| 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 | 48.5 | Very low | 66.2 | Low | 240 Ų | 240 | 131.8 Ų | 131.8 | 100% | 1.182 | 64% | 0.635 | S | S | * | * | 0 | 37.3 | 0 | -64.2 | 168.3 | 74.2 | 0 | 0 | 112.9 | |||||
| 2 | K | 60.2 | Low | 67.1 | Low | 193 Ų | 193 | 125.4 Ų | 125.4 | 84% | 0.839 | 61% | 0.606 | S | S | * | * | trans | -104.8 | -0.5 | -167.3 | -125.2 | 171.4 | 172.7 | 178.8 | 0 | 115.3 | ||||
| 3 | N | 59.8 | Low | 68 | Low | 138 Ų | 138 | 124.1 Ų | 124.1 | 74% | 0.738 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -100.3 | -9.4 | -169.7 | -58.1 | 4.8 | 0 | 0 | 0 | 114 | T7 | N3-T7 PolarHBondContact O-OG1 3.22Š|
| 4 | R | 61.9 | Low | 68.4 | Low | 221 Ų | 221 | 117.8 Ų | 117.8 | 83% | 0.834 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -73.8 | -27.8 | -177.4 | -74.9 | -168 | 174.9 | -154.3 | -0.7 | 114.1 | W8 | R4-W8 PolarHBondContact O-N 3.1Å |
| 5 | L | 64.7 | Low | 69 | Low | 118 Ų | 118 | 119 Ų | 119 | 62% | 0.618 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.6 | -39.1 | 179.4 | -89.6 | 109.5 | 0 | 0 | 0 | 112.2 | W8 W9 | L5-W8 PolarHBondContact O-N 3.11Å; L5-W9 PolarHBondContact O-N 3.17Å |
| 6 | G | 67.8 | Low | 69.4 | Low | 46 Ų | 46 | 117.3 Ų | 117.3 | 47% | 0.474 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.3 | -45.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | W8 W9 V10 | G6-W8 VanDerWaalsContact C-N 3.31Å; G6-W8 PolarHBondContact O-N 3.45Å; G6-W9 PolarHBondContact O-N 3.41Å; G6-V10 WeakPolarHBondContact O-CG2 3.47Å; G6-V10 PolarHBondContact O-N 2.9Å |
| 7 | T | 67 | Low | 69.5 | Low | 45 Ų | 45 | 116.7 Ų | 116.7 | 28% | 0.276 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.7 | -37.2 | 179.2 | -42.7 | 0 | 0 | 0 | 0 | 112.2 | N3 V10 A11 | N3-T7 PolarHBondContact O-OG1 3.22Å; T7-V10 PolarHBondContact O-N 2.96Å; T7-A11 PolarHBondContact O-N 3.49Å; T7-A11 VanDerWaalsContact O-N 3.08Å |
| 8 | W | 72.8 | Confident | 69.4 | Low | 169 Ų | 169 | 113.2 Ų | 113.2 | 64% | 0.64 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.7 | -39.4 | 179.6 | -167.6 | 48.5 | 0 | 0 | 0 | 112.4 | R4 L5 G6 A11 I12 | R4-W8 PolarHBondContact O-N 3.1Å; L5-W8 PolarHBondContact O-N 3.11Å; G6-W8 VanDerWaalsContact C-N 3.31Å; G6-W8 PolarHBondContact O-N 3.45Å; W8-A11 PolarHBondContact O-N 3.25Å; W8-I12 HydrophobicContact CD2-CD1 3.9Å; W8-I12 HydrophobicContact CE3-CD1 4.25Å; W8-I12 HydrophobicContact CG-CD1 4.34Å; W8-I12 HydrophobicContact CH2-CD1 4.39Å; W8-I12 HydrophobicContact CZ2-CD1 4.04Å; W8-I12 HydrophobicContact CZ3-CD1 4.48Å; W8-I12 WeakPolarHBondContact O-CG1 3.5Å; W8-I12 PolarHBondContact O-N 3.22Å |
| 9 | W | 76 | Confident | 69.1 | Low | 168 Ų | 168 | 110.7 Ų | 110.7 | 64% | 0.636 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.6 | -41 | 174.5 | -83.9 | 110.1 | 0 | 0 | 0 | 112.9 | L5 G6 A11 I12 L13 | L5-W9 PolarHBondContact O-N 3.17Å; G6-W9 PolarHBondContact O-N 3.41Å; W9-A11 VanDerWaalsContact C-N 3.35Å; W9-I12 PolarHBondContact O-N 3.45Å; W9-L13 WeakPolarHBondContact O-CB 3.48Å; W9-L13 PolarHBondContact O-N 3.12Å |
| 10 | V | 74.7 | Confident | 68.6 | Low | 79 Ų | 79 | 111.9 Ų | 111.9 | 48% | 0.479 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.5 | -40.7 | 176.4 | 177.8 | 0 | 0 | 0 | 0 | 111 | G6 T7 L13 C14 F173 | G6-V10 WeakPolarHBondContact O-CG2 3.47Å; G6-V10 PolarHBondContact O-N 2.9Å; T7-V10 PolarHBondContact O-N 2.96Å; V10-L13 PolarHBondContact O-N 3.4Å; V10-C14 PolarHBondContact O-N 3.28Å; V10-F173 HydrophobicContact CB-CE1 4.36Å; V10-F173 HydrophobicContact CG1-CE1 3.82Å; V10-F173 HydrophobicContact CG1-CZ 3.87Å |
| 11 | A | 74.3 | Confident | 68 | Low | 33 Ų | 33 | 113 Ų | 113 | 27% | 0.273 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62 | -44.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T7 W8 W9 C14 M15 F173 | T7-A11 PolarHBondContact O-N 3.49Å; T7-A11 VanDerWaalsContact O-N 3.08Å; W8-A11 PolarHBondContact O-N 3.25Å; W9-A11 VanDerWaalsContact C-N 3.35Å; A11-C14 PolarHBondContact O-N 3.21Å; A11-M15 VanDerWaalsContact O-CG 3.3Å; A11-M15 WeakPolarHBondContact O-CG 3.46Å; A11-M15 PolarHBondContact O-N 2.93Å; A11-F173 HydrophobicContact CB-CE1 3.95Å; A11-F173 HydrophobicContact CB-CZ 4.39Å |
| 12 | I | 78 | Confident | 68.3 | Low | 55 Ų | 55 | 105.8 Ų | 105.8 | 28% | 0.282 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 177 | -67.4 | 165.8 | 0 | 0 | 0 | 110.7 | W8 W9 C14 M15 L16 | W8-I12 HydrophobicContact CD2-CD1 3.9Å; W8-I12 HydrophobicContact CE3-CD1 4.25Å; W8-I12 HydrophobicContact CG-CD1 4.34Å; W8-I12 HydrophobicContact CH2-CD1 4.39Å; W8-I12 HydrophobicContact CZ2-CD1 4.04Å; W8-I12 HydrophobicContact CZ3-CD1 4.48Å; W8-I12 WeakPolarHBondContact O-CG1 3.5Å; W8-I12 PolarHBondContact O-N 3.22Å; W9-I12 PolarHBondContact O-N 3.45Å; I12-C14 VanDerWaalsContact C-N 3.35Å; I12-C14 PolarHBondContact O-N 2.73Å; I12-M15 PolarHBondContact O-N 3.49Å; I12-L16 HydrophobicContact CG2-CD1 3.85Å; I12-L16 HydrophobicContact CG2-CG 4.38Å; I12-L16 WeakPolarHBondContact O-CG 3.28Å; I12-L16 PolarHBondContact O-N 3.3Å |
| 13 | L | 78.6 | Confident | 67.9 | Low | 108 Ų | 108 | 101.8 Ų | 101.8 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.9 | -43.3 | 178.8 | -168.9 | 71.9 | 0 | 0 | 0 | 111.7 | W9 V10 L16 L17 | W9-L13 WeakPolarHBondContact O-CB 3.48Å; W9-L13 PolarHBondContact O-N 3.12Å; V10-L13 PolarHBondContact O-N 3.4Å; L13-L16 PolarHBondContact O-N 3.01Å; L13-L17 HydrophobicContact CG-CD1 4.26Å; L13-L17 WeakPolarHBondContact O-CG 3.35Å; L13-L17 PolarHBondContact O-N 3.37Å |
| 14 | C | 73.6 | Confident | 67.5 | Low | 36 Ų | 36 | 101.1 Ų | 101.1 | 24% | 0.243 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -65.3 | -41 | 175.8 | -76.7 | 0 | 0 | 0 | 0 | 112.7 | V10 A11 I12 L17 A18 F173 | V10-C14 PolarHBondContact O-N 3.28Å; A11-C14 PolarHBondContact O-N 3.21Å; I12-C14 VanDerWaalsContact C-N 3.35Å; I12-C14 PolarHBondContact O-N 2.73Å; C14-L17 PolarHBondContact O-N 3.24Å; C14-A18 WeakPolarHBondContact O-CB 3.49Å; C14-A18 PolarHBondContact O-N 3.3Å; C14-F173 HydrophobicContact CB-CE2 3.82Å; C14-F173 HydrophobicContact CB-CZ 3.74Å; C14-F173 VanDerWaalsContact SG-CZ 3.53Å |
| 15 | M | 76.9 | Confident | 67 | Low | 136 Ų | 136 | 98.7 Ų | 98.7 | 67% | 0.67 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.6 | -41.5 | 176.5 | -70.8 | -68.4 | -88.3 | 0 | 0 | 111.5 | A11 I12 A18 S19 | A11-M15 VanDerWaalsContact O-CG 3.3Å; A11-M15 WeakPolarHBondContact O-CG 3.46Å; A11-M15 PolarHBondContact O-N 2.93Å; I12-M15 PolarHBondContact O-N 3.49Å; M15-A18 PolarHBondContact O-N 3.28Å; M15-S19 WeakPolarHBondContact O-CB 3.38Å; M15-S19 PolarHBondContact O-N 2.89Å; M15-S19 PolarHBondContact O-OG 2.98Å |
| 16 | L | 74.9 | Confident | 66.3 | Low | 92 Ų | 92 | 97.5 Ų | 97.5 | 48% | 0.482 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 176.7 | -74 | 168.2 | 0 | 0 | 0 | 111.8 | I12 L13 A18 S19 H20 | I12-L16 HydrophobicContact CG2-CD1 3.85Å; I12-L16 HydrophobicContact CG2-CG 4.38Å; I12-L16 WeakPolarHBondContact O-CG 3.28Å; I12-L16 PolarHBondContact O-N 3.3Å; L13-L16 PolarHBondContact O-N 3.01Å; L16-A18 PolarHBondContact O-N 3.47Å; L16-S19 PolarHBondContact O-N 3.48Å; L16-H20 PolarHBondContact O-CD2 3.28Å; L16-H20 VanDerWaalsContact O-CD2 3.32Å; L16-H20 PolarHBondContact O-N 3.04Å; L16-H20 VanDerWaalsContact O-N 3.09Å |
| 17 | L | 72.1 | Confident | 65.5 | Low | 107 Ų | 107 | 107.2 Ų | 107.2 | 56% | 0.56 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.7 | -41.9 | 176.8 | -74.7 | 163.4 | 0 | 0 | 0 | 112.1 | L13 C14 S19 L21 | L13-L17 HydrophobicContact CG-CD1 4.26Å; L13-L17 WeakPolarHBondContact O-CG 3.35Å; L13-L17 PolarHBondContact O-N 3.37Å; C14-L17 PolarHBondContact O-N 3.24Å; L17-S19 VanDerWaalsContact C-N 3.33Å; L17-S19 PolarHBondContact O-N 3.06Å; L17-L21 WeakPolarHBondContact O-CG 3.21Å; L17-L21 PolarHBondContact O-N 3.22Å |
