Very low | 179 Ų | 179 | 152.9 Ų | 152.9 | 78% | 0.778 | 79% | 0.792 | S | S | * | * | cis | -166.7 | 151.6 | -31.9 | -109.7 | -171 | 173 | -168.9 | 0 | 105.3 | ||||
| 1659 | S | 21.5 | Very low | 23.3 | Very low | 111 Ų | 111 | 151.7 Ų | 151.7 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | 60.1 | 159.3 | 159.3 | 36.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1660 | S | 21 | Very low | 23.1 | Very low | 94 Ų | 94 | 147.7 Ų | 147.7 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | cis | -176.7 | 142.4 | -29.6 | 52.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1661 | I | 22.3 | Very low | 22.8 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | 176.6 | 159.4 | 99.1 | -96.5 | 150.1 | 0 | 0 | 0 | 108.8 | |||||
| 1662 | H | 21.5 | Very low | 23 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -37.4 | 140.4 | 174.2 | -55.8 | -83.2 | 0 | 0 | 0 | 117.4 | ||||
| 1663 | S | 25.4 | Very low | 22.9 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 88% | 0.881 | 77% | 0.774 | S | S | * | * | -132.1 | 133.4 | 124.9 | -78.8 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 1664 | K | 20.7 | Very low | 22.9 | Very low | 196 Ų | 196 | 134.4 Ų | 134.4 | 85% | 0.852 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 125.4 | 172.8 | -66.8 | 178.3 | -179.9 | 177.6 | 0 | 108.7 | ||
| 1665 | S | 21.6 | Very low | 23.2 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 137.7 | 161 | 47.5 | 0 | 0 | 0 | 0 | 109.6 | ||
| 1666 | S | 20.5 | Very low | 23.9 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 137.3 | 173.8 | 52.3 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1667 | S | 20.9 | Very low | 25.5 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 139.1 | 173.9 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1668 | V | 25.4 | Very low | 27.5 | Very low | 140 Ų | 140 | 128 Ų | 128 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | trans | -117.6 | 132.5 | 154.3 | 177.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 1669 | V | 23.1 | Very low | 29.9 | Very low | 121 Ų | 121 | 120.5 Ų | 120.5 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | trans | -88.8 | 137.8 | -176.9 | 177.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1670 | C | 23.9 | Very low | 32.6 | Very low | 118 Ų | 118 | 115.6 Ų | 115.6 | 80% | 0.797 | 68% | 0.683 | S | S | * | * | trans | -113.1 | 125.4 | 169.2 | 45.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1671 | N | 19.8 | Very low | 34.9 | Very low | 153 Ų | 153 | 113.8 Ų | 113.8 | 82% | 0.818 | 67% | 0.67 | S | S | * | * | trans | -90 | 135.9 | 168.4 | -78.9 | 1.5 | 0 | 0 | 0 | 109.3 | ||||
| 1672 | S | 31.2 | Very low | 37.5 | Very low | 116 Ų | 116 | 107.6 Ų | 107.6 | 81% | 0.811 | 64% | 0.64 | S | S | * | * | trans | -136.5 | 126 | 161.1 | 47.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1673 | N | 24.6 | Very low | 40.5 | Very low | 139 Ų | 139 | 104 Ų | 104 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | trans | -79.7 | 126.9 | 173.3 | -74 | -3.2 | 0 | 0 | 0 | 108.8 | ||||
| 1674 | C | 28.1 | Very low | 43.2 | Very low | 125 Ų | 125 | 100.4 Ų | 100.4 | 85% | 0.845 | 59% | 0.594 | S | S | * | * | trans | -70.8 | 131 | 162.3 | 40.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1675 | H | 28.1 | Very low | 46.2 | Very low | 161 Ų | 161 | 91.4 Ų | 91.4 | 75% | 0.745 | 56% | 0.555 | S | S | * | * | trans | -107.3 | 135.8 | 169 | -84 | -99.7 | 0 | 0 | 0 | 108.4 | S1677 | H1675-S1677 PolarHBondContact O-N 3.24Å; H1675-S1677 VanDerWaalsContact O-N 3.08Å | ||
| 1676 | D | 39.2 | Very low | 49.3 | Very low | 95 Ų | 95 | 85.6 Ų | 85.6 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | trans | -61.7 | 111.7 | 175.2 | -51.8 | -66 | 0 | 0 | 0 | 110 | Q1736 | D1676-Q1736 PolarHBondContact OD1-NE2 3.46Å; D1676-Q1736 VanDerWaalsContact OD1-NE2 3.07Å | ||
| 1677 | S | 54 | Low | 52.6 | Low | 91 Ų | 91 | 83.9 Ų | 83.9 | 64% | 0.636 | 49% | 0.494 | S | S | * | . | trans | -76.9 | 132.7 | 175.9 | 44.4 | 0 | 0 | 0 | 0 | 110.8 | H1675 | H1675-S1677 PolarHBondContact O-N 3.24Å; H1675-S1677 VanDerWaalsContact O-N 3.08Å | ||
| 1678 | L | 63.8 | Low | 55.8 | Low | 73 Ų | 73 | 78.8 Ų | 78.8 | 38% | 0.382 | 46% | 0.458 | S | S | . | . | trans | -75.2 | 149.2 | 176 | -73.1 | 84.3 | 0 | 0 | 0 | 110 | F1680 I1870 | L1678-F1680 PolarHBondContact O-N 3.46Å; L1678-I1870 HydrophobicContact CD2-CB 4.34Å; L1678-I1870 HydrophobicContact CD2-CD1 3.69Å; L1678-I1870 HydrophobicContact CD2-CG2 4.03Å | ||
| 1679 | P | 72.2 | Confident | 58.8 | Low | 22 Ų | 22 | 72.1 Ų | 72.1 | 14% | 0.143 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -72 | -14.5 | -172.7 | 28.2 | -36 | 0 | 0 | 0 | 114.7 | R1730 T1874 | P1679-R1730 HydrophobicContact CB-CB 4.36Å; P1679-R1730 WeakPolarHBondContact CB-O 3.27Å; P1679-T1874 HydrophobicContact CB-CG2 4.31Å; P1679-T1874 HydrophobicContact CG-CG2 3.79Å; P1679-T1874 VanDerWaalsContact CG-OG1 3.27Å; P1679-T1874 WeakPolarHBondContact CG-OG1 3.17Å |
| 1680 | F | 76.8 | Confident | 62.2 | Low | 9 Ų | 9 | 67.1 Ų | 67.1 | 4% | 0.039 | 39% | 0.387 | C | S | . | . | trans | -135 | 140.9 | 173.9 | -63.1 | -89.3 | 0 | 0 | 0 | 109.2 | L1606 N1611 L1678 S1682 A1686 L1727 I1877 | L1606-F1680 HydrophobicContact CD2-CE1 3.98Å; N1611-F1680 WeakPolarHBondContact OD1-CA 3.12Å; L1678-F1680 PolarHBondContact O-N 3.46Å; F1680-S1682 VanDerWaalsContact C-N 3.27Å; F1680-S1682 PolarHBondContact O-N 3.05Å; F1680-A1686 HydrophobicContact CB-CB 4.3Å; F1680-A1686 HydrophobicContact CD1-CB 4.31Å; F1680-A1686 HydrophobicContact CD2-CB 3.83Å; F1680-A1686 HydrophobicContact CE2-CB 4.23Å; F1680-A1686 HydrophobicContact CG-CB 3.9Å; F1680-L1727 HydrophobicContact CE1-CD2 3.95Å; F1680-L1727 HydrophobicContact CZ-CD2 3.82Å; F1680-I1877 HydrophobicContact CE2-CD1 3.65Å; F1680-I1877 HydrophobicContact CZ-CD1 3.64Å; F1680-I1877 HydrophobicContact CZ-CG2 4.4Å | ||
| 1681 | S | 69.7 | Low | 65.3 | Low | 56 Ų | 56 | 63.9 Ų | 63.9 | 39% | 0.392 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -75 | -15.1 | 176.5 | 72 | 0 | 0 | 0 | 0 | 113.9 | N1442 N1611 | N1442-S1681 PolarHBondContact ND2-OG 2.84Å; N1442-S1681 WeakPolarHBondContact OD1-CB 3.35Å; N1442-S1681 PolarHBondContact OD1-OG 3.41Å; N1611-S1681 PolarHBondContact OD1-N 3.23Å |
| 1682 | S | 77.9 | Confident | 68.7 | Low | 19 Ų | 19 | 56.7 Ų | 56.7 | 13% | 0.133 | 32% | 0.323 | C | S | . | . | trans | -145.9 | 127.7 | 179.8 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | F1680 I1684 I1685 A1686 | F1680-S1682 VanDerWaalsContact C-N 3.27Å; F1680-S1682 PolarHBondContact O-N 3.05Å; S1682-I1684 PolarHBondContact O-N 3.15Å; S1682-I1685 PolarHBondContact O-N 3.43Å; S1682-I1685 VanDerWaalsContact O-N 3.09Å; S1682-A1686 PolarHBondContact O-N 2.75Å | ||
| 1683 | E | 82.8 | Confident | 71.6 | Confident | 80 Ų | 80 | 51.2 Ų | 51.2 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -54.1 | -38.8 | 175.6 | -173.5 | 169.3 | -162.6 | 0 | 0 | 112 | I1685 A1686 E1687 H1869 I1870 I1873 | E1683-I1685 VanDerWaalsContact C-N 3.33Å; E1683-I1685 PolarHBondContact O-N 3.09Å; E1683-A1686 CarbonylContact O-C 3.55Å; E1683-A1686 WeakPolarHBondContact O-CA 3.09Å; E1683-A1686 WeakPolarHBondContact O-CB 3.19Å; E1683-A1686 PolarHBondContact O-N 3.04Å; E1683-A1686 VanDerWaalsContact O-N 3.09Å; E1683-E1687 PolarHBondContact O-N 2.89Å; E1683-H1869 IonicContact OE1-CD2 3.13Å; E1683-I1870 HydrophobicContact CG-CG1 4.41Å; E1683-I1873 HydrophobicContact CG-CD1 4.26Å |
| 1684 | I | 83.3 | Confident | 74.7 | Confident | 49 Ų | 49 | 47.1 Ų | 47.1 | 25% | 0.251 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69.8 | -30.3 | -179.3 | -55.6 | 173.1 | 0 | 0 | 0 | 111.6 | Q1462 S1682 A1686 E1687 I1688 | Q1462-I1684 HydrophobicContact CB-CG2 4.08Å; Q1462-I1684 HydrophobicContact CG-CG2 3.85Å; S1682-I1684 PolarHBondContact O-N 3.15Å; I1684-A1686 VanDerWaalsContact C-N 3.34Å; I1684-E1687 PolarHBondContact O-N 3.25Å; I1684-I1688 HydrophobicContact CG2-CD1 4.15Å; I1684-I1688 WeakPolarHBondContact O-CB 3.4Å; I1684-I1688 VanDerWaalsContact O-CG1 3.28Å; I1684-I1688 WeakPolarHBondContact O-CG1 3.42Å; I1684-I1688 PolarHBondContact O-N 2.7Å |
| 1685 | I | 83.5 | Confident | 77.7 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.4 | -36.3 | 172.7 | -62.1 | 176.8 | 0 | 0 | 0 | 109.9 | L1605 S1682 E1683 T1689 | L1605-I1685 HydrophobicContact CB-CG2 4.4Å; S1682-I1685 PolarHBondContact O-N 3.43Å; S1682-I1685 VanDerWaalsContact O-N 3.09Å; E1683-I1685 VanDerWaalsContact C-N 3.33Å; E1683-I1685 PolarHBondContact O-N 3.09Å; I1685-T1689 WeakPolarHBondContact O-CB 3.37Å; I1685-T1689 PolarHBondContact O-N 3.19Å; I1685-T1689 PolarHBondContact O-OG1 2.88Å |
| 1686 | A | 87.3 | Confident | 80.6 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.4 | -42.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1680 S1682 E1683 I1684 T1689 L1690 I1873 I1877 | F1680-A1686 HydrophobicContact CB-CB 4.3Å; F1680-A1686 HydrophobicContact CD1-CB 4.31Å; F1680-A1686 HydrophobicContact CD2-CB 3.83Å; F1680-A1686 HydrophobicContact CE2-CB 4.23Å; F1680-A1686 HydrophobicContact CG-CB 3.9Å; S1682-A1686 PolarHBondContact O-N 2.75Å; E1683-A1686 CarbonylContact O-C 3.55Å; E1683-A1686 WeakPolarHBondContact O-CA 3.09Å; E1683-A1686 WeakPolarHBondContact O-CB 3.19Å; E1683-A1686 PolarHBondContact O-N 3.04Å; E1683-A1686 VanDerWaalsContact O-N 3.09Å; I1684-A1686 VanDerWaalsContact C-N 3.34Å; A1686-T1689 WeakPolarHBondContact O-CB 3.13Å; A1686-T1689 PolarHBondContact O-N 2.72Å; A1686-L1690 WeakPolarHBondContact O-CB 3.47Å; A1686-L1690 PolarHBondContact O-N 2.9Å; A1686-I1873 HydrophobicContact CB-CG2 3.69Å; A1686-I1877 HydrophobicContact CB-CD1 3.91Å; A1686-I1877 WeakPolarHBondContact O-CD1 3.06Å |
| 1687 | E | 88.1 | Confident | 82.9 | Confident | 75 Ų | 75 | 29.9 Ų | 29.9 | 35% | 0.35 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.5 | -46.6 | 172.9 | -71.8 | -163.6 | 128 | 0 | 0 | 112.9 | L1466 E1683 I1684 T1689 L1690 N1691 | L1466-E1687 HydrophobicContact CD2-CB 4.2Å; E1683-E1687 PolarHBondContact O-N 2.89Å; I1684-E1687 PolarHBondContact O-N 3.25Å; E1687-T1689 VanDerWaalsContact C-N 3.32Å; E1687-T1689 PolarHBondContact O-N 3.25Å; E1687-L1690 PolarHBondContact O-N 2.91Å; E1687-N1691 WeakPolarHBondContact O-CB 3.46Å; E1687-N1691 PolarHBondContact O-N 2.86Å; E1687-N1691 PolarHBondContact O-ND2 2.83Å |
| 1688 | I | 87.9 | Confident | 84.4 | Confident | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.015 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63 | -41.6 | 178.1 | -70.2 | 168.9 | 0 | 0 | 0 | 110.2 | L1438 V1465 L1466 I1469 L1605 I1684 T1692 | L1438-I1688 HydrophobicContact CD1-CD1 4.13Å; L1438-I1688 HydrophobicContact CD2-CD1 3.93Å; V1465-I1688 HydrophobicContact CG1-CD1 4.37Å; V1465-I1688 HydrophobicContact CG1-CG1 4.38Å; V1465-I1688 HydrophobicContact CG1-CG2 4.21Å; L1466-I1688 HydrophobicContact CD2-CB 4.5Å; L1466-I1688 HydrophobicContact CD2-CG1 3.73Å; L1466-I1688 HydrophobicContact CG-CG1 4.01Å; I1469-I1688 HydrophobicContact CD1-CG2 4.43Å; L1605-I1688 HydrophobicContact CD1-CG2 3.96Å; I1684-I1688 HydrophobicContact CG2-CD1 4.15Å; I1684-I1688 WeakPolarHBondContact O-CB 3.4Å; I1684-I1688 VanDerWaalsContact O-CG1 3.28Å; I1684-I1688 WeakPolarHBondContact O-CG1 3.42Å; I1684-I1688 PolarHBondContact O-N 2.7Å; I1688-T1692 VanDerWaalsContact O-CB 3.26Å; I1688-T1692 WeakPolarHBondContact O-CB 3.36Å; I1688-T1692 PolarHBondContact O-N 3.33Å; I1688-T1692 PolarHBondContact O-OG1 3.47Å |
| 1689 | T | 89.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59 | -52.9 | 174.5 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | L1602 I1685 A1686 E1687 N1691 T1692 L1693 L1727 I1877 | L1602-T1689 HydrophobicContact CD1-CG2 4.13Å; L1602-T1689 WeakPolarHBondContact CD1-OG1 3.13Å; I1685-T1689 WeakPolarHBondContact O-CB 3.37Å; I1685-T1689 PolarHBondContact O-N 3.19Å; I1685-T1689 PolarHBondContact O-OG1 2.88Å; A1686-T1689 WeakPolarHBondContact O-CB 3.13Å; A1686-T1689 PolarHBondContact O-N 2.72Å; E1687-T1689 VanDerWaalsContact C-N 3.32Å; E1687-T1689 PolarHBondContact O-N 3.25Å; T1689-N1691 PolarHBondContact O-N 3.4Å; T1689-T1692 PolarHBondContact O-N 2.94Å; T1689-L1693 HydrophobicContact CG2-CD1 4.06Å; T1689-L1693 WeakPolarHBondContact O-CG 3.15Å; T1689-L1693 PolarHBondContact O-N 2.72Å; T1689-L1727 HydrophobicContact CG2-CD1 3.84Å; T1689-L1727 HydrophobicContact CG2-CD2 3.79Å; T1689-I1877 HydrophobicContact CG2-CD1 4.25Å; T1689-I1877 HydrophobicContact CG2-CG1 4.44Å; T1689-I1877 HydrophobicContact CG2-CG2 4.1Å |
| 1690 | L | 93.2 | Very high | 85.9 | Confident | 16 Ų | 16 | 21.7 Ų | 21.7 | 8% | 0.084 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.6 | -46.5 | -178 | 179.5 | 55.9 | 0 | 0 | 0 | 112.3 | A1686 E1687 L1693 K1694 I1873 N1876 I1877 E1880 | A1686-L1690 WeakPolarHBondContact O-CB 3.47Å; A1686-L1690 PolarHBondContact O-N 2.9Å; E1687-L1690 PolarHBondContact O-N 2.91Å; L1690-L1693 PolarHBondContact O-N 2.72Å; L1690-K1694 HydrophobicContact CD1-CD 4.3Å; L1690-K1694 HydrophobicContact CG-CD 4.31Å; L1690-K1694 WeakPolarHBondContact O-CB 3.43Å; L1690-K1694 WeakPolarHBondContact O-CG 3.5Å; L1690-K1694 PolarHBondContact O-N 3.49Å; L1690-I1873 HydrophobicContact CD2-CG2 4.33Å; L1690-N1876 HydrophobicContact CD1-CB 3.84Å; L1690-N1876 HydrophobicContact CD2-CB 3.88Å; L1690-I1877 HydrophobicContact CB-CD1 4.37Å; L1690-I1877 HydrophobicContact CB-CG1 3.74Å; L1690-I1877 HydrophobicContact CD1-CG1 4.03Å; L1690-I1877 HydrophobicContact CG-CG1 4.37Å; L1690-E1880 HydrophobicContact CD1-CG 3.88Å |
| 1691 | N | 90.7 | Very high | 86 | Confident | 51 Ų | 51 | 23.9 Ų | 23.9 | 27% | 0.273 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -71.6 | -33.4 | -179.8 | -73 | -75.9 | 0 | 0 | 0 | 111.9 | L1466 I1469 E1687 T1689 K1694 L1695 | L1466-N1691 HydrophobicContact CD2-CB 4.49Å; I1469-N1691 VanDerWaalsContact CG2-C 3.5Å; I1469-N1691 HydrophobicContact CG2-CB 3.81Å; I1469-N1691 VanDerWaalsContact CG2-O 3.23Å; I1469-N1691 WeakPolarHBondContact CG2-O 3.46Å; E1687-N1691 WeakPolarHBondContact O-CB 3.46Å; E1687-N1691 PolarHBondContact O-N 2.86Å; E1687-N1691 PolarHBondContact O-ND2 2.83Å; T1689-N1691 PolarHBondContact O-N 3.4Å; N1691-K1694 PolarHBondContact O-N 2.75Å; N1691-L1695 PolarHBondContact O-N 3.2Å |
| 1692 | T | 90.7 | Very high | 86.3 | Confident | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.012 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.6 | -42.6 | 174.4 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | I1469 L1598 L1602 I1688 T1689 L1695 I1696 | I1469-T1692 WeakPolarHBondContact CD1-OG1 3.14Å; L1598-T1692 HydrophobicContact CB-CG2 4.07Å; L1602-T1692 HydrophobicContact CD2-CG2 4.04Å; I1688-T1692 VanDerWaalsContact O-CB 3.26Å; I1688-T1692 WeakPolarHBondContact O-CB 3.36Å; I1688-T1692 PolarHBondContact O-N 3.33Å; I1688-T1692 PolarHBondContact O-OG1 3.47Å; T1689-T1692 PolarHBondContact O-N 2.94Å; T1692-L1695 WeakPolarHBondContact O-CB 3.29Å; T1692-L1695 PolarHBondContact O-N 2.69Å; T1692-I1696 HydrophobicContact CG2-CD1 4.09Å; T1692-I1696 WeakPolarHBondContact O-CG1 3.3Å; T1692-I1696 PolarHBondContact O-N 2.94Å |
| 1693 | L | 91.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.5 | -44 | 173.8 | -68.9 | 167 | 0 | 0 | 0 | 111.8 | T1689 L1690 L1695 I1696 N1697 L1727 I1877 E1880 V1881 | T1689-L1693 HydrophobicContact CG2-CD1 4.06Å; T1689-L1693 WeakPolarHBondContact O-CG 3.15Å; T1689-L1693 PolarHBondContact O-N 2.72Å; L1690-L1693 PolarHBondContact O-N 2.72Å; L1693-L1695 VanDerWaalsContact C-N 3.25Å; L1693-L1695 PolarHBondContact O-N 2.75Å; L1693-I1696 PolarHBondContact O-N 3.3Å; L1693-I1696 VanDerWaalsContact O-N 3.16Å; L1693-N1697 WeakPolarHBondContact O-CB 3.36Å; L1693-N1697 PolarHBondContact O-N 3.29Å; L1693-N1697 PolarHBondContact O-ND2 2.61Å; L1693-L1727 HydrophobicContact CD1-CD1 4.09Å; L1693-I1877 HydrophobicContact CD1-CG2 4.01Å; L1693-E1880 HydrophobicContact CB-CB 3.86Å; L1693-E1880 HydrophobicContact CD1-CB 4.3Å; L1693-V1881 HydrophobicContact CD1-CG2 3.73Å; L1693-V1881 HydrophobicContact CD2-CG2 4.4Å |
| 1694 | K | 91 | Very high | 86.3 | Confident | 54 Ų | 54 | 22.5 Ų | 22.5 | 24% | 0.235 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.1 | -37.5 | 173.9 | -80.5 | 173.3 | 177 | 178.1 | 0 | 112.6 | L1690 N1691 S1698 E1880 | L1690-K1694 HydrophobicContact CD1-CD 4.3Å; L1690-K1694 HydrophobicContact CG-CD 4.31Å; L1690-K1694 WeakPolarHBondContact O-CB 3.43Å; L1690-K1694 WeakPolarHBondContact O-CG 3.5Å; L1690-K1694 PolarHBondContact O-N 3.49Å; N1691-K1694 PolarHBondContact O-N 2.75Å; K1694-S1698 VanDerWaalsContact O-CB 3.27Å; K1694-S1698 WeakPolarHBondContact O-CB 3.12Å; K1694-S1698 PolarHBondContact O-N 3.06Å; K1694-S1698 PolarHBondContact O-OG 3.27Å; K1694-E1880 WeakPolarHBondContact CE-OE1 3.33Å; K1694-E1880 HydrophobicContact CG-CG 3.95Å; K1694-E1880 VanDerWaalsContact CG-OE1 3.23Å; K1694-E1880 WeakPolarHBondContact CG-OE1 3.32Å |
| 1695 | L | 90.2 | Very high | 86.2 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.6 | -50.6 | 173.2 | 177 | 59.7 | 0 | 0 | 0 | 111.6 | I1469 L1472 L1598 N1691 T1692 L1693 N1697 S1698 L1699 | I1469-L1695 HydrophobicContact CG2-CB 4.08Å; I1469-L1695 HydrophobicContact CG2-CD2 4.18Å; L1472-L1695 HydrophobicContact CB-CD1 3.79Å; L1472-L1695 HydrophobicContact CB-CD2 3.91Å; L1472-L1695 HydrophobicContact CD1-CD2 4.18Å; L1598-L1695 HydrophobicContact CD1-CD2 3.46Å; L1598-L1695 VanDerWaalsContact CD1-CD2 3.46Å; N1691-L1695 PolarHBondContact O-N 3.2Å; T1692-L1695 WeakPolarHBondContact O-CB 3.29Å; T1692-L1695 PolarHBondContact O-N 2.69Å; L1693-L1695 VanDerWaalsContact C-N 3.25Å; L1693-L1695 PolarHBondContact O-N 2.75Å; L1695-N1697 PolarHBondContact O-N 2.61Å; L1695-S1698 CarbonylContact O-C 3.26Å; L1695-S1698 WeakPolarHBondContact O-CA 3.41Å; L1695-S1698 WeakPolarHBondContact O-CB 3.14Å; L1695-S1698 PolarHBondContact O-N 3.3Å; L1695-S1698 VanDerWaalsContact O-N 3.08Å; L1695-L1699 HydrophobicContact CD1-CD1 3.4Å; L1695-L1699 HydrophobicContact CG-CD1 3.82Å; L1695-L1699 WeakPolarHBondContact O-CD1 3.41Å; L1695-L1699 PolarHBondContact O-N 2.7Å |
| 1696 | I | 87.8 | Confident | 86 | Confident | 13 Ų | 13 | 26.3 Ų | 26.3 | 7% | 0.067 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.1 | -47.5 | 179.5 | -68.3 | 166.1 | 0 | 0 | 0 | 110.9 | V1599 T1692 L1693 S1698 L1699 A1700 M1707 L1711 M1720 | V1599-I1696 HydrophobicContact CG2-CD1 4.31Å; T1692-I1696 HydrophobicContact CG2-CD1 4.09Å; T1692-I1696 WeakPolarHBondContact O-CG1 3.3Å; T1692-I1696 PolarHBondContact O-N 2.94Å; L1693-I1696 PolarHBondContact O-N 3.3Å; L1693-I1696 VanDerWaalsContact O-N 3.16Å; I1696-S1698 VanDerWaalsContact C-N 3.3Å; I1696-S1698 PolarHBondContact O-N 2.9Å; I1696-L1699 PolarHBondContact O-N 3.12Å; I1696-L1699 VanDerWaalsContact O-N 3.15Å; I1696-A1700 PolarHBondContact O-N 3.29Å; I1696-M1707 HydrophobicContact CG2-CE 4.05Å; I1696-L1711 HydrophobicContact CG2-CD1 4.06Å; I1696-M1720 HydrophobicContact CD1-CE 4.35Å; I1696-M1720 HydrophobicContact CD1-SD 4.43Å |
| 1697 | N | 88.5 | Confident | 85.8 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.011 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.7 | -35.7 | 175.8 | -69.9 | -23.7 | 0 | 0 | 0 | 112.1 | L1693 L1695 A1700 S1701 E1880 L1883 C1884 Y1887 | L1693-N1697 WeakPolarHBondContact O-CB 3.36Å; L1693-N1697 PolarHBondContact O-N 3.29Å; L1693-N1697 PolarHBondContact O-ND2 2.61Å; L1695-N1697 PolarHBondContact O-N 2.61Å; N1697-A1700 PolarHBondContact O-N 2.89Å; N1697-S1701 PolarHBondContact O-N 2.7Å; N1697-S1701 VanDerWaalsContact O-N 3.15Å; N1697-E1880 PolarHBondContact ND2-O 2.92Å; N1697-E1880 PolarHBondContact ND2-OE2 2.76Å; N1697-L1883 WeakPolarHBondContact ND2-CB 3.28Å; N1697-C1884 WeakPolarHBondContact OD1-CA 3.46Å; N1697-C1884 VanDerWaalsContact OD1-CB 3.27Å; N1697-C1884 WeakPolarHBondContact OD1-CB 3.27Å; N1697-C1884 PolarHBondContact OD1-N 3.28Å; N1697-Y1887 HydrophobicContact CB-CD2 4.48Å; N1697-Y1887 HydrophobicContact CB-CE2 4.31Å |
| 1698 | S | 85.1 | Confident | 85.6 | Confident | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69 | -33.1 | 173.9 | -61.2 | 0 | 0 | 0 | 0 | 112.8 | T1476 K1694 L1695 I1696 S1701 V1702 | T1476-S1698 VanDerWaalsContact CG2-O 3.28Å; T1476-S1698 WeakPolarHBondContact CG2-O 3.48Å; K1694-S1698 VanDerWaalsContact O-CB 3.27Å; K1694-S1698 WeakPolarHBondContact O-CB 3.12Å; K1694-S1698 PolarHBondContact O-N 3.06Å; K1694-S1698 PolarHBondContact O-OG 3.27Å; L1695-S1698 CarbonylContact O-C 3.26Å; L1695-S1698 WeakPolarHBondContact O-CA 3.41Å; L1695-S1698 WeakPolarHBondContact O-CB 3.14Å; L1695-S1698 PolarHBondContact O-N 3.3Å; L1695-S1698 VanDerWaalsContact O-N 3.08Å; I1696-S1698 VanDerWaalsContact C-N 3.3Å; I1696-S1698 PolarHBondContact O-N 2.9Å; S1698-S1701 PolarHBondContact O-OG 2.94Å; S1698-S1701 VanDerWaalsContact O-OG 3.11Å; S1698-V1702 WeakPolarHBondContact O-CG2 3.49Å |
| 1699 | L | 84.3 | Confident | 85.2 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.3 | -41.7 | 172.9 | -87.6 | 80.3 | 0 | 0 | 0 | 110.8 | T1476 I1590 F1596 L1695 I1696 S1701 V1702 H1703 M1707 | T1476-L1699 HydrophobicContact CG2-CB 4.37Å; T1476-L1699 HydrophobicContact CG2-CD1 3.87Å; T1476-L1699 HydrophobicContact CG2-CG 3.91Å; I1590-L1699 HydrophobicContact CG2-CD2 4.45Å; F1596-L1699 HydrophobicContact CZ-CD2 4.34Å; L1695-L1699 HydrophobicContact CD1-CD1 3.4Å; L1695-L1699 HydrophobicContact CG-CD1 3.82Å; L1695-L1699 WeakPolarHBondContact O-CD1 3.41Å; L1695-L1699 PolarHBondContact O-N 2.7Å; I1696-L1699 PolarHBondContact O-N 3.12Å; I1696-L1699 VanDerWaalsContact O-N 3.15Å; L1699-S1701 VanDerWaalsContact C-N 3.3Å; L1699-S1701 PolarHBondContact O-N 3.32Å; L1699-V1702 PolarHBondContact O-N 3.03Å; L1699-V1702 VanDerWaalsContact O-N 3.07Å; L1699-H1703 PolarHBondContact O-N 2.72Å; L1699-M1707 HydrophobicContact CB-CE 3.77Å; L1699-M1707 HydrophobicContact CB-CG 3.94Å; L1699-M1707 HydrophobicContact CB-SD 3.56Å; L1699-M1707 VanDerWaalsContact CB-SD 3.56Å; L1699-M1707 HydrophobicContact CD2-CE 4.41Å; L1699-M1707 HydrophobicContact CD2-SD 3.76Å; L1699-M1707 HydrophobicContact CG-SD 4.31Å |
| 1700 | A | 83.1 | Confident | 84.6 | Confident | 8 Ų | 8 | 29.7 Ų | 29.7 | 7% | 0.066 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.9 | -39.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1696 N1697 V1702 H1703 Q1704 M1707 Y1887 | I1696-A1700 PolarHBondContact O-N 3.29Å; N1697-A1700 PolarHBondContact O-N 2.89Å; A1700-V1702 PolarHBondContact O-N 3.08Å; A1700-H1703 CarbonylContact O-C 3.57Å; A1700-H1703 PolarHBondContact O-N 3.25Å; A1700-Q1704 PolarHBondContact O-N 2.99Å; A1700-M1707 HydrophobicContact CB-CB 4.38Å; A1700-M1707 HydrophobicContact CB-CG 4.49Å; A1700-Y1887 HydrophobicContact CB-CD1 4.15Å; A1700-Y1887 HydrophobicContact CB-CD2 4.15Å; A1700-Y1887 HydrophobicContact CB-CG 3.79Å |
| 1701 | S | 79.9 | Confident | 83.8 | Confident | 55 Ų | 55 | 29.4 Ų | 29.4 | 39% | 0.385 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -9.2 | 176.5 | 67.9 | 0 | 0 | 0 | 0 | 115.1 | N1697 S1698 L1699 | N1697-S1701 PolarHBondContact O-N 2.7Å; N1697-S1701 VanDerWaalsContact O-N 3.15Å; S1698-S1701 PolarHBondContact O-OG 2.94Å; S1698-S1701 VanDerWaalsContact O-OG 3.11Å; L1699-S1701 VanDerWaalsContact C-N 3.3Å; L1699-S1701 PolarHBondContact O-N 3.32Å |