| 18 | A | 67.2 | Low | 64.5 | Low | 53 Ų | 53 | 108 Ų | 108 | 44% | 0.438 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.1 | -33.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C14 M15 L16 S22 | C14-A18 WeakPolarHBondContact O-CB 3.49Å; C14-A18 PolarHBondContact O-N 3.3Å; M15-A18 PolarHBondContact O-N 3.28Å; L16-A18 PolarHBondContact O-N 3.47Å; A18-S22 PolarHBondContact O-N 2.78Å; A18-S22 PolarHBondContact O-OG 3.05Å |
| 19 | S | 64.5 | Low | 63.3 | Low | 66 Ų | 66 | 107.9 Ų | 107.9 | 46% | 0.462 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.6 | -41.3 | 179.2 | -55.8 | 0 | 0 | 0 | 0 | 112.2 | M15 L16 L17 L21 S22 T23 | M15-S19 WeakPolarHBondContact O-CB 3.38Å; M15-S19 PolarHBondContact O-N 2.89Å; M15-S19 PolarHBondContact O-OG 2.98Å; L16-S19 PolarHBondContact O-N 3.48Å; L17-S19 VanDerWaalsContact C-N 3.33Å; L17-S19 PolarHBondContact O-N 3.06Å; S19-L21 VanDerWaalsContact C-N 3.31Å; S19-L21 PolarHBondContact O-N 2.84Å; S19-S22 PolarHBondContact O-N 3.15Å; S19-T23 PolarHBondContact O-N 3.31Å; S19-T23 PolarHBondContact O-OG1 2.89Å |
| 20 | H | 58.7 | Low | 62 | Low | 135 Ų | 135 | 109.4 Ų | 109.4 | 63% | 0.625 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.9 | -29.6 | 177.7 | -85.2 | -75.4 | 0 | 0 | 0 | 113 | L16 T23 | L16-H20 PolarHBondContact O-CD2 3.28Å; L16-H20 VanDerWaalsContact O-CD2 3.32Å; L16-H20 PolarHBondContact O-N 3.04Å; L16-H20 VanDerWaalsContact O-N 3.09Å; H20-T23 PolarHBondContact O-OG1 3.13Å |
| 21 | L | 56.9 | Low | 60.9 | Low | 135 Ų | 135 | 113.1 Ų | 113.1 | 71% | 0.707 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -76.9 | -25 | 176.2 | -67.9 | 169.3 | 0 | 0 | 0 | 112.7 | L17 S19 | L17-L21 WeakPolarHBondContact O-CG 3.21Å; L17-L21 PolarHBondContact O-N 3.22Å; S19-L21 VanDerWaalsContact C-N 3.31Å; S19-L21 PolarHBondContact O-N 2.84Å |
| 22 | S | 54.4 | Low | 59.5 | Low | 89 Ų | 89 | 122.9 Ų | 122.9 | 62% | 0.622 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -80.4 | -29.4 | 179.2 | -67.6 | 0 | 0 | 0 | 0 | 113.5 | A18 S19 V24 | A18-S22 PolarHBondContact O-N 2.78Å; A18-S22 PolarHBondContact O-OG 3.05Å; S19-S22 PolarHBondContact O-N 3.15Å; S22-V24 VanDerWaalsContact C-N 3.31Å; S22-V24 PolarHBondContact O-N 2.79Å |
| 23 | T | 50.7 | Low | 58.5 | Low | 108 Ų | 108 | 125.3 Ų | 125.3 | 66% | 0.663 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -76.5 | -12.9 | -176.5 | 46.9 | 0 | 0 | 0 | 0 | 114.4 | S19 H20 | S19-T23 PolarHBondContact O-N 3.31Å; S19-T23 PolarHBondContact O-OG1 2.89Å; H20-T23 PolarHBondContact O-OG1 3.13Å |
| 24 | V | 51.7 | Low | 57.5 | Low | 125 Ų | 125 | 128.5 Ų | 128.5 | 76% | 0.758 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -82.6 | -12.4 | 177.9 | -176.9 | 0 | 0 | 0 | 0 | 112.8 | S22 | S22-V24 VanDerWaalsContact C-N 3.31Å; S22-V24 PolarHBondContact O-N 2.79Å |
| 25 | K | 51.5 | Low | 56.7 | Low | 170 Ų | 170 | 132.2 Ų | 132.2 | 74% | 0.739 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -91.2 | 6.6 | -170 | -107.2 | 174 | -177.3 | 164.1 | 0 | 117 | ||
| 26 | A | 51 | Low | 55.3 | Low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -99.4 | 1.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 27 | R | 49.2 | Very low | 54.3 | Low | 251 Ų | 251 | 136.6 Ų | 136.6 | 95% | 0.947 | 68% | 0.683 | S | S | * | * | trans | -112.6 | 69.6 | 178.7 | -73.9 | -174.5 | 179.3 | 174.3 | 0.4 | 112.6 | ||||
| 28 | G | 46.7 | Very low | 53 | Low | 62 Ų | 62 | 141.2 Ų | 141.2 | 64% | 0.639 | 70% | 0.698 | S | S | * | * | trans | -127 | 93 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | K30 | G28-K30 PolarHBondContact O-N 3.38Š| ||
| 29 | I | 47.5 | Very low | 52.2 | Low | 166 Ų | 166 | 145.1 Ų | 145.1 | 85% | 0.851 | 72% | 0.716 | S | S | * | * | trans | -64.3 | 96.4 | 175.5 | -62.2 | 169.3 | 0 | 0 | 0 | 107.9 | H31 | I29-H31 PolarHBondContact O-N 3.06Š| ||
| 30 | K | 49.2 | Very low | 51.6 | Low | 199 Ų | 199 | 149.3 Ų | 149.3 | 87% | 0.865 | 73% | 0.733 | S | S | * | * | trans | -80.4 | 102.4 | 168.8 | -82.1 | -175.3 | 175 | -177.3 | 0 | 108.6 | G28 R32 | G28-K30 PolarHBondContact O-N 3.38Å; K30-R32 PolarHBondContact O-N 3.12Å; K30-R32 VanDerWaalsContact O-N 3.1Å | ||
| 31 | H | 50.8 | Low | 50.9 | Low | 158 Ų | 158 | 148.1 Ų | 148.1 | 73% | 0.731 | 74% | 0.737 | S | S | * | * | trans | -63.2 | 108.3 | 162.9 | -123.7 | -95.5 | 0 | 0 | 0 | 108.3 | I29 F33 | I29-H31 PolarHBondContact O-N 3.06Å; H31-F33 PolarHBondContact O-N 3.26Å; H31-F33 VanDerWaalsContact O-N 3.09Å | ||
| 32 | R | 45.1 | Very low | 50.3 | Low | 237 Ų | 237 | 148 Ų | 148 | 89% | 0.894 | 75% | 0.747 | S | S | * | * | trans | -82.5 | 83.7 | -176.6 | -163.3 | -178.8 | -167.9 | -176.4 | 4.2 | 109.4 | K30 K34 | K30-R32 PolarHBondContact O-N 3.12Å; K30-R32 VanDerWaalsContact O-N 3.1Å; R32-K34 PolarHBondContact O-N 3.22Å; R32-K34 VanDerWaalsContact O-N 3.16Å | ||
| 33 | F | 57.3 | Low | 49.7 | Very low | 106 Ų | 106 | 148.5 Ų | 148.5 | 47% | 0.465 | 75% | 0.751 | S | S | . | * | trans | -68.7 | 106 | 166.7 | -91.7 | -84.7 | 0 | 0 | 0 | 109.6 | H31 W35 D68 I69 | H31-F33 PolarHBondContact O-N 3.26Å; H31-F33 VanDerWaalsContact O-N 3.09Å; F33-W35 PolarHBondContact O-N 3.24Å; F33-D68 WeakPolarHBondContact CE1-O 3.31Å; F33-I69 HydrophobicContact CE1-CG1 4.45Å | ||
| 34 | K | 57.3 | Low | 49.2 | Very low | 176 Ų | 176 | 147.7 Ų | 147.7 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | trans | -81 | 80.6 | 178.6 | -169.1 | -179.1 | 179.5 | -176 | 0 | 110 | R32 N36 | R32-K34 PolarHBondContact O-N 3.22Å; R32-K34 VanDerWaalsContact O-N 3.16Å; K34-N36 PolarHBondContact O-N 2.79Å | ||
| 35 | W | 58.2 | Low | 48.5 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 43% | 0.432 | 75% | 0.749 | S | S | . | * | trans | -73.9 | 100 | 165.9 | -96.2 | 78.7 | 0 | 0 | 0 | 109.5 | F33 R37 R65 D88 | F33-W35 PolarHBondContact O-N 3.24Å; W35-R37 VanDerWaalsContact C-N 3.32Å; W35-R37 HydrophobicContact CE3-CG 4.41Å; W35-R37 PolarHBondContact O-N 3.32Å; W35-R65 VanDerWaalsContact CZ3-NH2 3.34Å; W35-D88 WeakPolarHBondContact CH2-O 3.34Å; W35-D88 WeakPolarHBondContact CZ2-O 3.28Å | ||
| 36 | N | 47.6 | Very low | 48.1 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | trans | -68.9 | 88.5 | 167 | -106.8 | -14.5 | 0 | 0 | 0 | 108.9 | K34 | K34-N36 PolarHBondContact O-N 2.79Š| ||
| 37 | R | 52.6 | Low | 48 | Very low | 190 Ų | 190 | 146.3 Ų | 146.3 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | trans | -86 | 109.5 | 165.2 | -77.6 | -170.6 | -163 | 168.8 | 7.2 | 109.1 | W35 | W35-R37 VanDerWaalsContact C-N 3.32Å; W35-R37 HydrophobicContact CE3-CG 4.41Å; W35-R37 PolarHBondContact O-N 3.32Å | ||
| 38 | K | 45.7 | Very low | 48.3 | Very low | 204 Ų | 204 | 138.4 Ų | 138.4 | 89% | 0.887 | 73% | 0.73 | S | S | * | * | trans | -80.7 | 120.4 | 145.9 | -68.3 | -173.3 | -179.3 | -172.9 | 0 | 105.9 | L40 | K38-L40 PolarHBondContact O-N 3.42Š| ||
| 39 | V | 49.3 | Very low | 48.6 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -65.6 | 114.4 | 172.4 | 178.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 40 | L | 52.9 | Low | 49 | Very low | 154 Ų | 154 | 139 Ų | 139 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | trans | -75.5 | 133.3 | 173.9 | -150.7 | 74.2 | 0 | 0 | 0 | 107.8 | K38 S42 | K38-L40 PolarHBondContact O-N 3.42Å; L40-S42 PolarHBondContact O-N 2.81Å | ||
| 41 | P | 42.6 | Very low | 49.4 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 71% | 0.708 | 71% | 0.706 | S | S | * | * | trans | -65.7 | 127.2 | 179.3 | -3.3 | 14.9 | 0 | 0 | 0 | 109.2 | S43 | P41-S43 VanDerWaalsContact C-N 3.31Å; P41-S43 PolarHBondContact O-N 2.93Å | ||
| 42 | S | 45.9 | Very low | 49.7 | Very low | 133 Ų | 133 | 132 Ų | 132 | 93% | 0.93 | 70% | 0.695 | S | S | * | * | trans | -68.3 | 91.4 | 171.7 | -153.1 | 0 | 0 | 0 | 0 | 108.2 | L40 | L40-S42 PolarHBondContact O-N 2.81Š| ||
| 43 | S | 41.5 | Very low | 50.6 | Low | 100 Ų | 100 | 123.3 Ų | 123.3 | 70% | 0.699 | 67% | 0.674 | S | S | * | * | trans | -90.7 | 111.1 | 177.1 | -159.2 | 0 | 0 | 0 | 0 | 109.1 | P41 G45 | P41-S43 VanDerWaalsContact C-N 3.31Å; P41-S43 PolarHBondContact O-N 2.93Å; S43-G45 VanDerWaalsContact C-N 3.34Å; S43-G45 PolarHBondContact O-N 2.77Å | ||
| 44 | G | 39.5 | Very low | 51 | Low | 90 Ų | 90 | 123.9 Ų | 123.9 | 93% | 0.928 | 68% | 0.678 | S | S | * | * | trans | -67.6 | 79.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 45 | G | 37.4 | Very low | 52 | Low | 44 Ų | 44 | 119.6 Ų | 119.6 | 45% | 0.454 | 66% | 0.664 | S | S | . | * | trans | -129.2 | 124.5 | 170 | 0 | 0 | 0 | 0 | 0 | 109.8 | S43 | S43-G45 VanDerWaalsContact C-N 3.34Å; S43-G45 PolarHBondContact O-N 2.77Å | ||
| 46 | Q | 42 | Very low | 53.4 | Low | 187 Ų | 187 | 119.2 Ų | 119.2 | 87% | 0.874 | 66% | 0.662 | S | S | * | * | trans | 3.7 | 114 | 172.9 | -69.5 | 177 | -18.1 | 0 | 0 | 116.2 | T48 | Q46-T48 PolarHBondContact O-N 3.34Š| ||
| 47 | I | 49.7 | Very low | 55.5 | Low | 127 Ų | 127 | 117.1 Ų | 117.1 | 65% | 0.651 | 66% | 0.655 | S | S | * | * | trans | -68.9 | 99.4 | 177.5 | -49.5 | 175.2 | 0 | 0 | 0 | 108.3 | R51 V52 | I47-R51 HydrophobicContact CG2-CB 4Å; I47-V52 HydrophobicContact CG2-CG2 3.44Å; I47-V52 VanDerWaalsContact CG2-CG2 3.44Å | ||
| 48 | T | 54.6 | Low | 57.3 | Low | 85 Ų | 85 | 108 Ų | 108 | 52% | 0.521 | 62% | 0.621 | S | S | . | * | trans | -67.4 | 148.7 | 168.2 | 40.2 | 0 | 0 | 0 | 0 | 110 | Q46 A50 R51 V52 | Q46-T48 PolarHBondContact O-N 3.34Å; T48-A50 PolarHBondContact O-N 3.08Å; T48-R51 WeakPolarHBondContact O-CA 3.09Å; T48-R51 WeakPolarHBondContact O-CB 3.49Å; T48-R51 PolarHBondContact O-N 3.02Å; T48-V52 PolarHBondContact O-N 3.23Å | ||
| 49 | E | 53.6 | Low | 59.6 | Low | 175 Ų | 175 | 98.4 Ų | 98.4 | 82% | 0.818 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -51.7 | -31.6 | -178.9 | -166.2 | 173.1 | 179.1 | 0 | 0 | 113 | V52 A53 | E49-V52 WeakPolarHBondContact O-CB 3.37Å; E49-V52 PolarHBondContact O-N 2.96Å; E49-A53 PolarHBondContact O-N 3.38Å |
| 50 | A | 55.2 | Low | 61.7 | Low | 67 Ų | 67 | 93.1 Ų | 93.1 | 55% | 0.554 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.7 | -42.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T48 A53 E54 | T48-A50 PolarHBondContact O-N 3.08Å; A50-A53 PolarHBondContact O-N 3.29Å; A50-E54 WeakPolarHBondContact O-CG 3.39Å; A50-E54 PolarHBondContact O-N 3.05Å |
| 51 | R | 57.9 | Low | 63.5 | Low | 125 Ų | 125 | 88.8 Ų | 88.8 | 47% | 0.472 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.8 | -31.3 | 174.6 | -80.3 | -173.9 | 173.4 | -177.9 | -1.8 | 112.5 | I47 T48 A53 E54 N55 | I47-R51 HydrophobicContact CG2-CB 4Å; T48-R51 WeakPolarHBondContact O-CA 3.09Å; T48-R51 WeakPolarHBondContact O-CB 3.49Å; T48-R51 PolarHBondContact O-N 3.02Å; R51-A53 VanDerWaalsContact C-N 3.3Å; R51-E54 PolarHBondContact O-N 3.41Å; R51-N55 WeakPolarHBondContact O-CB 3.44Å; R51-N55 PolarHBondContact O-N 3.49Å; R51-N55 VanDerWaalsContact O-N 3.09Å; R51-N55 PolarHBondContact O-ND2 2.69Å |
| 52 | V | 57.8 | Low | 65.7 | Low | 84 Ų | 84 | 88 Ų | 88 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 173.7 | -175.2 | 0 | 0 | 0 | 0 | 110 | I47 T48 E49 E54 N55 R56 | I47-V52 HydrophobicContact CG2-CG2 3.44Å; I47-V52 VanDerWaalsContact CG2-CG2 3.44Å; T48-V52 PolarHBondContact O-N 3.23Å; E49-V52 WeakPolarHBondContact O-CB 3.37Å; E49-V52 PolarHBondContact O-N 2.96Å; V52-E54 VanDerWaalsContact C-N 3.31Å; V52-E54 PolarHBondContact O-N 3Å; V52-N55 PolarHBondContact O-N 3.49Å; V52-R56 PolarHBondContact O-N 2.91Å |
| 53 | A | 63.5 | Low | 67.8 | Low | 54 Ų | 54 | 87.6 Ų | 87.6 | 45% | 0.446 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.6 | -29.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E49 A50 R51 R56 | E49-A53 PolarHBondContact O-N 3.38Å; A50-A53 PolarHBondContact O-N 3.29Å; R51-A53 VanDerWaalsContact C-N 3.3Å; A53-R56 WeakPolarHBondContact O-CD 3.4Å; A53-R56 VanDerWaalsContact O-CG 3.3Å; A53-R56 WeakPolarHBondContact O-CG 3.17Å; A53-R56 PolarHBondContact O-NE 3.28Å |
| 54 | E | 67 | Low | 70 | Confident | 118 Ų | 118 | 84.3 Ų | 84.3 | 55% | 0.551 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -76.3 | -28.4 | 175 | -71.5 | 179.1 | 175.3 | 0 | 0 | 113.2 | A50 R51 V52 A59 | A50-E54 WeakPolarHBondContact O-CG 3.39Å; A50-E54 PolarHBondContact O-N 3.05Å; R51-E54 PolarHBondContact O-N 3.41Å; V52-E54 VanDerWaalsContact C-N 3.31Å; V52-E54 PolarHBondContact O-N 3Å; E54-A59 WeakPolarHBondContact O-CB 3.49Å |
| 55 | N | 77.6 | Confident | 72.4 | Confident | 87 Ų | 87 | 84.3 Ų | 84.3 | 47% | 0.465 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 10.6 | -177.7 | -69.3 | -20.3 | 0 | 0 | 0 | 114 | R51 V52 Y91 | R51-N55 WeakPolarHBondContact O-CB 3.44Å; R51-N55 PolarHBondContact O-N 3.49Å; R51-N55 VanDerWaalsContact O-N 3.09Å; R51-N55 PolarHBondContact O-ND2 2.69Å; V52-N55 PolarHBondContact O-N 3.49Å; N55-Y91 VanDerWaalsContact C-CD1 3.48Å; N55-Y91 HydrophobicContact CB-CE1 4.35Å; N55-Y91 VanDerWaalsContact O-CD1 3.31Å; N55-Y91 WeakPolarHBondContact O-CD1 3.44Å; N55-Y91 WeakPolarHBondContact O-CE1 3.2Å |
| 56 | R | 87.4 | Confident | 75.1 | Confident | 106 Ų | 106 | 88.2 Ų | 88.2 | 40% | 0.4 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -73.5 | 137.2 | 171.6 | 66.6 | -171.4 | 174.3 | 166.8 | 7.2 | 110.1 | V52 A53 G58 A59 Y91 A116 N117 | V52-R56 PolarHBondContact O-N 2.91Å; A53-R56 WeakPolarHBondContact O-CD 3.4Å; A53-R56 VanDerWaalsContact O-CG 3.3Å; A53-R56 WeakPolarHBondContact O-CG 3.17Å; A53-R56 PolarHBondContact O-NE 3.28Å; R56-G58 PolarHBondContact O-N 3.5Å; R56-G58 VanDerWaalsContact O-N 3.14Å; R56-A59 HydrophobicContact CG-CB 3.66Å; R56-A59 VanDerWaalsContact O-CB 3.29Å; R56-A59 WeakPolarHBondContact O-CB 3.27Å; R56-A59 PolarHBondContact O-N 3.33Å; R56-Y91 WeakPolarHBondContact O-CD1 3.47Å; R56-A116 HydrophobicContact CG-CB 4.33Å; R56-A116 PolarHBondContact NH1-O 3.36Å; R56-A116 PolarHBondContact NH2-O 3.09Å; R56-N117 PolarHBondContact NH2-OD1 2.86Å; R56-N117 VanDerWaalsContact NH2-OD1 3.09Å |
| 57 | P | 91 | Very high | 77.4 | Confident | 85 Ų | 85 | 80.6 Ų | 80.6 | 55% | 0.552 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 122.4 | 174.5 | -25.3 | 33.9 | 0 | 0 | 0 | 111.1 | Y92 | P57-Y92 HydrophobicContact CB-CD2 4.28Š|
| 58 | G | 91.8 | Very high | 79.5 | Confident | 0 Ų | 0 | 81.6 Ų | 81.6 | 0% | 0 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | -2.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | R56 Y91 N117 | R56-G58 PolarHBondContact O-N 3.5Å; R56-G58 VanDerWaalsContact O-N 3.14Å; G58-Y91 PolarHBondContact N-O 2.89Å; G58-N117 PolarHBondContact O-ND2 3.1Å |
| 59 | A | 92.9 | Very high | 81.3 | Confident | 2 Ų | 2 | 78.6 Ų | 78.6 | 2% | 0.017 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 141 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E54 R56 I90 Y91 | E54-A59 WeakPolarHBondContact O-CB 3.49Å; R56-A59 HydrophobicContact CG-CB 3.66Å; R56-A59 VanDerWaalsContact O-CB 3.29Å; R56-A59 WeakPolarHBondContact O-CB 3.27Å; R56-A59 PolarHBondContact O-N 3.33Å; A59-I90 WeakPolarHBondContact O-CA 3.32Å; A59-Y91 PolarHBondContact O-N 3.45Å |
| 60 | F | 93.3 | Very high | 83.3 | Confident | 23 Ų | 23 | 75.7 Ų | 75.7 | 10% | 0.101 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 130.6 | 169.8 | -70.3 | -23.1 | 0 | 0 | 0 | 111.7 | K62 P87 T113 N117 E120 F121 L135 I139 | F60-K62 HydrophobicContact CB-CG 4.24Å; F60-P87 HydrophobicContact CB-CB 3.94Å; F60-P87 HydrophobicContact CD1-CB 3.68Å; F60-P87 HydrophobicContact CD1-CG 3.74Å; F60-P87 HydrophobicContact CE1-CB 4.32Å; F60-P87 HydrophobicContact CE1-CG 3.86Å; F60-P87 HydrophobicContact CG-CB 3.84Å; F60-P87 HydrophobicContact CG-CG 4.14Å; F60-P87 HydrophobicContact CZ-CG 4.37Å; F60-T113 HydrophobicContact CD1-CG2 4.11Å; F60-T113 HydrophobicContact CE1-CG2 3.42Å; F60-T113 VanDerWaalsContact CE1-CG2 3.42Å; F60-T113 HydrophobicContact CZ-CG2 4.25Å; F60-N117 HydrophobicContact CD2-CB 4.11Å; F60-N117 HydrophobicContact CE1-CB 4.48Å; F60-N117 HydrophobicContact CE2-CB 3.71Å; F60-N117 HydrophobicContact CZ-CB 3.91Å; F60-E120 HydrophobicContact CD2-CG 4.21Å; F60-E120 HydrophobicContact CE2-CB 4.04Å; F60-E120 HydrophobicContact CE2-CG 3.94Å; F60-F121 HydrophobicContact CZ-CE2 4.29Å; F60-L135 HydrophobicContact CZ-CD1 4.16Å; F60-I139 HydrophobicContact CE1-CD1 3.9Å; F60-I139 HydrophobicContact CE1-CG1 4.24Å; F60-I139 HydrophobicContact CZ-CD1 3.98Å |