| 1702 | V | 76.4 | Confident | 83 | Confident | 15 Ų | 15 | 28.2 Ų | 28.2 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -39.8 | 171.5 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | T1476 L1587 S1698 L1699 A1700 | T1476-V1702 HydrophobicContact CG2-CG2 3.63Å; T1476-V1702 WeakPolarHBondContact O-CG2 3.45Å; L1587-V1702 HydrophobicContact CD1-CG1 4.43Å; S1698-V1702 WeakPolarHBondContact O-CG2 3.49Å; L1699-V1702 PolarHBondContact O-N 3.03Å; L1699-V1702 VanDerWaalsContact O-N 3.07Å; A1700-V1702 PolarHBondContact O-N 3.08Å |
| 1703 | H | 77.4 | Confident | 82.3 | Confident | 57 Ų | 57 | 29.7 Ų | 29.7 | 26% | 0.264 | 18% | 0.177 | S | C | . | . | trans | -159.8 | 101.9 | 176.5 | -164.8 | -21.1 | 0 | 0 | 0 | 110.4 | L1587 L1699 A1700 T1706 M1707 | L1587-H1703 HydrophobicContact CD2-CB 3.26Å; L1699-H1703 PolarHBondContact O-N 2.72Å; A1700-H1703 CarbonylContact O-C 3.57Å; A1700-H1703 PolarHBondContact O-N 3.25Å; H1703-T1706 PolarHBondContact CD2-OG1 3.04Å; H1703-T1706 VanDerWaalsContact CD2-OG1 3.27Å; H1703-T1706 PolarHBondContact NE2-OG1 3.37Å; H1703-M1707 PolarHBondContact O-N 3.02Å | ||
| 1704 | Q | 82.8 | Confident | 81.5 | Confident | 54 Ų | 54 | 38 Ų | 38 | 25% | 0.252 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.7 | -54.7 | -176.4 | -175.3 | 175.7 | -66.7 | 0 | 0 | 112.3 | A1700 T1706 M1707 Q1708 V1890 | A1700-Q1704 PolarHBondContact O-N 2.99Å; Q1704-T1706 PolarHBondContact O-N 3.42Å; Q1704-M1707 PolarHBondContact O-N 3.01Å; Q1704-M1707 VanDerWaalsContact O-N 3.13Å; Q1704-Q1708 HydrophobicContact CG-CG 4.32Å; Q1704-Q1708 WeakPolarHBondContact O-CG 3.24Å; Q1704-Q1708 PolarHBondContact O-N 3.42Å; Q1704-V1890 HydrophobicContact CG-CG1 4.1Å; Q1704-V1890 PolarHBondContact NE2-O 3.42Å |
| 1705 | N | 81.4 | Confident | 80.8 | Confident | 100 Ų | 100 | 41.4 Ų | 41.4 | 54% | 0.535 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.1 | -48.9 | -173.5 | -47.7 | 55.5 | 0 | 0 | 0 | 112.5 | M1707 Q1708 T1709 | N1705-M1707 VanDerWaalsContact C-N 3.28Å; N1705-M1707 PolarHBondContact O-N 3.34Å; N1705-Q1708 WeakPolarHBondContact O-CB 3.35Å; N1705-Q1708 PolarHBondContact O-N 3.31Å; N1705-Q1708 VanDerWaalsContact O-N 3.15Å; N1705-T1709 PolarHBondContact O-N 2.82Å; N1705-T1709 PolarHBondContact O-OG1 2.9Å; N1705-T1709 VanDerWaalsContact O-OG1 3.06Å |
| 1706 | T | 79.3 | Confident | 80.2 | Confident | 37 Ų | 37 | 43.5 Ų | 43.5 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.3 | -40.1 | 178.5 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | L1587 H1703 Q1704 I1710 | L1587-T1706 HydrophobicContact CD2-CG2 4.32Å; H1703-T1706 PolarHBondContact CD2-OG1 3.04Å; H1703-T1706 VanDerWaalsContact CD2-OG1 3.27Å; H1703-T1706 PolarHBondContact NE2-OG1 3.37Å; Q1704-T1706 PolarHBondContact O-N 3.42Å; T1706-I1710 HydrophobicContact CG2-CD1 3.86Å; T1706-I1710 WeakPolarHBondContact O-CD1 3.29Å; T1706-I1710 VanDerWaalsContact O-CG1 3.24Å; T1706-I1710 WeakPolarHBondContact O-CG1 3.21Å; T1706-I1710 PolarHBondContact O-N 3.14Å; T1706-I1710 VanDerWaalsContact O-N 3.11Å |
| 1707 | M | 81.6 | Confident | 79.7 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.02 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70 | -39 | 176.1 | -77.8 | -64.6 | -65.8 | 0 | 0 | 112.4 | F1596 I1696 L1699 A1700 H1703 Q1704 N1705 I1710 L1711 | F1596-M1707 HydrophobicContact CE1-CE 4Å; F1596-M1707 HydrophobicContact CE1-SD 3.94Å; F1596-M1707 HydrophobicContact CZ-CE 4.28Å; F1596-M1707 HydrophobicContact CZ-SD 3.61Å; I1696-M1707 HydrophobicContact CG2-CE 4.05Å; L1699-M1707 HydrophobicContact CB-CE 3.77Å; L1699-M1707 HydrophobicContact CB-CG 3.94Å; L1699-M1707 HydrophobicContact CB-SD 3.56Å; L1699-M1707 VanDerWaalsContact CB-SD 3.56Å; L1699-M1707 HydrophobicContact CD2-CE 4.41Å; L1699-M1707 HydrophobicContact CD2-SD 3.76Å; L1699-M1707 HydrophobicContact CG-SD 4.31Å; A1700-M1707 HydrophobicContact CB-CB 4.38Å; A1700-M1707 HydrophobicContact CB-CG 4.49Å; H1703-M1707 PolarHBondContact O-N 3.02Å; Q1704-M1707 PolarHBondContact O-N 3.01Å; Q1704-M1707 VanDerWaalsContact O-N 3.13Å; N1705-M1707 VanDerWaalsContact C-N 3.28Å; N1705-M1707 PolarHBondContact O-N 3.34Å; M1707-I1710 PolarHBondContact O-N 3.46Å; M1707-L1711 HydrophobicContact CE-CD1 3.93Å; M1707-L1711 HydrophobicContact CE-CD2 4.43Å; M1707-L1711 HydrophobicContact CE-CG 4.15Å; M1707-L1711 VanDerWaalsContact O-CB 3.32Å; M1707-L1711 WeakPolarHBondContact O-CB 3.43Å; M1707-L1711 VanDerWaalsContact O-CG 3.29Å; M1707-L1711 WeakPolarHBondContact O-CG 3.22Å; M1707-L1711 PolarHBondContact O-N 3.02Å |
| 1708 | Q | 84.9 | Confident | 79.3 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.2 | -41 | 173.8 | -72.8 | 179.5 | -13.6 | 0 | 0 | 112.1 | Q1704 N1705 G1712 Y1887 L1888 V1890 N1892 N1895 | Q1704-Q1708 HydrophobicContact CG-CG 4.32Å; Q1704-Q1708 WeakPolarHBondContact O-CG 3.24Å; Q1704-Q1708 PolarHBondContact O-N 3.42Å; N1705-Q1708 WeakPolarHBondContact O-CB 3.35Å; N1705-Q1708 PolarHBondContact O-N 3.31Å; N1705-Q1708 VanDerWaalsContact O-N 3.15Å; Q1708-G1712 WeakPolarHBondContact O-CA 3.42Å; Q1708-G1712 PolarHBondContact O-N 3.43Å; Q1708-Y1887 PolarHBondContact NE2-O 3.42Å; Q1708-L1888 WeakPolarHBondContact CG-O 3.45Å; Q1708-L1888 PolarHBondContact NE2-O 3.24Å; Q1708-V1890 PolarHBondContact NE2-O 3.04Å; Q1708-N1892 PolarHBondContact OE1-ND2 2.92Å; Q1708-N1895 PolarHBondContact O-ND2 2.74Å |
| 1709 | T | 80.4 | Confident | 79.2 | Confident | 104 Ų | 104 | 48.7 Ų | 48.7 | 64% | 0.638 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -65.1 | -42.5 | 175.6 | -52.1 | 0 | 0 | 0 | 0 | 112.2 | N1705 G1713 | N1705-T1709 PolarHBondContact O-N 2.82Å; N1705-T1709 PolarHBondContact O-OG1 2.9Å; N1705-T1709 VanDerWaalsContact O-OG1 3.06Å; T1709-G1713 PolarHBondContact O-N 3.19Å; T1709-G1713 VanDerWaalsContact O-N 3.15Å |
| 1710 | I | 76 | Confident | 79.3 | Confident | 36 Ų | 36 | 48.8 Ų | 48.8 | 19% | 0.185 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -74.5 | -42.2 | -177.6 | -62.1 | 161.6 | 0 | 0 | 0 | 111.5 | S1591 F1596 T1706 M1707 G1712 I1716 | S1591-I1710 WeakPolarHBondContact OG-CD1 3.43Å; F1596-I1710 HydrophobicContact CD1-CG2 3.78Å; F1596-I1710 HydrophobicContact CD2-CG2 3.91Å; F1596-I1710 HydrophobicContact CE1-CB 4.31Å; F1596-I1710 HydrophobicContact CE1-CG2 3.58Å; F1596-I1710 HydrophobicContact CE2-CD1 3.83Å; F1596-I1710 HydrophobicContact CE2-CG2 3.73Å; F1596-I1710 HydrophobicContact CG-CG2 3.95Å; F1596-I1710 HydrophobicContact CZ-CB 4.1Å; F1596-I1710 HydrophobicContact CZ-CD1 3.8Å; F1596-I1710 HydrophobicContact CZ-CG2 3.55Å; T1706-I1710 HydrophobicContact CG2-CD1 3.86Å; T1706-I1710 WeakPolarHBondContact O-CD1 3.29Å; T1706-I1710 VanDerWaalsContact O-CG1 3.24Å; T1706-I1710 WeakPolarHBondContact O-CG1 3.21Å; T1706-I1710 PolarHBondContact O-N 3.14Å; T1706-I1710 VanDerWaalsContact O-N 3.11Å; M1707-I1710 PolarHBondContact O-N 3.46Å; I1710-G1712 VanDerWaalsContact C-N 3.34Å; I1710-I1716 HydrophobicContact CG2-CD1 4.05Å |
| 1711 | L | 77.1 | Confident | 79.3 | Confident | 9 Ų | 9 | 50.2 Ų | 50.2 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -74.4 | -24.5 | 176.9 | -61 | -176.3 | 0 | 0 | 0 | 112.5 | F1596 I1696 M1707 I1716 C1717 M1720 L1888 | F1596-L1711 HydrophobicContact CD1-CD2 4.23Å; F1596-L1711 HydrophobicContact CE1-CD2 3.99Å; I1696-L1711 HydrophobicContact CG2-CD1 4.06Å; M1707-L1711 HydrophobicContact CE-CD1 3.93Å; M1707-L1711 HydrophobicContact CE-CD2 4.43Å; M1707-L1711 HydrophobicContact CE-CG 4.15Å; M1707-L1711 VanDerWaalsContact O-CB 3.32Å; M1707-L1711 WeakPolarHBondContact O-CB 3.43Å; M1707-L1711 VanDerWaalsContact O-CG 3.29Å; M1707-L1711 WeakPolarHBondContact O-CG 3.22Å; M1707-L1711 PolarHBondContact O-N 3.02Å; L1711-I1716 HydrophobicContact CD2-CG2 4.05Å; L1711-C1717 WeakPolarHBondContact O-CA 3.49Å; L1711-C1717 VanDerWaalsContact O-CB 3.22Å; L1711-C1717 WeakPolarHBondContact O-CB 3.43Å; L1711-C1717 PolarHBondContact O-N 3.02Å; L1711-C1717 VanDerWaalsContact O-N 3.15Å; L1711-M1720 HydrophobicContact CD2-CG 4.07Å; L1711-M1720 HydrophobicContact CD2-SD 4.42Å; L1711-L1888 HydrophobicContact CB-CD1 3.75Å; L1711-L1888 HydrophobicContact CD1-CD1 4.42Å |
| 1712 | G | 72.9 | Confident | 79.5 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 27% | 0.268 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -81.8 | -15.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q1708 I1710 E1714 | Q1708-G1712 WeakPolarHBondContact O-CA 3.42Å; Q1708-G1712 PolarHBondContact O-N 3.43Å; I1710-G1712 VanDerWaalsContact C-N 3.34Å; G1712-E1714 PolarHBondContact O-N 3.15Å |
| 1713 | G | 76.3 | Confident | 80.1 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 35% | 0.351 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -60.5 | 129 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | T1709 L1715 I1716 C1717 | T1709-G1713 PolarHBondContact O-N 3.19Å; T1709-G1713 VanDerWaalsContact O-N 3.15Å; G1713-L1715 PolarHBondContact O-N 3.24Å; G1713-I1716 PolarHBondContact O-N 3.08Å; G1713-C1717 PolarHBondContact O-N 2.95Å |
| 1714 | E | 74.2 | Confident | 80.6 | Confident | 174 Ų | 174 | 48.6 Ų | 48.6 | 81% | 0.813 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -32.9 | -62.1 | -162.8 | -61.5 | 179.3 | 172.7 | 0 | 0 | 115.4 | G1712 C1717 L1718 | G1712-E1714 PolarHBondContact O-N 3.15Å; E1714-C1717 PolarHBondContact O-N 3.2Å; E1714-L1718 VanDerWaalsContact O-CG 3.28Å; E1714-L1718 WeakPolarHBondContact O-CG 3.43Å; E1714-L1718 PolarHBondContact O-N 3.1Å |
| 1715 | L | 76.8 | Confident | 80.7 | Confident | 126 Ų | 126 | 47.4 Ų | 47.4 | 66% | 0.66 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65 | -42.6 | -177.5 | 179.3 | 60.9 | 0 | 0 | 0 | 112.9 | G1713 L1719 | G1713-L1715 PolarHBondContact O-N 3.24Å; L1715-L1719 HydrophobicContact CD1-CD1 4.41Å; L1715-L1719 HydrophobicContact CG-CD1 4.31Å; L1715-L1719 VanDerWaalsContact O-CG 3.29Å; L1715-L1719 WeakPolarHBondContact O-CG 3.38Å; L1715-L1719 PolarHBondContact O-N 3.47Å; L1715-L1719 VanDerWaalsContact O-N 3.16Å |
| 1716 | I | 77.3 | Confident | 80.9 | Confident | 47 Ų | 47 | 45.5 Ų | 45.5 | 24% | 0.241 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70.6 | -38.1 | -178.8 | -58.5 | 179.9 | 0 | 0 | 0 | 109.9 | V1599 I1710 L1711 G1713 L1719 M1720 | V1599-I1716 HydrophobicContact CG1-CG2 4.44Å; I1710-I1716 HydrophobicContact CG2-CD1 4.05Å; L1711-I1716 HydrophobicContact CD2-CG2 4.05Å; G1713-I1716 PolarHBondContact O-N 3.08Å; I1716-L1719 PolarHBondContact O-N 2.91Å; I1716-M1720 HydrophobicContact CG2-CG 4.25Å; I1716-M1720 WeakPolarHBondContact O-CB 3.41Å; I1716-M1720 WeakPolarHBondContact O-CG 3.39Å; I1716-M1720 PolarHBondContact O-N 2.88Å |
| 1717 | C | 78.8 | Confident | 81.4 | Confident | 21 Ų | 21 | 43.7 Ų | 43.7 | 14% | 0.142 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62 | -45 | 175.8 | -172 | 0 | 0 | 0 | 0 | 111.9 | L1711 G1713 E1714 M1720 R1721 | L1711-C1717 WeakPolarHBondContact O-CA 3.49Å; L1711-C1717 VanDerWaalsContact O-CB 3.22Å; L1711-C1717 WeakPolarHBondContact O-CB 3.43Å; L1711-C1717 PolarHBondContact O-N 3.02Å; L1711-C1717 VanDerWaalsContact O-N 3.15Å; G1713-C1717 PolarHBondContact O-N 2.95Å; E1714-C1717 PolarHBondContact O-N 3.2Å; C1717-M1720 PolarHBondContact O-N 3.38Å; C1717-R1721 VanDerWaalsContact O-CB 3.25Å; C1717-R1721 WeakPolarHBondContact O-CB 3.37Å; C1717-R1721 PolarHBondContact O-N 3.3Å |
| 1718 | L | 78.7 | Confident | 81.6 | Confident | 81 Ų | 81 | 43.7 Ų | 43.7 | 42% | 0.424 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.8 | -46.9 | 176.5 | -70.4 | 170.7 | 0 | 0 | 0 | 111.7 | E1714 H1722 | E1714-L1718 VanDerWaalsContact O-CG 3.28Å; E1714-L1718 WeakPolarHBondContact O-CG 3.43Å; E1714-L1718 PolarHBondContact O-N 3.1Å; L1718-H1722 VanDerWaalsContact O-CG 3.24Å; L1718-H1722 PolarHBondContact O-N 2.97Å |
| 1719 | L | 84.1 | Confident | 81.5 | Confident | 25 Ų | 25 | 45.8 Ų | 45.8 | 13% | 0.131 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.4 | -49 | 176.7 | -68.6 | 170.5 | 0 | 0 | 0 | 111.8 | V1599 P1600 Y1603 L1715 I1716 H1722 I1723 | V1599-L1719 HydrophobicContact CG1-CB 4.02Å; P1600-L1719 HydrophobicContact CG-CD1 4.3Å; Y1603-L1719 HydrophobicContact CD1-CD2 3.36Å; Y1603-L1719 HydrophobicContact CD2-CD2 4.05Å; Y1603-L1719 HydrophobicContact CE1-CD2 3.54Å; Y1603-L1719 HydrophobicContact CE2-CD2 4.23Å; Y1603-L1719 HydrophobicContact CG-CD2 3.62Å; L1715-L1719 HydrophobicContact CD1-CD1 4.41Å; L1715-L1719 HydrophobicContact CG-CD1 4.31Å; L1715-L1719 VanDerWaalsContact O-CG 3.29Å; L1715-L1719 WeakPolarHBondContact O-CG 3.38Å; L1715-L1719 PolarHBondContact O-N 3.47Å; L1715-L1719 VanDerWaalsContact O-N 3.16Å; I1716-L1719 PolarHBondContact O-N 2.91Å; L1719-H1722 PolarHBondContact O-N 3.23Å; L1719-I1723 VanDerWaalsContact O-CG1 3.32Å; L1719-I1723 WeakPolarHBondContact O-CG1 3.27Å; L1719-I1723 PolarHBondContact O-N 3.23Å |
| 1720 | M | 85.5 | Confident | 81.6 | Confident | 6 Ų | 6 | 41.6 Ų | 41.6 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 178.5 | -78 | -61.6 | -63.9 | 0 | 0 | 112.1 | V1599 I1696 L1711 I1716 C1717 H1722 I1723 L1724 | V1599-M1720 HydrophobicContact CB-SD 4.41Å; V1599-M1720 HydrophobicContact CG1-CG 3.96Å; V1599-M1720 HydrophobicContact CG1-SD 3.74Å; V1599-M1720 HydrophobicContact CG2-SD 3.75Å; I1696-M1720 HydrophobicContact CD1-CE 4.35Å; I1696-M1720 HydrophobicContact CD1-SD 4.43Å; L1711-M1720 HydrophobicContact CD2-CG 4.07Å; L1711-M1720 HydrophobicContact CD2-SD 4.42Å; I1716-M1720 HydrophobicContact CG2-CG 4.25Å; I1716-M1720 WeakPolarHBondContact O-CB 3.41Å; I1716-M1720 WeakPolarHBondContact O-CG 3.39Å; I1716-M1720 PolarHBondContact O-N 2.88Å; C1717-M1720 PolarHBondContact O-N 3.38Å; M1720-H1722 VanDerWaalsContact C-N 3.29Å; M1720-H1722 PolarHBondContact O-N 2.69Å; M1720-I1723 PolarHBondContact O-N 2.92Å; M1720-I1723 HydrophobicContact SD-CD1 4.34Å; M1720-L1724 HydrophobicContact CE-CD1 4.38Å; M1720-L1724 WeakPolarHBondContact O-CB 3.25Å; M1720-L1724 VanDerWaalsContact O-CG 3.22Å; M1720-L1724 WeakPolarHBondContact O-CG 3.26Å; M1720-L1724 PolarHBondContact O-N 2.85Å |
| 1721 | R | 82.7 | Confident | 81.9 | Confident | 37 Ų | 37 | 40 Ų | 40 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.8 | -42.2 | 175.8 | -173.5 | -167.8 | 62.2 | -176 | -9 | 111.1 | C1717 I1725 C1901 | C1717-R1721 VanDerWaalsContact O-CB 3.25Å; C1717-R1721 WeakPolarHBondContact O-CB 3.37Å; C1717-R1721 PolarHBondContact O-N 3.3Å; R1721-I1725 HydrophobicContact CG-CD1 3.87Å; R1721-I1725 WeakPolarHBondContact O-CB 3.31Å; R1721-I1725 VanDerWaalsContact O-CG1 3.25Å; R1721-I1725 WeakPolarHBondContact O-CG1 3.37Å; R1721-I1725 PolarHBondContact O-N 2.87Å; R1721-C1901 WeakPolarHBondContact CD-O 3.17Å; R1721-C1901 PolarHBondContact NH1-O 3.08Å |
| 1722 | H | 84.4 | Confident | 81.8 | Confident | 91 Ų | 91 | 40.9 Ų | 40.9 | 42% | 0.421 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.2 | -38 | 177.2 | -67.8 | 175.3 | 0 | 0 | 0 | 112.9 | Y1603 L1718 L1719 M1720 N1726 | Y1603-H1722 HydrophobicContact CD2-CB 4.45Å; Y1603-H1722 HydrophobicContact CE2-CB 3.83Å; L1718-H1722 VanDerWaalsContact O-CG 3.24Å; L1718-H1722 PolarHBondContact O-N 2.97Å; L1719-H1722 PolarHBondContact O-N 3.23Å; M1720-H1722 VanDerWaalsContact C-N 3.29Å; M1720-H1722 PolarHBondContact O-N 2.69Å; H1722-N1726 WeakPolarHBondContact O-CB 3.43Å; H1722-N1726 PolarHBondContact O-N 2.8Å; H1722-N1726 PolarHBondContact O-ND2 3.01Å |
| 1723 | I | 88.3 | Confident | 81.2 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.2 | -53.9 | 171.5 | -70.5 | 164.3 | 0 | 0 | 0 | 110.3 | V1599 L1602 Y1603 L1606 L1719 M1720 I1725 N1726 L1727 | V1599-I1723 HydrophobicContact CG1-CD1 3.97Å; L1602-I1723 HydrophobicContact CB-CD1 4.29Å; L1602-I1723 HydrophobicContact CD2-CD1 4.34Å; L1602-I1723 HydrophobicContact CD2-CG2 3.94Å; L1602-I1723 HydrophobicContact CG-CD1 4.24Å; L1602-I1723 HydrophobicContact CG-CG2 4.3Å; Y1603-I1723 HydrophobicContact CD2-CG1 4.19Å; L1606-I1723 HydrophobicContact CD1-CB 4.49Å; L1606-I1723 HydrophobicContact CD1-CG1 4.37Å; L1606-I1723 HydrophobicContact CD1-CG2 3.9Å; L1719-I1723 VanDerWaalsContact O-CG1 3.32Å; L1719-I1723 WeakPolarHBondContact O-CG1 3.27Å; L1719-I1723 PolarHBondContact O-N 3.23Å; M1720-I1723 PolarHBondContact O-N 2.92Å; M1720-I1723 HydrophobicContact SD-CD1 4.34Å; I1723-I1725 PolarHBondContact O-N 2.78Å; I1723-N1726 PolarHBondContact O-N 3.13Å; I1723-L1727 HydrophobicContact CG2-CD1 3.7Å; I1723-L1727 HydrophobicContact CG2-CG 4.3Å; I1723-L1727 WeakPolarHBondContact O-CG 3.32Å; I1723-L1727 PolarHBondContact O-N 3.45Å |
| 1724 | L | 89 | Confident | 79.8 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.2 | -43.1 | -175.5 | -65.5 | 165.3 | 0 | 0 | 0 | 111.7 | M1720 N1726 L1727 L1728 V1881 C1884 I1885 L1907 | M1720-L1724 HydrophobicContact CE-CD1 4.38Å; M1720-L1724 WeakPolarHBondContact O-CB 3.25Å; M1720-L1724 VanDerWaalsContact O-CG 3.22Å; M1720-L1724 WeakPolarHBondContact O-CG 3.26Å; M1720-L1724 PolarHBondContact O-N 2.85Å; L1724-N1726 PolarHBondContact O-N 3.23Å; L1724-L1727 PolarHBondContact O-N 3.24Å; L1724-L1728 WeakPolarHBondContact O-CG 3.13Å; L1724-L1728 PolarHBondContact O-N 2.98Å; L1724-V1881 HydrophobicContact CD2-CB 4.44Å; L1724-V1881 HydrophobicContact CD2-CG1 3.9Å; L1724-V1881 HydrophobicContact CD2-CG2 4.32Å; L1724-C1884 HydrophobicContact CD2-CB 4.32Å; L1724-I1885 HydrophobicContact CD1-CG1 4.04Å; L1724-I1885 HydrophobicContact CD2-CG1 4.24Å; L1724-L1907 HydrophobicContact CB-CD1 4.3Å; L1724-L1907 HydrophobicContact CB-CD2 4.38Å; L1724-L1907 HydrophobicContact CD1-CD2 4.43Å |
| 1725 | I | 85.7 | Confident | 78 | Confident | 30 Ų | 30 | 45.5 Ų | 45.5 | 15% | 0.154 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.1 | -41.1 | 174.8 | -69.2 | 172.6 | 0 | 0 | 0 | 111.6 | R1721 I1723 T1729 L1907 | R1721-I1725 HydrophobicContact CG-CD1 3.87Å; R1721-I1725 WeakPolarHBondContact O-CB 3.31Å; R1721-I1725 VanDerWaalsContact O-CG1 3.25Å; R1721-I1725 WeakPolarHBondContact O-CG1 3.37Å; R1721-I1725 PolarHBondContact O-N 2.87Å; I1723-I1725 PolarHBondContact O-N 2.78Å; I1725-T1729 VanDerWaalsContact O-CB 3.31Å; I1725-T1729 WeakPolarHBondContact O-CB 3.37Å; I1725-T1729 PolarHBondContact O-N 2.9Å; I1725-T1729 PolarHBondContact O-OG1 3.4Å; I1725-L1907 HydrophobicContact CG1-CB 4.32Å; I1725-L1907 HydrophobicContact CG1-CD1 3.96Å |
| 1726 | N | 84.4 | Confident | 75.7 | Confident | 59 Ų | 59 | 46.5 Ų | 46.5 | 32% | 0.316 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.4 | -46.3 | 175.7 | -93.4 | -84.9 | 0 | 0 | 0 | 111.7 | H1722 I1723 L1724 T1729 R1730 | H1722-N1726 WeakPolarHBondContact O-CB 3.43Å; H1722-N1726 PolarHBondContact O-N 2.8Å; H1722-N1726 PolarHBondContact O-ND2 3.01Å; I1723-N1726 PolarHBondContact O-N 3.13Å; L1724-N1726 PolarHBondContact O-N 3.23Å; N1726-T1729 PolarHBondContact O-N 3.49Å; N1726-R1730 WeakPolarHBondContact O-CG 3.08Å; N1726-R1730 PolarHBondContact O-N 2.72Å; N1726-R1730 PolarHBondContact OD1-NH2 3.26Å |
| 1727 | L | 89.9 | Confident | 73.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.9 | -42.4 | -177.8 | -68.2 | 176.5 | 0 | 0 | 0 | 112 | L1606 F1680 T1689 L1693 I1723 L1724 T1729 R1730 C1731 I1877 V1881 | L1606-L1727 HydrophobicContact CD1-CD1 4.3Å; L1606-L1727 HydrophobicContact CD1-CD2 3.86Å; L1606-L1727 HydrophobicContact CD1-CG 4Å; L1606-L1727 HydrophobicContact CD2-CD2 3.9Å; F1680-L1727 HydrophobicContact CE1-CD2 3.95Å; F1680-L1727 HydrophobicContact CZ-CD2 3.82Å; T1689-L1727 HydrophobicContact CG2-CD1 3.84Å; T1689-L1727 HydrophobicContact CG2-CD2 3.79Å; L1693-L1727 HydrophobicContact CD1-CD1 4.09Å; I1723-L1727 HydrophobicContact CG2-CD1 3.7Å; I1723-L1727 HydrophobicContact CG2-CG 4.3Å; I1723-L1727 WeakPolarHBondContact O-CG 3.32Å; I1723-L1727 PolarHBondContact O-N 3.45Å; L1724-L1727 PolarHBondContact O-N 3.24Å; L1727-T1729 VanDerWaalsContact C-N 3.34Å; L1727-T1729 PolarHBondContact O-N 3.47Å; L1727-R1730 PolarHBondContact O-N 2.7Å; L1727-C1731 VanDerWaalsContact O-CB 3.28Å; L1727-C1731 WeakPolarHBondContact O-CB 3.38Å; L1727-C1731 PolarHBondContact O-N 2.71Å; L1727-C1731 PolarHBondContact O-SG 2.79Å; L1727-I1877 HydrophobicContact CD1-CG2 4.45Å; L1727-I1877 HydrophobicContact CD2-CG2 4.31Å; L1727-V1881 HydrophobicContact CB-CG2 3.87Å; L1727-V1881 HydrophobicContact CD1-CG2 3.76Å; L1727-V1881 HydrophobicContact CG-CG2 4.48Å |
| 1728 | L | 86.7 | Confident | 70.5 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 171.4 | -69.2 | 179.1 | 0 | 0 | 0 | 111.5 | L1724 R1730 V1732 L1878 V1881 I1885 L1907 R1910 L1911 | L1724-L1728 WeakPolarHBondContact O-CG 3.13Å; L1724-L1728 PolarHBondContact O-N 2.98Å; L1728-R1730 VanDerWaalsContact C-N 3.28Å; L1728-R1730 PolarHBondContact O-N 2.82Å; L1728-V1732 WeakPolarHBondContact O-CB 3.25Å; L1728-V1732 VanDerWaalsContact O-CG2 3.27Å; L1728-V1732 WeakPolarHBondContact O-CG2 3.1Å; L1728-V1732 PolarHBondContact O-N 2.78Å; L1728-L1878 HydrophobicContact CD2-CD1 3.48Å; L1728-L1878 VanDerWaalsContact CD2-CD1 3.48Å; L1728-V1881 HydrophobicContact CD2-CG1 3.63Å; L1728-V1881 HydrophobicContact CG-CG1 3.86Å; L1728-I1885 HydrophobicContact CD1-CD1 4.15Å; L1728-L1907 HydrophobicContact CD1-CD1 3.57Å; L1728-R1910 HydrophobicContact CB-CG 4.41Å; L1728-R1910 HydrophobicContact CD1-CB 3.86Å; L1728-R1910 HydrophobicContact CD1-CG 4.47Å; L1728-L1911 HydrophobicContact CD1-CD2 4.16Å; L1728-L1911 HydrophobicContact CD1-CG 4.36Å; L1728-L1911 HydrophobicContact CD2-CD2 4.37Å |
| 1729 | T | 82.6 | Confident | 67.9 | Low | 51 Ų | 51 | 56.3 Ų | 56.3 | 31% | 0.313 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.7 | -27.2 | -179.5 | -54.9 | 0 | 0 | 0 | 0 | 113 | I1725 N1726 L1727 R1910 | I1725-T1729 VanDerWaalsContact O-CB 3.31Å; I1725-T1729 WeakPolarHBondContact O-CB 3.37Å; I1725-T1729 PolarHBondContact O-N 2.9Å; I1725-T1729 PolarHBondContact O-OG1 3.4Å; N1726-T1729 PolarHBondContact O-N 3.49Å; L1727-T1729 VanDerWaalsContact C-N 3.34Å; L1727-T1729 PolarHBondContact O-N 3.47Å; T1729-R1910 PolarHBondContact OG1-NH2 2.72Å; T1729-R1910 VanDerWaalsContact OG1-NH2 3.15Å |
| 1730 | R | 81.5 | Confident | 64.9 | Low | 15 Ų | 15 | 63 Ų | 63 | 6% | 0.057 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -85.8 | -45.2 | 176 | -69.2 | 175.1 | -154.3 | -165.7 | 4.2 | 112.8 | L1606 N1611 P1679 N1726 L1727 L1728 | L1606-R1730 PolarHBondContact O-NH1 3.05Å; L1606-R1730 PolarHBondContact O-NH2 2.96Å; N1611-R1730 PolarHBondContact O-NE 3.16Å; N1611-R1730 PolarHBondContact O-NH1 2.94Å; P1679-R1730 HydrophobicContact CB-CB 4.36Å; P1679-R1730 WeakPolarHBondContact CB-O 3.27Å; N1726-R1730 WeakPolarHBondContact O-CG 3.08Å; N1726-R1730 PolarHBondContact O-N 2.72Å; N1726-R1730 PolarHBondContact OD1-NH2 3.26Å; L1727-R1730 PolarHBondContact O-N 2.7Å; L1728-R1730 VanDerWaalsContact C-N 3.28Å; L1728-R1730 PolarHBondContact O-N 2.82Å |
| 1731 | C | 81.9 | Confident | 61.8 | Low | 3 Ų | 3 | 71.4 Ų | 71.4 | 2% | 0.02 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -80.8 | -15.7 | -169.7 | -57.4 | 0 | 0 | 0 | 0 | 114.2 | L1727 P1733 T1874 L1878 | L1727-C1731 VanDerWaalsContact O-CB 3.28Å; L1727-C1731 WeakPolarHBondContact O-CB 3.38Å; L1727-C1731 PolarHBondContact O-N 2.71Å; L1727-C1731 PolarHBondContact O-SG 2.79Å; C1731-P1733 WeakPolarHBondContact O-CD 3.48Å; C1731-T1874 HydrophobicContact CB-CG2 3.66Å; C1731-L1878 HydrophobicContact CB-CB 4.06Å; C1731-L1878 HydrophobicContact CB-CD1 4.36Å; C1731-L1878 HydrophobicContact CB-CD2 4.43Å |
| 1732 | V | 76.4 | Confident | 59 | Low | 27 Ų | 27 | 78.6 Ų | 78.6 | 16% | 0.164 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -80.5 | 120.6 | 177.5 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | R1613 L1728 L1878 L1914 P1915 | R1613-V1732 PolarHBondContact NH1-O 3.07Å; L1728-V1732 WeakPolarHBondContact O-CB 3.25Å; L1728-V1732 VanDerWaalsContact O-CG2 3.27Å; L1728-V1732 WeakPolarHBondContact O-CG2 3.1Å; L1728-V1732 PolarHBondContact O-N 2.78Å; V1732-L1878 HydrophobicContact CG2-CD2 4.43Å; V1732-L1914 HydrophobicContact CG2-CD2 3.67Å; V1732-P1915 HydrophobicContact CG1-CG 4.26Å |
| 1733 | P | 59.8 | Low | 56 | Low | 85 Ų | 85 | 81 Ų | 81 | 55% | 0.552 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 136.3 | 172.7 | -18.5 | 32.5 | 0 | 0 | 0 | 111.2 | C1731 | C1731-P1733 WeakPolarHBondContact O-CD 3.48Š|
| 1734 | Q | 46.9 | Very low | 52.9 | Low | 141 Ų | 141 | 88 Ų | 88 | 66% | 0.659 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -89.6 | 119.3 | 168.1 | -78.3 | 177.3 | -21.6 | 0 | 0 | 109.2 | Q1736 | Q1734-Q1736 PolarHBondContact O-N 2.91Å; Q1734-Q1736 VanDerWaalsContact O-N 3.15Å |
| 1735 | S | 37.5 | Very low | 49.7 | Very low | 105 Ų | 105 | 92.2 Ų | 92.2 | 73% | 0.734 | 51% | 0.513 | S | S | * | . | trans | -65.5 | 109.4 | 170.6 | 54.6 | 0 | 0 | 0 | 0 | 110.1 | T1737 | S1735-T1737 PolarHBondContact O-N 2.87Š| ||
| 1736 | Q | 27.8 | Very low | 46.7 | Very low | 147 Ų | 147 | 98.3 Ų | 98.3 | 69% | 0.687 | 55% | 0.546 | S | S | * | . | trans | -68.4 | 83.6 | -175.3 | -67 | 179.4 | 7.8 | 0 | 0 | 112.7 | D1676 Q1734 C1738 | D1676-Q1736 PolarHBondContact OD1-NE2 3.46Å; D1676-Q1736 VanDerWaalsContact OD1-NE2 3.07Å; Q1734-Q1736 PolarHBondContact O-N 2.91Å; Q1734-Q1736 VanDerWaalsContact O-N 3.15Å; Q1736-C1738 PolarHBondContact O-N 3.15Å; Q1736-C1738 VanDerWaalsContact O-N 3.12Å | ||
| 1737 | T | 24.7 | Very low | 43.7 | Very low | 120 Ų | 120 | 105.3 Ų | 105.3 | 74% | 0.736 | 57% | 0.573 | S | S | * | * | trans | -79.2 | 86.6 | 167.3 | 54.6 | 0 | 0 | 0 | 0 | 109.9 | S1735 S1739 | S1735-T1737 PolarHBondContact O-N 2.87Å; T1737-S1739 VanDerWaalsContact C-N 3.33Å; T1737-S1739 PolarHBondContact O-N 3.43Å | ||
| 1738 | C | 21.2 | Very low | 40.6 | Very low | 127 Ų | 127 | 111.7 Ų | 111.7 | 86% | 0.858 | 61% | 0.612 | S | S | * | * | trans | -66.3 | 87.6 | 174.9 | -118.7 | 0 | 0 | 0 | 0 | 111 | Q1736 L1740 | Q1736-C1738 PolarHBondContact O-N 3.15Å; Q1736-C1738 VanDerWaalsContact O-N 3.12Å; C1738-L1740 PolarHBondContact O-N 3.36Å; C1738-L1740 VanDerWaalsContact O-N 3.16Å | ||
| 1739 | S | 24.5 | Very low | 37.5 | Very low | 109 Ų | 109 | 117.3 Ų | 117.3 | 76% | 0.762 | 65% | 0.649 | S | S | * | * | trans | -74.1 | 101.6 | 179.3 | 46.4 | 0 | 0 | 0 | 0 | 110.9 | T1737 Q1741 | T1737-S1739 VanDerWaalsContact C-N 3.33Å; T1737-S1739 PolarHBondContact O-N 3.43Å; S1739-Q1741 PolarHBondContact O-N 3.09Å | ||
| 1740 | L | 22.2 | Very low | 34.8 | Very low | 166 Ų | 166 | 123 Ų | 123 | 87% | 0.869 | 68% | 0.676 | S | S | * | * | trans | -54.4 | 126.9 | 173.4 | -83 | 163.7 | 0 | 0 | 0 | 111.2 | C1738 Q1742 | C1738-L1740 PolarHBondContact O-N 3.36Å; C1738-L1740 VanDerWaalsContact O-N 3.16Å; L1740-Q1742 PolarHBondContact O-N 2.83Å | ||
| 1741 | Q | 20.5 | Very low | 32 | Very low | 182 Ų | 182 | 130.7 Ų | 130.7 | 85% | 0.85 | 71% | 0.712 | S | S | * | * | trans | -65.6 | 104.3 | 176.9 | -68.1 | 174.9 | -15.6 | 0 | 0 | 110.8 | S1739 | S1739-Q1741 PolarHBondContact O-N 3.09Š| ||
| 1742 | Q | 24.3 | Very low | 29.4 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | trans | -106.9 | 92.7 | 161.5 | -76.2 | -160.9 | -28 | 0 | 0 | 110.3 | L1740 N1744 | L1740-Q1742 PolarHBondContact O-N 2.83Å; Q1742-N1744 PolarHBondContact O-N 2.81Å | ||
| 1743 | I | 19.9 | Very low | 27 | Very low | 143 Ų | 143 | 142.6 Ų | 142.6 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -70.2 | 118.3 | 164.7 | -59.4 | 166.6 | 0 | 0 | 0 | 107.7 | ||||
| 1744 | N | 23.9 | Very low | 25.2 | Very low | 146 Ų | 146 | 143 Ų | 143 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | -176.6 | 145.8 | 135.7 | -98.2 | -38 | 0 | 0 | 0 | 114.8 | Q1742 | Q1742-N1744 PolarHBondContact O-N 2.81Š| ||
| 1745 | S | 22.7 | Very low | 24 | Very low | 91 Ų | 91 | 142.4 Ų | 142.4 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | trans | 49.9 | 96.6 | 153.7 | 62.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1746 | D | 21.2 | Very low | 23.7 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | 49.2 | 92.7 | 116.8 | -52.7 | -28.5 | 0 | 0 | 0 | 118.7 | |||||
| 1747 | K | 21.6 | Very low | 23.4 | Very low | 207 Ų | 207 | 147.1 Ų | 147.1 | 90% | 0.9 | 80% | 0.795 | S | S | * | * | trans | -102.9 | 109.3 | 147.4 | -70.4 | 177.5 | -178.6 | 172.2 | 0 | 109.2 | ||||
| 1748 | T | 24.3 | Very low | 23.5 | Very low | 133 Ų | 133 | 151 Ų | 151 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | trans | -96.2 | 124.8 | 159.7 | 41.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1749 | P | 23 | Very low | 23.4 | Very low | 121 Ų | 121 | 152.9 Ų | 152.9 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | -85.4 | 149.9 | -174.8 | 33.5 | -34.8 | 0 | 0 | 0 | 112.2 | ||||
| 1750 | I | 25.1 | Very low | 23.4 | Very low | 171 Ų | 171 | 156 Ų | 156 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -112.9 | 126.9 | 160.8 | -65.2 | -179.3 | 0 | 0 | 0 | 108 | ||||
| 1751 | H | 23.1 | Very low | 23.3 | Very low | 177 Ų | 177 | 155.1 Ų | 155.1 | 82% | 0.819 | 80% | 0.795 | S | S | * | * | trans | -87.2 | 143.8 | -174.3 | -144.6 | -87.8 | 0 | 0 | 0 | 110.7 | ||||
| 1752 | H | 27.8 | Very low | 23.4 | Very low | 173 Ų | 173 | 154.2 Ų | 154.2 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | trans | -65.9 | 152.9 | 157.5 | -77.7 | -90.9 | 0 | 0 | 0 | 109.5 | ||||
| 1753 | P | 25.3 | Very low | 23.2 | Very low | 107 Ų | 107 | 154.9 Ų | 154.9 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | -152 | 159.1 | 108.2 | 38.9 | -22.7 | 0 | 0 | 0 | 116.7 | |||||
| 1754 | S | 21.4 | Very low | 23.2 | Very low | 92 Ų | 92 | 156.3 Ų | 156.3 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | trans | 43.3 | 117.8 | 144.4 | 62.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1755 | T | 22.7 | Very low | 23.2 | Very low | 129 Ų | 129 | 156.4 Ų | 156.4 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | 49.3 | 150.4 | 77.5 | 69.5 | 0 | 0 | 0 | 0 | 116 | |||||
| 1756 | P | 30.4 | Very low | 23.2 | Very low | 111 Ų | 111 | 155.4 Ų | 155.4 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | cis | -139.1 | -177.8 | 8 | 40.1 | -20.3 | 0 | 0 | 0 | 116.8 | ||||
| 1757 | R | 21.2 | Very low | 23.1 | Very low | 240 Ų | 240 | 156.2 Ų | 156.2 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | 50.3 | 116.3 | 149.5 | -74.8 | 174.9 | 177.2 | -171.5 | -1.3 | 120.6 | ||||
| 1758 | Q | 26.5 | Very low | 23.2 | Very low | 202 Ų | 202 | 156.1 Ų | 156.1 | 94% | 0.944 | 80% | 0.803 | S | S | * | * | trans | -121.5 | 164.8 | 140.7 | -77.3 | -171.3 | -18.5 | 0 | 0 | 109.7 | ||||
| 1759 | H | 20.2 | Very low | 23 | Very low | 166 Ų | 166 | 157 Ų | 157 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -149.3 | 103.1 | -156.5 | 177.9 | 76.4 | 0 | 0 | 0 | 112.5 | ||||
| 1760 | Q | 24.1 | Very low | 23 | Very low | 174 Ų | 174 | 158.4 Ų | 158.4 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -156.5 | 117.6 | 165.4 | -102.8 | 154.8 | -31.8 | 0 | 0 | 106.1 | ||||
| 1761 | Q | 20.5 | Very low | 22.9 | Very low | 149 Ų | 149 | 157 Ų | 157 | 70% | 0.696 | 80% | 0.797 | S | S | * | * | 81.4 | 145.6 | 66.1 | -75.2 | -177 | 4.2 | 0 | 0 | 113.6 | |||||
| 1762 | Q | 22 | Very low | 23 | Very low | 163 Ų | 163 | 155.2 Ų | 155.2 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | 94.5 | 106.3 | 161.6 | -56.2 | -157.4 | -20.2 | 0 | 0 | 119.9 | ||||
| 1763 | Y | 20.3 | Very low | 22.7 | Very low | 201 Ų | 201 | 154.3 Ų | 154.3 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | trans | 68.5 | 107.7 | 137.1 | -74.6 | -79.5 | 0 | 0 | 0 | 122.7 | ||||
| 1764 | E | 19.1 | Very low | 22.8 | Very low | 173 Ų | 173 | 156.6 Ų | 156.6 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | -19.2 | 135.4 | 141.4 | -52.9 | 167 | 132.9 | 0 | 0 | 117.1 | ||||
| 1765 | V | 24.5 | Very low | 22.8 | Very low | 147 Ų | 147 | 160.1 Ų | 160.1 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | trans | -136.2 | 136.8 | 143.5 | 178.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1766 | G | 23.5 | Very low | 23.1 | Very low | 71 Ų | 71 | 157.6 Ų | 157.6 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | -76.8 | 159.5 | -165.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1767 | L | 18.6 | Very low | 22.7 | Very low | 173 Ų | 173 | 164.4 Ų | 164.4 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | trans | -58.8 | 136.9 | 175.5 | -63.2 | 158.4 | 0 | 0 | 0 | 112.9 | ||||
| 1768 | K | 24.1 | Very low | 22.8 | Very low | 206 Ų | 206 | 158.5 Ų | 158.5 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | trans | -140.4 | 140.3 | 148.5 | -75.3 | -161.8 | 175.1 | -178.7 | 0 | 111.1 | ||||
| 1769 | L | 19.9 | Very low | 22.6 | Very low | 151 Ų | 151 | 155.6 Ų | 155.6 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -68.5 | 153.5 | -177.8 | -74 | 66.1 | 0 | 0 | 0 | 111.7 | ||||
| 1770 | N | 23.2 | Very low | 22.8 | Very low | 150 Ų | 150 | 159 Ų | 159 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -147.5 | 102.7 | 132.8 | -159.7 | 9.6 | 0 | 0 | 0 | 110 | ||||
| 1771 | N | 22.3 | Very low | 22.7 | Very low | 142 Ų | 142 | 158.7 Ų | 158.7 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | trans | -88.3 | 130.5 | 173.1 | -75.6 | -3.1 | 0 | 0 | 0 | 108.6 | ||||
| 1772 | N | 24.4 | Very low | 22.7 | Very low | 140 Ų | 140 | 162.8 Ų | 162.8 | 75% | 0.749 | 82% | 0.821 | S | S | * | * | trans | -141.3 | 120.6 | 176.7 | -150.2 | 6.4 | 0 | 0 | 0 | 111.6 | ||||
| 1773 | M | 22.3 | Very low | 22.7 | Very low | 154 Ų | 154 | 164.1 Ų | 164.1 | 76% | 0.759 | 83% | 0.827 | S | S | * | * | trans | 9.5 | 122.4 | 162.4 | -51.3 | -54.9 | -172.8 | 0 | 0 | 119.5 | ||||
| 1774 | N | 27.2 | Very low | 22.8 | Very low | 154 Ų | 154 | 163 Ų | 163 | 82% | 0.824 | 83% | 0.827 | S | S | * | * | -178.7 | 158.2 | 95.5 | -92.8 | -35.8 | 0 | 0 | 0 | 113.3 | |||||
| 1775 | D | 22.4 | Very low | 23.1 | Very low | 166 Ų | 166 | 162.7 Ų | 162.7 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | -67 | 149.1 | -179.2 | -62 | -89 | 0 | 0 | 0 | 114.9 | ||||
| 1776 | G | 28.1 | Very low | 23.1 | Very low | 77 Ų | 77 | 161.6 Ų | 161.6 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | -158.8 | 35.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | C1778 | G1776-C1778 PolarHBondContact O-N 3.09Š| ||
| 1777 | R | 22.1 | Very low | 23.4 | Very low | 253 Ų | 253 | 165 Ų | 165 | 96% | 0.955 | 82% | 0.821 | S | S | * | * | trans | -50.8 | 101.6 | -175 | 180 | -160.5 | -172.3 | -168.7 | 6.7 | 114.3 | ||||
| 1778 | C | 23.9 | Very low | 23.9 | Very low | 117 Ų | 117 | 165.2 Ų | 165.2 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | -163.1 | 102.2 | 134.9 | -158.6 | 0 | 0 | 0 | 0 | 112.8 | G1776 | G1776-C1778 PolarHBondContact O-N 3.09Š| ||
| 1779 | N | 22.7 | Very low | 24 | Very low | 141 Ų | 141 | 158.9 Ų | 158.9 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | trans | -139.6 | 107.2 | 155.1 | -168.4 | 20.2 | 0 | 0 | 0 | 107.6 | Q1781 | N1779-Q1781 PolarHBondContact O-N 2.92Š| ||
| 1780 | R | 23.5 | Very low | 24.6 | Very low | 238 Ų | 238 | 157.9 Ų | 157.9 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | -90.9 | 89.6 | 172.3 | -89.9 | -164.4 | 176.1 | -160 | 0.2 | 108.6 | ||||
| 1781 | Q | 22.3 | Very low | 24.9 | Very low | 167 Ų | 167 | 157.3 Ų | 157.3 | 78% | 0.78 | 81% | 0.808 | S | S | * | * | trans | -72.3 | 138.1 | 165.1 | -165.5 | 161.3 | -20.3 | 0 | 0 | 108.6 | N1779 | N1779-Q1781 PolarHBondContact O-N 2.92Š| ||
| 1782 | Y | 20.9 | Very low | 25.4 | Very low | 235 Ų | 235 | 157.4 Ų | 157.4 | 92% | 0.922 | 81% | 0.808 | S | S | * | * | trans | -72.3 | 141.3 | 172.8 | -80.1 | -97 | 0 | 0 | 0 | 109.9 | ||||
| 1783 | Q | 21.8 | Very low | 25.7 | Very low | 190 Ų | 190 | 157.6 Ų | 157.6 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -147.7 | 148.8 | 167.3 | -154.7 | 163.8 | 13.1 | 0 | 0 | 109.2 | ||||
| 1784 | F | 21.4 | Very low | 26 | Very low | 178 Ų | 178 | 157.2 Ų | 157.2 | 78% | 0.781 | 81% | 0.81 | S | S | * | * | trans | -64.6 | 153.7 | -174.7 | -88.3 | -112.9 | 0 | 0 | 0 | 113.2 | N1786 | F1784-N1786 WeakPolarHBondContact CD1-OD1 3.43Š| ||
| 1785 | N | 27 | Very low | 26.1 | Very low | 166 Ų | 166 | 157 Ų | 157 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -144.7 | 134.6 | 131.6 | -100.9 | -6.8 | 0 | 0 | 0 | 107.7 | ||||
| 1786 | N | 23.6 | Very low | 26.7 | Very low | 125 Ų | 125 | 156.7 Ų | 156.7 | 67% | 0.668 | 81% | 0.808 | S | S | * | * | trans | -88.7 | 146.9 | 169.7 | -59.1 | -23.5 | 0 | 0 | 0 | 108.4 | F1784 | F1784-N1786 WeakPolarHBondContact CD1-OD1 3.43Š| ||
| 1787 | D | 29 | Very low | 26.7 | Very low | 142 Ų | 142 | 158 Ų | 158 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -162.5 | 128.2 | 148.4 | -102.5 | -31.4 | 0 | 0 | 0 | 112.9 | ||||
| 1788 | H | 30.2 | Very low | 27.3 | Very low | 177 Ų | 177 | 152 Ų | 152 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | trans | 55.1 | 86.4 | 146 | -67.3 | 69.8 | 0 | 0 | 0 | 121.2 | ||||
| 1789 | G | 25.6 | Very low | 27.5 | Very low | 74 Ų | 74 | 152.3 Ų | 152.3 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | 97.8 | 162.7 | 103.2 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 1790 | V | 32.9 | Very low | 27.9 | Very low | 130 Ų | 130 | 153 Ų | 153 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | trans | 79 | 79.6 | 174.3 | -165.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1791 | D | 29.2 | Very low | 28.2 | Very low | 138 Ų | 138 | 148.1 Ų | 148.1 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | 62.5 | 148.5 | 113.9 | -43 | -23.9 | 0 | 0 | 0 | 123 | |||||
| 1792 | D | 33.1 | Very low | 28.4 | Very low | 144 Ų | 144 | 148.1 Ų | 148.1 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | 70.9 | 85.9 | 160.2 | -55.8 | -7.9 | 0 | 0 | 0 | 121 | ||||
| 1793 | D | 30 | Very low | 28.7 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | 66 | 130.5 | 122.6 | -57.7 | -9.8 | 0 | 0 | 0 | 125 | |||||
| 1794 | D | 30 | Very low | 29.1 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | trans | 68.9 | 120 | 143.6 | -64.4 | -9.5 | 0 | 0 | 0 | 124.5 | ||||
| 1795 | D | 29.2 | Very low | 29.4 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | 43.7 | 109.1 | 143.1 | -76.5 | -13.1 | 0 | 0 | 0 | 121.4 | ||||
| 1796 | D | 33.8 | Very low | 29.3 | Very low | 159 Ų | 159 | 131.2 Ų | 131.2 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | -147.2 | 141.3 | 120.9 | -147.9 | -16.7 | 0 | 0 | 0 | 112.5 | |||||
| 1797 | S | 29.4 | Very low | 29.5 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -105.3 | 112.5 | -170.6 | -74.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1798 | T | 33.6 | Very low | 29.2 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | trans | -109.5 | 98 | 176 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | L1800 | T1798-L1800 PolarHBondContact O-N 3.44Š| ||
| 1799 | D | 27.6 | Very low | 28.9 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 66% | 0.658 | 77% | 0.768 | S | S | * | * | trans | -61.3 | 120 | 171.2 | -86.3 | -44.2 | 0 | 0 | 0 | 112 | ||||
| 1800 | L | 32.4 | Very low | 28.9 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -100.5 | 95.4 | 166.7 | -76.6 | 179.1 | 0 | 0 | 0 | 110.8 | T1798 L1802 | T1798-L1800 PolarHBondContact O-N 3.44Å; L1800-L1802 PolarHBondContact O-N 3.45Å | ||
| 1801 | L | 28.5 | Very low | 28.3 | Very low | 135 Ų | 135 | 139 Ų | 139 | 71% | 0.707 | 76% | 0.763 | S | S | * | * | trans | -60 | 100.9 | 177.3 | -70.5 | 168.3 | 0 | 0 | 0 | 112.3 | L1803 L1964 | L1801-L1803 PolarHBondContact O-N 2.83Å; L1801-L1964 HydrophobicContact CD2-CD1 3.74Å | ||
| 1802 | L | 27.4 | Very low | 27.9 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -81.4 | 97 | 175.1 | -97.6 | 161.4 | 0 | 0 | 0 | 111.2 | L1800 | L1800-L1802 PolarHBondContact O-N 3.45Š| ||
| 1803 | L | 27.7 | Very low | 27.3 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | -65.5 | 134.7 | 176.3 | -80.9 | 166.4 | 0 | 0 | 0 | 112.4 | L1801 | L1801-L1803 PolarHBondContact O-N 2.83Š| ||
| 1804 | P | 30.3 | Very low | 26.9 | Very low | 73 Ų | 73 | 139.5 Ų | 139.5 | 47% | 0.474 | 77% | 0.771 | S | S | . | * | trans | -77.5 | 130.4 | -173.6 | -11.6 | 27.5 | 0 | 0 | 0 | 113.4 | G1806 N1957 | P1804-G1806 VanDerWaalsContact C-N 3.33Å; P1804-G1806 PolarHBondContact O-N 3.19Å; P1804-N1957 HydrophobicContact CG-CB 3.61Å; P1804-N1957 WeakPolarHBondContact CG-ND2 3.23Å; P1804-N1957 VanDerWaalsContact CG-OD1 3.27Å; P1804-N1957 WeakPolarHBondContact CG-OD1 3.28Å | ||
| 1805 | S | 26.4 | Very low | 26.4 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 95% | 0.951 | 77% | 0.774 | S | S | * | * | trans | -77.8 | 70 | 179.8 | 174 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1806 | G | 25.6 | Very low | 26 | Very low | 51 Ų | 51 | 143.1 Ų | 143.1 | 53% | 0.526 | 78% | 0.775 | S | S | . | * | trans | -110.5 | -18.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | P1804 | P1804-G1806 VanDerWaalsContact C-N 3.33Å; P1804-G1806 PolarHBondContact O-N 3.19Å | ||
| 1807 | A | 27.2 | Very low | 25.4 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -100.6 | 131.5 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1808 | R | 24.2 | Very low | 25.1 | Very low | 246 Ų | 246 | 144 Ų | 144 | 93% | 0.928 | 78% | 0.775 | S | S | * | * | trans | -84 | 128.1 | -178.1 | -59.7 | -173.7 | -165.6 | -167.1 | 6.7 | 112.2 | I1810 | R1808-I1810 PolarHBondContact O-N 3.1Š| ||
| 1809 | K | 23.6 | Very low | 24.6 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 81% | 0.809 | 78% | 0.775 | S | S | * | * | trans | -83.1 | 101.6 | -167.9 | -173.7 | 175 | -171.6 | 165.3 | 0 | 113.6 | I1811 | K1809-I1811 HydrophobicContact CG-CG1 4.39Š| ||
| 1810 | I | 23.9 | Very low | 24.3 | Very low | 158 Ų | 158 | 145.9 Ų | 145.9 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -111.3 | 133.1 | 163.1 | -62.6 | -178.6 | 0 | 0 | 0 | 108.9 | R1808 | R1808-I1810 PolarHBondContact O-N 3.1Š| ||
| 1811 | I | 21.4 | Very low | 23.8 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 64% | 0.641 | 79% | 0.787 | S | S | * | * | trans | -104.4 | 104 | -171.7 | -59.1 | 168.8 | 0 | 0 | 0 | 109.7 | K1809 K1813 | K1809-I1811 HydrophobicContact CG-CG1 4.39Å; I1811-K1813 HydrophobicContact CG2-CG 4.36Å | ||
| 1812 | V | 21.2 | Very low | 23.5 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | -101.8 | 129.3 | 162.7 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | S1814 | V1812-S1814 PolarHBondContact O-N 2.83Š| ||
| 1813 | K | 19.9 | Very low | 23.4 | Very low | 182 Ų | 182 | 145.9 Ų | 145.9 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -92.5 | 99.7 | -177.9 | -67.3 | 177.8 | 179.7 | 177 | 0 | 109.8 | I1811 | I1811-K1813 HydrophobicContact CG2-CG 4.36Š| ||
| 1814 | S | 22.2 | Very low | 23 | Very low | 119 Ų | 119 | 147 Ų | 147 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -59.7 | 137 | 165.1 | 50.1 | 0 | 0 | 0 | 0 | 110 | V1812 | V1812-S1814 PolarHBondContact O-N 2.83Š| ||
| 1815 | K | 19.6 | Very low | 22.7 | Very low | 197 Ų | 197 | 150.7 Ų | 150.7 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | -120.3 | 153.1 | 167 | -78.8 | -171.8 | 174.9 | -174.9 | 0 | 107.9 | ||||
| 1816 | H | 20.5 | Very low | 22.6 | Very low | 176 Ų | 176 | 150.2 Ų | 150.2 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | trans | 73 | 76.1 | 167.3 | -120.3 | 22.2 | 0 | 0 | 0 | 116.1 | ||||
| 1817 | S | 21.6 | Very low | 22.3 | Very low | 120 Ų | 120 | 154.3 Ų | 154.3 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -112.9 | 140.5 | 130.2 | 52.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1818 | Q | 21.4 | Very low | 22.1 | Very low | 161 Ų | 161 | 157.4 Ų | 157.4 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -132.4 | 130.8 | 164.7 | -84.3 | -163.8 | -42.2 | 0 | 0 | 107.6 | ||||
| 1819 | P | 23.8 | Very low | 22.2 | Very low | 118 Ų | 118 | 151.3 Ų | 151.3 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | -72.4 | 147.4 | 176.9 | -14.4 | 29.7 | 0 | 0 | 0 | 111.8 | ||||
| 1820 | L | 21.2 | Very low | 22.1 | Very low | 172 Ų | 172 | 150.6 Ų | 150.6 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | trans | -89.3 | 102.2 | 157.2 | -88.4 | 76.6 | 0 | 0 | 0 | 108.4 | ||||
| 1821 | E | 23 | Very low | 22 | Very low | 179 Ų | 179 | 150.9 Ų | 150.9 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | -91.4 | 142.6 | 162.9 | -76.6 | -167.2 | 130.1 | 0 | 0 | 110.9 | ||||
| 1822 | S | 21.9 | Very low | 22.2 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -98.1 | 101 | -172.9 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | K1824 | S1822-K1824 PolarHBondContact O-N 2.81Š| ||
| 1823 | I | 24.2 | Very low | 22.2 | Very low | 162 Ų | 162 | 151.8 Ų | 151.8 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | -80.3 | 114.8 | 175.2 | -62.3 | 177 | 0 | 0 | 0 | 109.7 | ||||
| 1824 | K | 20 | Very low | 22.6 | Very low | 178 Ų | 178 | 148.6 Ų | 148.6 | 77% | 0.774 | 80% | 0.796 | S | S | * | * | trans | -90.7 | 177.4 | 159.3 | -70.7 | -179.4 | 177.5 | 176.9 | 0 | 109.4 | S1822 | S1822-K1824 PolarHBondContact O-N 2.81Š| ||
| 1825 | N | 23.7 | Very low | 22.6 | Very low | 150 Ų | 150 | 151.9 Ų | 151.9 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | 78.8 | 144.8 | -175.9 | -37.5 | -22.1 | 0 | 0 | 0 | 112.1 | ||||
| 1826 | N | 23.9 | Very low | 22.7 | Very low | 125 Ų | 125 | 149.4 Ų | 149.4 | 67% | 0.668 | 79% | 0.792 | S | S | * | * | cis | -145.8 | 146.5 | -8.4 | -144.3 | 29.7 | 0 | 0 | 0 | 113.1 | ||||
| 1827 | E | 20.5 | Very low | 22.8 | Very low | 138 Ų | 138 | 145.4 Ų | 145.4 | 65% | 0.645 | 78% | 0.784 | S | S | * | * | trans | 32.8 | 144.7 | 139.6 | -76.2 | -174 | 122.3 | 0 | 0 | 125.5 | ||||
| 1828 | H | 22.1 | Very low | 22.8 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 75% | 0.75 | 78% | 0.779 | S | S | * | * | trans | 72.3 | 97.4 | 146.2 | -72.9 | 42.5 | 0 | 0 | 0 | 120.3 | ||||
| 1829 | S | 26.1 | Very low | 22.7 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | -162.8 | 113.4 | 127 | 43.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1830 | Q | 21.8 | Very low | 22.7 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 38.7 | 116.7 | 134.9 | -61.5 | -171 | 5.7 | 0 | 0 | 123.1 | ||||
| 1831 | I | 21.1 | Very low | 22.7 | Very low | 163 Ų | 163 | 141 Ų | 141 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | 71.5 | 122.2 | 117 | -62.4 | 165.3 | 0 | 0 | 0 | 119.7 | |||||
| 1832 | G | 27.1 | Very low | 22.7 | Very low | 70 Ų | 70 | 139.7 Ų | 139.7 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | 165.4 | 81.3 | 165 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1833 | K | 21.2 | Very low | 22.6 | Very low | 208 Ų | 208 | 139 Ų | 139 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | trans | -118.4 | 118.8 | 178.8 | -76.3 | -174.2 | 178.4 | 178.7 | 0 | 113.8 | ||||
| 1834 | P | 26.8 | Very low | 22.4 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | trans | -112.9 | 137.5 | 139.8 | 37.4 | -28.7 | 0 | 0 | 0 | 108.9 | ||||
| 1835 | K | 23.5 | Very low | 22.5 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | 54.8 | 123.2 | 59.4 | -63.5 | -172.4 | 180 | -179.3 | 0 | 111.6 | |||||