| 61 | I | 90.7 | Very high | 85.1 | Confident | 63 Ų | 63 | 74 Ų | 74 | 32% | 0.323 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 104.5 | 168.6 | -56.2 | 172.3 | 0 | 0 | 0 | 106.3 | Q63 D88 G89 | I61-Q63 HydrophobicContact CG2-CG 4.02Å; I61-D88 WeakPolarHBondContact O-CB 3.26Å; I61-D88 PolarHBondContact O-N 3.14Å; I61-G89 WeakPolarHBondContact CB-O 3.07Å; I61-G89 PolarHBondContact N-O 2.88Å; I61-G89 PolarHBondContact O-N 2.98Å |
| 62 | K | 89.8 | Confident | 86.8 | Confident | 94 Ų | 94 | 69.5 Ų | 69.5 | 41% | 0.409 | 37% | 0.365 | S | S | . | . | trans | -105.8 | 88.2 | -179.9 | -60.4 | -169.2 | -173.4 | -171.3 | 0 | 110.3 | F60 Q85 E120 | F60-K62 HydrophobicContact CB-CG 4.24Å; K62-Q85 PolarHBondContact NZ-O 3.39Å; K62-E120 IonicContact NZ-OE1 2.69Å; K62-E120 PolarHBondContact NZ-OE1 3.17Å | ||
| 63 | Q | 88.5 | Confident | 88.6 | Confident | 123 Ų | 123 | 69.3 Ų | 69.3 | 58% | 0.575 | 37% | 0.372 | S | S | * | . | trans | -90.5 | -10.9 | 172.9 | -66.5 | 175.5 | -3 | 0 | 0 | 112.7 | I61 R65 D88 | I61-Q63 HydrophobicContact CG2-CG 4.02Å; Q63-R65 HydrophobicContact CB-CG 4.16Å; Q63-D88 VanDerWaalsContact CA-OD2 3.28Å; Q63-D88 WeakPolarHBondContact CA-OD2 3.28Å; Q63-D88 HydrophobicContact CB-CB 4.35Å; Q63-D88 PolarHBondContact N-OD2 2.67Å | ||
| 64 | G | 88.2 | Confident | 90 | Very high | 31 Ų | 31 | 71.7 Ų | 71.7 | 32% | 0.32 | 37% | 0.374 | S | S | . | . | trans | 75.5 | 25.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y83 D88 | G64-Y83 VanDerWaalsContact O-CE2 3.32Å; G64-Y83 WeakPolarHBondContact O-CE2 3.5Å; G64-D88 PolarHBondContact N-OD2 2.89Å | ||
| 65 | R | 90.8 | Very high | 91.3 | Very high | 91 Ų | 91 | 66.3 Ų | 66.3 | 34% | 0.343 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -89.2 | 142.7 | 175.7 | -41.3 | 174.1 | -66.4 | -179.2 | -0.6 | 109.3 | W35 Q63 L67 D88 | W35-R65 VanDerWaalsContact CZ3-NH2 3.34Å; Q63-R65 HydrophobicContact CB-CG 4.16Å; R65-L67 PolarHBondContact O-N 3.24Å; R65-D88 WeakPolarHBondContact CA-OD1 3.45Å; R65-D88 WeakPolarHBondContact CB-OD1 3.33Å; R65-D88 WeakPolarHBondContact CG-OD1 3.31Å; R65-D88 PolarHBondContact N-OD1 2.05Å; R65-D88 PolarHBondContact N-OD2 3.27Å; R65-D88 IonicContact NE-OD1 3.36Å; R65-D88 PolarHBondContact NE-OD1 3.48Å |
| 66 | K | 92.7 | Very high | 92.1 | Very high | 125 Ų | 125 | 64.8 Ų | 64.8 | 54% | 0.543 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 119.1 | 174.2 | -171.7 | 176.6 | 177.6 | 179.5 | 0 | 109.3 | Y79 Y83 | K66-Y79 HydrophobicContact CG-CE1 4.03Å; K66-Y83 HydrophobicContact CB-CD1 4.48Å; K66-Y83 HydrophobicContact CB-CD2 3.99Å; K66-Y83 HydrophobicContact CB-CE2 4.41Å; K66-Y83 HydrophobicContact CB-CG 4.04Å; K66-Y83 HydrophobicContact CD-CD1 4.36Å; K66-Y83 HydrophobicContact CG-CD1 4.44Å; K66-Y83 HydrophobicContact CG-CG 4.2Å |
| 67 | L | 92.1 | Very high | 92.4 | Very high | 28 Ų | 28 | 68.5 Ų | 68.5 | 15% | 0.147 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 149.3 | 174.6 | -59.1 | 178.4 | 0 | 0 | 0 | 110.8 | R65 I69 Y79 L138 I142 | R65-L67 PolarHBondContact O-N 3.24Å; L67-I69 HydrophobicContact CB-CD1 4.04Å; L67-I69 HydrophobicContact CB-CG1 4.42Å; L67-I69 HydrophobicContact CD1-CD1 4.19Å; L67-I69 PolarHBondContact O-N 2.99Å; L67-Y79 WeakPolarHBondContact CB-OH 3.45Å; L67-Y79 PolarHBondContact N-OH 3.33Å; L67-Y79 WeakPolarHBondContact O-CE1 3.34Å; L67-L138 HydrophobicContact CD1-CD1 3.62Å; L67-I142 HydrophobicContact CD1-CD1 4.24Å; L67-I142 HydrophobicContact CD1-CG1 4.43Å |
| 68 | D | 93.2 | Very high | 92.6 | Very high | 148 Ų | 148 | 66.9 Ų | 66.9 | 79% | 0.791 | 34% | 0.339 | S | S | * | . | trans | -96 | 83.5 | 176.9 | -173.2 | 25.8 | 0 | 0 | 0 | 109.5 | F33 | F33-D68 WeakPolarHBondContact CE1-O 3.31Š| ||
| 69 | I | 92.5 | Very high | 92.8 | Very high | 21 Ų | 21 | 67.2 Ų | 67.2 | 11% | 0.108 | 34% | 0.341 | C | S | . | . | trans | -130.9 | 134.3 | -178.8 | -67.8 | 164.5 | 0 | 0 | 0 | 108.1 | F33 L67 F71 L138 E141 | F33-I69 HydrophobicContact CE1-CG1 4.45Å; L67-I69 HydrophobicContact CB-CD1 4.04Å; L67-I69 HydrophobicContact CB-CG1 4.42Å; L67-I69 HydrophobicContact CD1-CD1 4.19Å; L67-I69 PolarHBondContact O-N 2.99Å; I69-F71 HydrophobicContact CB-CE1 4.38Å; I69-F71 HydrophobicContact CB-CE2 3.88Å; I69-F71 HydrophobicContact CB-CZ 3.76Å; I69-F71 HydrophobicContact CG2-CD1 4.17Å; I69-F71 HydrophobicContact CG2-CD2 4.42Å; I69-F71 HydrophobicContact CG2-CE1 3.71Å; I69-F71 HydrophobicContact CG2-CE2 3.98Å; I69-F71 HydrophobicContact CG2-CZ 3.61Å; I69-F71 VanDerWaalsContact O-CD2 3.24Å; I69-F71 WeakPolarHBondContact O-CD2 3.46Å; I69-F71 WeakPolarHBondContact O-CE2 3.24Å; I69-L138 HydrophobicContact CD1-CD1 3.31Å; I69-E141 HydrophobicContact CD1-CB 3.93Å; I69-E141 HydrophobicContact CD1-CG 4.47Å; I69-E141 HydrophobicContact CG1-CB 4.47Å; I69-E141 HydrophobicContact CG2-CG 3.89Å | ||
| 70 | D | 94.3 | Very high | 92.8 | Very high | 114 Ų | 114 | 69 Ų | 69 | 61% | 0.61 | 36% | 0.356 | S | S | * | . | trans | -85.2 | 114.8 | 174.3 | -173.6 | 19.8 | 0 | 0 | 0 | 111.3 | G72 N76 | D70-G72 PolarHBondContact OD1-N 2.82Å; D70-N76 PolarHBondContact OD1-ND2 2.89Å | ||
| 71 | F | 94.4 | Very high | 92.9 | Very high | 32 Ų | 32 | 71.1 Ų | 71.1 | 14% | 0.14 | 38% | 0.377 | C | S | . | . | trans | -102.4 | 0.7 | 175 | -54.5 | -79.6 | 0 | 0 | 0 | 112.5 | I69 N76 Y79 V134 R137 L138 | I69-F71 HydrophobicContact CB-CE1 4.38Å; I69-F71 HydrophobicContact CB-CE2 3.88Å; I69-F71 HydrophobicContact CB-CZ 3.76Å; I69-F71 HydrophobicContact CG2-CD1 4.17Å; I69-F71 HydrophobicContact CG2-CD2 4.42Å; I69-F71 HydrophobicContact CG2-CE1 3.71Å; I69-F71 HydrophobicContact CG2-CE2 3.98Å; I69-F71 HydrophobicContact CG2-CZ 3.61Å; I69-F71 VanDerWaalsContact O-CD2 3.24Å; I69-F71 WeakPolarHBondContact O-CD2 3.46Å; I69-F71 WeakPolarHBondContact O-CE2 3.24Å; F71-N76 WeakPolarHBondContact CA-OD1 3.48Å; F71-N76 WeakPolarHBondContact CB-OD1 3.39Å; F71-N76 PolarHBondContact N-OD1 2.72Å; F71-Y79 HydrophobicContact CD2-CD1 4.27Å; F71-Y79 HydrophobicContact CD2-CG 4.07Å; F71-Y79 AromaticContact CE2-CD1 3.56Å; F71-Y79 HydrophobicContact CE2-CD1 3.56Å; F71-Y79 AromaticContact CE2-CD2 3.9Å; F71-Y79 HydrophobicContact CE2-CD2 3.9Å; F71-Y79 HydrophobicContact CE2-CE1 4.03Å; F71-Y79 HydrophobicContact CE2-CE2 4.33Å; F71-Y79 AromaticContact CE2-CG 3.49Å; F71-Y79 HydrophobicContact CE2-CG 3.49Å; F71-Y79 VanDerWaalsContact CE2-CG 3.49Å; F71-Y79 HydrophobicContact CZ-CD1 4.43Å; F71-Y79 HydrophobicContact CZ-CD2 4.12Å; F71-Y79 HydrophobicContact CZ-CE2 4.32Å; F71-Y79 HydrophobicContact CZ-CG 4.18Å; F71-V134 HydrophobicContact CD1-CB 4.48Å; F71-V134 HydrophobicContact CD1-CG1 3.98Å; F71-V134 HydrophobicContact CD2-CG1 4.49Å; F71-V134 HydrophobicContact CE1-CG1 3.89Å; F71-V134 WeakPolarHBondContact CE1-O 3.49Å; F71-V134 HydrophobicContact CE2-CG1 4.41Å; F71-V134 HydrophobicContact CG-CG1 4.29Å; F71-V134 HydrophobicContact CZ-CG1 4.11Å; F71-R137 HydrophobicContact CD1-CB 3.85Å; F71-R137 HydrophobicContact CD1-CG 3.64Å; F71-R137 HydrophobicContact CE1-CB 4.09Å; F71-R137 HydrophobicContact CE1-CG 4Å; F71-L138 HydrophobicContact CE1-CB 3.95Å; F71-L138 HydrophobicContact CE1-CD1 4.47Å; F71-L138 HydrophobicContact CZ-CB 4.19Å; F71-L138 HydrophobicContact CZ-CD1 3.95Å | ||
| 72 | G | 94.2 | Very high | 93 | Very high | 31 Ų | 31 | 69.7 Ų | 69.7 | 32% | 0.32 | 37% | 0.37 | S | S | . | . | trans | 84.3 | 170.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D70 E74 G75 N76 | D70-G72 PolarHBondContact OD1-N 2.82Å; G72-E74 PolarHBondContact O-N 3.12Å; G72-G75 PolarHBondContact O-N 3.09Å; G72-N76 VanDerWaalsContact O-CB 3.27Å; G72-N76 WeakPolarHBondContact O-CB 3.5Å; G72-N76 PolarHBondContact O-N 3.43Å; G72-N76 PolarHBondContact O-ND2 3.47Å; G72-N76 PolarHBondContact O-OD1 2.91Å | ||
| 73 | A | 93.6 | Very high | 93.2 | Very high | 79 Ų | 79 | 69.2 Ų | 69.2 | 65% | 0.653 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -57 | -40.2 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R77 | A73-R77 WeakPolarHBondContact O-CG 3.29Å; A73-R77 PolarHBondContact O-NE 3.29Å |