| 1836 | N | 21.8 | Very low | 22.4 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | cis | -161.2 | 174.1 | 0.7 | -136.2 | 17.7 | 0 | 0 | 0 | 111.5 | ||||
| 1837 | S | 23.2 | Very low | 22.2 | Very low | 91 Ų | 91 | 135.8 Ų | 135.8 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | 55.6 | 114 | 149.4 | 60.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1838 | S | 20.3 | Very low | 22.3 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | 53.6 | 151.2 | 130.1 | 63.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1839 | S | 20.6 | Very low | 22.3 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | cis | -176.9 | 156.7 | -15.1 | -90.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1840 | T | 23.4 | Very low | 22.2 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | trans | 60.4 | 161.5 | 164.9 | 49 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1841 | N | 20.6 | Very low | 22.2 | Very low | 139 Ų | 139 | 134 Ų | 134 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | cis | -162.6 | 168 | -46.7 | -138.1 | -20.3 | 0 | 0 | 0 | 107.5 | ||||
| 1842 | I | 23.3 | Very low | 22.2 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 77% | 0.774 | 75% | 0.749 | S | S | * | * | trans | 65.4 | 100.4 | 168.2 | -53.4 | 152.2 | 0 | 0 | 0 | 113.8 | ||||
| 1843 | S | 19.6 | Very low | 21.9 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | 81 | 117.1 | 67.2 | -168.5 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 1844 | S | 19.4 | Very low | 22.1 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | trans | 67.1 | 103 | 152.4 | 71.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1845 | K | 23.3 | Very low | 21.9 | Very low | 200 Ų | 200 | 135.8 Ų | 135.8 | 87% | 0.87 | 75% | 0.752 | S | S | * | * | 173.7 | 128 | 102.7 | -92.2 | 163.9 | -175.9 | 174.2 | 0 | 114.1 | |||||
| 1846 | S | 20 | Very low | 22 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | 10.3 | 118.4 | 145.9 | 165.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1847 | M | 20.7 | Very low | 22.1 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | -168 | 155.6 | 116.9 | -111.7 | -61.2 | 126.2 | 0 | 0 | 115.6 | |||||
| 1848 | T | 22.1 | Very low | 22.3 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | trans | 61.9 | 131.6 | 157.8 | 52.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1849 | K | 22.6 | Very low | 22.5 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | trans | 102.2 | 146.4 | 131.8 | -103.8 | -179.3 | 176 | -179.6 | 0 | 121.6 | ||||
| 1850 | L | 23.1 | Very low | 23.1 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 70% | 0.696 | 75% | 0.751 | S | S | * | * | trans | 79.6 | 100.1 | 160.4 | -97.4 | 66 | 0 | 0 | 0 | 121.6 | ||||
| 1851 | T | 23.2 | Very low | 23.7 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 69% | 0.693 | 74% | 0.742 | S | S | * | * | 57.2 | 110.5 | 120.9 | 56.7 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1852 | S | 20.2 | Very low | 24.5 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | 61.6 | 124.5 | 126.7 | 67.5 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1853 | F | 20.9 | Very low | 25.3 | Very low | 197 Ų | 197 | 131.8 Ų | 131.8 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | trans | 52 | 81.7 | 138.9 | -84 | -93.6 | 0 | 0 | 0 | 118.4 | ||||
| 1854 | Y | 25.8 | Very low | 26.3 | Very low | 229 Ų | 229 | 134.6 Ų | 134.6 | 90% | 0.898 | 72% | 0.724 | S | S | * | * | -128.9 | 113.3 | 125.8 | -96.2 | -86.2 | 0 | 0 | 0 | 109 | |||||
| 1855 | G | 21.6 | Very low | 27.5 | Very low | 64 Ų | 64 | 137.9 Ų | 137.9 | 66% | 0.66 | 73% | 0.726 | S | S | * | * | trans | -99.6 | 125.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1856 | N | 25.9 | Very low | 28.9 | Very low | 134 Ų | 134 | 131 Ų | 131 | 72% | 0.717 | 70% | 0.704 | S | S | * | * | trans | -164.3 | 108.9 | 162.6 | -99.5 | -31.7 | 0 | 0 | 0 | 111.2 | ||||
| 1857 | N | 23.8 | Very low | 30.9 | Very low | 145 Ų | 145 | 130.9 Ų | 130.9 | 78% | 0.775 | 69% | 0.69 | S | S | * | * | trans | 40.6 | 99.2 | 144.6 | -55.4 | -19.8 | 0 | 0 | 0 | 120.1 | ||||
| 1858 | T | 26.9 | Very low | 33 | Very low | 127 Ų | 127 | 130 Ų | 130 | 78% | 0.779 | 68% | 0.684 | S | S | * | * | trans | -132.2 | -10.1 | 157.4 | 22.6 | 0 | 0 | 0 | 0 | 115.5 | A1860 | T1858-A1860 VanDerWaalsContact C-N 3.31Å; T1858-A1860 PolarHBondContact O-N 3.12Å | ||
| 1859 | Q | 25.8 | Very low | 35.6 | Very low | 182 Ų | 182 | 128 Ų | 128 | 85% | 0.85 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 11.6 | -176.9 | -68.3 | -177.3 | -18 | 0 | 0 | 115.4 | S1863 | Q1859-S1863 PolarHBondContact O-OG 3.17Š|
| 1860 | A | 32 | Very low | 38.1 | Very low | 64 Ų | 64 | 119.9 Ų | 119.9 | 53% | 0.529 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.7 | -0.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | T1858 | T1858-A1860 VanDerWaalsContact C-N 3.31Å; T1858-A1860 PolarHBondContact O-N 3.12Å |
| 1861 | I | 37.2 | Very low | 40.6 | Very low | 126 Ų | 126 | 119 Ų | 119 | 65% | 0.646 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -99.8 | -55.6 | -173.5 | -59.7 | 179.6 | 0 | 0 | 0 | 110.9 | S1863 K1864 F1865 | I1861-S1863 PolarHBondContact O-N 2.74Å; I1861-K1864 WeakPolarHBondContact O-CB 3.29Å; I1861-K1864 PolarHBondContact O-N 2.69Å; I1861-F1865 PolarHBondContact O-N 2.76Å |
| 1862 | D | 36.4 | Very low | 43.5 | Very low | 127 Ų | 127 | 118 Ų | 118 | 68% | 0.679 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -58.3 | -36.9 | -176.9 | -52.7 | -24.6 | 0 | 0 | 0 | 112.5 | K1864 F1865 S1866 | D1862-K1864 PolarHBondContact O-N 3.5Å; D1862-F1865 PolarHBondContact O-N 3.19Å; D1862-S1866 PolarHBondContact O-N 2.73Å; D1862-S1866 VanDerWaalsContact O-N 3.12Å |
| 1863 | S | 40.8 | Very low | 46.6 | Very low | 68 Ų | 68 | 113.7 Ų | 113.7 | 48% | 0.476 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.6 | -15.5 | 177.5 | 53.7 | 0 | 0 | 0 | 0 | 114.5 | Q1859 I1861 K1867 | Q1859-S1863 PolarHBondContact O-OG 3.17Å; I1861-S1863 PolarHBondContact O-N 2.74Å; S1863-K1867 WeakPolarHBondContact O-CG 3.33Å |
| 1864 | K | 40.1 | Very low | 49.7 | Very low | 160 Ų | 160 | 104.5 Ų | 104.5 | 70% | 0.696 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -86.8 | -39.1 | 168 | -72.4 | -171.9 | 175 | -174.3 | 0 | 112.1 | I1861 D1862 K1867 H1868 | I1861-K1864 WeakPolarHBondContact O-CB 3.29Å; I1861-K1864 PolarHBondContact O-N 2.69Å; D1862-K1864 PolarHBondContact O-N 3.5Å; K1864-K1867 PolarHBondContact O-N 3.26Å; K1864-H1868 PolarHBondContact O-N 2.73Å; K1864-H1868 VanDerWaalsContact O-N 3.17Å |
| 1865 | F | 44.7 | Very low | 52.6 | Low | 165 Ų | 165 | 97 Ų | 97 | 72% | 0.724 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.6 | -46.5 | -176.2 | -145.6 | -82.4 | 0 | 0 | 0 | 111.7 | I1861 D1862 K1867 H1868 H1869 | I1861-F1865 PolarHBondContact O-N 2.76Å; D1862-F1865 PolarHBondContact O-N 3.19Å; F1865-K1867 VanDerWaalsContact C-N 3.34Å; F1865-K1867 PolarHBondContact O-N 2.8Å; F1865-H1868 PolarHBondContact O-N 2.61Å; F1865-H1869 PolarHBondContact O-N 2.72Å |
| 1866 | S | 54.2 | Low | 55.9 | Low | 57 Ų | 57 | 96.7 Ų | 96.7 | 40% | 0.399 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58 | -42.7 | 174.8 | 167.6 | 0 | 0 | 0 | 0 | 112.5 | D1862 H1868 H1869 I1870 | D1862-S1866 PolarHBondContact O-N 2.73Å; D1862-S1866 VanDerWaalsContact O-N 3.12Å; S1866-H1868 PolarHBondContact O-N 3.48Å; S1866-H1869 PolarHBondContact O-N 3.44Å; S1866-I1870 WeakPolarHBondContact O-CG1 3.37Å; S1866-I1870 PolarHBondContact O-N 3.12Å; S1866-I1870 VanDerWaalsContact O-N 3.14Å |
| 1867 | K | 61 | Low | 59.1 | Low | 96 Ų | 96 | 90.3 Ų | 90.3 | 42% | 0.417 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 176.4 | -77.9 | -170.5 | 173.5 | -158.3 | 0 | 112.4 | S1863 K1864 F1865 H1869 I1870 Y1871 | S1863-K1867 WeakPolarHBondContact O-CG 3.33Å; K1864-K1867 PolarHBondContact O-N 3.26Å; F1865-K1867 VanDerWaalsContact C-N 3.34Å; F1865-K1867 PolarHBondContact O-N 2.8Å; K1867-H1869 VanDerWaalsContact C-N 3.35Å; K1867-H1869 PolarHBondContact O-N 2.78Å; K1867-I1870 PolarHBondContact O-N 3.35Å; K1867-Y1871 WeakPolarHBondContact O-CD2 3.23Å; K1867-Y1871 PolarHBondContact O-N 2.84Å |
| 1868 | H | 65.2 | Low | 62.3 | Low | 135 Ų | 135 | 83.5 Ų | 83.5 | 63% | 0.625 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60 | -45.5 | 179.2 | -170 | -76.6 | 0 | 0 | 0 | 111.7 | K1864 F1865 S1866 I1870 Y1871 E1872 | K1864-H1868 PolarHBondContact O-N 2.73Å; K1864-H1868 VanDerWaalsContact O-N 3.17Å; F1865-H1868 PolarHBondContact O-N 2.61Å; S1866-H1868 PolarHBondContact O-N 3.48Å; H1868-I1870 PolarHBondContact O-N 2.89Å; H1868-Y1871 PolarHBondContact O-N 2.67Å; H1868-E1872 PolarHBondContact O-N 2.77Å |
| 1869 | H | 75.3 | Confident | 65.5 | Low | 75 Ų | 75 | 78.8 Ų | 78.8 | 35% | 0.347 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.4 | -37.2 | -178.6 | -164.4 | 47.3 | 0 | 0 | 0 | 112.8 | E1683 F1865 S1866 K1867 Y1871 E1872 I1873 | E1683-H1869 IonicContact OE1-CD2 3.13Å; F1865-H1869 PolarHBondContact O-N 2.72Å; S1866-H1869 PolarHBondContact O-N 3.44Å; K1867-H1869 VanDerWaalsContact C-N 3.35Å; K1867-H1869 PolarHBondContact O-N 2.78Å; H1869-Y1871 PolarHBondContact O-N 3.29Å; H1869-E1872 IonicContact CE1-OE2 3.58Å; H1869-E1872 IonicContact ND1-OE2 2.72Å; H1869-E1872 PolarHBondContact ND1-OE2 2.78Å; H1869-E1872 WeakPolarHBondContact O-CB 3.37Å; H1869-E1872 PolarHBondContact O-N 2.65Å; H1869-I1873 WeakPolarHBondContact O-CG1 3.18Å; H1869-I1873 PolarHBondContact O-N 2.74Å |
| 1870 | I | 76.3 | Confident | 68.7 | Low | 19 Ų | 19 | 70.3 Ų | 70.3 | 10% | 0.097 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.3 | -35.4 | 175.9 | -61.9 | 165.8 | 0 | 0 | 0 | 111.5 | L1678 E1683 S1866 K1867 H1868 T1874 | L1678-I1870 HydrophobicContact CD2-CB 4.34Å; L1678-I1870 HydrophobicContact CD2-CD1 3.69Å; L1678-I1870 HydrophobicContact CD2-CG2 4.03Å; E1683-I1870 HydrophobicContact CG-CG1 4.41Å; S1866-I1870 WeakPolarHBondContact O-CG1 3.37Å; S1866-I1870 PolarHBondContact O-N 3.12Å; S1866-I1870 VanDerWaalsContact O-N 3.14Å; K1867-I1870 PolarHBondContact O-N 3.35Å; H1868-I1870 PolarHBondContact O-N 2.89Å; I1870-T1874 WeakPolarHBondContact O-CB 3.4Å; I1870-T1874 PolarHBondContact O-N 2.91Å; I1870-T1874 PolarHBondContact O-OG1 3.49Å |
| 1871 | Y | 76.2 | Confident | 71.6 | Confident | 115 Ų | 115 | 67.2 Ų | 67.2 | 45% | 0.451 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 171.2 | -75.3 | -62.8 | 0 | 0 | 0 | 112.3 | K1867 H1868 H1869 T1874 N1875 | K1867-Y1871 WeakPolarHBondContact O-CD2 3.23Å; K1867-Y1871 PolarHBondContact O-N 2.84Å; H1868-Y1871 PolarHBondContact O-N 2.67Å; H1869-Y1871 PolarHBondContact O-N 3.29Å; Y1871-T1874 WeakPolarHBondContact O-CB 3.19Å; Y1871-T1874 PolarHBondContact O-N 2.6Å; Y1871-N1875 PolarHBondContact O-N 2.79Å |
| 1872 | E | 82.7 | Confident | 74.3 | Confident | 92 Ų | 92 | 61.2 Ų | 61.2 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 174.7 | -176 | -172.6 | -173.9 | 0 | 0 | 111.9 | H1868 H1869 T1874 N1875 N1876 | H1868-E1872 PolarHBondContact O-N 2.77Å; H1869-E1872 IonicContact CE1-OE2 3.58Å; H1869-E1872 IonicContact ND1-OE2 2.72Å; H1869-E1872 PolarHBondContact ND1-OE2 2.78Å; H1869-E1872 WeakPolarHBondContact O-CB 3.37Å; H1869-E1872 PolarHBondContact O-N 2.65Å; E1872-T1874 VanDerWaalsContact C-N 3.32Å; E1872-T1874 PolarHBondContact O-N 3.4Å; E1872-N1875 PolarHBondContact O-N 2.76Å; E1872-N1876 PolarHBondContact O-N 3.21Å; E1872-N1876 PolarHBondContact O-ND2 2.76Å |
| 1873 | I | 86.3 | Confident | 76.9 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 6% | 0.056 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 173.4 | -66.6 | 167.6 | 0 | 0 | 0 | 110.6 | E1683 A1686 L1690 H1869 N1876 I1877 | E1683-I1873 HydrophobicContact CG-CD1 4.26Å; A1686-I1873 HydrophobicContact CB-CG2 3.69Å; L1690-I1873 HydrophobicContact CD2-CG2 4.33Å; H1869-I1873 WeakPolarHBondContact O-CG1 3.18Å; H1869-I1873 PolarHBondContact O-N 2.74Å; I1873-N1876 WeakPolarHBondContact O-CB 3.35Å; I1873-N1876 PolarHBondContact O-N 3.2Å; I1873-I1877 HydrophobicContact CG2-CD1 3.92Å; I1873-I1877 HydrophobicContact CG2-CG1 4.44Å; I1873-I1877 WeakPolarHBondContact O-CG1 3.16Å; I1873-I1877 PolarHBondContact O-N 3.38Å |
| 1874 | T | 85.8 | Confident | 79.3 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 178.8 | -59.1 | 0 | 0 | 0 | 0 | 112 | P1679 C1731 I1870 Y1871 E1872 I1877 L1878 | P1679-T1874 HydrophobicContact CB-CG2 4.31Å; P1679-T1874 HydrophobicContact CG-CG2 3.79Å; P1679-T1874 VanDerWaalsContact CG-OG1 3.27Å; P1679-T1874 WeakPolarHBondContact CG-OG1 3.17Å; C1731-T1874 HydrophobicContact CB-CG2 3.66Å; I1870-T1874 WeakPolarHBondContact O-CB 3.4Å; I1870-T1874 PolarHBondContact O-N 2.91Å; I1870-T1874 PolarHBondContact O-OG1 3.49Å; Y1871-T1874 WeakPolarHBondContact O-CB 3.19Å; Y1871-T1874 PolarHBondContact O-N 2.6Å; E1872-T1874 VanDerWaalsContact C-N 3.32Å; E1872-T1874 PolarHBondContact O-N 3.4Å; T1874-I1877 PolarHBondContact O-N 2.84Å; T1874-L1878 PolarHBondContact O-N 3.39Å |
| 1875 | N | 87.3 | Confident | 81.8 | Confident | 72 Ų | 72 | 44.5 Ų | 44.5 | 39% | 0.385 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.1 | -44 | 175.4 | -72 | -17.1 | 0 | 0 | 0 | 111.2 | Y1871 E1872 I1877 L1878 H1879 | Y1871-N1875 PolarHBondContact O-N 2.79Å; E1872-N1875 PolarHBondContact O-N 2.76Å; N1875-I1877 VanDerWaalsContact C-N 3.33Å; N1875-I1877 PolarHBondContact O-N 3.23Å; N1875-L1878 WeakPolarHBondContact O-CB 3.32Å; N1875-L1878 PolarHBondContact O-N 3.33Å; N1875-L1878 VanDerWaalsContact O-N 3.15Å; N1875-H1879 PolarHBondContact O-CD2 2.75Å; N1875-H1879 PolarHBondContact O-N 2.7Å; N1875-H1879 PolarHBondContact O-ND1 3.06Å |
| 1876 | N | 90.1 | Very high | 84 | Confident | 56 Ų | 56 | 36.7 Ų | 36.7 | 30% | 0.299 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.6 | -39.9 | 174.5 | -84 | -81.4 | 0 | 0 | 0 | 112.6 | L1690 E1872 I1873 H1879 E1880 | L1690-N1876 HydrophobicContact CD1-CB 3.84Å; L1690-N1876 HydrophobicContact CD2-CB 3.88Å; E1872-N1876 PolarHBondContact O-N 3.21Å; E1872-N1876 PolarHBondContact O-ND2 2.76Å; I1873-N1876 WeakPolarHBondContact O-CB 3.35Å; I1873-N1876 PolarHBondContact O-N 3.2Å; N1876-H1879 PolarHBondContact O-N 2.75Å; N1876-E1880 WeakPolarHBondContact O-CG 3.43Å; N1876-E1880 PolarHBondContact O-N 3.26Å |
| 1877 | I | 92.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.5 | -45.6 | 173.9 | -70.2 | 166.9 | 0 | 0 | 0 | 110.2 | F1680 A1686 T1689 L1690 L1693 L1727 I1873 T1874 N1875 H1879 E1880 V1881 | F1680-I1877 HydrophobicContact CE2-CD1 3.65Å; F1680-I1877 HydrophobicContact CZ-CD1 3.64Å; F1680-I1877 HydrophobicContact CZ-CG2 4.4Å; A1686-I1877 HydrophobicContact CB-CD1 3.91Å; A1686-I1877 WeakPolarHBondContact O-CD1 3.06Å; T1689-I1877 HydrophobicContact CG2-CD1 4.25Å; T1689-I1877 HydrophobicContact CG2-CG1 4.44Å; T1689-I1877 HydrophobicContact CG2-CG2 4.1Å; L1690-I1877 HydrophobicContact CB-CD1 4.37Å; L1690-I1877 HydrophobicContact CB-CG1 3.74Å; L1690-I1877 HydrophobicContact CD1-CG1 4.03Å; L1690-I1877 HydrophobicContact CG-CG1 4.37Å; L1693-I1877 HydrophobicContact CD1-CG2 4.01Å; L1727-I1877 HydrophobicContact CD1-CG2 4.45Å; L1727-I1877 HydrophobicContact CD2-CG2 4.31Å; I1873-I1877 HydrophobicContact CG2-CD1 3.92Å; I1873-I1877 HydrophobicContact CG2-CG1 4.44Å; I1873-I1877 WeakPolarHBondContact O-CG1 3.16Å; I1873-I1877 PolarHBondContact O-N 3.38Å; T1874-I1877 PolarHBondContact O-N 2.84Å; N1875-I1877 VanDerWaalsContact C-N 3.33Å; N1875-I1877 PolarHBondContact O-N 3.23Å; I1877-H1879 VanDerWaalsContact C-N 3.33Å; I1877-H1879 PolarHBondContact O-N 3.5Å; I1877-E1880 PolarHBondContact O-N 3.09Å; I1877-V1881 HydrophobicContact CG2-CG2 4.27Å; I1877-V1881 WeakPolarHBondContact O-CB 3.48Å; I1877-V1881 VanDerWaalsContact O-CG2 3.31Å; I1877-V1881 WeakPolarHBondContact O-CG2 3.41Å; I1877-V1881 PolarHBondContact O-N 2.8Å |
| 1878 | L | 92 | Very high | 86.9 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 179 | -175.7 | 52.3 | 0 | 0 | 0 | 111.8 | L1728 C1731 V1732 T1874 N1875 V1881 I1882 L1914 Y1918 | L1728-L1878 HydrophobicContact CD2-CD1 3.48Å; L1728-L1878 VanDerWaalsContact CD2-CD1 3.48Å; C1731-L1878 HydrophobicContact CB-CB 4.06Å; C1731-L1878 HydrophobicContact CB-CD1 4.36Å; C1731-L1878 HydrophobicContact CB-CD2 4.43Å; V1732-L1878 HydrophobicContact CG2-CD2 4.43Å; T1874-L1878 PolarHBondContact O-N 3.39Å; N1875-L1878 WeakPolarHBondContact O-CB 3.32Å; N1875-L1878 PolarHBondContact O-N 3.33Å; N1875-L1878 VanDerWaalsContact O-N 3.15Å; L1878-V1881 PolarHBondContact O-N 2.68Å; L1878-I1882 HydrophobicContact CD1-CD1 4.29Å; L1878-I1882 HydrophobicContact CG-CD1 4.24Å; L1878-I1882 WeakPolarHBondContact O-CD1 3.41Å; L1878-I1882 VanDerWaalsContact O-CG1 3.27Å; L1878-I1882 WeakPolarHBondContact O-CG1 3.4Å; L1878-I1882 PolarHBondContact O-N 3.21Å; L1878-L1914 HydrophobicContact CD1-CD2 4.04Å; L1878-L1914 HydrophobicContact CD2-CD2 4.37Å; L1878-Y1918 HydrophobicContact CD2-CE2 4.07Å; L1878-Y1918 VanDerWaalsContact CD2-OH 3.3Å; L1878-Y1918 WeakPolarHBondContact CD2-OH 3.36Å; L1878-Y1918 WeakPolarHBondContact CG-OH 3.24Å |
| 1879 | H | 93.6 | Very high | 88.1 | Confident | 29 Ų | 29 | 24.2 Ų | 24.2 | 13% | 0.134 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.9 | -46.5 | 174 | -57.5 | -22 | 0 | 0 | 0 | 112.3 | N1875 N1876 I1877 V1881 I1882 L1883 Y1918 I1927 F1988 | N1875-H1879 PolarHBondContact O-CD2 2.75Å; N1875-H1879 PolarHBondContact O-N 2.7Å; N1875-H1879 PolarHBondContact O-ND1 3.06Å; N1876-H1879 PolarHBondContact O-N 2.75Å; I1877-H1879 VanDerWaalsContact C-N 3.33Å; I1877-H1879 PolarHBondContact O-N 3.5Å; H1879-V1881 VanDerWaalsContact C-N 3.31Å; H1879-V1881 PolarHBondContact O-N 2.73Å; H1879-I1882 PolarHBondContact O-N 3.42Å; H1879-L1883 WeakPolarHBondContact O-CG 3.19Å; H1879-L1883 PolarHBondContact O-N 3.24Å; H1879-Y1918 AromaticContact CE1-CZ 3.93Å; H1879-Y1918 PolarHBondContact CE1-OH 2.79Å; H1879-Y1918 AromaticContact ND1-CE1 3.91Å; H1879-Y1918 AromaticContact ND1-CZ 3.96Å; H1879-Y1918 PolarHBondContact ND1-OH 3.26Å; H1879-Y1918 VanDerWaalsContact ND1-OH 3.13Å; H1879-I1927 HydrophobicContact CB-CD1 4.21Å; H1879-I1927 HydrophobicContact CB-CG2 4.37Å; H1879-F1988 HydrophobicContact CB-CE1 4.04Å; H1879-F1988 HydrophobicContact CB-CZ 3.92Å |
| 1880 | E | 92.9 | Very high | 88.8 | Confident | 3 Ų | 3 | 20.7 Ų | 20.7 | 1% | 0.014 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -69.8 | -26.1 | 179 | -63.1 | -79.3 | 171.2 | 0 | 0 | 112.8 | L1690 L1693 K1694 N1697 N1876 I1877 C1884 R1987 | L1690-E1880 HydrophobicContact CD1-CG 3.88Å; L1693-E1880 HydrophobicContact CB-CB 3.86Å; L1693-E1880 HydrophobicContact CD1-CB 4.3Å; K1694-E1880 WeakPolarHBondContact CE-OE1 3.33Å; K1694-E1880 HydrophobicContact CG-CG 3.95Å; K1694-E1880 VanDerWaalsContact CG-OE1 3.23Å; K1694-E1880 WeakPolarHBondContact CG-OE1 3.32Å; N1697-E1880 PolarHBondContact ND2-O 2.92Å; N1697-E1880 PolarHBondContact ND2-OE2 2.76Å; N1876-E1880 WeakPolarHBondContact O-CG 3.43Å; N1876-E1880 PolarHBondContact O-N 3.26Å; I1877-E1880 PolarHBondContact O-N 3.09Å; E1880-C1884 WeakPolarHBondContact O-CB 3.27Å; E1880-C1884 PolarHBondContact O-N 3.07Å; E1880-R1987 VanDerWaalsContact CD-NH1 3.33Å; E1880-R1987 IonicContact OE1-CZ 3.5Å; E1880-R1987 VanDerWaalsContact OE1-CZ 3.3Å; E1880-R1987 IonicContact OE1-NH1 2.88Å; E1880-R1987 PolarHBondContact OE1-NH1 2.9Å; E1880-R1987 IonicContact OE1-NH2 2.68Å; E1880-R1987 PolarHBondContact OE1-NH2 2.77Å; E1880-R1987 IonicContact OE2-CZ 3.18Å; E1880-R1987 IonicContact OE2-NH1 3.47Å; E1880-R1987 PolarHBondContact OE2-NH1 3.18Å |
| 1881 | V | 93.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.6 | -46.3 | 168.8 | 164.6 | 0 | 0 | 0 | 0 | 111.1 | L1693 L1724 L1727 L1728 I1877 L1878 H1879 L1883 C1884 I1885 | L1693-V1881 HydrophobicContact CD1-CG2 3.73Å; L1693-V1881 HydrophobicContact CD2-CG2 4.4Å; L1724-V1881 HydrophobicContact CD2-CB 4.44Å; L1724-V1881 HydrophobicContact CD2-CG1 3.9Å; L1724-V1881 HydrophobicContact CD2-CG2 4.32Å; L1727-V1881 HydrophobicContact CB-CG2 3.87Å; L1727-V1881 HydrophobicContact CD1-CG2 3.76Å; L1727-V1881 HydrophobicContact CG-CG2 4.48Å; L1728-V1881 HydrophobicContact CD2-CG1 3.63Å; L1728-V1881 HydrophobicContact CG-CG1 3.86Å; I1877-V1881 HydrophobicContact CG2-CG2 4.27Å; I1877-V1881 WeakPolarHBondContact O-CB 3.48Å; I1877-V1881 VanDerWaalsContact O-CG2 3.31Å; I1877-V1881 WeakPolarHBondContact O-CG2 3.41Å; I1877-V1881 PolarHBondContact O-N 2.8Å; L1878-V1881 PolarHBondContact O-N 2.68Å; H1879-V1881 VanDerWaalsContact C-N 3.31Å; H1879-V1881 PolarHBondContact O-N 2.73Å; V1881-L1883 VanDerWaalsContact C-N 3.32Å; V1881-L1883 PolarHBondContact O-N 2.78Å; V1881-C1884 PolarHBondContact O-N 3.11Å; V1881-I1885 HydrophobicContact CG1-CD1 4.01Å; V1881-I1885 WeakPolarHBondContact O-CG1 3.14Å; V1881-I1885 PolarHBondContact O-N 3.48Å; V1881-I1885 VanDerWaalsContact O-N 3.1Å |
| 1882 | I | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.2 | -39.7 | 176.4 | -65.5 | 162 | 0 | 0 | 0 | 110.5 | L1878 H1879 G1886 L1911 L1914 Y1918 I1927 L1928 T1931 | L1878-I1882 HydrophobicContact CD1-CD1 4.29Å; L1878-I1882 HydrophobicContact CG-CD1 4.24Å; L1878-I1882 WeakPolarHBondContact O-CD1 3.41Å; L1878-I1882 VanDerWaalsContact O-CG1 3.27Å; L1878-I1882 WeakPolarHBondContact O-CG1 3.4Å; L1878-I1882 PolarHBondContact O-N 3.21Å; H1879-I1882 PolarHBondContact O-N 3.42Å; I1882-G1886 PolarHBondContact O-N 2.88Å; I1882-L1911 HydrophobicContact CG1-CD2 4.03Å; I1882-L1914 HydrophobicContact CD1-CD1 3.83Å; I1882-L1914 HydrophobicContact CG1-CD1 4.37Å; I1882-Y1918 HydrophobicContact CD1-CD1 4.11Å; I1882-Y1918 HydrophobicContact CD1-CE1 3.6Å; I1882-I1927 HydrophobicContact CB-CG2 4.19Å; I1882-I1927 HydrophobicContact CD1-CG2 4.49Å; I1882-I1927 HydrophobicContact CG2-CG2 3.95Å; I1882-I1927 WeakPolarHBondContact CG2-O 3.26Å; I1882-L1928 HydrophobicContact CG2-CD1 4.24Å; I1882-T1931 HydrophobicContact CG2-CG2 4.2Å; I1882-T1931 WeakPolarHBondContact O-CG2 3.31Å; I1882-T1931 PolarHBondContact O-OG1 2.73Å |
| 1883 | L | 91.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.4 | -51.4 | 171.4 | -75.2 | -179.6 | 0 | 0 | 0 | 111.6 | N1697 H1879 V1881 I1885 G1886 Y1887 F1988 R1993 | N1697-L1883 WeakPolarHBondContact ND2-CB 3.28Å; H1879-L1883 WeakPolarHBondContact O-CG 3.19Å; H1879-L1883 PolarHBondContact O-N 3.24Å; V1881-L1883 VanDerWaalsContact C-N 3.32Å; V1881-L1883 PolarHBondContact O-N 2.78Å; L1883-I1885 PolarHBondContact O-N 3.38Å; L1883-G1886 PolarHBondContact O-N 2.86Å; L1883-G1886 VanDerWaalsContact O-N 3.14Å; L1883-Y1887 HydrophobicContact CB-CE2 4.34Å; L1883-Y1887 VanDerWaalsContact O-CD2 3.24Å; L1883-Y1887 WeakPolarHBondContact O-CD2 3.26Å; L1883-Y1887 PolarHBondContact O-N 2.73Å; L1883-F1988 HydrophobicContact CD1-CD1 4.19Å; L1883-F1988 HydrophobicContact CD1-CE1 3.59Å; L1883-F1988 HydrophobicContact CD1-CZ 3.9Å; L1883-F1988 HydrophobicContact CD2-CD1 3.56Å; L1883-F1988 HydrophobicContact CD2-CE1 3.68Å; L1883-F1988 HydrophobicContact CG-CD1 4Å; L1883-F1988 HydrophobicContact CG-CE1 3.55Å; L1883-F1988 HydrophobicContact CG-CZ 4.35Å; L1883-R1993 PolarHBondContact O-NH2 3.29Å |