| 74 | E | 93.5 | Very high | 93.4 | Very high | 105 Ų | 105 | 70.7 Ų | 70.7 | 49% | 0.491 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -75.3 | -47.5 | 177.4 | -170 | -172.8 | -168.9 | 0 | 0 | 111.6 | G72 N76 R77 Y78 L130 R133 | G72-E74 PolarHBondContact O-N 3.12Å; E74-N76 VanDerWaalsContact C-N 3.33Å; E74-N76 PolarHBondContact O-N 2.93Å; E74-R77 PolarHBondContact O-N 2.92Å; E74-Y78 PolarHBondContact O-N 2.87Å; E74-L130 HydrophobicContact CG-CD1 4.01Å; E74-L130 HydrophobicContact CG-CD2 3.87Å; E74-R133 IonicContact OE2-NH1 3.84Å |
| 75 | G | 93.7 | Very high | 93.5 | Very high | 4 Ų | 4 | 71.8 Ų | 71.8 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G72 Y78 Y79 | G72-G75 PolarHBondContact O-N 3.09Å; G75-Y78 PolarHBondContact O-N 3.46Å; G75-Y79 WeakPolarHBondContact O-CB 3.24Å; G75-Y79 PolarHBondContact O-N 2.94Å |
| 76 | N | 95.5 | Very high | 93.6 | Very high | 56 Ų | 56 | 67.6 Ų | 67.6 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 178.1 | -69.4 | -12.2 | 0 | 0 | 0 | 111.6 | D70 F71 G72 E74 A80 | D70-N76 PolarHBondContact OD1-ND2 2.89Å; F71-N76 WeakPolarHBondContact CA-OD1 3.48Å; F71-N76 WeakPolarHBondContact CB-OD1 3.39Å; F71-N76 PolarHBondContact N-OD1 2.72Å; G72-N76 VanDerWaalsContact O-CB 3.27Å; G72-N76 WeakPolarHBondContact O-CB 3.5Å; G72-N76 PolarHBondContact O-N 3.43Å; G72-N76 PolarHBondContact O-ND2 3.47Å; G72-N76 PolarHBondContact O-OD1 2.91Å; E74-N76 VanDerWaalsContact C-N 3.33Å; E74-N76 PolarHBondContact O-N 2.93Å; N76-A80 WeakPolarHBondContact O-CB 3.39Å; N76-A80 PolarHBondContact O-N 2.92Å |
| 77 | R | 94.7 | Very high | 93.7 | Very high | 183 Ų | 183 | 61.7 Ų | 61.7 | 69% | 0.691 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.2 | -44.9 | 175.5 | -73 | -174.9 | -68 | 166.2 | 1.6 | 111.2 | A73 E74 A80 A81 | A73-R77 WeakPolarHBondContact O-CG 3.29Å; A73-R77 PolarHBondContact O-NE 3.29Å; E74-R77 PolarHBondContact O-N 2.92Å; R77-A80 PolarHBondContact O-N 3.43Å; R77-A81 PolarHBondContact O-N 3.22Å |
| 78 | Y | 94.5 | Very high | 93.6 | Very high | 52 Ų | 52 | 60.4 Ų | 60.4 | 20% | 0.204 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.2 | -47.6 | 178.4 | -176.2 | -97.6 | 0 | 0 | 0 | 112.3 | E74 G75 A81 N82 F86 L130 H131 V134 | E74-Y78 PolarHBondContact O-N 2.87Å; G75-Y78 PolarHBondContact O-N 3.46Å; Y78-A81 PolarHBondContact O-N 2.93Å; Y78-N82 HydrophobicContact CE1-CB 4.44Å; Y78-N82 WeakPolarHBondContact O-CB 3.34Å; Y78-N82 PolarHBondContact O-N 2.65Å; Y78-N82 PolarHBondContact O-ND2 2.74Å; Y78-F86 HydrophobicContact CD1-CZ 4.32Å; Y78-F86 HydrophobicContact CE1-CE2 4.24Å; Y78-F86 AromaticContact CE1-CZ 3.9Å; Y78-F86 HydrophobicContact CE1-CZ 3.9Å; Y78-L130 HydrophobicContact CD1-CD2 4.42Å; Y78-L130 HydrophobicContact CD1-CG 4.28Å; Y78-L130 HydrophobicContact CD2-CD2 3.7Å; Y78-L130 HydrophobicContact CD2-CG 4.32Å; Y78-L130 HydrophobicContact CE2-CD2 4.49Å; Y78-L130 HydrophobicContact CG-CD2 3.66Å; Y78-L130 HydrophobicContact CG-CG 3.99Å; Y78-H131 HydrophobicContact CE1-CB 3.94Å; Y78-H131 AromaticContact CE1-ND1 3.81Å; Y78-H131 AromaticContact CZ-ND1 3.99Å; Y78-H131 WeakPolarHBondContact OH-CB 3.47Å; Y78-H131 PolarHBondContact OH-ND1 2.73Å; Y78-V134 HydrophobicContact CD1-CG2 4.16Å |
| 79 | Y | 95.1 | Very high | 93.6 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 3% | 0.027 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 177.8 | -176.8 | -104.7 | 0 | 0 | 0 | 111.4 | K66 L67 F71 G75 A81 N82 Y83 F86 V134 L138 | K66-Y79 HydrophobicContact CG-CE1 4.03Å; L67-Y79 WeakPolarHBondContact CB-OH 3.45Å; L67-Y79 PolarHBondContact N-OH 3.33Å; L67-Y79 WeakPolarHBondContact O-CE1 3.34Å; F71-Y79 HydrophobicContact CD2-CD1 4.27Å; F71-Y79 HydrophobicContact CD2-CG 4.07Å; F71-Y79 AromaticContact CE2-CD1 3.56Å; F71-Y79 HydrophobicContact CE2-CD1 3.56Å; F71-Y79 AromaticContact CE2-CD2 3.9Å; F71-Y79 HydrophobicContact CE2-CD2 3.9Å; F71-Y79 HydrophobicContact CE2-CE1 4.03Å; F71-Y79 HydrophobicContact CE2-CE2 4.33Å; F71-Y79 AromaticContact CE2-CG 3.49Å; F71-Y79 HydrophobicContact CE2-CG 3.49Å; F71-Y79 VanDerWaalsContact CE2-CG 3.49Å; F71-Y79 HydrophobicContact CZ-CD1 4.43Å; F71-Y79 HydrophobicContact CZ-CD2 4.12Å; F71-Y79 HydrophobicContact CZ-CE2 4.32Å; F71-Y79 HydrophobicContact CZ-CG 4.18Å; G75-Y79 WeakPolarHBondContact O-CB 3.24Å; G75-Y79 PolarHBondContact O-N 2.94Å; Y79-A81 PolarHBondContact O-N 3.48Å; Y79-N82 CarbonylContact O-C 3.59Å; Y79-N82 PolarHBondContact O-N 2.86Å; Y79-N82 VanDerWaalsContact O-N 3.12Å; Y79-Y83 WeakPolarHBondContact O-CA 3.37Å; Y79-Y83 WeakPolarHBondContact O-CB 3.41Å; Y79-Y83 PolarHBondContact O-N 2.74Å; Y79-F86 AromaticContact CD2-CD2 3.66Å; Y79-F86 HydrophobicContact CD2-CD2 3.66Å; Y79-F86 AromaticContact CD2-CE2 3.88Å; Y79-F86 HydrophobicContact CD2-CE2 3.88Å; Y79-F86 HydrophobicContact CD2-CG 4.07Å; Y79-F86 HydrophobicContact CD2-CZ 4.46Å; Y79-F86 HydrophobicContact CE2-CB 3.91Å; Y79-F86 AromaticContact CE2-CD2 3.76Å; Y79-F86 HydrophobicContact CE2-CD2 3.76Å; Y79-F86 HydrophobicContact CE2-CE2 4.43Å; Y79-F86 AromaticContact CE2-CG 3.84Å; Y79-F86 HydrophobicContact CE2-CG 3.84Å; Y79-V134 HydrophobicContact CD2-CG1 3.85Å; Y79-V134 HydrophobicContact CG-CG1 4.36Å; Y79-L138 HydrophobicContact CE2-CD2 4.29Å |
| 80 | A | 94.5 | Very high | 93.7 | Very high | 40 Ų | 40 | 52.7 Ų | 52.7 | 33% | 0.331 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.6 | -31.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N76 R77 Y83 | N76-A80 WeakPolarHBondContact O-CB 3.39Å; N76-A80 PolarHBondContact O-N 2.92Å; R77-A80 PolarHBondContact O-N 3.43Å; A80-Y83 WeakPolarHBondContact O-CD1 3.3Å |
| 81 | A | 94.3 | Very high | 93.6 | Very high | 66 Ų | 66 | 50.1 Ų | 50.1 | 55% | 0.545 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -84.4 | -25.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R77 Y78 Y79 | R77-A81 PolarHBondContact O-N 3.22Å; Y78-A81 PolarHBondContact O-N 2.93Å; Y79-A81 PolarHBondContact O-N 3.48Å |
| 82 | N | 93.7 | Very high | 93.4 | Very high | 34 Ų | 34 | 50.6 Ų | 50.6 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -123.4 | 11.3 | -168.6 | -61.8 | -78.2 | 0 | 0 | 0 | 114.7 | Y78 Y79 W84 Q85 F86 | Y78-N82 HydrophobicContact CE1-CB 4.44Å; Y78-N82 WeakPolarHBondContact O-CB 3.34Å; Y78-N82 PolarHBondContact O-N 2.65Å; Y78-N82 PolarHBondContact O-ND2 2.74Å; Y79-N82 CarbonylContact O-C 3.59Å; Y79-N82 PolarHBondContact O-N 2.86Å; Y79-N82 VanDerWaalsContact O-N 3.12Å; N82-W84 PolarHBondContact O-N 2.98Å; N82-Q85 PolarHBondContact O-N 3.49Å; N82-Q85 PolarHBondContact OD1-NE2 3.35Å; N82-Q85 VanDerWaalsContact OD1-NE2 3.13Å; N82-F86 HydrophobicContact CB-CE2 4.1Å; N82-F86 VanDerWaalsContact O-CD2 3.29Å; N82-F86 WeakPolarHBondContact O-CD2 3.46Å |
| 83 | Y | 93.7 | Very high | 93.1 | Very high | 83 Ų | 83 | 55.8 Ų | 55.8 | 33% | 0.325 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -53.5 | -30.4 | -171.2 | 65.9 | -90.7 | 0 | 0 | 0 | 114.1 | G64 K66 Y79 A80 Q85 F86 | G64-Y83 VanDerWaalsContact O-CE2 3.32Å; G64-Y83 WeakPolarHBondContact O-CE2 3.5Å; K66-Y83 HydrophobicContact CB-CD1 4.48Å; K66-Y83 HydrophobicContact CB-CD2 3.99Å; K66-Y83 HydrophobicContact CB-CE2 4.41Å; K66-Y83 HydrophobicContact CB-CG 4.04Å; K66-Y83 HydrophobicContact CD-CD1 4.36Å; K66-Y83 HydrophobicContact CG-CD1 4.44Å; K66-Y83 HydrophobicContact CG-CG 4.2Å; Y79-Y83 WeakPolarHBondContact O-CA 3.37Å; Y79-Y83 WeakPolarHBondContact O-CB 3.41Å; Y79-Y83 PolarHBondContact O-N 2.74Å; A80-Y83 WeakPolarHBondContact O-CD1 3.3Å; Y83-Q85 PolarHBondContact O-N 2.87Å; Y83-F86 PolarHBondContact O-N 2.96Å; Y83-F86 VanDerWaalsContact O-N 3.14Å |
| 84 | W | 92 | Very high | 92.6 | Very high | 154 Ų | 154 | 52.6 Ų | 52.6 | 58% | 0.583 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -65.5 | -17.6 | 179.7 | 57.2 | -92 | 0 | 0 | 0 | 114.2 | N82 | N82-W84 PolarHBondContact O-N 2.98Š|