| 1884 | C | 91 | Very high | 90 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 3% | 0.027 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.1 | -42.8 | -175.3 | -173.9 | 0 | 0 | 0 | 0 | 112.7 | N1697 L1724 E1880 V1881 G1886 Y1887 L1888 | N1697-C1884 WeakPolarHBondContact OD1-CA 3.46Å; N1697-C1884 VanDerWaalsContact OD1-CB 3.27Å; N1697-C1884 WeakPolarHBondContact OD1-CB 3.27Å; N1697-C1884 PolarHBondContact OD1-N 3.28Å; L1724-C1884 HydrophobicContact CD2-CB 4.32Å; E1880-C1884 WeakPolarHBondContact O-CB 3.27Å; E1880-C1884 PolarHBondContact O-N 3.07Å; V1881-C1884 PolarHBondContact O-N 3.11Å; C1884-G1886 VanDerWaalsContact C-N 3.34Å; C1884-G1886 PolarHBondContact O-N 2.78Å; C1884-Y1887 PolarHBondContact O-N 2.76Å; C1884-L1888 WeakPolarHBondContact O-CB 3.35Å; C1884-L1888 PolarHBondContact O-N 3.45Å |
| 1885 | I | 91.6 | Very high | 90 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.4 | -40.6 | 176.9 | -61.6 | 160.2 | 0 | 0 | 0 | 110.8 | L1724 L1728 V1881 L1883 L1888 C1889 L1899 L1907 L1911 T1931 | L1724-I1885 HydrophobicContact CD1-CG1 4.04Å; L1724-I1885 HydrophobicContact CD2-CG1 4.24Å; L1728-I1885 HydrophobicContact CD1-CD1 4.15Å; V1881-I1885 HydrophobicContact CG1-CD1 4.01Å; V1881-I1885 WeakPolarHBondContact O-CG1 3.14Å; V1881-I1885 PolarHBondContact O-N 3.48Å; V1881-I1885 VanDerWaalsContact O-N 3.1Å; L1883-I1885 PolarHBondContact O-N 3.38Å; I1885-L1888 PolarHBondContact O-N 3.35Å; I1885-C1889 PolarHBondContact O-N 2.74Å; I1885-L1899 HydrophobicContact CG2-CD2 4.09Å; I1885-L1907 HydrophobicContact CD1-CD1 3.95Å; I1885-L1907 HydrophobicContact CD1-CG 4.37Å; I1885-L1907 HydrophobicContact CG1-CD2 4.46Å; I1885-L1911 HydrophobicContact CD1-CD1 4.1Å; I1885-L1911 HydrophobicContact CD1-CD2 4.03Å; I1885-L1911 HydrophobicContact CD1-CG 4.25Å; I1885-L1911 HydrophobicContact CG2-CD1 3.91Å; I1885-T1931 HydrophobicContact CB-CG2 4.17Å; I1885-T1931 HydrophobicContact CG2-CG2 4.15Å |
| 1886 | G | 90.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59 | -50 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1882 L1883 C1884 L1888 C1889 V1890 T1931 | I1882-G1886 PolarHBondContact O-N 2.88Å; L1883-G1886 PolarHBondContact O-N 2.86Å; L1883-G1886 VanDerWaalsContact O-N 3.14Å; C1884-G1886 VanDerWaalsContact C-N 3.34Å; C1884-G1886 PolarHBondContact O-N 2.78Å; G1886-L1888 VanDerWaalsContact C-N 3.29Å; G1886-L1888 PolarHBondContact O-N 3.01Å; G1886-C1889 PolarHBondContact O-N 2.84Å; G1886-V1890 VanDerWaalsContact O-CG1 3.31Å; G1886-V1890 WeakPolarHBondContact O-CG1 3.16Å; G1886-V1890 PolarHBondContact O-N 2.75Å; G1886-V1890 VanDerWaalsContact O-N 3.07Å; G1886-T1931 WeakPolarHBondContact CA-OG1 3.36Å |
| 1887 | Y | 89.3 | Confident | 89.9 | Confident | 12 Ų | 12 | 21.5 Ų | 21.5 | 5% | 0.047 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.4 | -31.3 | 178.6 | -73.9 | -58.3 | 0 | 0 | 0 | 113.7 | N1697 A1700 Q1708 L1883 C1884 | N1697-Y1887 HydrophobicContact CB-CD2 4.48Å; N1697-Y1887 HydrophobicContact CB-CE2 4.31Å; A1700-Y1887 HydrophobicContact CB-CD1 4.15Å; A1700-Y1887 HydrophobicContact CB-CD2 4.15Å; A1700-Y1887 HydrophobicContact CB-CG 3.79Å; Q1708-Y1887 PolarHBondContact NE2-O 3.42Å; L1883-Y1887 HydrophobicContact CB-CE2 4.34Å; L1883-Y1887 VanDerWaalsContact O-CD2 3.24Å; L1883-Y1887 WeakPolarHBondContact O-CD2 3.26Å; L1883-Y1887 PolarHBondContact O-N 2.73Å; C1884-Y1887 PolarHBondContact O-N 2.76Å |
| 1888 | L | 87.7 | Confident | 89.3 | Confident | 14 Ų | 14 | 22.6 Ų | 22.6 | 7% | 0.073 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.9 | -36.9 | 177.8 | -174.2 | 64.5 | 0 | 0 | 0 | 112.3 | Q1708 L1711 C1884 I1885 G1886 N1895 | Q1708-L1888 WeakPolarHBondContact CG-O 3.45Å; Q1708-L1888 PolarHBondContact NE2-O 3.24Å; L1711-L1888 HydrophobicContact CB-CD1 3.75Å; L1711-L1888 HydrophobicContact CD1-CD1 4.42Å; C1884-L1888 WeakPolarHBondContact O-CB 3.35Å; C1884-L1888 PolarHBondContact O-N 3.45Å; I1885-L1888 PolarHBondContact O-N 3.35Å; G1886-L1888 VanDerWaalsContact C-N 3.29Å; G1886-L1888 PolarHBondContact O-N 3.01Å; L1888-N1895 HydrophobicContact CG-CB 4.22Å; L1888-N1895 WeakPolarHBondContact O-CB 3.32Å; L1888-N1895 PolarHBondContact O-ND2 2.83Å |
| 1889 | C | 89.5 | Confident | 88.8 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -102.9 | -22.5 | -168.4 | -61.9 | 0 | 0 | 0 | 0 | 115.4 | I1885 G1886 L1891 N1892 Q1896 A1934 | I1885-C1889 PolarHBondContact O-N 2.74Å; G1886-C1889 PolarHBondContact O-N 2.84Å; C1889-L1891 PolarHBondContact O-N 3.46Å; C1889-L1891 VanDerWaalsContact O-N 3.12Å; C1889-N1892 PolarHBondContact O-N 3.16Å; C1889-N1892 VanDerWaalsContact O-N 3.1Å; C1889-Q1896 HydrophobicContact CB-CG 3.9Å; C1889-Q1896 WeakPolarHBondContact O-CG 3.27Å; C1889-A1934 CarbonylContact C-O 3.59Å |
| 1890 | V | 90.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 118.1 | -177 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | Q1704 Q1708 G1886 N1892 A1934 F1994 | Q1704-V1890 HydrophobicContact CG-CG1 4.1Å; Q1704-V1890 PolarHBondContact NE2-O 3.42Å; Q1708-V1890 PolarHBondContact NE2-O 3.04Å; G1886-V1890 VanDerWaalsContact O-CG1 3.31Å; G1886-V1890 WeakPolarHBondContact O-CG1 3.16Å; G1886-V1890 PolarHBondContact O-N 2.75Å; G1886-V1890 VanDerWaalsContact O-N 3.07Å; V1890-N1892 VanDerWaalsContact C-N 3.31Å; V1890-N1892 PolarHBondContact O-N 3.3Å; V1890-A1934 HydrophobicContact CB-CB 3.79Å; V1890-F1994 HydrophobicContact CG2-CD2 3.81Å; V1890-F1994 HydrophobicContact CG2-CE2 4.28Å |
| 1891 | L | 87.1 | Confident | 87.1 | Confident | 78 Ų | 78 | 26.3 Ų | 26.3 | 41% | 0.408 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 39.2 | -178.5 | -52 | 178 | 0 | 0 | 0 | 113.8 | C1889 Y1937 F1994 N1995 E1998 | C1889-L1891 PolarHBondContact O-N 3.46Å; C1889-L1891 VanDerWaalsContact O-N 3.12Å; L1891-Y1937 HydrophobicContact CD2-CD1 3.82Å; L1891-Y1937 HydrophobicContact CD2-CE1 3.73Å; L1891-F1994 HydrophobicContact CD2-CE2 4.33Å; L1891-N1995 HydrophobicContact CD1-CB 4.26Å; L1891-E1998 HydrophobicContact CD1-CG 4.22Å; L1891-E1998 HydrophobicContact CD2-CG 4.22Å |
| 1892 | N | 88.5 | Confident | 85.9 | Confident | 34 Ų | 34 | 28.4 Ų | 28.4 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | trans | -142.6 | 98.3 | -179.4 | -167.9 | -56.9 | 0 | 0 | 0 | 112.2 | Q1708 C1889 V1890 D1894 N1895 Q1896 | Q1708-N1892 PolarHBondContact OE1-ND2 2.92Å; C1889-N1892 PolarHBondContact O-N 3.16Å; C1889-N1892 VanDerWaalsContact O-N 3.1Å; V1890-N1892 VanDerWaalsContact C-N 3.31Å; V1890-N1892 PolarHBondContact O-N 3.3Å; N1892-D1894 VanDerWaalsContact C-N 3.3Å; N1892-D1894 PolarHBondContact O-N 3.28Å; N1892-D1894 PolarHBondContact OD1-N 3.49Å; N1892-N1895 HydrophobicContact CB-CB 4.22Å; N1892-N1895 PolarHBondContact O-N 3.23Å; N1892-N1895 WeakPolarHBondContact OD1-CB 3.27Å; N1892-N1895 PolarHBondContact OD1-N 2.75Å; N1892-Q1896 WeakPolarHBondContact O-CB 3.31Å; N1892-Q1896 VanDerWaalsContact O-CG 3.26Å; N1892-Q1896 WeakPolarHBondContact O-CG 3.39Å; N1892-Q1896 PolarHBondContact O-N 3.45Å | ||
| 1893 | S | 87.5 | Confident | 84.8 | Confident | 69 Ų | 69 | 33.8 Ų | 33.8 | 48% | 0.483 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -55.4 | -39.9 | -177.2 | 49.2 | 0 | 0 | 0 | 0 | 114.1 | Q1896 T1897 | S1893-Q1896 PolarHBondContact O-N 3.03Å; S1893-T1897 WeakPolarHBondContact O-CB 3.39Å; S1893-T1897 PolarHBondContact O-N 3.02Å; S1893-T1897 PolarHBondContact O-OG1 2.85Å |
| 1894 | D | 84.9 | Confident | 83.7 | Confident | 118 Ų | 118 | 38.6 Ų | 38.6 | 63% | 0.631 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -75.4 | -43 | -170.5 | -55.3 | -3.5 | 0 | 0 | 0 | 109.4 | N1892 T1897 S1898 | N1892-D1894 VanDerWaalsContact C-N 3.3Å; N1892-D1894 PolarHBondContact O-N 3.28Å; N1892-D1894 PolarHBondContact OD1-N 3.49Å; D1894-T1897 WeakPolarHBondContact O-CB 3.23Å; D1894-T1897 PolarHBondContact O-N 2.85Å; D1894-S1898 PolarHBondContact O-N 2.73Å |
| 1895 | N | 85.8 | Confident | 83 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.6 | -38.6 | 172.5 | -74.6 | -13.8 | 0 | 0 | 0 | 111.9 | Q1708 L1888 N1892 T1897 S1898 L1899 | Q1708-N1895 PolarHBondContact O-ND2 2.74Å; L1888-N1895 HydrophobicContact CG-CB 4.22Å; L1888-N1895 WeakPolarHBondContact O-CB 3.32Å; L1888-N1895 PolarHBondContact O-ND2 2.83Å; N1892-N1895 HydrophobicContact CB-CB 4.22Å; N1892-N1895 PolarHBondContact O-N 3.23Å; N1892-N1895 WeakPolarHBondContact OD1-CB 3.27Å; N1892-N1895 PolarHBondContact OD1-N 2.75Å; N1895-T1897 VanDerWaalsContact C-N 3.33Å; N1895-T1897 PolarHBondContact O-N 3.38Å; N1895-S1898 WeakPolarHBondContact O-CB 3.25Å; N1895-S1898 PolarHBondContact O-N 3.2Å; N1895-S1898 PolarHBondContact O-OG 3Å; N1895-L1899 PolarHBondContact O-N 3.31Å |
| 1896 | Q | 89.5 | Confident | 82.6 | Confident | 9 Ų | 9 | 42 Ų | 42 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60 | -41.1 | 171.7 | -75.3 | 172.8 | -24.6 | 0 | 0 | 112.1 | C1889 N1892 S1893 L1899 A1934 Y1937 H1939 N1942 | C1889-Q1896 HydrophobicContact CB-CG 3.9Å; C1889-Q1896 WeakPolarHBondContact O-CG 3.27Å; N1892-Q1896 WeakPolarHBondContact O-CB 3.31Å; N1892-Q1896 VanDerWaalsContact O-CG 3.26Å; N1892-Q1896 WeakPolarHBondContact O-CG 3.39Å; N1892-Q1896 PolarHBondContact O-N 3.45Å; S1893-Q1896 PolarHBondContact O-N 3.03Å; Q1896-L1899 WeakPolarHBondContact O-CB 3.38Å; Q1896-L1899 WeakPolarHBondContact O-CG 3.17Å; Q1896-L1899 PolarHBondContact O-N 2.73Å; Q1896-A1934 PolarHBondContact NE2-O 3.21Å; Q1896-Y1937 PolarHBondContact NE2-O 2.76Å; Q1896-H1939 HydrophobicContact CB-CB 4.45Å; Q1896-H1939 VanDerWaalsContact CB-CD2 3.42Å; Q1896-H1939 WeakPolarHBondContact CB-CD2 3.14Å; Q1896-H1939 PolarHBondContact OE1-CD2 3.12Å; Q1896-N1942 PolarHBondContact O-ND2 3.03Å |
| 1897 | T | 84.7 | Confident | 82.3 | Confident | 68 Ų | 68 | 42.2 Ų | 42.2 | 42% | 0.417 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 174.8 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | S1893 D1894 N1895 L1899 Q1900 H1939 | S1893-T1897 WeakPolarHBondContact O-CB 3.39Å; S1893-T1897 PolarHBondContact O-N 3.02Å; S1893-T1897 PolarHBondContact O-OG1 2.85Å; D1894-T1897 WeakPolarHBondContact O-CB 3.23Å; D1894-T1897 PolarHBondContact O-N 2.85Å; N1895-T1897 VanDerWaalsContact C-N 3.33Å; N1895-T1897 PolarHBondContact O-N 3.38Å; T1897-L1899 PolarHBondContact O-N 3.03Å; T1897-L1899 VanDerWaalsContact O-N 3.1Å; T1897-Q1900 PolarHBondContact O-N 3.05Å; T1897-H1939 PolarHBondContact N-NE2 3.46Å; T1897-H1939 PolarHBondContact OG1-NE2 2.75Å; T1897-H1939 VanDerWaalsContact OG1-NE2 3.15Å |
| 1898 | S | 81 | Confident | 82.2 | Confident | 23 Ų | 23 | 41.7 Ų | 41.7 | 16% | 0.161 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.1 | -25 | -177.7 | 83.6 | 0 | 0 | 0 | 0 | 114.2 | D1894 N1895 Q1900 C1901 | D1894-S1898 PolarHBondContact O-N 2.73Å; N1895-S1898 WeakPolarHBondContact O-CB 3.25Å; N1895-S1898 PolarHBondContact O-N 3.2Å; N1895-S1898 PolarHBondContact O-OG 3Å; S1898-Q1900 PolarHBondContact O-N 2.74Å; S1898-C1901 PolarHBondContact O-N 2.7Å |
| 1899 | L | 81.3 | Confident | 82.2 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -30.4 | 175.6 | -62.6 | -179.1 | 0 | 0 | 0 | 113.2 | I1885 N1895 Q1896 T1897 L1907 L1908 C1935 | I1885-L1899 HydrophobicContact CG2-CD2 4.09Å; N1895-L1899 PolarHBondContact O-N 3.31Å; Q1896-L1899 WeakPolarHBondContact O-CB 3.38Å; Q1896-L1899 WeakPolarHBondContact O-CG 3.17Å; Q1896-L1899 PolarHBondContact O-N 2.73Å; T1897-L1899 PolarHBondContact O-N 3.03Å; T1897-L1899 VanDerWaalsContact O-N 3.1Å; L1899-L1907 HydrophobicContact CD2-CB 4.4Å; L1899-L1907 HydrophobicContact CD2-CD2 3.78Å; L1899-L1907 HydrophobicContact CD2-CG 4.11Å; L1899-L1907 PolarHBondContact O-N 2.77Å; L1899-L1908 HydrophobicContact CB-CB 4.5Å; L1899-C1935 HydrophobicContact CD1-CB 3.71Å; L1899-C1935 VanDerWaalsContact CD1-SG 3.57Å |
| 1900 | Q | 77.6 | Confident | 82.1 | Confident | 46 Ų | 46 | 46.7 Ų | 46.7 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -23.3 | -178.8 | -59.3 | -142.9 | -1 | 0 | 0 | 113 | T1897 S1898 G1902 L1941 N1942 | T1897-Q1900 PolarHBondContact O-N 3.05Å; S1898-Q1900 PolarHBondContact O-N 2.74Å; Q1900-G1902 PolarHBondContact O-N 3.44Å; Q1900-L1941 VanDerWaalsContact NE2-C 3.31Å; Q1900-L1941 PolarHBondContact NE2-O 3.46Å; Q1900-N1942 VanDerWaalsContact CG-OD1 3.29Å; Q1900-N1942 WeakPolarHBondContact CG-OD1 3.39Å; Q1900-N1942 PolarHBondContact NE2-OD1 3.47Å |
| 1901 | C | 72.7 | Confident | 82 | Confident | 66 Ų | 66 | 46.6 Ų | 46.6 | 45% | 0.446 | 28% | 0.283 | S | S | . | . | trans | -69.4 | 115.6 | -175.9 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | R1721 S1898 | R1721-C1901 WeakPolarHBondContact CD-O 3.17Å; R1721-C1901 PolarHBondContact NH1-O 3.08Å; S1898-C1901 PolarHBondContact O-N 2.7Å | ||
| 1902 | G | 67.6 | Low | 82 | Confident | 44 Ų | 44 | 43.7 Ų | 43.7 | 45% | 0.454 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 145.5 | 176.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1900 | Q1900-G1902 PolarHBondContact O-N 3.44Š|
| 1903 | P | 71.5 | Confident | 81.9 | Confident | 112 Ų | 112 | 45.6 Ų | 45.6 | 73% | 0.727 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -67 | 139.4 | 171.2 | 29.2 | -34 | 0 | 0 | 0 | 110.7 | P1905 | P1903-P1905 CarbonylContact O-C 3.56Š|
| 1904 | S | 68.2 | Low | 82 | Confident | 101 Ų | 101 | 42.9 Ų | 42.9 | 71% | 0.706 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -65.8 | 142.8 | 175.2 | 55.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1905 | P | 75.3 | Confident | 82.1 | Confident | 63 Ų | 63 | 38.6 Ų | 38.6 | 41% | 0.409 | 24% | 0.242 | S | C | . | . | S | Bend | cis | -74.5 | 131 | -0.9 | 26.9 | -31.6 | 0 | 0 | 0 | 112.3 | P1903 Q1909 R1910 | P1903-P1905 CarbonylContact O-C 3.56Å; P1905-Q1909 VanDerWaalsContact CA-OE1 3.27Å; P1905-Q1909 HydrophobicContact CB-CB 3.83Å; P1905-R1910 VanDerWaalsContact O-CD 3.28Å; P1905-R1910 WeakPolarHBondContact O-CD 3.27Å; P1905-R1910 PolarHBondContact O-NH1 3.09Å |
| 1906 | N | 85.2 | Confident | 82.2 | Confident | 14 Ų | 14 | 45.2 Ų | 45.2 | 8% | 0.075 | 27% | 0.271 | C | S | . | . | trans | -73 | -176.5 | -179.3 | 68.4 | 26.7 | 0 | 0 | 0 | 112.3 | L1908 Q1909 R1910 | N1906-L1908 PolarHBondContact O-N 2.71Å; N1906-L1908 PolarHBondContact OD1-N 3.4Å; N1906-Q1909 PolarHBondContact O-N 3.21Å; N1906-Q1909 WeakPolarHBondContact OD1-CB 3.36Å; N1906-Q1909 WeakPolarHBondContact OD1-CG 3.26Å; N1906-Q1909 PolarHBondContact OD1-N 2.96Å; N1906-R1910 WeakPolarHBondContact O-CB 3.36Å; N1906-R1910 WeakPolarHBondContact O-CD 3.43Å; N1906-R1910 PolarHBondContact O-N 2.97Å | ||
| 1907 | L | 83.4 | Confident | 82.1 | Confident | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.9 | -36.7 | -173.7 | -177 | 52.3 | 0 | 0 | 0 | 112.2 | L1724 I1725 L1728 I1885 L1899 R1910 L1911 | L1724-L1907 HydrophobicContact CB-CD1 4.3Å; L1724-L1907 HydrophobicContact CB-CD2 4.38Å; L1724-L1907 HydrophobicContact CD1-CD2 4.43Å; I1725-L1907 HydrophobicContact CG1-CB 4.32Å; I1725-L1907 HydrophobicContact CG1-CD1 3.96Å; L1728-L1907 HydrophobicContact CD1-CD1 3.57Å; I1885-L1907 HydrophobicContact CD1-CD1 3.95Å; I1885-L1907 HydrophobicContact CD1-CG 4.37Å; I1885-L1907 HydrophobicContact CG1-CD2 4.46Å; L1899-L1907 HydrophobicContact CD2-CB 4.4Å; L1899-L1907 HydrophobicContact CD2-CD2 3.78Å; L1899-L1907 HydrophobicContact CD2-CG 4.11Å; L1899-L1907 PolarHBondContact O-N 2.77Å; L1907-R1910 WeakPolarHBondContact O-CB 3.48Å; L1907-R1910 PolarHBondContact O-N 2.73Å; L1907-L1911 PolarHBondContact O-N 2.8Å |
| 1908 | L | 86.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.3 | -46.7 | 174.1 | -179.3 | 58.8 | 0 | 0 | 0 | 111.5 | L1899 N1906 R1910 L1911 L1912 L1932 C1935 N1942 V1945 | L1899-L1908 HydrophobicContact CB-CB 4.5Å; N1906-L1908 PolarHBondContact O-N 2.71Å; N1906-L1908 PolarHBondContact OD1-N 3.4Å; L1908-R1910 PolarHBondContact O-N 2.84Å; L1908-L1911 WeakPolarHBondContact O-CB 3.24Å; L1908-L1911 PolarHBondContact O-N 3.33Å; L1908-L1912 WeakPolarHBondContact O-CG 3.38Å; L1908-L1912 PolarHBondContact O-N 3.34Å; L1908-L1932 HydrophobicContact CD1-CD2 4.47Å; L1908-C1935 HydrophobicContact CD1-CB 4.27Å; L1908-N1942 HydrophobicContact CD2-CB 3.78Å; L1908-V1945 HydrophobicContact CD2-CB 4.08Å; L1908-V1945 HydrophobicContact CD2-CG1 3.94Å; L1908-V1945 HydrophobicContact CG-CG1 4.21Å |
| 1909 | Q | 87.1 | Confident | 82.8 | Confident | 63 Ų | 63 | 47.9 Ų | 47.9 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.8 | -34.2 | 175.4 | -71.5 | 168.2 | -25.4 | 0 | 0 | 112 | P1905 N1906 L1912 S1913 V1945 | P1905-Q1909 VanDerWaalsContact CA-OE1 3.27Å; P1905-Q1909 HydrophobicContact CB-CB 3.83Å; N1906-Q1909 PolarHBondContact O-N 3.21Å; N1906-Q1909 WeakPolarHBondContact OD1-CB 3.36Å; N1906-Q1909 WeakPolarHBondContact OD1-CG 3.26Å; N1906-Q1909 PolarHBondContact OD1-N 2.96Å; Q1909-L1912 PolarHBondContact O-N 3.19Å; Q1909-S1913 PolarHBondContact O-N 2.94Å; Q1909-S1913 PolarHBondContact O-OG 2.94Å; Q1909-V1945 HydrophobicContact CG-CG1 3.77Å |
| 1910 | R | 87.5 | Confident | 83.1 | Confident | 56 Ų | 56 | 50.6 Ų | 50.6 | 21% | 0.211 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 170.8 | -110 | 83.8 | 176.5 | -148 | -7.9 | 112.1 | L1728 T1729 P1905 N1906 L1907 L1908 S1913 | L1728-R1910 HydrophobicContact CB-CG 4.41Å; L1728-R1910 HydrophobicContact CD1-CB 3.86Å; L1728-R1910 HydrophobicContact CD1-CG 4.47Å; T1729-R1910 PolarHBondContact OG1-NH2 2.72Å; T1729-R1910 VanDerWaalsContact OG1-NH2 3.15Å; P1905-R1910 VanDerWaalsContact O-CD 3.28Å; P1905-R1910 WeakPolarHBondContact O-CD 3.27Å; P1905-R1910 PolarHBondContact O-NH1 3.09Å; N1906-R1910 WeakPolarHBondContact O-CB 3.36Å; N1906-R1910 WeakPolarHBondContact O-CD 3.43Å; N1906-R1910 PolarHBondContact O-N 2.97Å; L1907-R1910 WeakPolarHBondContact O-CB 3.48Å; L1907-R1910 PolarHBondContact O-N 2.73Å; L1908-R1910 PolarHBondContact O-N 2.84Å; R1910-S1913 WeakPolarHBondContact CA-OG 3.42Å; R1910-S1913 PolarHBondContact O-N 3.3Å; R1910-S1913 PolarHBondContact O-OG 2.92Å |
| 1911 | L | 88.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.6 | -36 | 175.6 | -74.5 | 175.8 | 0 | 0 | 0 | 112.8 | L1728 I1882 I1885 L1907 L1908 S1913 L1914 L1928 T1931 L1932 | L1728-L1911 HydrophobicContact CD1-CD2 4.16Å; L1728-L1911 HydrophobicContact CD1-CG 4.36Å; L1728-L1911 HydrophobicContact CD2-CD2 4.37Å; I1882-L1911 HydrophobicContact CG1-CD2 4.03Å; I1885-L1911 HydrophobicContact CD1-CD1 4.1Å; I1885-L1911 HydrophobicContact CD1-CD2 4.03Å; I1885-L1911 HydrophobicContact CD1-CG 4.25Å; I1885-L1911 HydrophobicContact CG2-CD1 3.91Å; L1907-L1911 PolarHBondContact O-N 2.8Å; L1908-L1911 WeakPolarHBondContact O-CB 3.24Å; L1908-L1911 PolarHBondContact O-N 3.33Å; L1911-S1913 VanDerWaalsContact C-N 3.27Å; L1911-S1913 PolarHBondContact O-N 3.12Å; L1911-L1914 HydrophobicContact CD2-CD1 4.09Å; L1911-L1914 WeakPolarHBondContact O-CB 3.48Å; L1911-L1914 WeakPolarHBondContact O-CD1 3.36Å; L1911-L1914 WeakPolarHBondContact O-CG 3.36Å; L1911-L1914 PolarHBondContact O-N 2.89Å; L1911-L1928 HydrophobicContact CD2-CD1 4.41Å; L1911-T1931 HydrophobicContact CD1-CG2 4.03Å; L1911-L1932 HydrophobicContact CB-CD2 4.46Å |
| 1912 | L | 86.9 | Confident | 84.2 | Confident | 16 Ų | 16 | 53.1 Ų | 53.1 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.8 | -25.5 | 175 | -60.6 | 175.1 | 0 | 0 | 0 | 112.3 | L1908 Q1909 L1914 F1919 L1932 V1945 L1946 E1949 | L1908-L1912 WeakPolarHBondContact O-CG 3.38Å; L1908-L1912 PolarHBondContact O-N 3.34Å; Q1909-L1912 PolarHBondContact O-N 3.19Å; L1912-L1914 VanDerWaalsContact C-N 3.29Å; L1912-L1914 PolarHBondContact O-N 2.79Å; L1912-F1919 WeakPolarHBondContact O-CZ 3.43Å; L1912-L1932 HydrophobicContact CD2-CD2 4.04Å; L1912-V1945 HydrophobicContact CD1-CG1 4.3Å; L1912-V1945 WeakPolarHBondContact CD1-O 3.44Å; L1912-L1946 HydrophobicContact CD2-CD1 3.65Å; L1912-E1949 HydrophobicContact CB-CB 4.35Å; L1912-E1949 HydrophobicContact CB-CG 4.34Å; L1912-E1949 HydrophobicContact CD1-CB 4.46Å; L1912-E1949 HydrophobicContact CD1-CG 4.47Å |
| 1913 | S | 86.6 | Confident | 85 | Confident | 74 Ų | 74 | 52.4 Ų | 52.4 | 52% | 0.517 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 14.5 | 175.5 | 71.8 | 0 | 0 | 0 | 0 | 115.7 | Q1909 R1910 L1911 | Q1909-S1913 PolarHBondContact O-N 2.94Å; Q1909-S1913 PolarHBondContact O-OG 2.94Å; R1910-S1913 WeakPolarHBondContact CA-OG 3.42Å; R1910-S1913 PolarHBondContact O-N 3.3Å; R1910-S1913 PolarHBondContact O-OG 2.92Å; L1911-S1913 VanDerWaalsContact C-N 3.27Å; L1911-S1913 PolarHBondContact O-N 3.12Å |
| 1914 | L | 90 | Very high | 85.9 | Confident | 12 Ų | 12 | 48.5 Ų | 48.5 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -66.6 | 159.8 | 177 | -74.8 | 173.7 | 0 | 0 | 0 | 112.6 | V1732 L1878 I1882 L1911 L1912 Y1918 F1919 L1928 | V1732-L1914 HydrophobicContact CG2-CD2 3.67Å; L1878-L1914 HydrophobicContact CD1-CD2 4.04Å; L1878-L1914 HydrophobicContact CD2-CD2 4.37Å; I1882-L1914 HydrophobicContact CD1-CD1 3.83Å; I1882-L1914 HydrophobicContact CG1-CD1 4.37Å; L1911-L1914 HydrophobicContact CD2-CD1 4.09Å; L1911-L1914 WeakPolarHBondContact O-CB 3.48Å; L1911-L1914 WeakPolarHBondContact O-CD1 3.36Å; L1911-L1914 WeakPolarHBondContact O-CG 3.36Å; L1911-L1914 PolarHBondContact O-N 2.89Å; L1912-L1914 VanDerWaalsContact C-N 3.29Å; L1912-L1914 PolarHBondContact O-N 2.79Å; L1914-Y1918 HydrophobicContact CB-CD2 4.38Å; L1914-Y1918 HydrophobicContact CB-CG 4.45Å; L1914-Y1918 HydrophobicContact CD1-CG 4.45Å; L1914-F1919 HydrophobicContact CB-CE2 3.96Å; L1914-F1919 HydrophobicContact CB-CZ 4.48Å; L1914-L1928 HydrophobicContact CD1-CD1 3.74Å; L1914-L1928 HydrophobicContact CD1-CD2 3.98Å; L1914-L1928 HydrophobicContact CD1-CG 4.45Å |
| 1915 | P | 88.1 | Confident | 86.9 | Confident | 29 Ų | 29 | 45.4 Ų | 45.4 | 19% | 0.188 | 24% | 0.235 | C | C | . | . | trans | -56.4 | 145.8 | 176.2 | -25 | 34.8 | 0 | 0 | 0 | 113 | V1732 E1917 Y1918 | V1732-P1915 HydrophobicContact CG1-CG 4.26Å; P1915-E1917 WeakPolarHBondContact CB-OE2 3.14Å; P1915-E1917 PolarHBondContact O-N 2.86Å; P1915-Y1918 HydrophobicContact CB-CD2 4.34Å; P1915-Y1918 HydrophobicContact CG-CD2 4.41Å; P1915-Y1918 WeakPolarHBondContact O-CB 3.19Å; P1915-Y1918 PolarHBondContact O-N 3.23Å | ||
| 1916 | F | 86.1 | Confident | 87.6 | Confident | 148 Ų | 148 | 43.7 Ų | 43.7 | 65% | 0.649 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -26.4 | -174.1 | 178.3 | -104.3 | 0 | 0 | 0 | 113.5 | Y1918 F1919 S1920 | F1916-Y1918 PolarHBondContact O-N 3.38Å; F1916-F1919 CarbonylContact O-C 3.55Å; F1916-F1919 PolarHBondContact O-N 3.21Å; F1916-S1920 WeakPolarHBondContact CD1-OG 3.16Å; F1916-S1920 VanDerWaalsContact CE1-CB 3.49Å; F1916-S1920 VanDerWaalsContact CE1-OG 3.3Å; F1916-S1920 WeakPolarHBondContact CE1-OG 3Å; F1916-S1920 WeakPolarHBondContact O-CB 3.26Å; F1916-S1920 PolarHBondContact O-N 2.91Å; F1916-S1920 VanDerWaalsContact O-N 3.12Å; F1916-S1920 PolarHBondContact O-OG 3.47Å |
| 1917 | E | 88.4 | Confident | 87.8 | Confident | 108 Ų | 108 | 43 Ų | 43 | 51% | 0.505 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -54.3 | -38.7 | 173.4 | -64.6 | 75.5 | -169.6 | 0 | 0 | 112 | P1915 F1919 S1920 Y1921 L1924 | P1915-E1917 WeakPolarHBondContact CB-OE2 3.14Å; P1915-E1917 PolarHBondContact O-N 2.86Å; E1917-F1919 PolarHBondContact O-N 2.82Å; E1917-S1920 PolarHBondContact O-N 3.21Å; E1917-Y1921 WeakPolarHBondContact O-CB 3.15Å; E1917-Y1921 PolarHBondContact O-N 2.74Å; E1917-L1924 HydrophobicContact CB-CD1 3.91Å |
| 1918 | Y | 90.1 | Very high | 88.4 | Confident | 12 Ų | 12 | 42.8 Ų | 42.8 | 5% | 0.047 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.1 | -19.9 | 176.5 | -76.9 | -92.3 | 0 | 0 | 0 | 114.1 | L1878 H1879 I1882 L1914 P1915 F1916 L1924 L1928 | L1878-Y1918 HydrophobicContact CD2-CE2 4.07Å; L1878-Y1918 VanDerWaalsContact CD2-OH 3.3Å; L1878-Y1918 WeakPolarHBondContact CD2-OH 3.36Å; L1878-Y1918 WeakPolarHBondContact CG-OH 3.24Å; H1879-Y1918 AromaticContact CE1-CZ 3.93Å; H1879-Y1918 PolarHBondContact CE1-OH 2.79Å; H1879-Y1918 AromaticContact ND1-CE1 3.91Å; H1879-Y1918 AromaticContact ND1-CZ 3.96Å; H1879-Y1918 PolarHBondContact ND1-OH 3.26Å; H1879-Y1918 VanDerWaalsContact ND1-OH 3.13Å; I1882-Y1918 HydrophobicContact CD1-CD1 4.11Å; I1882-Y1918 HydrophobicContact CD1-CE1 3.6Å; L1914-Y1918 HydrophobicContact CB-CD2 4.38Å; L1914-Y1918 HydrophobicContact CB-CG 4.45Å; L1914-Y1918 HydrophobicContact CD1-CG 4.45Å; P1915-Y1918 HydrophobicContact CB-CD2 4.34Å; P1915-Y1918 HydrophobicContact CG-CD2 4.41Å; P1915-Y1918 WeakPolarHBondContact O-CB 3.19Å; P1915-Y1918 PolarHBondContact O-N 3.23Å; F1916-Y1918 PolarHBondContact O-N 3.38Å; Y1918-L1924 HydrophobicContact CD1-CB 3.94Å; Y1918-L1924 HydrophobicContact CD1-CD2 4.32Å; Y1918-L1924 HydrophobicContact CD2-CD1 4.42Å; Y1918-L1924 HydrophobicContact CE1-CB 4.42Å; Y1918-L1924 HydrophobicContact CE1-CD2 3.94Å; Y1918-L1924 HydrophobicContact CG-CB 4.27Å; Y1918-L1924 HydrophobicContact CG-CD1 4.45Å; Y1918-L1928 HydrophobicContact CD1-CB 4.36Å |
| 1919 | F | 91 | Very high | 88.7 | Confident | 35 Ų | 35 | 43.2 Ų | 43.2 | 15% | 0.154 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -101.5 | -5.4 | 178.1 | -61.2 | -86.5 | 0 | 0 | 0 | 113 | L1912 L1914 F1916 E1917 Q1925 L1928 Y1929 L1932 L1950 | L1912-F1919 WeakPolarHBondContact O-CZ 3.43Å; L1914-F1919 HydrophobicContact CB-CE2 3.96Å; L1914-F1919 HydrophobicContact CB-CZ 4.48Å; F1916-F1919 CarbonylContact O-C 3.55Å; F1916-F1919 PolarHBondContact O-N 3.21Å; E1917-F1919 PolarHBondContact O-N 2.82Å; F1919-Q1925 PolarHBondContact O-NE2 3.44Å; F1919-L1928 HydrophobicContact CD1-CD2 4.19Å; F1919-L1928 HydrophobicContact CE1-CD2 3.73Å; F1919-L1928 HydrophobicContact CE2-CD2 4.16Å; F1919-L1928 HydrophobicContact CZ-CD2 3.71Å; F1919-Y1929 HydrophobicContact CD1-CE1 4.24Å; F1919-Y1929 PolarHBondContact O-OH 2.8Å; F1919-Y1929 VanDerWaalsContact O-OH 3.06Å; F1919-L1932 HydrophobicContact CE1-CD1 4.44Å; F1919-L1950 HydrophobicContact CD1-CD1 4.26Å; F1919-L1950 HydrophobicContact CD1-CD2 4.33Å; F1919-L1950 HydrophobicContact CE1-CD2 4.3Å |
| 1920 | S | 87.4 | Confident | 89.1 | Confident | 58 Ų | 58 | 40.3 Ų | 40.3 | 41% | 0.406 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -134.3 | -18.4 | -170 | 59.3 | 0 | 0 | 0 | 0 | 115.9 | F1916 E1917 | F1916-S1920 WeakPolarHBondContact CD1-OG 3.16Å; F1916-S1920 VanDerWaalsContact CE1-CB 3.49Å; F1916-S1920 VanDerWaalsContact CE1-OG 3.3Å; F1916-S1920 WeakPolarHBondContact CE1-OG 3Å; F1916-S1920 WeakPolarHBondContact O-CB 3.26Å; F1916-S1920 PolarHBondContact O-N 2.91Å; F1916-S1920 VanDerWaalsContact O-N 3.12Å; F1916-S1920 PolarHBondContact O-OG 3.47Å; E1917-S1920 PolarHBondContact O-N 3.21Å |
| 1921 | Y | 86.6 | Confident | 89.4 | Confident | 113 Ų | 113 | 37.6 Ų | 37.6 | 44% | 0.443 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -104.1 | 116 | 176.1 | -173.2 | -127.5 | 0 | 0 | 0 | 110.3 | E1917 P1923 L1924 Q1925 E1982 | E1917-Y1921 WeakPolarHBondContact O-CB 3.15Å; E1917-Y1921 PolarHBondContact O-N 2.74Å; Y1921-P1923 HydrophobicContact CD1-CB 4.19Å; Y1921-P1923 HydrophobicContact CD1-CG 4.13Å; Y1921-P1923 HydrophobicContact CE1-CB 3.86Å; Y1921-P1923 HydrophobicContact CE1-CG 3.61Å; Y1921-P1923 HydrophobicContact CE2-CG 4.26Å; Y1921-L1924 HydrophobicContact CD1-CD1 4.23Å; Y1921-L1924 HydrophobicContact CD1-CG 4.09Å; Y1921-L1924 WeakPolarHBondContact O-CA 3.28Å; Y1921-L1924 PolarHBondContact O-N 2.85Å; Y1921-Q1925 PolarHBondContact O-N 3.22Å; Y1921-E1982 PolarHBondContact OH-OE2 2.7Å |
| 1922 | C | 86.2 | Confident | 89.6 | Confident | 53 Ų | 53 | 37.6 Ų | 37.6 | 36% | 0.358 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -48.2 | -46.5 | -172.5 | 172.5 | 0 | 0 | 0 | 0 | 114.7 | L1924 Q1925 N1926 | C1922-L1924 VanDerWaalsContact C-N 3.29Å; C1922-L1924 PolarHBondContact O-N 2.73Å; C1922-Q1925 VanDerWaalsContact CA-OE1 3.31Å; C1922-Q1925 WeakPolarHBondContact O-CB 3.44Å; C1922-Q1925 PolarHBondContact O-N 2.74Å; C1922-N1926 PolarHBondContact O-N 2.89Å; C1922-N1926 PolarHBondContact O-ND2 3.32Å |
| 1923 | P | 84.9 | Confident | 90 | Very high | 28 Ų | 28 | 36.9 Ų | 36.9 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.9 | -36.3 | 174.5 | -29.1 | 37.8 | 0 | 0 | 0 | 114.4 | Y1921 L1984 | Y1921-P1923 HydrophobicContact CD1-CB 4.19Å; Y1921-P1923 HydrophobicContact CD1-CG 4.13Å; Y1921-P1923 HydrophobicContact CE1-CB 3.86Å; Y1921-P1923 HydrophobicContact CE1-CG 3.61Å; Y1921-P1923 HydrophobicContact CE2-CG 4.26Å; P1923-L1984 HydrophobicContact CB-CD1 4.02Å; P1923-L1984 WeakPolarHBondContact O-CD1 3.42Å |
| 1924 | L | 89.2 | Confident | 90.4 | Very high | 30 Ų | 30 | 33.4 Ų | 33.4 | 16% | 0.157 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -82.2 | -29.8 | 177 | -64.4 | 174.9 | 0 | 0 | 0 | 112.8 | E1917 Y1918 Y1921 C1922 N1926 I1927 L1928 | E1917-L1924 HydrophobicContact CB-CD1 3.91Å; Y1918-L1924 HydrophobicContact CD1-CB 3.94Å; Y1918-L1924 HydrophobicContact CD1-CD2 4.32Å; Y1918-L1924 HydrophobicContact CD2-CD1 4.42Å; Y1918-L1924 HydrophobicContact CE1-CB 4.42Å; Y1918-L1924 HydrophobicContact CE1-CD2 3.94Å; Y1918-L1924 HydrophobicContact CG-CB 4.27Å; Y1918-L1924 HydrophobicContact CG-CD1 4.45Å; Y1921-L1924 HydrophobicContact CD1-CD1 4.23Å; Y1921-L1924 HydrophobicContact CD1-CG 4.09Å; Y1921-L1924 WeakPolarHBondContact O-CA 3.28Å; Y1921-L1924 PolarHBondContact O-N 2.85Å; C1922-L1924 VanDerWaalsContact C-N 3.29Å; C1922-L1924 PolarHBondContact O-N 2.73Å; L1924-N1926 VanDerWaalsContact C-N 3.27Å; L1924-N1926 PolarHBondContact O-N 3.1Å; L1924-I1927 HydrophobicContact CD2-CD1 4.13Å; L1924-I1927 WeakPolarHBondContact O-CB 3.28Å; L1924-I1927 PolarHBondContact O-N 3.16Å; L1924-L1928 PolarHBondContact O-N 2.91Å |
| 1925 | Q | 90.6 | Very high | 90.5 | Very high | 36 Ų | 36 | 32.8 Ų | 32.8 | 17% | 0.168 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.8 | -40.7 | 168.8 | -67 | 171.4 | -32.9 | 0 | 0 | 110.4 | F1919 Y1921 C1922 I1927 L1928 Y1929 | F1919-Q1925 PolarHBondContact O-NE2 3.44Å; Y1921-Q1925 PolarHBondContact O-N 3.22Å; C1922-Q1925 VanDerWaalsContact CA-OE1 3.31Å; C1922-Q1925 WeakPolarHBondContact O-CB 3.44Å; C1922-Q1925 PolarHBondContact O-N 2.74Å; Q1925-I1927 PolarHBondContact O-N 3.39Å; Q1925-I1927 VanDerWaalsContact O-N 3.17Å; Q1925-L1928 PolarHBondContact O-N 2.67Å; Q1925-Y1929 HydrophobicContact CB-CD1 4.4Å; Q1925-Y1929 HydrophobicContact CB-CD2 4.02Å; Q1925-Y1929 HydrophobicContact CB-CE1 4.34Å; Q1925-Y1929 HydrophobicContact CB-CE2 3.97Å; Q1925-Y1929 HydrophobicContact CB-CG 4.25Å; Q1925-Y1929 HydrophobicContact CG-CD2 4.46Å; Q1925-Y1929 HydrophobicContact CG-CE1 4.08Å; Q1925-Y1929 HydrophobicContact CG-CE2 3.91Å; Q1925-Y1929 PolarHBondContact NE2-OH 3.49Å; Q1925-Y1929 WeakPolarHBondContact O-CB 3.33Å; Q1925-Y1929 PolarHBondContact O-N 3.1Å |
| 1926 | N | 89.3 | Confident | 90.7 | Very high | 27 Ų | 27 | 31.4 Ų | 31.4 | 14% | 0.144 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.3 | -20.5 | 173.3 | -70.3 | -32.2 | 0 | 0 | 0 | 114 | C1922 L1924 P1930 Y1958 | C1922-N1926 PolarHBondContact O-N 2.89Å; C1922-N1926 PolarHBondContact O-ND2 3.32Å; L1924-N1926 VanDerWaalsContact C-N 3.27Å; L1924-N1926 PolarHBondContact O-N 3.1Å; N1926-P1930 WeakPolarHBondContact O-CD 3.18Å; N1926-P1930 WeakPolarHBondContact O-CG 3.37Å; N1926-Y1958 VanDerWaalsContact OD1-CE2 3.26Å; N1926-Y1958 WeakPolarHBondContact OD1-CE2 3.18Å; N1926-Y1958 PolarHBondContact OD1-OH 2.79Å |
| 1927 | I | 90.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -86.5 | -47 | 172.6 | -54.8 | -175.9 | 0 | 0 | 0 | 110.7 | H1879 I1882 L1924 Q1925 L1984 F1988 | H1879-I1927 HydrophobicContact CB-CD1 4.21Å; H1879-I1927 HydrophobicContact CB-CG2 4.37Å; I1882-I1927 HydrophobicContact CB-CG2 4.19Å; I1882-I1927 HydrophobicContact CD1-CG2 4.49Å; I1882-I1927 HydrophobicContact CG2-CG2 3.95Å; I1882-I1927 WeakPolarHBondContact CG2-O 3.26Å; L1924-I1927 HydrophobicContact CD2-CD1 4.13Å; L1924-I1927 WeakPolarHBondContact O-CB 3.28Å; L1924-I1927 PolarHBondContact O-N 3.16Å; Q1925-I1927 PolarHBondContact O-N 3.39Å; Q1925-I1927 VanDerWaalsContact O-N 3.17Å; I1927-L1984 HydrophobicContact CD1-CD1 4.29Å; I1927-L1984 HydrophobicContact CD1-CD2 4.47Å; I1927-L1984 HydrophobicContact CG1-CD1 4.18Å; I1927-F1988 HydrophobicContact CB-CD1 4.14Å; I1927-F1988 HydrophobicContact CB-CE1 4.38Å; I1927-F1988 HydrophobicContact CD1-CD1 4.04Å; I1927-F1988 HydrophobicContact CD1-CE1 3.87Å; I1927-F1988 HydrophobicContact CD1-CZ 4.26Å; I1927-F1988 HydrophobicContact CG1-CD1 3.59Å; I1927-F1988 HydrophobicContact CG1-CE1 3.9Å; I1927-F1988 HydrophobicContact CG1-CG 4.14Å; I1927-F1988 HydrophobicContact CG2-CD1 3.9Å; I1927-F1988 HydrophobicContact CG2-CE1 3.75Å |
| 1928 | L | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -82.2 | -48 | -171.5 | 179.1 | 59.3 | 0 | 0 | 0 | 114.1 | I1882 L1911 L1914 Y1918 F1919 L1924 Q1925 T1931 L1932 | I1882-L1928 HydrophobicContact CG2-CD1 4.24Å; L1911-L1928 HydrophobicContact CD2-CD1 4.41Å; L1914-L1928 HydrophobicContact CD1-CD1 3.74Å; L1914-L1928 HydrophobicContact CD1-CD2 3.98Å; L1914-L1928 HydrophobicContact CD1-CG 4.45Å; Y1918-L1928 HydrophobicContact CD1-CB 4.36Å; F1919-L1928 HydrophobicContact CD1-CD2 4.19Å; F1919-L1928 HydrophobicContact CE1-CD2 3.73Å; F1919-L1928 HydrophobicContact CE2-CD2 4.16Å; F1919-L1928 HydrophobicContact CZ-CD2 3.71Å; L1924-L1928 PolarHBondContact O-N 2.91Å; Q1925-L1928 PolarHBondContact O-N 2.67Å; L1928-T1931 WeakPolarHBondContact O-CA 3.32Å; L1928-T1931 WeakPolarHBondContact O-CB 3.45Å; L1928-T1931 PolarHBondContact O-N 2.91Å; L1928-L1932 HydrophobicContact CD1-CD1 4.3Å; L1928-L1932 HydrophobicContact CD1-CD2 4.21Å; L1928-L1932 HydrophobicContact CD1-CG 3.97Å; L1928-L1932 HydrophobicContact CD2-CD1 4.26Å; L1928-L1932 HydrophobicContact CG-CD1 3.92Å; L1928-L1932 HydrophobicContact CG-CG 4.05Å; L1928-L1932 PolarHBondContact O-N 2.91Å |
| 1929 | Y | 95 | Very high | 91.3 | Very high | 10 Ų | 10 | 26.6 Ų | 26.6 | 4% | 0.039 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.9 | -40.2 | -170.4 | -69.8 | 5.6 | 0 | 0 | 0 | 112.9 | F1919 Q1925 T1931 L1932 I1933 I1954 L1955 Y1958 | F1919-Y1929 HydrophobicContact CD1-CE1 4.24Å; F1919-Y1929 PolarHBondContact O-OH 2.8Å; F1919-Y1929 VanDerWaalsContact O-OH 3.06Å; Q1925-Y1929 HydrophobicContact CB-CD1 4.4Å; Q1925-Y1929 HydrophobicContact CB-CD2 4.02Å; Q1925-Y1929 HydrophobicContact CB-CE1 4.34Å; Q1925-Y1929 HydrophobicContact CB-CE2 3.97Å; Q1925-Y1929 HydrophobicContact CB-CG 4.25Å; Q1925-Y1929 HydrophobicContact CG-CD2 4.46Å; Q1925-Y1929 HydrophobicContact CG-CE1 4.08Å; Q1925-Y1929 HydrophobicContact CG-CE2 3.91Å; Q1925-Y1929 PolarHBondContact NE2-OH 3.49Å; Q1925-Y1929 WeakPolarHBondContact O-CB 3.33Å; Q1925-Y1929 PolarHBondContact O-N 3.1Å; Y1929-T1931 VanDerWaalsContact C-N 3.26Å; Y1929-T1931 PolarHBondContact O-N 2.92Å; Y1929-L1932 HydrophobicContact CD1-CD1 4.26Å; Y1929-L1932 PolarHBondContact O-N 3.06Å; Y1929-L1932 VanDerWaalsContact O-N 3.16Å; Y1929-I1933 VanDerWaalsContact O-CG1 3.32Å; Y1929-I1933 WeakPolarHBondContact O-CG1 3.41Å; Y1929-I1933 PolarHBondContact O-N 3.41Å; Y1929-I1954 HydrophobicContact CE2-CG2 3.95Å; Y1929-L1955 HydrophobicContact CD1-CD2 4.27Å; Y1929-L1955 HydrophobicContact CD2-CD2 4.32Å; Y1929-L1955 HydrophobicContact CG-CD2 3.97Å; Y1929-Y1958 HydrophobicContact CD2-CD1 4.34Å; Y1929-Y1958 AromaticContact CD2-CD2 3.72Å; Y1929-Y1958 HydrophobicContact CD2-CD2 3.72Å; Y1929-Y1958 HydrophobicContact CD2-CE2 4.37Å; Y1929-Y1958 AromaticContact CD2-CG 3.7Å; Y1929-Y1958 HydrophobicContact CD2-CG 3.7Å; Y1929-Y1958 HydrophobicContact CG-CG 4.47Å |
| 1930 | P | 94.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.7 | -35.9 | 170.3 | -30 | 38.9 | 0 | 0 | 0 | 114.3 | N1926 A1934 Y1958 F1990 R1993 | N1926-P1930 WeakPolarHBondContact O-CD 3.18Å; N1926-P1930 WeakPolarHBondContact O-CG 3.37Å; P1930-A1934 WeakPolarHBondContact O-CB 3.16Å; P1930-A1934 PolarHBondContact O-N 2.82Å; P1930-Y1958 HydrophobicContact CG-CE1 4.14Å; P1930-F1990 HydrophobicContact CB-CD2 3.83Å; P1930-F1990 HydrophobicContact CB-CE2 4.32Å; P1930-F1990 HydrophobicContact CG-CB 4.48Å; P1930-F1990 HydrophobicContact CG-CD2 3.77Å; P1930-R1993 HydrophobicContact CB-CB 3.78Å; P1930-R1993 HydrophobicContact CB-CG 4.17Å |
| 1931 | T | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -73.1 | -39.7 | 175.8 | -73 | 0 | 0 | 0 | 0 | 111.5 | I1882 I1885 G1886 L1911 L1928 Y1929 I1933 A1934 C1935 R1993 | I1882-T1931 HydrophobicContact CG2-CG2 4.2Å; I1882-T1931 WeakPolarHBondContact O-CG2 3.31Å; I1882-T1931 PolarHBondContact O-OG1 2.73Å; I1885-T1931 HydrophobicContact CB-CG2 4.17Å; I1885-T1931 HydrophobicContact CG2-CG2 4.15Å; G1886-T1931 WeakPolarHBondContact CA-OG1 3.36Å; L1911-T1931 HydrophobicContact CD1-CG2 4.03Å; L1928-T1931 WeakPolarHBondContact O-CA 3.32Å; L1928-T1931 WeakPolarHBondContact O-CB 3.45Å; L1928-T1931 PolarHBondContact O-N 2.91Å; Y1929-T1931 VanDerWaalsContact C-N 3.26Å; Y1929-T1931 PolarHBondContact O-N 2.92Å; T1931-I1933 PolarHBondContact O-N 3.5Å; T1931-A1934 PolarHBondContact O-N 2.7Å; T1931-C1935 WeakPolarHBondContact O-CB 3.25Å; T1931-C1935 PolarHBondContact O-N 2.74Å; T1931-C1935 PolarHBondContact O-SG 2.81Å; T1931-R1993 PolarHBondContact OG1-NH1 2.89Å |
| 1932 | L | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.1 | -41 | 174.4 | -65.1 | 178.7 | 0 | 0 | 0 | 112 | L1908 L1911 L1912 F1919 L1928 Y1929 C1935 C1936 L1950 L1955 | L1908-L1932 HydrophobicContact CD1-CD2 4.47Å; L1911-L1932 HydrophobicContact CB-CD2 4.46Å; L1912-L1932 HydrophobicContact CD2-CD2 4.04Å; F1919-L1932 HydrophobicContact CE1-CD1 4.44Å; L1928-L1932 HydrophobicContact CD1-CD1 4.3Å; L1928-L1932 HydrophobicContact CD1-CD2 4.21Å; L1928-L1932 HydrophobicContact CD1-CG 3.97Å; L1928-L1932 HydrophobicContact CD2-CD1 4.26Å; L1928-L1932 HydrophobicContact CG-CD1 3.92Å; L1928-L1932 HydrophobicContact CG-CG 4.05Å; L1928-L1932 PolarHBondContact O-N 2.91Å; Y1929-L1932 HydrophobicContact CD1-CD1 4.26Å; Y1929-L1932 PolarHBondContact O-N 3.06Å; Y1929-L1932 VanDerWaalsContact O-N 3.16Å; L1932-C1935 PolarHBondContact O-N 3.3Å; L1932-C1936 WeakPolarHBondContact O-CB 3.18Å; L1932-C1936 PolarHBondContact O-N 3.2Å; L1932-L1950 HydrophobicContact CD1-CD2 4.24Å; L1932-L1955 HydrophobicContact CB-CD1 4.08Å; L1932-L1955 HydrophobicContact CB-CD2 4.21Å; L1932-L1955 HydrophobicContact CD1-CD2 4.39Å |
| 1933 | I | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.6 | -51.3 | 172.7 | -72 | 162.3 | 0 | 0 | 0 | 110.2 | Y1929 T1931 C1935 C1936 Y1937 L1955 Y1958 I1959 F1990 F1994 F2006 | Y1929-I1933 VanDerWaalsContact O-CG1 3.32Å; Y1929-I1933 WeakPolarHBondContact O-CG1 3.41Å; Y1929-I1933 PolarHBondContact O-N 3.41Å; T1931-I1933 PolarHBondContact O-N 3.5Å; I1933-C1935 VanDerWaalsContact C-N 3.29Å; I1933-C1935 PolarHBondContact O-N 2.84Å; I1933-C1936 PolarHBondContact O-N 3.46Å; I1933-Y1937 VanDerWaalsContact O-CB 3.26Å; I1933-Y1937 WeakPolarHBondContact O-CB 3.21Å; I1933-Y1937 PolarHBondContact O-N 3.48Å; I1933-L1955 HydrophobicContact CG1-CB 4.14Å; I1933-L1955 HydrophobicContact CG1-CD1 4.21Å; I1933-L1955 HydrophobicContact CG1-CD2 4.42Å; I1933-L1955 HydrophobicContact CG1-CG 4.49Å; I1933-Y1958 HydrophobicContact CD1-CD1 3.91Å; I1933-Y1958 HydrophobicContact CD1-CE1 4.3Å; I1933-I1959 HydrophobicContact CD1-CD1 3.85Å; I1933-I1959 HydrophobicContact CD1-CG1 3.62Å; I1933-I1959 HydrophobicContact CG1-CD1 4.22Å; I1933-F1990 HydrophobicContact CD1-CE2 3.87Å; I1933-F1990 HydrophobicContact CD1-CZ 3.95Å; I1933-F1990 HydrophobicContact CG2-CE2 4.4Å; I1933-F1994 HydrophobicContact CG2-CD1 4.11Å; I1933-F1994 HydrophobicContact CG2-CD2 3.89Å; I1933-F1994 HydrophobicContact CG2-CE1 4.09Å; I1933-F1994 HydrophobicContact CG2-CE2 3.87Å; I1933-F1994 HydrophobicContact CG2-CG 4.02Å; I1933-F1994 HydrophobicContact CG2-CZ 3.98Å; I1933-F2006 HydrophobicContact CB-CE2 4.32Å; I1933-F2006 HydrophobicContact CG1-CE2 4.08Å; I1933-F2006 HydrophobicContact CG2-CE2 4.16Å |
| 1934 | A | 93.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.9 | -33.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | C1889 V1890 Q1896 P1930 T1931 | C1889-A1934 CarbonylContact C-O 3.59Å; V1890-A1934 HydrophobicContact CB-CB 3.79Å; Q1896-A1934 PolarHBondContact NE2-O 3.21Å; P1930-A1934 WeakPolarHBondContact O-CB 3.16Å; P1930-A1934 PolarHBondContact O-N 2.82Å; T1931-A1934 PolarHBondContact O-N 2.7Å |
| 1935 | C | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -79.2 | -29.1 | 178.9 | -66.5 | 0 | 0 | 0 | 0 | 114.2 | L1899 L1908 T1931 L1932 I1933 N1942 | L1899-C1935 HydrophobicContact CD1-CB 3.71Å; L1899-C1935 VanDerWaalsContact CD1-SG 3.57Å; L1908-C1935 HydrophobicContact CD1-CB 4.27Å; T1931-C1935 WeakPolarHBondContact O-CB 3.25Å; T1931-C1935 PolarHBondContact O-N 2.74Å; T1931-C1935 PolarHBondContact O-SG 2.81Å; L1932-C1935 PolarHBondContact O-N 3.3Å; I1933-C1935 VanDerWaalsContact C-N 3.29Å; I1933-C1935 PolarHBondContact O-N 2.84Å; C1935-N1942 PolarHBondContact O-ND2 3.48Å |
| 1936 | C | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -112.4 | -19.1 | -170.7 | -62.4 | 0 | 0 | 0 | 0 | 115.1 | L1932 I1933 E1938 H1939 N1942 T1943 L1946 Y2005 F2006 | L1932-C1936 WeakPolarHBondContact O-CB 3.18Å; L1932-C1936 PolarHBondContact O-N 3.2Å; I1933-C1936 PolarHBondContact O-N 3.46Å; C1936-E1938 PolarHBondContact O-N 3.48Å; C1936-H1939 PolarHBondContact O-N 2.91Å; C1936-H1939 VanDerWaalsContact O-N 3.09Å; C1936-N1942 HydrophobicContact CB-CB 4.47Å; C1936-T1943 PolarHBondContact O-OG1 2.87Å; C1936-L1946 HydrophobicContact CB-CD2 4.43Å; C1936-Y2005 WeakPolarHBondContact O-CE1 3.44Å; C1936-F2006 HydrophobicContact CB-CE1 3.83Å; C1936-F2006 HydrophobicContact CB-CZ 3.96Å |
| 1937 | Y | 94.2 | Very high | 91.4 | Very high | 9 Ų | 9 | 27.9 Ų | 27.9 | 4% | 0.035 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 131.6 | 179.4 | 177.8 | -120 | 0 | 0 | 0 | 111.1 | L1891 Q1896 I1933 H1939 F1994 E1998 S2001 A2002 Y2005 | L1891-Y1937 HydrophobicContact CD2-CD1 3.82Å; L1891-Y1937 HydrophobicContact CD2-CE1 3.73Å; Q1896-Y1937 PolarHBondContact NE2-O 2.76Å; I1933-Y1937 VanDerWaalsContact O-CB 3.26Å; I1933-Y1937 WeakPolarHBondContact O-CB 3.21Å; I1933-Y1937 PolarHBondContact O-N 3.48Å; Y1937-H1939 PolarHBondContact O-N 2.74Å; Y1937-F1994 HydrophobicContact CD1-CE2 4.04Å; Y1937-F1994 AromaticContact CD1-CZ 3.62Å; Y1937-F1994 HydrophobicContact CD1-CZ 3.62Å; Y1937-F1994 AromaticContact CE1-CZ 3.94Å; Y1937-F1994 HydrophobicContact CE1-CZ 3.94Å; Y1937-F1994 HydrophobicContact CG-CE2 4.43Å; Y1937-F1994 AromaticContact CG-CZ 3.96Å; Y1937-F1994 HydrophobicContact CG-CZ 3.96Å; Y1937-E1998 HydrophobicContact CE1-CB 4.31Å; Y1937-E1998 PolarHBondContact OH-OE2 3.27Å; Y1937-S2001 WeakPolarHBondContact OH-CB 3.44Å; Y1937-A2002 HydrophobicContact CD2-CB 3.73Å; Y1937-A2002 VanDerWaalsContact CE2-CA 3.43Å; Y1937-A2002 HydrophobicContact CE2-CB 3.73Å; Y1937-A2002 HydrophobicContact CG-CB 4.4Å; Y1937-Y2005 HydrophobicContact CD2-CD1 4.23Å; Y1937-Y2005 HydrophobicContact CD2-CG 4.16Å |
| 1938 | E | 90.2 | Very high | 91.2 | Very high | 136 Ų | 136 | 32.5 Ų | 32.5 | 64% | 0.636 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59 | -1.9 | -173.7 | -57.2 | -167.3 | 122 | 0 | 0 | 116.5 | C1936 | C1936-E1938 PolarHBondContact O-N 3.48Š|
| 1939 | H | 92.1 | Very high | 90.8 | Very high | 22 Ų | 22 | 39.5 Ų | 39.5 | 10% | 0.102 | 21% | 0.209 | C | C | . | . | trans | -108 | 81.8 | -171.3 | -164.9 | -70.3 | 0 | 0 | 0 | 112.7 | Q1896 T1897 C1936 Y1937 L1941 N1942 T1943 Y2005 | Q1896-H1939 HydrophobicContact CB-CB 4.45Å; Q1896-H1939 VanDerWaalsContact CB-CD2 3.42Å; Q1896-H1939 WeakPolarHBondContact CB-CD2 3.14Å; Q1896-H1939 PolarHBondContact OE1-CD2 3.12Å; T1897-H1939 PolarHBondContact N-NE2 3.46Å; T1897-H1939 PolarHBondContact OG1-NE2 2.75Å; T1897-H1939 VanDerWaalsContact OG1-NE2 3.15Å; C1936-H1939 PolarHBondContact O-N 2.91Å; C1936-H1939 VanDerWaalsContact O-N 3.09Å; Y1937-H1939 PolarHBondContact O-N 2.74Å; H1939-L1941 VanDerWaalsContact C-N 3.27Å; H1939-L1941 PolarHBondContact O-N 2.77Å; H1939-N1942 HydrophobicContact CB-CB 4.27Å; H1939-N1942 WeakPolarHBondContact ND1-CB 3.2Å; H1939-N1942 VanDerWaalsContact ND1-CG 3.3Å; H1939-N1942 PolarHBondContact ND1-N 3.16Å; H1939-N1942 PolarHBondContact ND1-ND2 2.83Å; H1939-N1942 WeakPolarHBondContact O-CA 3.47Å; H1939-N1942 PolarHBondContact O-N 2.84Å; H1939-T1943 PolarHBondContact O-N 3.44Å; H1939-T1943 VanDerWaalsContact O-N 3.09Å; H1939-T1943 PolarHBondContact O-OG1 2.72Å; H1939-Y2005 PolarHBondContact N-OH 2.87Å | ||
| 1940 | T | 88.1 | Confident | 90.5 | Very high | 111 Ų | 111 | 40.1 Ų | 40.1 | 68% | 0.681 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -43 | -45.2 | -175.4 | 56.4 | 0 | 0 | 0 | 0 | 114.8 | N1942 T1943 S1944 | T1940-N1942 VanDerWaalsContact C-N 3.33Å; T1940-N1942 PolarHBondContact O-N 2.77Å; T1940-T1943 PolarHBondContact O-N 3.37Å; T1940-S1944 PolarHBondContact O-N 3.23Å |
| 1941 | L | 87 | Confident | 90.3 | Very high | 96 Ų | 96 | 42.9 Ų | 42.9 | 50% | 0.503 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.9 | -28.7 | -178.5 | -167.2 | 67.2 | 0 | 0 | 0 | 112.9 | Q1900 H1939 S1944 V1945 | Q1900-L1941 VanDerWaalsContact NE2-C 3.31Å; Q1900-L1941 PolarHBondContact NE2-O 3.46Å; H1939-L1941 VanDerWaalsContact C-N 3.27Å; H1939-L1941 PolarHBondContact O-N 2.77Å; L1941-S1944 PolarHBondContact O-OG 2.86Å; L1941-V1945 WeakPolarHBondContact O-CG2 3.2Å |
| 1942 | N | 89.7 | Confident | 90.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -78.8 | -38 | 174.4 | -79.2 | -13.6 | 0 | 0 | 0 | 110.3 | Q1896 Q1900 L1908 C1935 C1936 H1939 T1940 S1944 V1945 L1946 | Q1896-N1942 PolarHBondContact O-ND2 3.03Å; Q1900-N1942 VanDerWaalsContact CG-OD1 3.29Å; Q1900-N1942 WeakPolarHBondContact CG-OD1 3.39Å; Q1900-N1942 PolarHBondContact NE2-OD1 3.47Å; L1908-N1942 HydrophobicContact CD2-CB 3.78Å; C1935-N1942 PolarHBondContact O-ND2 3.48Å; C1936-N1942 HydrophobicContact CB-CB 4.47Å; H1939-N1942 HydrophobicContact CB-CB 4.27Å; H1939-N1942 WeakPolarHBondContact ND1-CB 3.2Å; H1939-N1942 VanDerWaalsContact ND1-CG 3.3Å; H1939-N1942 PolarHBondContact ND1-N 3.16Å; H1939-N1942 PolarHBondContact ND1-ND2 2.83Å; H1939-N1942 WeakPolarHBondContact O-CA 3.47Å; H1939-N1942 PolarHBondContact O-N 2.84Å; T1940-N1942 VanDerWaalsContact C-N 3.33Å; T1940-N1942 PolarHBondContact O-N 2.77Å; N1942-S1944 VanDerWaalsContact C-N 3.34Å; N1942-S1944 PolarHBondContact O-N 3.31Å; N1942-V1945 PolarHBondContact O-N 2.74Å; N1942-V1945 VanDerWaalsContact O-N 3.1Å; N1942-L1946 PolarHBondContact O-N 3.45Å |
| 1943 | T | 90.8 | Very high | 90.1 | Very high | 13 Ų | 13 | 45.9 Ų | 45.9 | 8% | 0.08 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 172.6 | -50.2 | 0 | 0 | 0 | 0 | 111.6 | C1936 H1939 T1940 V1945 L1946 E1947 P1952 Y2005 | C1936-T1943 PolarHBondContact O-OG1 2.87Å; H1939-T1943 PolarHBondContact O-N 3.44Å; H1939-T1943 VanDerWaalsContact O-N 3.09Å; H1939-T1943 PolarHBondContact O-OG1 2.72Å; T1940-T1943 PolarHBondContact O-N 3.37Å; T1943-V1945 PolarHBondContact O-N 3.27Å; T1943-L1946 WeakPolarHBondContact O-CB 3.37Å; T1943-L1946 PolarHBondContact O-N 3.1Å; T1943-L1946 VanDerWaalsContact O-N 3.08Å; T1943-E1947 WeakPolarHBondContact O-CG 3.46Å; T1943-E1947 PolarHBondContact O-N 2.88Å; T1943-P1952 HydrophobicContact CG2-CG 4.25Å; T1943-Y2005 HydrophobicContact CG2-CE1 4.44Å; T1943-Y2005 PolarHBondContact OG1-OH 2.84Å |