| 85 | Q | 90.8 | Very high | 92.1 | Very high | 55 Ų | 55 | 50 Ų | 50 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -82.9 | -21.4 | 175.6 | -65 | 177.7 | 60.7 | 0 | 0 | 112.6 | K62 N82 Y83 | K62-Q85 PolarHBondContact NZ-O 3.39Å; N82-Q85 PolarHBondContact O-N 3.49Å; N82-Q85 PolarHBondContact OD1-NE2 3.35Å; N82-Q85 VanDerWaalsContact OD1-NE2 3.13Å; Y83-Q85 PolarHBondContact O-N 2.87Å |
| 86 | F | 92.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -90.9 | 154.4 | -172 | -69.5 | -84.2 | 0 | 0 | 0 | 112.7 | Y78 Y79 N82 Y83 H131 V134 L135 L138 | Y78-F86 HydrophobicContact CD1-CZ 4.32Å; Y78-F86 HydrophobicContact CE1-CE2 4.24Å; Y78-F86 AromaticContact CE1-CZ 3.9Å; Y78-F86 HydrophobicContact CE1-CZ 3.9Å; Y79-F86 AromaticContact CD2-CD2 3.66Å; Y79-F86 HydrophobicContact CD2-CD2 3.66Å; Y79-F86 AromaticContact CD2-CE2 3.88Å; Y79-F86 HydrophobicContact CD2-CE2 3.88Å; Y79-F86 HydrophobicContact CD2-CG 4.07Å; Y79-F86 HydrophobicContact CD2-CZ 4.46Å; Y79-F86 HydrophobicContact CE2-CB 3.91Å; Y79-F86 AromaticContact CE2-CD2 3.76Å; Y79-F86 HydrophobicContact CE2-CD2 3.76Å; Y79-F86 HydrophobicContact CE2-CE2 4.43Å; Y79-F86 AromaticContact CE2-CG 3.84Å; Y79-F86 HydrophobicContact CE2-CG 3.84Å; N82-F86 HydrophobicContact CB-CE2 4.1Å; N82-F86 VanDerWaalsContact O-CD2 3.29Å; N82-F86 WeakPolarHBondContact O-CD2 3.46Å; Y83-F86 PolarHBondContact O-N 2.96Å; Y83-F86 VanDerWaalsContact O-N 3.14Å; F86-H131 AromaticContact CD1-NE2 3.98Å; F86-H131 AromaticContact CE1-CD2 3.91Å; F86-H131 AromaticContact CE1-CE1 3.58Å; F86-H131 AromaticContact CE1-NE2 3.34Å; F86-H131 VanDerWaalsContact CE1-NE2 3.34Å; F86-H131 WeakPolarHBondContact CE1-NE2 3.5Å; F86-H131 AromaticContact CE2-CE1 3.91Å; F86-H131 AromaticContact CZ-CE1 3.39Å; F86-H131 WeakPolarHBondContact CZ-CE1 3.31Å; F86-H131 AromaticContact CZ-ND1 3.61Å; F86-H131 AromaticContact CZ-NE2 3.65Å; F86-V134 HydrophobicContact CD1-CG1 4.37Å; F86-V134 HydrophobicContact CE1-CB 4.06Å; F86-V134 HydrophobicContact CE1-CG1 3.62Å; F86-V134 HydrophobicContact CE2-CG1 4.26Å; F86-V134 HydrophobicContact CZ-CB 4Å; F86-V134 HydrophobicContact CZ-CG1 3.55Å; F86-L135 HydrophobicContact CD1-CB 4.28Å; F86-L135 HydrophobicContact CD1-CD1 3.93Å; F86-L135 HydrophobicContact CE1-CB 3.91Å; F86-L135 HydrophobicContact CE1-CD1 4.4Å; F86-L138 HydrophobicContact CB-CD2 3.59Å; F86-L138 HydrophobicContact CD1-CD2 3.83Å; F86-L138 HydrophobicContact CG-CD2 4.03Å |
| 87 | P | 93.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.013 | 29% | 0.289 | C | S | . | . | trans | -69.8 | 136.9 | 173.2 | 28.7 | -35.4 | 0 | 0 | 0 | 112.6 | F60 L135 L138 | F60-P87 HydrophobicContact CB-CB 3.94Å; F60-P87 HydrophobicContact CD1-CB 3.68Å; F60-P87 HydrophobicContact CD1-CG 3.74Å; F60-P87 HydrophobicContact CE1-CB 4.32Å; F60-P87 HydrophobicContact CE1-CG 3.86Å; F60-P87 HydrophobicContact CG-CB 3.84Å; F60-P87 HydrophobicContact CG-CG 4.14Å; F60-P87 HydrophobicContact CZ-CG 4.37Å; P87-L135 HydrophobicContact CG-CD1 4.15Å; P87-L138 HydrophobicContact CG-CD2 4.08Å | ||
| 88 | D | 91.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -78.9 | -23.3 | 168.3 | -67.7 | -96.2 | 0 | 0 | 0 | 113.1 | W35 I61 Q63 G64 R65 | W35-D88 WeakPolarHBondContact CH2-O 3.34Å; W35-D88 WeakPolarHBondContact CZ2-O 3.28Å; I61-D88 WeakPolarHBondContact O-CB 3.26Å; I61-D88 PolarHBondContact O-N 3.14Å; Q63-D88 VanDerWaalsContact CA-OD2 3.28Å; Q63-D88 WeakPolarHBondContact CA-OD2 3.28Å; Q63-D88 HydrophobicContact CB-CB 4.35Å; Q63-D88 PolarHBondContact N-OD2 2.67Å; G64-D88 PolarHBondContact N-OD2 2.89Å; R65-D88 WeakPolarHBondContact CA-OD1 3.45Å; R65-D88 WeakPolarHBondContact CB-OD1 3.33Å; R65-D88 WeakPolarHBondContact CG-OD1 3.31Å; R65-D88 PolarHBondContact N-OD1 2.05Å; R65-D88 PolarHBondContact N-OD2 3.27Å; R65-D88 IonicContact NE-OD1 3.36Å; R65-D88 PolarHBondContact NE-OD1 3.48Å |
| 89 | G | 92.9 | Very high | 88.2 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 4% | 0.041 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 168.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I61 | I61-G89 WeakPolarHBondContact CB-O 3.07Å; I61-G89 PolarHBondContact N-O 2.88Å; I61-G89 PolarHBondContact O-N 2.98Å |
| 90 | I | 93.7 | Very high | 87.6 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 126.8 | 177.8 | -63.6 | 165 | 0 | 0 | 0 | 107.4 | A59 Y92 T113 I139 I142 K146 | A59-I90 WeakPolarHBondContact O-CA 3.32Å; I90-Y92 PolarHBondContact O-N 3.48Å; I90-T113 HydrophobicContact CD1-CG2 3.95Å; I90-T113 HydrophobicContact CG1-CG2 4.34Å; I90-T113 WeakPolarHBondContact CG2-OG1 3.15Å; I90-I139 HydrophobicContact CD1-CB 4.28Å; I90-I139 HydrophobicContact CD1-CG1 4.2Å; I90-I139 HydrophobicContact CD1-CG2 3.86Å; I90-I142 HydrophobicContact CB-CG2 4.03Å; I90-I142 HydrophobicContact CD1-CB 4.05Å; I90-I142 HydrophobicContact CD1-CG2 3.76Å; I90-I142 HydrophobicContact CG1-CG2 3.83Å; I90-K146 WeakPolarHBondContact O-CE 3.38Å; I90-K146 PolarHBondContact O-NZ 3.34Å |
| 91 | Y | 91.9 | Very high | 87.3 | Confident | 61 Ų | 61 | 57.3 Ų | 57.3 | 24% | 0.239 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 110.2 | 169.8 | -177 | -99.2 | 0 | 0 | 0 | 108.5 | N55 R56 G58 A59 E93 | N55-Y91 VanDerWaalsContact C-CD1 3.48Å; N55-Y91 HydrophobicContact CB-CE1 4.35Å; N55-Y91 VanDerWaalsContact O-CD1 3.31Å; N55-Y91 WeakPolarHBondContact O-CD1 3.44Å; N55-Y91 WeakPolarHBondContact O-CE1 3.2Å; R56-Y91 WeakPolarHBondContact O-CD1 3.47Å; G58-Y91 PolarHBondContact N-O 2.89Å; A59-Y91 PolarHBondContact O-N 3.45Å; Y91-E93 HydrophobicContact CE2-CG 4.45Å; Y91-E93 PolarHBondContact OH-OE1 3.43Å |
| 92 | Y | 91.4 | Very high | 87 | Confident | 42 Ų | 42 | 59.1 Ų | 59.1 | 17% | 0.165 | 31% | 0.305 | C | S | . | . | trans | -158.2 | 121.6 | -179.8 | -172.7 | -104.9 | 0 | 0 | 0 | 109.2 | P57 I90 L105 S108 C109 A112 K146 | P57-Y92 HydrophobicContact CB-CD2 4.28Å; I90-Y92 PolarHBondContact O-N 3.48Å; Y92-L105 HydrophobicContact CE1-CD1 4.2Å; Y92-S108 WeakPolarHBondContact OH-CB 3.01Å; Y92-C109 HydrophobicContact CD1-CB 3.52Å; Y92-C109 HydrophobicContact CE1-CB 3.67Å; Y92-C109 HydrophobicContact CG-CB 4.02Å; Y92-A112 HydrophobicContact CD2-CB 3.77Å; Y92-A112 HydrophobicContact CE2-CB 3.53Å; Y92-K146 PolarHBondContact O-NZ 3.4Å | ||
| 93 | E | 86.5 | Confident | 86.9 | Confident | 140 Ų | 140 | 63.8 Ų | 63.8 | 65% | 0.654 | 33% | 0.326 | S | S | * | . | trans | -113.7 | 79.5 | 179.3 | -67.4 | -177.6 | -170.8 | 0 | 0 | 109 | Y91 | Y91-E93 HydrophobicContact CE2-CG 4.45Å; Y91-E93 PolarHBondContact OH-OE1 3.43Å | ||
| 94 | G | 83.6 | Confident | 86.7 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 12% | 0.124 | 33% | 0.329 | C | S | . | . | trans | -96.8 | 8.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | V100 L105 | G94-V100 WeakPolarHBondContact O-CG2 3.18Å; G94-L105 VanDerWaalsContact C-CD1 3.5Å; G94-L105 WeakPolarHBondContact O-CD1 3.32Å | ||
| 95 | C | 82.9 | Confident | 86.8 | Confident | 51 Ų | 51 | 56.2 Ų | 56.2 | 35% | 0.345 | 30% | 0.301 | S | S | . | . | trans | -98.4 | 12.1 | -172.6 | -65.2 | 0 | 0 | 0 | 0 | 114.2 | C148 | C95-C148 VanDerWaalsContact CA-SG 3.5Å; C95-C148 HydrophobicContact CB-CB 3.65Å; C95-C148 WeakPolarHBondContact CB-SG 2.95Å; C95-C148 WeakPolarHBondContact SG-CA 3.34Å; C95-C148 WeakPolarHBondContact SG-CB 3.25Å; C95-C148 CovalentContact SG-SG 2.04Å; C95-C148 PolarHBondContact SG-SG 2.96Å | ||
| 96 | S | 76.2 | Confident | 86.9 | Confident | 108 Ų | 108 | 54.6 Ų | 54.6 | 76% | 0.755 | 30% | 0.295 | S | S | * | . | trans | -74.7 | -27.6 | -178.8 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 97 | E | 72.8 | Confident | 86.9 | Confident | 121 Ų | 121 | 58.2 Ų | 58.2 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -88.8 | 128 | 178.1 | -62.4 | 174.2 | -172.3 | 0 | 0 | 110.6 | N99 V100 | E97-N99 PolarHBondContact O-N 3.19Å; E97-V100 HydrophobicContact CB-CG2 3.65Å; E97-V100 WeakPolarHBondContact O-CG2 3.33Å; E97-V100 PolarHBondContact O-N 3Å |
| 98 | A | 68 | Low | 86.9 | Confident | 73 Ų | 73 | 60.1 Ų | 60.1 | 60% | 0.603 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -4.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R154 | A98-R154 PolarHBondContact O-NH2 2.63Š|
| 99 | N | 79.1 | Confident | 87 | Confident | 120 Ų | 120 | 60 Ų | 60 | 64% | 0.642 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.1 | 18.1 | -170.5 | -70.9 | -43.2 | 0 | 0 | 0 | 114.7 | E97 T101 R154 | E97-N99 PolarHBondContact O-N 3.19Å; N99-T101 PolarHBondContact O-N 3.43Å; N99-R154 PolarHBondContact OD1-NH2 2.98Å |
| 100 | V | 82.9 | Confident | 87.1 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.03 | 33% | 0.333 | C | S | . | . | trans | -67.3 | 124.8 | 174.9 | -175.1 | 0 | 0 | 0 | 0 | 110.1 | G94 E97 M104 L105 F150 W151 | G94-V100 WeakPolarHBondContact O-CG2 3.18Å; E97-V100 HydrophobicContact CB-CG2 3.65Å; E97-V100 WeakPolarHBondContact O-CG2 3.33Å; E97-V100 PolarHBondContact O-N 3Å; V100-M104 HydrophobicContact CB-CE 4.21Å; V100-M104 HydrophobicContact CG1-CB 4.09Å; V100-M104 HydrophobicContact CG1-CE 4.02Å; V100-M104 HydrophobicContact CG1-CG 4.18Å; V100-M104 HydrophobicContact CG2-CE 3.79Å; V100-L105 HydrophobicContact CG1-CB 3.8Å; V100-L105 HydrophobicContact CG1-CD1 4.19Å; V100-F150 HydrophobicContact CB-CZ 4.41Å; V100-W151 WeakPolarHBondContact O-CZ2 3.38Å; V100-W151 PolarHBondContact O-NE1 3.03Å | ||
| 101 | T | 87.9 | Confident | 87.1 | Confident | 68 Ų | 68 | 64.8 Ų | 64.8 | 42% | 0.417 | 36% | 0.355 | S | S | . | . | trans | -79.1 | 162.4 | 170.7 | 64.7 | 0 | 0 | 0 | 0 | 110.8 | N99 E103 M104 L105 W151 | N99-T101 PolarHBondContact O-N 3.43Å; T101-E103 VanDerWaalsContact C-N 3.26Å; T101-E103 PolarHBondContact O-N 3.44Å; T101-M104 PolarHBondContact O-N 3.31Å; T101-M104 VanDerWaalsContact OG1-CB 3.25Å; T101-M104 WeakPolarHBondContact OG1-CB 3.45Å; T101-M104 PolarHBondContact OG1-N 3.31Å; T101-L105 PolarHBondContact O-N 2.73Å; T101-W151 VanDerWaalsContact C-CZ2 3.47Å | ||
| 102 | K | 89.2 | Confident | 87.3 | Confident | 103 Ų | 103 | 62.9 Ų | 62.9 | 45% | 0.448 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 179.4 | -174.9 | 176 | -179.6 | -178.8 | 0 | 112.2 | M104 L105 V106 W151 | K102-M104 VanDerWaalsContact C-N 3.32Å; K102-M104 PolarHBondContact O-N 3.21Å; K102-L105 PolarHBondContact O-N 3.02Å; K102-V106 HydrophobicContact CG-CG2 4.46Å; K102-V106 VanDerWaalsContact O-CG2 3.25Å; K102-V106 WeakPolarHBondContact O-CG2 3.46Å; K102-V106 PolarHBondContact O-N 2.92Å; K102-W151 VanDerWaalsContact CA-CZ2 3.45Å; K102-W151 HydrophobicContact CB-CE3 4.46Å; K102-W151 HydrophobicContact CB-CH2 3.59Å; K102-W151 HydrophobicContact CB-CZ2 4.05Å; K102-W151 HydrophobicContact CB-CZ3 3.78Å; K102-W151 HydrophobicContact CD-CZ3 4.24Å; K102-W151 HydrophobicContact CG-CH2 3.81Å; K102-W151 HydrophobicContact CG-CZ3 3.75Å |
| 103 | E | 90.6 | Very high | 87.4 | Confident | 132 Ų | 132 | 60.9 Ų | 60.9 | 62% | 0.617 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.3 | -40.7 | 178.7 | -59.8 | 69 | -148.1 | 0 | 0 | 110.7 | T101 T107 | T101-E103 VanDerWaalsContact C-N 3.26Å; T101-E103 PolarHBondContact O-N 3.44Å; E103-T107 VanDerWaalsContact O-CB 3.31Å; E103-T107 WeakPolarHBondContact O-CB 3.3Å; E103-T107 PolarHBondContact O-N 3.43Å; E103-T107 PolarHBondContact O-OG1 3.41Å |
| 104 | M | 91.1 | Very high | 87.7 | Confident | 77 Ų | 77 | 58.8 Ų | 58.8 | 38% | 0.379 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.7 | -44.4 | 176.6 | -174.5 | 174.3 | 128.6 | 0 | 0 | 111.4 | V100 T101 K102 V106 T107 S108 | V100-M104 HydrophobicContact CB-CE 4.21Å; V100-M104 HydrophobicContact CG1-CB 4.09Å; V100-M104 HydrophobicContact CG1-CE 4.02Å; V100-M104 HydrophobicContact CG1-CG 4.18Å; V100-M104 HydrophobicContact CG2-CE 3.79Å; T101-M104 PolarHBondContact O-N 3.31Å; T101-M104 VanDerWaalsContact OG1-CB 3.25Å; T101-M104 WeakPolarHBondContact OG1-CB 3.45Å; T101-M104 PolarHBondContact OG1-N 3.31Å; K102-M104 VanDerWaalsContact C-N 3.32Å; K102-M104 PolarHBondContact O-N 3.21Å; M104-V106 VanDerWaalsContact C-N 3.34Å; M104-V106 PolarHBondContact O-N 3Å; M104-T107 PolarHBondContact O-N 3.32Å; M104-S108 VanDerWaalsContact O-CB 3.29Å; M104-S108 WeakPolarHBondContact O-CB 3.29Å; M104-S108 PolarHBondContact O-N 3.21Å; M104-S108 PolarHBondContact O-OG 2.89Å |
| 105 | L | 92.3 | Very high | 88.1 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.5 | -47.8 | 176.3 | -172.7 | 80.1 | 0 | 0 | 0 | 111.2 | Y92 G94 V100 T101 K102 C109 K146 W151 | Y92-L105 HydrophobicContact CE1-CD1 4.2Å; G94-L105 VanDerWaalsContact C-CD1 3.5Å; G94-L105 WeakPolarHBondContact O-CD1 3.32Å; V100-L105 HydrophobicContact CG1-CB 3.8Å; V100-L105 HydrophobicContact CG1-CD1 4.19Å; T101-L105 PolarHBondContact O-N 2.73Å; K102-L105 PolarHBondContact O-N 3.02Å; L105-C109 WeakPolarHBondContact O-CB 3.43Å; L105-C109 PolarHBondContact O-N 3Å; L105-K146 HydrophobicContact CD2-CB 3.75Å; L105-W151 HydrophobicContact CB-CH2 3.92Å; L105-W151 HydrophobicContact CB-CZ2 4.2Å; L105-W151 HydrophobicContact CD2-CH2 3.58Å; L105-W151 HydrophobicContact CD2-CZ2 4.36Å; L105-W151 HydrophobicContact CD2-CZ3 4.3Å; L105-W151 HydrophobicContact CG-CH2 4.34Å |
| 106 | V | 93.6 | Very high | 88.5 | Confident | 21 Ų | 21 | 59.6 Ų | 59.6 | 13% | 0.127 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.1 | -46.8 | -178.1 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | K102 M104 S108 C109 V110 C143 | K102-V106 HydrophobicContact CG-CG2 4.46Å; K102-V106 VanDerWaalsContact O-CG2 3.25Å; K102-V106 WeakPolarHBondContact O-CG2 3.46Å; K102-V106 PolarHBondContact O-N 2.92Å; M104-V106 VanDerWaalsContact C-N 3.34Å; M104-V106 PolarHBondContact O-N 3Å; V106-S108 PolarHBondContact O-N 3.49Å; V106-C109 PolarHBondContact O-N 3.14Å; V106-V110 HydrophobicContact CG1-CG2 4.49Å; V106-V110 VanDerWaalsContact O-CG2 3.28Å; V106-V110 WeakPolarHBondContact O-CG2 3.35Å; V106-V110 PolarHBondContact O-N 3.21Å; V106-C143 HydrophobicContact CG1-CB 4.19Å |
| 107 | T | 93.8 | Very high | 89.2 | Confident | 77 Ų | 77 | 54.8 Ų | 54.8 | 47% | 0.472 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.6 | -48.6 | 178.1 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | E103 M104 C109 V110 N111 | E103-T107 VanDerWaalsContact O-CB 3.31Å; E103-T107 WeakPolarHBondContact O-CB 3.3Å; E103-T107 PolarHBondContact O-N 3.43Å; E103-T107 PolarHBondContact O-OG1 3.41Å; M104-T107 PolarHBondContact O-N 3.32Å; T107-C109 PolarHBondContact O-N 2.89Å; T107-V110 PolarHBondContact O-N 3.38Å; T107-N111 WeakPolarHBondContact O-CB 3.29Å; T107-N111 VanDerWaalsContact O-CG 3.25Å; T107-N111 PolarHBondContact O-N 2.86Å |
| 108 | S | 92.8 | Very high | 89.8 | Confident | 42 Ų | 42 | 55 Ų | 55 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.3 | -36 | -179.6 | -59.7 | 0 | 0 | 0 | 0 | 112.3 | Y92 M104 V106 N111 A112 | Y92-S108 WeakPolarHBondContact OH-CB 3.01Å; M104-S108 VanDerWaalsContact O-CB 3.29Å; M104-S108 WeakPolarHBondContact O-CB 3.29Å; M104-S108 PolarHBondContact O-N 3.21Å; M104-S108 PolarHBondContact O-OG 2.89Å; V106-S108 PolarHBondContact O-N 3.49Å; S108-N111 PolarHBondContact O-N 2.86Å; S108-A112 VanDerWaalsContact O-CB 3.28Å; S108-A112 WeakPolarHBondContact O-CB 3.4Å; S108-A112 PolarHBondContact O-N 3.35Å |
| 109 | C | 94.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61 | -47.6 | 172.4 | 176.3 | 0 | 0 | 0 | 0 | 111.7 | Y92 L105 V106 T107 A112 T113 C143 | Y92-C109 HydrophobicContact CD1-CB 3.52Å; Y92-C109 HydrophobicContact CE1-CB 3.67Å; Y92-C109 HydrophobicContact CG-CB 4.02Å; L105-C109 WeakPolarHBondContact O-CB 3.43Å; L105-C109 PolarHBondContact O-N 3Å; V106-C109 PolarHBondContact O-N 3.14Å; T107-C109 PolarHBondContact O-N 2.89Å; C109-A112 PolarHBondContact O-N 3.32Å; C109-T113 WeakPolarHBondContact O-CB 3.18Å; C109-T113 PolarHBondContact O-N 2.79Å; C109-T113 PolarHBondContact O-OG1 3.28Å; C109-C143 VanDerWaalsContact C-SG 3.58Å; C109-C143 HydrophobicContact CB-CB 3.69Å; C109-C143 WeakPolarHBondContact CB-SG 3.33Å; C109-C143 WeakPolarHBondContact SG-CB 3.5Å; C109-C143 CovalentContact SG-SG 2.05Å; C109-C143 PolarHBondContact SG-SG 2.98Å |