| 1944 | S | 86.9 | Confident | 89.9 | Confident | 53 Ų | 53 | 48 Ų | 48 | 37% | 0.371 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.7 | -23.3 | 174.8 | 76.7 | 0 | 0 | 0 | 0 | 114.5 | T1940 L1941 N1942 | T1940-S1944 PolarHBondContact O-N 3.23Å; L1941-S1944 PolarHBondContact O-OG 2.86Å; N1942-S1944 VanDerWaalsContact C-N 3.34Å; N1942-S1944 PolarHBondContact O-N 3.31Å |
| 1945 | V | 87.3 | Confident | 90 | Very high | 17 Ų | 17 | 48 Ų | 48 | 10% | 0.103 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -87.2 | -30.8 | 174.1 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | L1908 Q1909 L1912 L1941 N1942 T1943 T1948 | L1908-V1945 HydrophobicContact CD2-CB 4.08Å; L1908-V1945 HydrophobicContact CD2-CG1 3.94Å; L1908-V1945 HydrophobicContact CG-CG1 4.21Å; Q1909-V1945 HydrophobicContact CG-CG1 3.77Å; L1912-V1945 HydrophobicContact CD1-CG1 4.3Å; L1912-V1945 WeakPolarHBondContact CD1-O 3.44Å; L1941-V1945 WeakPolarHBondContact O-CG2 3.2Å; N1942-V1945 PolarHBondContact O-N 2.74Å; N1942-V1945 VanDerWaalsContact O-N 3.1Å; T1943-V1945 PolarHBondContact O-N 3.27Å; V1945-T1948 PolarHBondContact O-OG1 2.96Å |
| 1946 | L | 90 | Very high | 90 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.5 | -48.7 | 170 | 179.1 | 67.4 | 0 | 0 | 0 | 110.4 | L1912 C1936 N1942 T1943 T1948 E1949 L1950 P1952 L1955 F2006 | L1912-L1946 HydrophobicContact CD2-CD1 3.65Å; C1936-L1946 HydrophobicContact CB-CD2 4.43Å; N1942-L1946 PolarHBondContact O-N 3.45Å; T1943-L1946 WeakPolarHBondContact O-CB 3.37Å; T1943-L1946 PolarHBondContact O-N 3.1Å; T1943-L1946 VanDerWaalsContact O-N 3.08Å; L1946-T1948 PolarHBondContact O-N 2.96Å; L1946-T1948 VanDerWaalsContact O-N 3.09Å; L1946-E1949 PolarHBondContact O-N 3.29Å; L1946-E1949 VanDerWaalsContact O-N 3.09Å; L1946-L1950 CarbonylContact C-O 3.59Å; L1946-L1950 HydrophobicContact CD1-CB 3.99Å; L1946-L1950 HydrophobicContact CD1-CD2 4.12Å; L1946-L1950 PolarHBondContact O-N 3.44Å; L1946-P1952 HydrophobicContact CD2-CG 4.43Å; L1946-L1955 HydrophobicContact CD2-CD1 3.65Å; L1946-F2006 HydrophobicContact CD2-CE1 4.49Å |
| 1947 | E | 89 | Confident | 90 | Very high | 117 Ų | 117 | 50.8 Ų | 50.8 | 55% | 0.547 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -24.5 | -177.9 | -78 | 169.8 | -142.6 | 0 | 0 | 115.1 | T1943 E1949 L1950 P1952 | T1943-E1947 WeakPolarHBondContact O-CG 3.46Å; T1943-E1947 PolarHBondContact O-N 2.88Å; E1947-E1949 VanDerWaalsContact C-N 3.28Å; E1947-E1949 PolarHBondContact O-N 2.83Å; E1947-L1950 WeakPolarHBondContact CA-O 3.15Å; E1947-P1952 HydrophobicContact CG-CG 3.6Å |
| 1948 | T | 85.5 | Confident | 90.1 | Very high | 96 Ų | 96 | 50.7 Ų | 50.7 | 59% | 0.589 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -24.1 | 179.1 | 61.5 | 0 | 0 | 0 | 0 | 113.1 | V1945 L1946 | V1945-T1948 PolarHBondContact O-OG1 2.96Å; L1946-T1948 PolarHBondContact O-N 2.96Å; L1946-T1948 VanDerWaalsContact O-N 3.09Å |
| 1949 | E | 84.5 | Confident | 90.2 | Very high | 147 Ų | 147 | 44.2 Ų | 44.2 | 69% | 0.687 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122.4 | -31.8 | -176.2 | -58.2 | -63.3 | 161.8 | 0 | 0 | 113.3 | L1912 L1946 E1947 | L1912-E1949 HydrophobicContact CB-CB 4.35Å; L1912-E1949 HydrophobicContact CB-CG 4.34Å; L1912-E1949 HydrophobicContact CD1-CB 4.46Å; L1912-E1949 HydrophobicContact CD1-CG 4.47Å; L1946-E1949 PolarHBondContact O-N 3.29Å; L1946-E1949 VanDerWaalsContact O-N 3.09Å; E1947-E1949 VanDerWaalsContact C-N 3.28Å; E1947-E1949 PolarHBondContact O-N 2.83Å |
| 1950 | L | 89.2 | Confident | 90.2 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 12% | 0.12 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -137.3 | 138.3 | -175.4 | -166.2 | 71.9 | 0 | 0 | 0 | 111.4 | F1919 L1932 L1946 E1947 P1952 I1954 | F1919-L1950 HydrophobicContact CD1-CD1 4.26Å; F1919-L1950 HydrophobicContact CD1-CD2 4.33Å; F1919-L1950 HydrophobicContact CE1-CD2 4.3Å; L1932-L1950 HydrophobicContact CD1-CD2 4.24Å; L1946-L1950 CarbonylContact C-O 3.59Å; L1946-L1950 HydrophobicContact CD1-CB 3.99Å; L1946-L1950 HydrophobicContact CD1-CD2 4.12Å; L1946-L1950 PolarHBondContact O-N 3.44Å; E1947-L1950 WeakPolarHBondContact CA-O 3.15Å; L1950-P1952 WeakPolarHBondContact O-CD 3.3Å; L1950-I1954 HydrophobicContact CD1-CD1 3.62Å; L1950-I1954 HydrophobicContact CG-CD1 4.11Å |
| 1951 | S | 90 | Very high | 90.4 | Very high | 59 Ų | 59 | 44.7 Ų | 44.7 | 41% | 0.413 | 24% | 0.243 | S | C | . | . | trans | -72.7 | 128.3 | 174.5 | -178.6 | 0 | 0 | 0 | 0 | 111 | S1953 I1954 | S1951-S1953 PolarHBondContact O-N 2.78Å; S1951-S1953 VanDerWaalsContact O-N 3.14Å; S1951-S1953 PolarHBondContact OG-OG 2.64Å; S1951-I1954 WeakPolarHBondContact O-CB 3.33Å; S1951-I1954 PolarHBondContact O-N 2.94Å | ||
| 1952 | P | 91.6 | Very high | 90.6 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -35.7 | 175.5 | -30.5 | 37 | 0 | 0 | 0 | 113.9 | T1943 L1946 E1947 L1950 I1954 L1955 A1956 F2006 | T1943-P1952 HydrophobicContact CG2-CG 4.25Å; L1946-P1952 HydrophobicContact CD2-CG 4.43Å; E1947-P1952 HydrophobicContact CG-CG 3.6Å; L1950-P1952 WeakPolarHBondContact O-CD 3.3Å; P1952-I1954 PolarHBondContact O-N 2.73Å; P1952-L1955 WeakPolarHBondContact O-CB 3.49Å; P1952-L1955 PolarHBondContact O-N 3.13Å; P1952-A1956 PolarHBondContact O-N 3.31Å; P1952-F2006 CarbonylContact C-O 3.52Å; P1952-F2006 HydrophobicContact CB-CD1 4.22Å |
| 1953 | S | 91.3 | Very high | 90.6 | Very high | 50 Ų | 50 | 42.7 Ų | 42.7 | 35% | 0.35 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -51.7 | -30.3 | 177 | 66.2 | 0 | 0 | 0 | 0 | 113.9 | S1951 L1955 A1956 N1957 F2006 | S1951-S1953 PolarHBondContact O-N 2.78Å; S1951-S1953 VanDerWaalsContact O-N 3.14Å; S1951-S1953 PolarHBondContact OG-OG 2.64Å; S1953-L1955 VanDerWaalsContact C-N 3.28Å; S1953-L1955 PolarHBondContact O-N 2.77Å; S1953-A1956 PolarHBondContact O-N 3.36Å; S1953-N1957 PolarHBondContact O-N 3.3Å; S1953-N1957 PolarHBondContact O-ND2 3.33Å; S1953-F2006 PolarHBondContact N-O 3.09Å |
| 1954 | I | 92.5 | Very high | 90.4 | Very high | 46 Ų | 46 | 43.9 Ų | 43.9 | 24% | 0.236 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.3 | -35.4 | 178.2 | -64.2 | 168.6 | 0 | 0 | 0 | 110.9 | Y1929 L1950 S1951 P1952 Y1958 | Y1929-I1954 HydrophobicContact CE2-CG2 3.95Å; L1950-I1954 HydrophobicContact CD1-CD1 3.62Å; L1950-I1954 HydrophobicContact CG-CD1 4.11Å; S1951-I1954 WeakPolarHBondContact O-CB 3.33Å; S1951-I1954 PolarHBondContact O-N 2.94Å; P1952-I1954 PolarHBondContact O-N 2.73Å; I1954-Y1958 PolarHBondContact O-N 2.95Å; I1954-Y1958 VanDerWaalsContact O-N 3.14Å |
| 1955 | L | 94 | Very high | 90.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.7 | -38.9 | 175.1 | -57.7 | -177.5 | 0 | 0 | 0 | 111.8 | Y1929 L1932 I1933 L1946 P1952 S1953 N1957 Y1958 I1959 F2006 | Y1929-L1955 HydrophobicContact CD1-CD2 4.27Å; Y1929-L1955 HydrophobicContact CD2-CD2 4.32Å; Y1929-L1955 HydrophobicContact CG-CD2 3.97Å; L1932-L1955 HydrophobicContact CB-CD1 4.08Å; L1932-L1955 HydrophobicContact CB-CD2 4.21Å; L1932-L1955 HydrophobicContact CD1-CD2 4.39Å; I1933-L1955 HydrophobicContact CG1-CB 4.14Å; I1933-L1955 HydrophobicContact CG1-CD1 4.21Å; I1933-L1955 HydrophobicContact CG1-CD2 4.42Å; I1933-L1955 HydrophobicContact CG1-CG 4.49Å; L1946-L1955 HydrophobicContact CD2-CD1 3.65Å; P1952-L1955 WeakPolarHBondContact O-CB 3.49Å; P1952-L1955 PolarHBondContact O-N 3.13Å; S1953-L1955 VanDerWaalsContact C-N 3.28Å; S1953-L1955 PolarHBondContact O-N 2.77Å; L1955-N1957 PolarHBondContact O-N 2.91Å; L1955-Y1958 WeakPolarHBondContact O-CB 3.32Å; L1955-Y1958 PolarHBondContact O-N 3.42Å; L1955-I1959 VanDerWaalsContact O-CG1 3.3Å; L1955-I1959 WeakPolarHBondContact O-CG1 3.48Å; L1955-I1959 PolarHBondContact O-N 3.15Å; L1955-F2006 HydrophobicContact CB-CB 4.48Å; L1955-F2006 HydrophobicContact CB-CD2 4.29Å; L1955-F2006 HydrophobicContact CB-CG 4.22Å; L1955-F2006 HydrophobicContact CD1-CD1 4.34Å; L1955-F2006 HydrophobicContact CD1-CE1 4.1Å; L1955-F2006 HydrophobicContact CD1-CZ 4.24Å |
| 1956 | A | 93.6 | Very high | 90.1 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.033 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.4 | -44.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1952 S1953 Y1958 I1959 E1960 K2003 F2006 S2007 | P1952-A1956 PolarHBondContact O-N 3.31Å; S1953-A1956 PolarHBondContact O-N 3.36Å; A1956-Y1958 VanDerWaalsContact C-N 3.35Å; A1956-Y1958 PolarHBondContact O-N 2.92Å; A1956-I1959 PolarHBondContact O-N 2.7Å; A1956-E1960 PolarHBondContact O-N 3.11Å; A1956-K2003 HydrophobicContact CB-CG 4.45Å; A1956-F2006 HydrophobicContact CB-CB 3.9Å; A1956-S2007 WeakPolarHBondContact CB-OG 3.46Å |
| 1957 | N | 93.5 | Very high | 89.7 | Confident | 55 Ų | 55 | 54.7 Ų | 54.7 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.3 | -35.2 | 177 | -71.5 | -71 | 0 | 0 | 0 | 112.3 | P1804 S1953 L1955 E1960 E1961 | P1804-N1957 HydrophobicContact CG-CB 3.61Å; P1804-N1957 WeakPolarHBondContact CG-ND2 3.23Å; P1804-N1957 VanDerWaalsContact CG-OD1 3.27Å; P1804-N1957 WeakPolarHBondContact CG-OD1 3.28Å; S1953-N1957 PolarHBondContact O-N 3.3Å; S1953-N1957 PolarHBondContact O-ND2 3.33Å; L1955-N1957 PolarHBondContact O-N 2.91Å; N1957-E1960 PolarHBondContact O-N 3.1Å; N1957-E1961 PolarHBondContact O-N 3.1Å |
| 1958 | Y | 94.4 | Very high | 89.2 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 3% | 0.027 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 171.9 | 174.1 | -98.1 | 0 | 0 | 0 | 112.2 | N1926 Y1929 P1930 I1933 I1954 L1955 A1956 E1960 E1961 R1962 F1990 | N1926-Y1958 VanDerWaalsContact OD1-CE2 3.26Å; N1926-Y1958 WeakPolarHBondContact OD1-CE2 3.18Å; N1926-Y1958 PolarHBondContact OD1-OH 2.79Å; Y1929-Y1958 HydrophobicContact CD2-CD1 4.34Å; Y1929-Y1958 AromaticContact CD2-CD2 3.72Å; Y1929-Y1958 HydrophobicContact CD2-CD2 3.72Å; Y1929-Y1958 HydrophobicContact CD2-CE2 4.37Å; Y1929-Y1958 AromaticContact CD2-CG 3.7Å; Y1929-Y1958 HydrophobicContact CD2-CG 3.7Å; Y1929-Y1958 HydrophobicContact CG-CG 4.47Å; P1930-Y1958 HydrophobicContact CG-CE1 4.14Å; I1933-Y1958 HydrophobicContact CD1-CD1 3.91Å; I1933-Y1958 HydrophobicContact CD1-CE1 4.3Å; I1954-Y1958 PolarHBondContact O-N 2.95Å; I1954-Y1958 VanDerWaalsContact O-N 3.14Å; L1955-Y1958 WeakPolarHBondContact O-CB 3.32Å; L1955-Y1958 PolarHBondContact O-N 3.42Å; A1956-Y1958 VanDerWaalsContact C-N 3.35Å; A1956-Y1958 PolarHBondContact O-N 2.92Å; Y1958-E1960 VanDerWaalsContact C-N 3.31Å; Y1958-E1960 PolarHBondContact O-N 3.31Å; Y1958-E1961 WeakPolarHBondContact O-CB 3.31Å; Y1958-E1961 PolarHBondContact O-N 3.31Å; Y1958-R1962 HydrophobicContact CD1-CG 4.37Å; Y1958-R1962 HydrophobicContact CE1-CG 3.91Å; Y1958-R1962 HydrophobicContact CE2-CG 4.11Å; Y1958-R1962 WeakPolarHBondContact O-CG 3.3Å; Y1958-R1962 PolarHBondContact O-N 2.75Å; Y1958-F1990 HydrophobicContact CE1-CD1 4.5Å; Y1958-F1990 HydrophobicContact CE1-CD2 4.3Å; Y1958-F1990 HydrophobicContact CE1-CG 4.27Å |
| 1959 | I | 92.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.3 | -43 | 176 | -65.1 | 161.8 | 0 | 0 | 0 | 110.2 | I1933 L1955 A1956 R1962 I1963 F1990 W1999 A2002 K2003 F2006 | I1933-I1959 HydrophobicContact CD1-CD1 3.85Å; I1933-I1959 HydrophobicContact CD1-CG1 3.62Å; I1933-I1959 HydrophobicContact CG1-CD1 4.22Å; L1955-I1959 VanDerWaalsContact O-CG1 3.3Å; L1955-I1959 WeakPolarHBondContact O-CG1 3.48Å; L1955-I1959 PolarHBondContact O-N 3.15Å; A1956-I1959 PolarHBondContact O-N 2.7Å; I1959-R1962 PolarHBondContact O-N 3.21Å; I1959-I1963 HydrophobicContact CG2-CD1 3.87Å; I1959-I1963 HydrophobicContact CG2-CG1 4.43Å; I1959-I1963 VanDerWaalsContact O-CG1 3.31Å; I1959-I1963 WeakPolarHBondContact O-CG1 3.4Å; I1959-I1963 PolarHBondContact O-N 2.74Å; I1959-F1990 HydrophobicContact CG1-CE1 4.18Å; I1959-F1990 HydrophobicContact CG1-CZ 3.97Å; I1959-F1990 HydrophobicContact CG2-CE1 4.38Å; I1959-W1999 HydrophobicContact CG2-CB 4.27Å; I1959-W1999 WeakPolarHBondContact CG2-O 3.29Å; I1959-A2002 HydrophobicContact CD1-CB 3.88Å; I1959-K2003 HydrophobicContact CB-CB 4.44Å; I1959-K2003 HydrophobicContact CG2-CB 3.99Å; I1959-F2006 HydrophobicContact CD1-CD2 4Å |
| 1960 | E | 93.1 | Very high | 87.1 | Confident | 72 Ų | 72 | 47.6 Ų | 47.6 | 34% | 0.336 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.7 | -45.5 | 174.2 | 175.5 | 143.9 | -127.5 | 0 | 0 | 113 | A1956 N1957 Y1958 R1962 I1963 L1964 K2003 | A1956-E1960 PolarHBondContact O-N 3.11Å; N1957-E1960 PolarHBondContact O-N 3.1Å; Y1958-E1960 VanDerWaalsContact C-N 3.31Å; Y1958-E1960 PolarHBondContact O-N 3.31Å; E1960-R1962 VanDerWaalsContact C-N 3.3Å; E1960-R1962 PolarHBondContact O-N 2.79Å; E1960-I1963 PolarHBondContact O-N 3.29Å; E1960-L1964 HydrophobicContact CG-CD1 4.03Å; E1960-L1964 WeakPolarHBondContact O-CG 3.35Å; E1960-L1964 PolarHBondContact O-N 2.6Å; E1960-K2003 HydrophobicContact CB-CD 4.3Å; E1960-K2003 IonicContact OE1-NZ 2.95Å; E1960-K2003 PolarHBondContact OE1-NZ 3.43Å; E1960-K2003 WeakPolarHBondContact OE2-CE 3.48Å; E1960-K2003 IonicContact OE2-NZ 2.67Å; E1960-K2003 PolarHBondContact OE2-NZ 3.13Å |
| 1961 | E | 91.2 | Very high | 85.2 | Confident | 71 Ų | 71 | 54.5 Ų | 54.5 | 33% | 0.332 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.8 | -43.3 | 174.6 | -168.9 | -171.7 | 117.8 | 0 | 0 | 111.8 | N1957 Y1958 L1964 E1965 | N1957-E1961 PolarHBondContact O-N 3.1Å; Y1958-E1961 WeakPolarHBondContact O-CB 3.31Å; Y1958-E1961 PolarHBondContact O-N 3.31Å; E1961-L1964 PolarHBondContact O-N 2.9Å; E1961-E1965 PolarHBondContact O-N 3.28Å |
| 1962 | R | 91.3 | Very high | 83.3 | Confident | 29 Ų | 29 | 59.7 Ų | 59.7 | 11% | 0.109 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.5 | -33.9 | 177.9 | -60.6 | -64 | 119.8 | -175.3 | -3.4 | 112.8 | Y1958 I1959 E1960 E1965 R1966 F1990 W1999 | Y1958-R1962 HydrophobicContact CD1-CG 4.37Å; Y1958-R1962 HydrophobicContact CE1-CG 3.91Å; Y1958-R1962 HydrophobicContact CE2-CG 4.11Å; Y1958-R1962 WeakPolarHBondContact O-CG 3.3Å; Y1958-R1962 PolarHBondContact O-N 2.75Å; I1959-R1962 PolarHBondContact O-N 3.21Å; E1960-R1962 VanDerWaalsContact C-N 3.3Å; E1960-R1962 PolarHBondContact O-N 2.79Å; R1962-E1965 IonicContact CZ-OE1 2.74Å; R1962-E1965 IonicContact CZ-OE2 2.7Å; R1962-E1965 IonicContact NE-OE2 2.84Å; R1962-E1965 IonicContact NH1-OE1 3.39Å; R1962-E1965 PolarHBondContact NH1-OE1 2.87Å; R1962-E1965 IonicContact NH1-OE2 3.83Å; R1962-E1965 PolarHBondContact NH1-OE2 3.15Å; R1962-E1965 IonicContact NH2-OE1 2.89Å; R1962-E1965 PolarHBondContact NH2-OE1 2.73Å; R1962-E1965 IonicContact NH2-OE2 3.98Å; R1962-R1966 WeakPolarHBondContact O-CB 3.11Å; R1962-R1966 PolarHBondContact O-N 2.78Å; R1962-F1990 HydrophobicContact CB-CD1 3.73Å; R1962-F1990 HydrophobicContact CB-CE1 4.39Å; R1962-F1990 HydrophobicContact CG-CB 4.29Å; R1962-F1990 HydrophobicContact CG-CD1 3.87Å; R1962-F1990 HydrophobicContact CG-CG 4.37Å; R1962-W1999 HydrophobicContact CB-CH2 4.31Å; R1962-W1999 HydrophobicContact CB-CZ3 4.18Å |
| 1963 | I | 90.4 | Very high | 80.7 | Confident | 24 Ų | 24 | 65.1 Ų | 65.1 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62 | -46.5 | 170.7 | -71.2 | 163.4 | 0 | 0 | 0 | 110.3 | I1959 E1960 R1966 K1967 W1999 | I1959-I1963 HydrophobicContact CG2-CD1 3.87Å; I1959-I1963 HydrophobicContact CG2-CG1 4.43Å; I1959-I1963 VanDerWaalsContact O-CG1 3.31Å; I1959-I1963 WeakPolarHBondContact O-CG1 3.4Å; I1959-I1963 PolarHBondContact O-N 2.74Å; E1960-I1963 PolarHBondContact O-N 3.29Å; I1963-R1966 PolarHBondContact O-N 3.11Å; I1963-K1967 HydrophobicContact CG2-CD 4.44Å; I1963-K1967 WeakPolarHBondContact O-CG 3.39Å; I1963-K1967 PolarHBondContact O-N 3.2Å; I1963-W1999 HydrophobicContact CD1-CB 4.4Å; I1963-W1999 HydrophobicContact CG1-CB 4.46Å; I1963-W1999 HydrophobicContact CG1-CE3 3.71Å; I1963-W1999 HydrophobicContact CG1-CZ3 4.39Å |
| 1964 | L | 86.5 | Confident | 78.3 | Confident | 39 Ų | 39 | 70.3 Ų | 70.3 | 20% | 0.204 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 179.5 | -68.7 | 170.7 | 0 | 0 | 0 | 111.6 | L1801 E1960 E1961 R1966 K1967 V1968 | L1801-L1964 HydrophobicContact CD2-CD1 3.74Å; E1960-L1964 HydrophobicContact CG-CD1 4.03Å; E1960-L1964 WeakPolarHBondContact O-CG 3.35Å; E1960-L1964 PolarHBondContact O-N 2.6Å; E1961-L1964 PolarHBondContact O-N 2.9Å; L1964-R1966 VanDerWaalsContact C-N 3.31Å; L1964-R1966 PolarHBondContact O-N 2.86Å; L1964-K1967 WeakPolarHBondContact O-CB 3.4Å; L1964-K1967 PolarHBondContact O-N 3.49Å; L1964-V1968 WeakPolarHBondContact O-CG2 3.37Å; L1964-V1968 PolarHBondContact O-N 2.8Å |
| 1965 | E | 84.6 | Confident | 75.4 | Confident | 74 Ų | 74 | 76.5 Ų | 76.5 | 35% | 0.346 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.1 | -43.6 | 171.5 | -82.8 | -170.3 | 176 | 0 | 0 | 112.2 | E1961 R1962 K1967 V1968 N1969 | E1961-E1965 PolarHBondContact O-N 3.28Å; R1962-E1965 IonicContact CZ-OE1 2.74Å; R1962-E1965 IonicContact CZ-OE2 2.7Å; R1962-E1965 IonicContact NE-OE2 2.84Å; R1962-E1965 IonicContact NH1-OE1 3.39Å; R1962-E1965 PolarHBondContact NH1-OE1 2.87Å; R1962-E1965 IonicContact NH1-OE2 3.83Å; R1962-E1965 PolarHBondContact NH1-OE2 3.15Å; R1962-E1965 IonicContact NH2-OE1 2.89Å; R1962-E1965 PolarHBondContact NH2-OE1 2.73Å; R1962-E1965 IonicContact NH2-OE2 3.98Å; E1965-K1967 VanDerWaalsContact C-N 3.34Å; E1965-K1967 PolarHBondContact O-N 3.29Å; E1965-V1968 PolarHBondContact O-N 2.73Å; E1965-N1969 WeakPolarHBondContact O-CB 3.28Å; E1965-N1969 VanDerWaalsContact O-CG 3.26Å; E1965-N1969 PolarHBondContact O-N 3.32Å; E1965-N1969 PolarHBondContact O-ND2 3.44Å |
| 1966 | R | 82.9 | Confident | 72.3 | Confident | 105 Ų | 105 | 86 Ų | 86 | 40% | 0.396 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 179.2 | -174.3 | 174.7 | 170.9 | 87.3 | -7.7 | 111.7 | R1962 I1963 L1964 S1970 E1991 | R1962-R1966 WeakPolarHBondContact O-CB 3.11Å; R1962-R1966 PolarHBondContact O-N 2.78Å; I1963-R1966 PolarHBondContact O-N 3.11Å; L1964-R1966 VanDerWaalsContact C-N 3.31Å; L1964-R1966 PolarHBondContact O-N 2.86Å; R1966-S1970 PolarHBondContact O-N 3.25Å; R1966-S1970 VanDerWaalsContact O-N 3.11Å; R1966-E1991 WeakPolarHBondContact CD-OE1 3.31Å; R1966-E1991 IonicContact CZ-OE1 3.01Å; R1966-E1991 IonicContact NE-OE1 2.75Å; R1966-E1991 IonicContact NH1-OE1 2.84Å; R1966-E1991 PolarHBondContact NH1-OE1 2.8Å; R1966-E1991 IonicContact NH1-OE2 2.64Å; R1966-E1991 PolarHBondContact NH1-OE2 3.41Å |
| 1967 | K | 82.3 | Confident | 69.1 | Low | 118 Ų | 118 | 95.3 Ų | 95.3 | 51% | 0.513 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.9 | -54.6 | 171.4 | -69.4 | 174.2 | -179 | -179.1 | 0 | 111 | I1963 L1964 E1965 N1969 S1970 F1971 | I1963-K1967 HydrophobicContact CG2-CD 4.44Å; I1963-K1967 WeakPolarHBondContact O-CG 3.39Å; I1963-K1967 PolarHBondContact O-N 3.2Å; L1964-K1967 WeakPolarHBondContact O-CB 3.4Å; L1964-K1967 PolarHBondContact O-N 3.49Å; E1965-K1967 VanDerWaalsContact C-N 3.34Å; E1965-K1967 PolarHBondContact O-N 3.29Å; K1967-N1969 VanDerWaalsContact C-N 3.31Å; K1967-N1969 PolarHBondContact O-N 3.31Å; K1967-S1970 WeakPolarHBondContact O-CA 3.24Å; K1967-S1970 VanDerWaalsContact O-CB 3.24Å; K1967-S1970 WeakPolarHBondContact O-CB 3.09Å; K1967-S1970 PolarHBondContact O-N 2.89Å; K1967-F1971 HydrophobicContact CB-CE2 4.44Å; K1967-F1971 WeakPolarHBondContact O-CD2 3.49Å; K1967-F1971 PolarHBondContact O-N 2.81Å; K1967-F1971 VanDerWaalsContact O-N 3.16Å |
| 1968 | V | 78.5 | Confident | 65.9 | Low | 51 Ų | 51 | 98.3 Ų | 98.3 | 31% | 0.309 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -57.7 | -40.2 | 178.9 | 172.1 | 0 | 0 | 0 | 0 | 112.2 | L1964 E1965 S1970 F1971 R1972 | L1964-V1968 WeakPolarHBondContact O-CG2 3.37Å; L1964-V1968 PolarHBondContact O-N 2.8Å; E1965-V1968 PolarHBondContact O-N 2.73Å; V1968-S1970 VanDerWaalsContact C-N 3.3Å; V1968-S1970 PolarHBondContact O-N 2.97Å; V1968-F1971 PolarHBondContact O-N 2.92Å; V1968-R1972 HydrophobicContact CG1-CG 4.25Å; V1968-R1972 WeakPolarHBondContact O-CB 3.37Å; V1968-R1972 WeakPolarHBondContact O-CG 3.45Å; V1968-R1972 PolarHBondContact O-N 3.46Å |
| 1969 | N | 68.1 | Low | 62.6 | Low | 89 Ų | 89 | 105.1 Ų | 105.1 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.3 | -23.8 | 175.9 | -76.5 | -40.5 | 0 | 0 | 0 | 113.2 | E1965 K1967 | E1965-N1969 WeakPolarHBondContact O-CB 3.28Å; E1965-N1969 VanDerWaalsContact O-CG 3.26Å; E1965-N1969 PolarHBondContact O-N 3.32Å; E1965-N1969 PolarHBondContact O-ND2 3.44Å; K1967-N1969 VanDerWaalsContact C-N 3.31Å; K1967-N1969 PolarHBondContact O-N 3.31Å |
| 1970 | S | 57.8 | Low | 59.5 | Low | 70 Ų | 70 | 112.6 Ų | 112.6 | 49% | 0.49 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.8 | -44.9 | 170 | -154.7 | 0 | 0 | 0 | 0 | 110.9 | R1966 K1967 V1968 | R1966-S1970 PolarHBondContact O-N 3.25Å; R1966-S1970 VanDerWaalsContact O-N 3.11Å; K1967-S1970 WeakPolarHBondContact O-CA 3.24Å; K1967-S1970 VanDerWaalsContact O-CB 3.24Å; K1967-S1970 WeakPolarHBondContact O-CB 3.09Å; K1967-S1970 PolarHBondContact O-N 2.89Å; V1968-S1970 VanDerWaalsContact C-N 3.3Å; V1968-S1970 PolarHBondContact O-N 2.97Å |
| 1971 | F | 48.4 | Very low | 56.6 | Low | 169 Ų | 169 | 115.7 Ų | 115.7 | 74% | 0.741 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.3 | -41.7 | 175.5 | -62.9 | -65.5 | 0 | 0 | 0 | 112.7 | K1967 V1968 K1973 | K1967-F1971 HydrophobicContact CB-CE2 4.44Å; K1967-F1971 WeakPolarHBondContact O-CD2 3.49Å; K1967-F1971 PolarHBondContact O-N 2.81Å; K1967-F1971 VanDerWaalsContact O-N 3.16Å; V1968-F1971 PolarHBondContact O-N 2.92Å; F1971-K1973 PolarHBondContact O-N 2.67Å; F1971-K1973 VanDerWaalsContact O-N 3.09Å |
| 1972 | R | 50.2 | Low | 54 | Low | 167 Ų | 167 | 118.9 Ų | 118.9 | 63% | 0.63 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -72.9 | 6.6 | -179.3 | -72.3 | -175.3 | -179.2 | 177.9 | 2.3 | 115.5 | V1968 I1974 E1975 | V1968-R1972 HydrophobicContact CG1-CG 4.25Å; V1968-R1972 WeakPolarHBondContact O-CB 3.37Å; V1968-R1972 WeakPolarHBondContact O-CG 3.45Å; V1968-R1972 PolarHBondContact O-N 3.46Å; R1972-I1974 PolarHBondContact O-N 3.27Å; R1972-E1975 PolarHBondContact O-N 3.33Å |
| 1973 | K | 37.7 | Very low | 51.4 | Low | 127 Ų | 127 | 126.1 Ų | 126.1 | 55% | 0.552 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -61.6 | -11 | -178.5 | -91.3 | 173.2 | -179.6 | 171.2 | 0 | 115.5 | F1971 | F1971-K1973 PolarHBondContact O-N 2.67Å; F1971-K1973 VanDerWaalsContact O-N 3.09Å |
| 1974 | I | 40.2 | Very low | 49.5 | Very low | 159 Ų | 159 | 127.7 Ų | 127.7 | 82% | 0.815 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -91.4 | -25.6 | -178.8 | -60.3 | 177.8 | 0 | 0 | 0 | 112.6 | R1972 | R1972-I1974 PolarHBondContact O-N 3.27Š|
| 1975 | E | 32.5 | Very low | 48.3 | Very low | 176 Ų | 176 | 129.3 Ų | 129.3 | 82% | 0.822 | 63% | 0.625 | S | S | * | * | trans | -129.8 | 68.3 | -173.8 | -64.5 | -159.3 | 155.8 | 0 | 0 | 114.1 | R1972 K1977 | R1972-E1975 PolarHBondContact O-N 3.33Å; E1975-K1977 PolarHBondContact O-N 2.81Å | ||
| 1976 | K | 29.2 | Very low | 47.4 | Very low | 199 Ų | 199 | 128.4 Ų | 128.4 | 87% | 0.865 | 62% | 0.621 | S | S | * | * | trans | -82.5 | 90.1 | 167.3 | -82.1 | -166.3 | 173.1 | -173.7 | 0 | 111.9 | ||||
| 1977 | K | 25.7 | Very low | 47.1 | Very low | 200 Ų | 200 | 125.1 Ų | 125.1 | 87% | 0.87 | 61% | 0.609 | S | S | * | * | trans | -101.1 | 146.7 | 151.4 | -123.8 | 172.2 | -174.9 | 172.3 | 0 | 109.7 | E1975 | E1975-K1977 PolarHBondContact O-N 2.81Š| ||
| 1978 | C | 25.4 | Very low | 47 | Very low | 119 Ų | 119 | 120.2 Ų | 120.2 | 80% | 0.804 | 59% | 0.587 | S | S | * | * | trans | -65.7 | 138.6 | -168.7 | 38.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1979 | N | 26.6 | Very low | 47 | Very low | 149 Ų | 149 | 121.3 Ų | 121.3 | 80% | 0.797 | 59% | 0.591 | S | S | * | * | trans | -129.8 | 134.4 | 172.9 | -124.9 | -5.8 | 0 | 0 | 0 | 108.9 | N1981 | N1979-N1981 VanDerWaalsContact C-N 3.35Å; N1979-N1981 PolarHBondContact O-N 2.96Å | ||
| 1980 | N | 27.5 | Very low | 47.8 | Very low | 157 Ų | 157 | 117.4 Ų | 117.4 | 84% | 0.84 | 57% | 0.57 | S | S | * | * | trans | -86.8 | 63.4 | -163.2 | -64 | -22.9 | 0 | 0 | 0 | 113.3 | ||||
| 1981 | N | 30.9 | Very low | 48.9 | Very low | 137 Ų | 137 | 118.3 Ų | 118.3 | 73% | 0.733 | 57% | 0.567 | S | S | * | * | trans | -69.4 | 138.5 | 158.6 | -76.9 | 5.9 | 0 | 0 | 0 | 108.8 | N1979 F1983 | N1979-N1981 VanDerWaalsContact C-N 3.35Å; N1979-N1981 PolarHBondContact O-N 2.96Å; N1981-F1983 PolarHBondContact O-N 2.92Å | ||
| 1982 | E | 36.7 | Very low | 50.3 | Low | 139 Ų | 139 | 114.7 Ų | 114.7 | 65% | 0.65 | 55% | 0.552 | S | S | * | * | trans | -59.9 | 110.1 | 171.2 | -66.1 | -175.4 | 127.3 | 0 | 0 | 108.6 | Y1921 L1984 | Y1921-E1982 PolarHBondContact OH-OE2 2.7Å; E1982-L1984 PolarHBondContact O-N 2.8Å | ||
| 1983 | F | 38 | Very low | 52 | Low | 181 Ų | 181 | 107 Ų | 107 | 79% | 0.794 | 52% | 0.523 | S | S | * | . | trans | -79 | 87.9 | -162.7 | -145.7 | -76.3 | 0 | 0 | 0 | 111 | N1981 | N1981-F1983 PolarHBondContact O-N 2.92Š| ||
| 1984 | L | 50.8 | Low | 54.3 | Low | 56 Ų | 56 | 101.1 Ų | 101.1 | 29% | 0.293 | 50% | 0.497 | S | S | . | . | trans | -59.3 | 145.3 | 165.6 | -68.1 | 179.1 | 0 | 0 | 0 | 110 | P1923 I1927 E1982 E1986 F1988 | P1923-L1984 HydrophobicContact CB-CD1 4.02Å; P1923-L1984 WeakPolarHBondContact O-CD1 3.42Å; I1927-L1984 HydrophobicContact CD1-CD1 4.29Å; I1927-L1984 HydrophobicContact CD1-CD2 4.47Å; I1927-L1984 HydrophobicContact CG1-CD1 4.18Å; E1982-L1984 PolarHBondContact O-N 2.8Å; L1984-E1986 PolarHBondContact O-N 3.29Å; L1984-F1988 HydrophobicContact CB-CB 4.47Å; L1984-F1988 HydrophobicContact CB-CD2 4.01Å | ||
| 1985 | D | 60.8 | Low | 56.5 | Low | 74 Ų | 74 | 97.3 Ų | 97.3 | 40% | 0.396 | 48% | 0.479 | S | S | . | . | trans | -53.3 | 134.1 | 174.2 | -173.7 | -32.6 | 0 | 0 | 0 | 110.3 | R1987 F1988 | D1985-R1987 VanDerWaalsContact CG-NE 3.28Å; D1985-R1987 PolarHBondContact O-N 2.84Å; D1985-R1987 WeakPolarHBondContact OD1-CG 3.33Å; D1985-R1987 PolarHBondContact OD1-N 2.65Å; D1985-R1987 IonicContact OD1-NE 3.24Å; D1985-R1987 PolarHBondContact OD1-NE 2.73Å; D1985-R1987 IonicContact OD2-CZ 2.7Å; D1985-R1987 IonicContact OD2-NE 3.86Å; D1985-R1987 PolarHBondContact OD2-NE 3.48Å; D1985-R1987 IonicContact OD2-NH2 3.3Å; D1985-R1987 PolarHBondContact OD2-NH2 2.73Å; D1985-F1988 HydrophobicContact CB-CD2 3.9Å; D1985-F1988 HydrophobicContact CB-CE2 3.92Å; D1985-F1988 WeakPolarHBondContact O-CB 3.43Å; D1985-F1988 WeakPolarHBondContact O-CD2 3.45Å; D1985-F1988 PolarHBondContact O-N 2.84Å | ||
| 1986 | E | 66.2 | Low | 58.9 | Low | 55 Ų | 55 | 92.1 Ų | 92.1 | 26% | 0.257 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -57.6 | -19.7 | -174.1 | -65.8 | -158.6 | 139 | 0 | 0 | 113.9 | Y1336 L1984 F1988 N1989 Q1992 | Y1336-E1986 PolarHBondContact OH-OE2 3.13Å; L1984-E1986 PolarHBondContact O-N 3.29Å; E1986-F1988 PolarHBondContact O-N 2.8Å; E1986-N1989 VanDerWaalsContact O-CB 3.26Å; E1986-N1989 WeakPolarHBondContact O-CB 3.32Å; E1986-N1989 PolarHBondContact O-N 3.03Å; E1986-Q1992 PolarHBondContact O-OE1 3.46Å |
| 1987 | R | 76.2 | Confident | 61.5 | Low | 36 Ų | 36 | 86.1 Ų | 86.1 | 14% | 0.136 | 44% | 0.439 | C | S | . | . | G | 310 helix | trans | -56.4 | -15.1 | 170.2 | -64.3 | -178.1 | -61 | 126 | 4.6 | 114.2 | E1880 D1985 | E1880-R1987 VanDerWaalsContact CD-NH1 3.33Å; E1880-R1987 IonicContact OE1-CZ 3.5Å; E1880-R1987 VanDerWaalsContact OE1-CZ 3.3Å; E1880-R1987 IonicContact OE1-NH1 2.88Å; E1880-R1987 PolarHBondContact OE1-NH1 2.9Å; E1880-R1987 IonicContact OE1-NH2 2.68Å; E1880-R1987 PolarHBondContact OE1-NH2 2.77Å; E1880-R1987 IonicContact OE2-CZ 3.18Å; E1880-R1987 IonicContact OE2-NH1 3.47Å; E1880-R1987 PolarHBondContact OE2-NH1 3.18Å; D1985-R1987 VanDerWaalsContact CG-NE 3.28Å; D1985-R1987 PolarHBondContact O-N 2.84Å; D1985-R1987 WeakPolarHBondContact OD1-CG 3.33Å; D1985-R1987 PolarHBondContact OD1-N 2.65Å; D1985-R1987 IonicContact OD1-NE 3.24Å; D1985-R1987 PolarHBondContact OD1-NE 2.73Å; D1985-R1987 IonicContact OD2-CZ 2.7Å; D1985-R1987 IonicContact OD2-NE 3.86Å; D1985-R1987 PolarHBondContact OD2-NE 3.48Å; D1985-R1987 IonicContact OD2-NH2 3.3Å; D1985-R1987 PolarHBondContact OD2-NH2 2.73Å |
| 1988 | F | 79 | Confident | 64.6 | Low | 15 Ų | 15 | 78.8 Ų | 78.8 | 7% | 0.066 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -89.7 | -16.7 | 173.3 | -63.5 | -70.6 | 0 | 0 | 0 | 113.6 | H1879 L1883 I1927 L1984 D1985 E1986 F1990 | H1879-F1988 HydrophobicContact CB-CE1 4.04Å; H1879-F1988 HydrophobicContact CB-CZ 3.92Å; L1883-F1988 HydrophobicContact CD1-CD1 4.19Å; L1883-F1988 HydrophobicContact CD1-CE1 3.59Å; L1883-F1988 HydrophobicContact CD1-CZ 3.9Å; L1883-F1988 HydrophobicContact CD2-CD1 3.56Å; L1883-F1988 HydrophobicContact CD2-CE1 3.68Å; L1883-F1988 HydrophobicContact CG-CD1 4Å; L1883-F1988 HydrophobicContact CG-CE1 3.55Å; L1883-F1988 HydrophobicContact CG-CZ 4.35Å; I1927-F1988 HydrophobicContact CB-CD1 4.14Å; I1927-F1988 HydrophobicContact CB-CE1 4.38Å; I1927-F1988 HydrophobicContact CD1-CD1 4.04Å; I1927-F1988 HydrophobicContact CD1-CE1 3.87Å; I1927-F1988 HydrophobicContact CD1-CZ 4.26Å; I1927-F1988 HydrophobicContact CG1-CD1 3.59Å; I1927-F1988 HydrophobicContact CG1-CE1 3.9Å; I1927-F1988 HydrophobicContact CG1-CG 4.14Å; I1927-F1988 HydrophobicContact CG2-CD1 3.9Å; I1927-F1988 HydrophobicContact CG2-CE1 3.75Å; L1984-F1988 HydrophobicContact CB-CB 4.47Å; L1984-F1988 HydrophobicContact CB-CD2 4.01Å; D1985-F1988 HydrophobicContact CB-CD2 3.9Å; D1985-F1988 HydrophobicContact CB-CE2 3.92Å; D1985-F1988 WeakPolarHBondContact O-CB 3.43Å; D1985-F1988 WeakPolarHBondContact O-CD2 3.45Å; D1985-F1988 PolarHBondContact O-N 2.84Å; E1986-F1988 PolarHBondContact O-N 2.8Å; F1988-F1990 PolarHBondContact O-N 3.42Å |
| 1989 | N | 79 | Confident | 67.8 | Low | 74 Ų | 74 | 73.4 Ų | 73.4 | 40% | 0.396 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -63.1 | 130.3 | -178.4 | -68.7 | -24.3 | 0 | 0 | 0 | 111.1 | E1986 E1991 Q1992 R1993 | E1986-N1989 VanDerWaalsContact O-CB 3.26Å; E1986-N1989 WeakPolarHBondContact O-CB 3.32Å; E1986-N1989 PolarHBondContact O-N 3.03Å; N1989-E1991 PolarHBondContact O-N 3.46Å; N1989-Q1992 PolarHBondContact O-N 3.42Å; N1989-R1993 WeakPolarHBondContact O-CG 3.32Å |
| 1990 | F | 84.5 | Confident | 70.8 | Confident | 7 Ų | 7 | 71.6 Ų | 71.6 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -52.1 | -35.4 | -174.4 | -174.2 | -135.5 | 0 | 0 | 0 | 113.4 | P1930 I1933 Y1958 I1959 R1962 F1988 Q1992 R1993 F1994 W1999 | P1930-F1990 HydrophobicContact CB-CD2 3.83Å; P1930-F1990 HydrophobicContact CB-CE2 4.32Å; P1930-F1990 HydrophobicContact CG-CB 4.48Å; P1930-F1990 HydrophobicContact CG-CD2 3.77Å; I1933-F1990 HydrophobicContact CD1-CE2 3.87Å; I1933-F1990 HydrophobicContact CD1-CZ 3.95Å; I1933-F1990 HydrophobicContact CG2-CE2 4.4Å; Y1958-F1990 HydrophobicContact CE1-CD1 4.5Å; Y1958-F1990 HydrophobicContact CE1-CD2 4.3Å; Y1958-F1990 HydrophobicContact CE1-CG 4.27Å; I1959-F1990 HydrophobicContact CG1-CE1 4.18Å; I1959-F1990 HydrophobicContact CG1-CZ 3.97Å; I1959-F1990 HydrophobicContact CG2-CE1 4.38Å; R1962-F1990 HydrophobicContact CB-CD1 3.73Å; R1962-F1990 HydrophobicContact CB-CE1 4.39Å; R1962-F1990 HydrophobicContact CG-CB 4.29Å; R1962-F1990 HydrophobicContact CG-CD1 3.87Å; R1962-F1990 HydrophobicContact CG-CG 4.37Å; F1988-F1990 PolarHBondContact O-N 3.42Å; F1990-Q1992 PolarHBondContact O-N 3.05Å; F1990-R1993 PolarHBondContact O-N 3.33Å; F1990-F1994 HydrophobicContact CD2-CB 4.03Å; F1990-F1994 HydrophobicContact CE2-CB 3.47Å; F1990-F1994 VanDerWaalsContact CE2-CB 3.47Å; F1990-F1994 HydrophobicContact CE2-CD1 4.16Å; F1990-F1994 HydrophobicContact CE2-CG 4.07Å; F1990-F1994 HydrophobicContact CZ-CB 4.05Å; F1990-F1994 AromaticContact CZ-CD1 3.92Å; F1990-F1994 HydrophobicContact CZ-CD1 3.92Å; F1990-F1994 HydrophobicContact CZ-CG 4.3Å; F1990-F1994 PolarHBondContact O-N 2.83Å; F1990-W1999 HydrophobicContact CB-CZ2 4.23Å; F1990-W1999 HydrophobicContact CD1-CD2 4.11Å; F1990-W1999 AromaticContact CD1-CE2 3.48Å; F1990-W1999 VanDerWaalsContact CD1-CE2 3.48Å; F1990-W1999 HydrophobicContact CD1-CE3 4.42Å; F1990-W1999 AromaticContact CD1-CH2 3.58Å; F1990-W1999 HydrophobicContact CD1-CH2 3.58Å; F1990-W1999 AromaticContact CD1-CZ2 3.19Å; F1990-W1999 HydrophobicContact CD1-CZ2 3.19Å; F1990-W1999 HydrophobicContact CD1-CZ3 4.19Å; F1990-W1999 AromaticContact CE1-CD1 4Å; F1990-W1999 AromaticContact CE1-CD2 3.72Å; F1990-W1999 HydrophobicContact CE1-CD2 3.72Å; F1990-W1999 AromaticContact CE1-CE2 3.37Å; F1990-W1999 HydrophobicContact CE1-CE3 4.28Å; F1990-W1999 HydrophobicContact CE1-CG 4.1Å; F1990-W1999 HydrophobicContact CE1-CH2 4.2Å; F1990-W1999 AromaticContact CE1-CZ2 3.65Å; F1990-W1999 HydrophobicContact CE1-CZ2 3.65Å; F1990-W1999 HydrophobicContact CE1-CZ3 4.5Å; F1990-W1999 AromaticContact CE1-NE1 3.59Å; F1990-W1999 HydrophobicContact CG-CH2 4.4Å; F1990-W1999 AromaticContact CG-CZ2 3.84Å; F1990-W1999 HydrophobicContact CG-CZ2 3.84Å; F1990-W1999 AromaticContact CZ-NE1 3.91Å |
| 1991 | E | 80.9 | Confident | 73.8 | Confident | 89 Ų | 89 | 66.9 Ų | 66.9 | 42% | 0.416 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.7 | -28.4 | 175.4 | -58.3 | -168.7 | 171 | 0 | 0 | 114.7 | R1966 N1989 I1996 W1999 | R1966-E1991 WeakPolarHBondContact CD-OE1 3.31Å; R1966-E1991 IonicContact CZ-OE1 3.01Å; R1966-E1991 IonicContact NE-OE1 2.75Å; R1966-E1991 IonicContact NH1-OE1 2.84Å; R1966-E1991 PolarHBondContact NH1-OE1 2.8Å; R1966-E1991 IonicContact NH1-OE2 2.64Å; R1966-E1991 PolarHBondContact NH1-OE2 3.41Å; N1989-E1991 PolarHBondContact O-N 3.46Å; E1991-I1996 HydrophobicContact CB-CD1 4.31Å; E1991-W1999 HydrophobicContact CB-CZ2 4.41Å; E1991-W1999 HydrophobicContact CG-CH2 3.62Å; E1991-W1999 HydrophobicContact CG-CZ2 3.86Å |
| 1992 | Q | 77.8 | Confident | 76.7 | Confident | 92 Ų | 92 | 60.4 Ų | 60.4 | 43% | 0.43 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -94.7 | -5.6 | 176.2 | -57.5 | -172.6 | 14.3 | 0 | 0 | 112.5 | E1986 N1989 F1990 | E1986-Q1992 PolarHBondContact O-OE1 3.46Å; N1989-Q1992 PolarHBondContact O-N 3.42Å; F1990-Q1992 PolarHBondContact O-N 3.05Å |
| 1993 | R | 86.4 | Confident | 79.5 | Confident | 5 Ų | 5 | 56.1 Ų | 56.1 | 2% | 0.019 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -107.7 | -30 | -170.9 | -52.9 | -122 | 62.5 | -130.5 | -8.5 | 113 | L1883 P1930 T1931 N1989 F1990 | L1883-R1993 PolarHBondContact O-NH2 3.29Å; P1930-R1993 HydrophobicContact CB-CB 3.78Å; P1930-R1993 HydrophobicContact CB-CG 4.17Å; T1931-R1993 PolarHBondContact OG1-NH1 2.89Å; N1989-R1993 WeakPolarHBondContact O-CG 3.32Å; F1990-R1993 PolarHBondContact O-N 3.33Å |
| 1994 | F | 87.1 | Confident | 82 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -148.5 | 132.3 | -176.1 | -168.3 | -103.8 | 0 | 0 | 0 | 110.4 | V1890 L1891 I1933 Y1937 F1990 I1996 E1998 W1999 A2002 | V1890-F1994 HydrophobicContact CG2-CD2 3.81Å; V1890-F1994 HydrophobicContact CG2-CE2 4.28Å; L1891-F1994 HydrophobicContact CD2-CE2 4.33Å; I1933-F1994 HydrophobicContact CG2-CD1 4.11Å; I1933-F1994 HydrophobicContact CG2-CD2 3.89Å; I1933-F1994 HydrophobicContact CG2-CE1 4.09Å; I1933-F1994 HydrophobicContact CG2-CE2 3.87Å; I1933-F1994 HydrophobicContact CG2-CG 4.02Å; I1933-F1994 HydrophobicContact CG2-CZ 3.98Å; Y1937-F1994 HydrophobicContact CD1-CE2 4.04Å; Y1937-F1994 AromaticContact CD1-CZ 3.62Å; Y1937-F1994 HydrophobicContact CD1-CZ 3.62Å; Y1937-F1994 AromaticContact CE1-CZ 3.94Å; Y1937-F1994 HydrophobicContact CE1-CZ 3.94Å; Y1937-F1994 HydrophobicContact CG-CE2 4.43Å; Y1937-F1994 AromaticContact CG-CZ 3.96Å; Y1937-F1994 HydrophobicContact CG-CZ 3.96Å; F1990-F1994 HydrophobicContact CD2-CB 4.03Å; F1990-F1994 HydrophobicContact CE2-CB 3.47Å; F1990-F1994 VanDerWaalsContact CE2-CB 3.47Å; F1990-F1994 HydrophobicContact CE2-CD1 4.16Å; F1990-F1994 HydrophobicContact CE2-CG 4.07Å; F1990-F1994 HydrophobicContact CZ-CB 4.05Å; F1990-F1994 AromaticContact CZ-CD1 3.92Å; F1990-F1994 HydrophobicContact CZ-CD1 3.92Å; F1990-F1994 HydrophobicContact CZ-CG 4.3Å; F1990-F1994 PolarHBondContact O-N 2.83Å; F1994-I1996 PolarHBondContact O-N 3.43Å; F1994-E1998 HydrophobicContact CD1-CB 4.42Å; F1994-E1998 HydrophobicContact CE1-CB 3.54Å; F1994-E1998 HydrophobicContact CZ-CB 3.81Å; F1994-W1999 AromaticContact CD1-CD1 3.7Å; F1994-W1999 AromaticContact CD1-NE1 3.98Å; F1994-W1999 PolarHBondContact O-NE1 3.44Å; F1994-A2002 HydrophobicContact CE1-CB 3.75Å; F1994-A2002 HydrophobicContact CZ-CB 4.04Å |
| 1995 | N | 84.7 | Confident | 84 | Confident | 80 Ų | 80 | 49.4 Ų | 49.4 | 43% | 0.428 | 26% | 0.26 | S | S | . | . | trans | -61 | 130.7 | -169.9 | 179.3 | 19.2 | 0 | 0 | 0 | 112.2 | L1891 S1997 E1998 | L1891-N1995 HydrophobicContact CD1-CB 4.26Å; N1995-S1997 VanDerWaalsContact C-N 3.29Å; N1995-S1997 PolarHBondContact ND2-OG 3.48Å; N1995-S1997 PolarHBondContact O-N 3.25Å; N1995-S1997 PolarHBondContact OD1-N 2.88Å; N1995-E1998 HydrophobicContact CB-CG 4.17Å; N1995-E1998 WeakPolarHBondContact O-CB 3.39Å; N1995-E1998 PolarHBondContact O-N 2.71Å | ||
| 1996 | I | 84.7 | Confident | 85.6 | Confident | 66 Ų | 66 | 45.9 Ų | 45.9 | 34% | 0.338 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -65.3 | -28.4 | -172.2 | -62.7 | 156.4 | 0 | 0 | 0 | 112.4 | E1991 F1994 E1998 W1999 | E1991-I1996 HydrophobicContact CB-CD1 4.31Å; F1994-I1996 PolarHBondContact O-N 3.43Å; I1996-E1998 PolarHBondContact O-N 3.36Å; I1996-W1999 HydrophobicContact CG1-CZ2 4.07Å; I1996-W1999 PolarHBondContact O-N 3.5Å |
| 1997 | S | 83 | Confident | 86.7 | Confident | 74 Ų | 74 | 46.8 Ų | 46.8 | 52% | 0.517 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -64.7 | -24.2 | 173.3 | 64.3 | 0 | 0 | 0 | 0 | 113.4 | N1995 | N1995-S1997 VanDerWaalsContact C-N 3.29Å; N1995-S1997 PolarHBondContact ND2-OG 3.48Å; N1995-S1997 PolarHBondContact O-N 3.25Å; N1995-S1997 PolarHBondContact OD1-N 2.88Å |
| 1998 | E | 89.8 | Confident | 86.9 | Confident | 45 Ų | 45 | 57.1 Ų | 57.1 | 21% | 0.21 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -91.9 | -1.7 | -176.5 | -55.1 | -47.9 | 120.8 | 0 | 0 | 112.9 | L1891 Y1937 F1994 N1995 I1996 S2001 A2002 | L1891-E1998 HydrophobicContact CD1-CG 4.22Å; L1891-E1998 HydrophobicContact CD2-CG 4.22Å; Y1937-E1998 HydrophobicContact CE1-CB 4.31Å; Y1937-E1998 PolarHBondContact OH-OE2 3.27Å; F1994-E1998 HydrophobicContact CD1-CB 4.42Å; F1994-E1998 HydrophobicContact CE1-CB 3.54Å; F1994-E1998 HydrophobicContact CZ-CB 3.81Å; N1995-E1998 HydrophobicContact CB-CG 4.17Å; N1995-E1998 WeakPolarHBondContact O-CB 3.39Å; N1995-E1998 PolarHBondContact O-N 2.71Å; I1996-E1998 PolarHBondContact O-N 3.36Å; E1998-S2001 PolarHBondContact O-N 3.08Å; E1998-A2002 WeakPolarHBondContact O-CB 3.48Å; E1998-A2002 PolarHBondContact O-N 2.98Å |
| 1999 | W | 92.4 | Very high | 87.3 | Confident | 7 Ų | 7 | 59.2 Ų | 59.2 | 3% | 0.027 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.4 | -48.1 | -172.6 | -75.8 | 18.9 | 0 | 0 | 0 | 112.4 | I1959 R1962 I1963 F1990 E1991 F1994 I1996 A2002 K2003 | I1959-W1999 HydrophobicContact CG2-CB 4.27Å; I1959-W1999 WeakPolarHBondContact CG2-O 3.29Å; R1962-W1999 HydrophobicContact CB-CH2 4.31Å; R1962-W1999 HydrophobicContact CB-CZ3 4.18Å; I1963-W1999 HydrophobicContact CD1-CB 4.4Å; I1963-W1999 HydrophobicContact CG1-CB 4.46Å; I1963-W1999 HydrophobicContact CG1-CE3 3.71Å; I1963-W1999 HydrophobicContact CG1-CZ3 4.39Å; F1990-W1999 HydrophobicContact CB-CZ2 4.23Å; F1990-W1999 HydrophobicContact CD1-CD2 4.11Å; F1990-W1999 AromaticContact CD1-CE2 3.48Å; F1990-W1999 VanDerWaalsContact CD1-CE2 3.48Å; F1990-W1999 HydrophobicContact CD1-CE3 4.42Å; F1990-W1999 AromaticContact CD1-CH2 3.58Å; F1990-W1999 HydrophobicContact CD1-CH2 3.58Å; F1990-W1999 AromaticContact CD1-CZ2 3.19Å; F1990-W1999 HydrophobicContact CD1-CZ2 3.19Å; F1990-W1999 HydrophobicContact CD1-CZ3 4.19Å; F1990-W1999 AromaticContact CE1-CD1 4Å; F1990-W1999 AromaticContact CE1-CD2 3.72Å; F1990-W1999 HydrophobicContact CE1-CD2 3.72Å; F1990-W1999 AromaticContact CE1-CE2 3.37Å; F1990-W1999 HydrophobicContact CE1-CE3 4.28Å; F1990-W1999 HydrophobicContact CE1-CG 4.1Å; F1990-W1999 HydrophobicContact CE1-CH2 4.2Å; F1990-W1999 AromaticContact CE1-CZ2 3.65Å; F1990-W1999 HydrophobicContact CE1-CZ2 3.65Å; F1990-W1999 HydrophobicContact CE1-CZ3 4.5Å; F1990-W1999 AromaticContact CE1-NE1 3.59Å; F1990-W1999 HydrophobicContact CG-CH2 4.4Å; F1990-W1999 AromaticContact CG-CZ2 3.84Å; F1990-W1999 HydrophobicContact CG-CZ2 3.84Å; F1990-W1999 AromaticContact CZ-NE1 3.91Å; E1991-W1999 HydrophobicContact CB-CZ2 4.41Å; E1991-W1999 HydrophobicContact CG-CH2 3.62Å; E1991-W1999 HydrophobicContact CG-CZ2 3.86Å; F1994-W1999 AromaticContact CD1-CD1 3.7Å; F1994-W1999 AromaticContact CD1-NE1 3.98Å; F1994-W1999 PolarHBondContact O-NE1 3.44Å; I1996-W1999 HydrophobicContact CG1-CZ2 4.07Å; I1996-W1999 PolarHBondContact O-N 3.5Å; W1999-A2002 PolarHBondContact O-N 2.81Å; W1999-K2003 WeakPolarHBondContact O-CB 3.34Å; W1999-K2003 PolarHBondContact O-N 2.59Å |
| 2000 | D | 90 | Very high | 87.7 | Confident | 111 Ų | 111 | 58.4 Ų | 58.4 | 59% | 0.594 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -68.7 | -37.9 | 178.4 | -67.7 | -63 | 0 | 0 | 0 | 111.9 | K2003 A2004 | D2000-K2003 PolarHBondContact O-N 3.22Å; D2000-A2004 WeakPolarHBondContact O-CB 3.01Å; D2000-A2004 PolarHBondContact O-N 2.75Å |
| 2001 | S | 90.9 | Very high | 87.9 | Confident | 58 Ų | 58 | 61.3 Ų | 61.3 | 41% | 0.406 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 173 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | Y1937 E1998 A2004 Y2005 | Y1937-S2001 WeakPolarHBondContact OH-CB 3.44Å; E1998-S2001 PolarHBondContact O-N 3.08Å; S2001-A2004 PolarHBondContact O-N 2.85Å; S2001-Y2005 WeakPolarHBondContact O-CB 3.21Å; S2001-Y2005 PolarHBondContact O-N 2.86Å |
| 2002 | A | 92.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.3 | -39.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1937 I1959 F1994 E1998 W1999 A2004 Y2005 F2006 | Y1937-A2002 HydrophobicContact CD2-CB 3.73Å; Y1937-A2002 VanDerWaalsContact CE2-CA 3.43Å; Y1937-A2002 HydrophobicContact CE2-CB 3.73Å; Y1937-A2002 HydrophobicContact CG-CB 4.4Å; I1959-A2002 HydrophobicContact CD1-CB 3.88Å; F1994-A2002 HydrophobicContact CE1-CB 3.75Å; F1994-A2002 HydrophobicContact CZ-CB 4.04Å; E1998-A2002 WeakPolarHBondContact O-CB 3.48Å; E1998-A2002 PolarHBondContact O-N 2.98Å; W1999-A2002 PolarHBondContact O-N 2.81Å; A2002-A2004 VanDerWaalsContact C-N 3.34Å; A2002-A2004 PolarHBondContact O-N 2.74Å; A2002-Y2005 PolarHBondContact O-N 2.81Å; A2002-F2006 WeakPolarHBondContact O-CD2 3.47Å; A2002-F2006 PolarHBondContact O-N 2.7Å |
| 2003 | K | 94.2 | Very high | 89 | Confident | 49 Ų | 49 | 57.6 Ų | 57.6 | 21% | 0.213 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.1 | -48.4 | 170.8 | -174.2 | -170.3 | 174.8 | -172.8 | 0 | 110.3 | A1956 I1959 E1960 W1999 D2000 Y2005 F2006 S2007 | A1956-K2003 HydrophobicContact CB-CG 4.45Å; I1959-K2003 HydrophobicContact CB-CB 4.44Å; I1959-K2003 HydrophobicContact CG2-CB 3.99Å; E1960-K2003 HydrophobicContact CB-CD 4.3Å; E1960-K2003 IonicContact OE1-NZ 2.95Å; E1960-K2003 PolarHBondContact OE1-NZ 3.43Å; E1960-K2003 WeakPolarHBondContact OE2-CE 3.48Å; E1960-K2003 IonicContact OE2-NZ 2.67Å; E1960-K2003 PolarHBondContact OE2-NZ 3.13Å; W1999-K2003 WeakPolarHBondContact O-CB 3.34Å; W1999-K2003 PolarHBondContact O-N 2.59Å; D2000-K2003 PolarHBondContact O-N 3.22Å; K2003-Y2005 VanDerWaalsContact C-N 3.32Å; K2003-Y2005 PolarHBondContact O-N 2.91Å; K2003-F2006 PolarHBondContact O-N 2.85Å; K2003-S2007 VanDerWaalsContact O-CB 3.28Å; K2003-S2007 WeakPolarHBondContact O-CB 3.35Å; K2003-S2007 PolarHBondContact O-N 3.06Å; K2003-S2007 PolarHBondContact O-OG 2.89Å |
| 2004 | A | 91.5 | Very high | 89.1 | Confident | 44 Ų | 44 | 61.1 Ų | 61.1 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.1 | -32.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D2000 S2001 A2002 R2008 | D2000-A2004 WeakPolarHBondContact O-CB 3.01Å; D2000-A2004 PolarHBondContact O-N 2.75Å; S2001-A2004 PolarHBondContact O-N 2.85Å; A2002-A2004 VanDerWaalsContact C-N 3.34Å; A2002-A2004 PolarHBondContact O-N 2.74Å; A2004-R2008 WeakPolarHBondContact O-CG 3.44Å |
| 2005 | Y | 93.6 | Very high | 89.3 | Confident | 52 Ų | 52 | 65.2 Ų | 65.2 | 20% | 0.204 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.1 | -53 | 173.7 | -179.5 | -94 | 0 | 0 | 0 | 111.8 | C1936 Y1937 H1939 T1943 S2001 A2002 K2003 S2007 R2008 | C1936-Y2005 WeakPolarHBondContact O-CE1 3.44Å; Y1937-Y2005 HydrophobicContact CD2-CD1 4.23Å; Y1937-Y2005 HydrophobicContact CD2-CG 4.16Å; H1939-Y2005 PolarHBondContact N-OH 2.87Å; T1943-Y2005 HydrophobicContact CG2-CE1 4.44Å; T1943-Y2005 PolarHBondContact OG1-OH 2.84Å; S2001-Y2005 WeakPolarHBondContact O-CB 3.21Å; S2001-Y2005 PolarHBondContact O-N 2.86Å; A2002-Y2005 PolarHBondContact O-N 2.81Å; K2003-Y2005 VanDerWaalsContact C-N 3.32Å; K2003-Y2005 PolarHBondContact O-N 2.91Å; Y2005-S2007 PolarHBondContact O-N 3.19Å; Y2005-R2008 PolarHBondContact O-N 3.16Å |
| 2006 | F | 93.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 0% | 0.004 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -77.9 | -2.1 | -178.1 | -66.2 | -62.1 | 0 | 0 | 0 | 114.7 | I1933 C1936 L1946 P1952 S1953 L1955 A1956 I1959 A2002 K2003 | I1933-F2006 HydrophobicContact CB-CE2 4.32Å; I1933-F2006 HydrophobicContact CG1-CE2 4.08Å; I1933-F2006 HydrophobicContact CG2-CE2 4.16Å; C1936-F2006 HydrophobicContact CB-CE1 3.83Å; C1936-F2006 HydrophobicContact CB-CZ 3.96Å; L1946-F2006 HydrophobicContact CD2-CE1 4.49Å; P1952-F2006 CarbonylContact C-O 3.52Å; P1952-F2006 HydrophobicContact CB-CD1 4.22Å; S1953-F2006 PolarHBondContact N-O 3.09Å; L1955-F2006 HydrophobicContact CB-CB 4.48Å; L1955-F2006 HydrophobicContact CB-CD2 4.29Å; L1955-F2006 HydrophobicContact CB-CG 4.22Å; L1955-F2006 HydrophobicContact CD1-CD1 4.34Å; L1955-F2006 HydrophobicContact CD1-CE1 4.1Å; L1955-F2006 HydrophobicContact CD1-CZ 4.24Å; A1956-F2006 HydrophobicContact CB-CB 3.9Å; I1959-F2006 HydrophobicContact CD1-CD2 4Å; A2002-F2006 WeakPolarHBondContact O-CD2 3.47Å; A2002-F2006 PolarHBondContact O-N 2.7Å; K2003-F2006 PolarHBondContact O-N 2.85Å |
| 2007 | S | 89 | Confident | 90.1 | Very high | 73 Ų | 73 | 63.9 Ų | 63.9 | 51% | 0.51 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -4.2 | 172.7 | -57.8 | 0 | 0 | 0 | 0 | 113.7 | A1956 K2003 Y2005 | A1956-S2007 WeakPolarHBondContact CB-OG 3.46Å; K2003-S2007 VanDerWaalsContact O-CB 3.28Å; K2003-S2007 WeakPolarHBondContact O-CB 3.35Å; K2003-S2007 PolarHBondContact O-N 3.06Å; K2003-S2007 PolarHBondContact O-OG 2.89Å; Y2005-S2007 PolarHBondContact O-N 3.19Å |
| 2008 | R | 80.2 | Confident | 90.7 | Very high | 253 Ų | 253 | 63 Ų | 63 | 96% | 0.955 | 32% | 0.317 | S | S | * | . | trans | -93 | 0 | 175.7 | -69.7 | 168.7 | -177.8 | -176.1 | 1.8 | 111 | A2004 Y2005 | A2004-R2008 WeakPolarHBondContact O-CG 3.44Å; Y2005-R2008 PolarHBondContact O-N 3.16Å |
Retrieved 2,008 of 2,008 residues in 2032 ms
(Link to these results)