| 110 | V | 94.6 | Very high | 90.8 | Very high | 15 Ų | 15 | 52 Ų | 52 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 178.1 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | V106 T107 T113 Q114 W136 I139 C143 | V106-V110 HydrophobicContact CG1-CG2 4.49Å; V106-V110 VanDerWaalsContact O-CG2 3.28Å; V106-V110 WeakPolarHBondContact O-CG2 3.35Å; V106-V110 PolarHBondContact O-N 3.21Å; T107-V110 PolarHBondContact O-N 3.38Å; V110-T113 WeakPolarHBondContact O-CB 3.25Å; V110-T113 PolarHBondContact O-N 3.36Å; V110-Q114 PolarHBondContact O-N 3.4Å; V110-W136 HydrophobicContact CG1-CH2 3.25Å; V110-W136 HydrophobicContact CG1-CZ2 3.8Å; V110-W136 HydrophobicContact CG1-CZ3 3.8Å; V110-I139 HydrophobicContact CG2-CG2 4.21Å; V110-C143 HydrophobicContact CG2-CB 4.21Å |
| 111 | N | 94.2 | Very high | 90.8 | Very high | 90 Ų | 90 | 53.3 Ų | 53.3 | 48% | 0.481 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 179.3 | -71.1 | -12.2 | 0 | 0 | 0 | 112.1 | T107 S108 T113 Q114 A115 | T107-N111 WeakPolarHBondContact O-CB 3.29Å; T107-N111 VanDerWaalsContact O-CG 3.25Å; T107-N111 PolarHBondContact O-N 2.86Å; S108-N111 PolarHBondContact O-N 2.86Å; N111-T113 VanDerWaalsContact C-N 3.29Å; N111-T113 PolarHBondContact O-N 3.15Å; N111-Q114 PolarHBondContact O-N 3.46Å; N111-A115 WeakPolarHBondContact O-CB 3.43Å; N111-A115 PolarHBondContact O-N 2.74Å |
| 112 | A | 94.3 | Very high | 90.4 | Very high | 22 Ų | 22 | 53.9 Ų | 53.9 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y92 S108 C109 A115 A116 | Y92-A112 HydrophobicContact CD2-CB 3.77Å; Y92-A112 HydrophobicContact CE2-CB 3.53Å; S108-A112 VanDerWaalsContact O-CB 3.28Å; S108-A112 WeakPolarHBondContact O-CB 3.4Å; S108-A112 PolarHBondContact O-N 3.35Å; C109-A112 PolarHBondContact O-N 3.32Å; A112-A115 PolarHBondContact O-N 2.66Å; A112-A116 VanDerWaalsContact O-CB 3.3Å; A112-A116 WeakPolarHBondContact O-CB 3.08Å; A112-A116 PolarHBondContact O-N 2.77Å |
| 113 | T | 94.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64 | -42.9 | 177.9 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | F60 I90 C109 V110 N111 N117 I139 | F60-T113 HydrophobicContact CD1-CG2 4.11Å; F60-T113 HydrophobicContact CE1-CG2 3.42Å; F60-T113 VanDerWaalsContact CE1-CG2 3.42Å; F60-T113 HydrophobicContact CZ-CG2 4.25Å; I90-T113 HydrophobicContact CD1-CG2 3.95Å; I90-T113 HydrophobicContact CG1-CG2 4.34Å; I90-T113 WeakPolarHBondContact CG2-OG1 3.15Å; C109-T113 WeakPolarHBondContact O-CB 3.18Å; C109-T113 PolarHBondContact O-N 2.79Å; C109-T113 PolarHBondContact O-OG1 3.28Å; V110-T113 WeakPolarHBondContact O-CB 3.25Å; V110-T113 PolarHBondContact O-N 3.36Å; N111-T113 VanDerWaalsContact C-N 3.29Å; N111-T113 PolarHBondContact O-N 3.15Å; T113-N117 PolarHBondContact O-N 2.92Å; T113-N117 VanDerWaalsContact O-N 3.12Å; T113-N117 PolarHBondContact O-ND2 3.05Å; T113-I139 HydrophobicContact CG2-CD1 3.96Å; T113-I139 HydrophobicContact CG2-CG1 4.27Å; T113-I139 HydrophobicContact CG2-CG2 4.05Å |
| 114 | Q | 92.5 | Very high | 88.7 | Confident | 96 Ų | 96 | 54 Ų | 54 | 45% | 0.449 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 175.9 | -173 | 178.8 | 1.4 | 0 | 0 | 111.5 | V110 N111 Q118 F121 | V110-Q114 PolarHBondContact O-N 3.4Å; N111-Q114 PolarHBondContact O-N 3.46Å; Q114-Q118 WeakPolarHBondContact O-CG 3.4Å; Q114-Q118 PolarHBondContact O-N 3.25Å; Q114-F121 HydrophobicContact CB-CE2 4.43Å; Q114-F121 HydrophobicContact CG-CD2 4.49Å |
| 115 | A | 91.7 | Very high | 87.3 | Confident | 61 Ų | 61 | 57.7 Ų | 57.7 | 50% | 0.504 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N111 A112 Q118 | N111-A115 WeakPolarHBondContact O-CB 3.43Å; N111-A115 PolarHBondContact O-N 2.74Å; A112-A115 PolarHBondContact O-N 2.66Å; A115-Q118 WeakPolarHBondContact O-CG 3.34Å |
| 116 | A | 92 | Very high | 85.7 | Confident | 18 Ų | 18 | 66 Ų | 66 | 15% | 0.149 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.9 | -36.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R56 A112 | R56-A116 HydrophobicContact CG-CB 4.33Å; R56-A116 PolarHBondContact NH1-O 3.36Å; R56-A116 PolarHBondContact NH2-O 3.09Å; A112-A116 VanDerWaalsContact O-CB 3.3Å; A112-A116 WeakPolarHBondContact O-CB 3.08Å; A112-A116 PolarHBondContact O-N 2.77Å |
| 117 | N | 90.2 | Very high | 84.2 | Confident | 8 Ų | 8 | 72.3 Ų | 72.3 | 4% | 0.043 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | 34.7 | -170.5 | -50.1 | -75.8 | 0 | 0 | 0 | 113.2 | R56 G58 F60 T113 A119 E120 F121 | R56-N117 PolarHBondContact NH2-OD1 2.86Å; R56-N117 VanDerWaalsContact NH2-OD1 3.09Å; G58-N117 PolarHBondContact O-ND2 3.1Å; F60-N117 HydrophobicContact CD2-CB 4.11Å; F60-N117 HydrophobicContact CE1-CB 4.48Å; F60-N117 HydrophobicContact CE2-CB 3.71Å; F60-N117 HydrophobicContact CZ-CB 3.91Å; T113-N117 PolarHBondContact O-N 2.92Å; T113-N117 VanDerWaalsContact O-N 3.12Å; T113-N117 PolarHBondContact O-ND2 3.05Å; N117-A119 PolarHBondContact O-N 3.09Å; N117-A119 VanDerWaalsContact O-N 3.08Å; N117-E120 HydrophobicContact CB-CB 4.36Å; N117-E120 HydrophobicContact CB-CG 4.27Å; N117-E120 PolarHBondContact O-N 3.36Å; N117-F121 HydrophobicContact CB-CD2 4.44Å; N117-F121 HydrophobicContact CB-CE2 4.38Å; N117-F121 WeakPolarHBondContact O-CD2 3.5Å; N117-F121 PolarHBondContact O-N 3.46Å |
| 118 | Q | 86.4 | Confident | 83.5 | Confident | 125 Ų | 125 | 70 Ų | 70 | 58% | 0.584 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -51.6 | -35.3 | -179.2 | -70.5 | -178.1 | 15.3 | 0 | 0 | 113.5 | Q114 A115 F121 S122 | Q114-Q118 WeakPolarHBondContact O-CG 3.4Å; Q114-Q118 PolarHBondContact O-N 3.25Å; A115-Q118 WeakPolarHBondContact O-CG 3.34Å; Q118-F121 PolarHBondContact O-N 3.42Å; Q118-S122 VanDerWaalsContact O-CB 3.28Å; Q118-S122 WeakPolarHBondContact O-CB 3.45Å; Q118-S122 PolarHBondContact O-N 3.28Å; Q118-S122 PolarHBondContact O-OG 2.77Å |
| 119 | A | 83.6 | Confident | 83.2 | Confident | 78 Ų | 78 | 76.6 Ų | 76.6 | 65% | 0.645 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.1 | -42 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N117 S122 R123 | N117-A119 PolarHBondContact O-N 3.09Å; N117-A119 VanDerWaalsContact O-N 3.08Å; A119-S122 PolarHBondContact O-N 3.38Å; A119-R123 WeakPolarHBondContact O-CB 3.4Å; A119-R123 PolarHBondContact O-N 2.04Å |
| 120 | E | 83.3 | Confident | 83.1 | Confident | 53 Ų | 53 | 78 Ų | 78 | 25% | 0.248 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.7 | -47.8 | 178.7 | -61.9 | -79.2 | -148.2 | 0 | 0 | 110 | F60 K62 N117 S122 R123 E124 | F60-E120 HydrophobicContact CD2-CG 4.21Å; F60-E120 HydrophobicContact CE2-CB 4.04Å; F60-E120 HydrophobicContact CE2-CG 3.94Å; K62-E120 IonicContact NZ-OE1 2.69Å; K62-E120 PolarHBondContact NZ-OE1 3.17Å; N117-E120 HydrophobicContact CB-CB 4.36Å; N117-E120 HydrophobicContact CB-CG 4.27Å; N117-E120 PolarHBondContact O-N 3.36Å; E120-S122 VanDerWaalsContact C-N 3.28Å; E120-S122 PolarHBondContact O-N 2.8Å; E120-R123 PolarHBondContact O-N 3.45Å; E120-E124 WeakPolarHBondContact O-CG 3.28Å; E120-E124 PolarHBondContact O-N 3.06Å |
| 121 | F | 82.9 | Confident | 82.9 | Confident | 31 Ų | 31 | 77.5 Ų | 77.5 | 14% | 0.136 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.6 | -29.8 | 177.6 | -73.8 | -73.1 | 0 | 0 | 0 | 113.8 | F60 Q114 N117 Q118 K125 Q132 L135 W136 I139 | F60-F121 HydrophobicContact CZ-CE2 4.29Å; Q114-F121 HydrophobicContact CB-CE2 4.43Å; Q114-F121 HydrophobicContact CG-CD2 4.49Å; N117-F121 HydrophobicContact CB-CD2 4.44Å; N117-F121 HydrophobicContact CB-CE2 4.38Å; N117-F121 WeakPolarHBondContact O-CD2 3.5Å; N117-F121 PolarHBondContact O-N 3.46Å; Q118-F121 PolarHBondContact O-N 3.42Å; F121-K125 WeakPolarHBondContact O-CB 3.34Å; F121-Q132 PolarHBondContact O-NE2 3.12Å; F121-L135 HydrophobicContact CD1-CD2 4.13Å; F121-L135 HydrophobicContact CE1-CD2 3.76Å; F121-L135 HydrophobicContact CE1-CG 4.28Å; F121-L135 HydrophobicContact CZ-CD2 4.23Å; F121-W136 HydrophobicContact CE1-CE3 4.34Å; F121-I139 HydrophobicContact CE1-CD1 4.2Å; F121-I139 HydrophobicContact CE2-CD1 4.36Å; F121-I139 HydrophobicContact CZ-CD1 3.46Å; F121-I139 VanDerWaalsContact CZ-CD1 3.46Å |
| 122 | S | 80.7 | Confident | 82.7 | Confident | 80 Ų | 80 | 75.8 Ų | 75.8 | 56% | 0.559 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -79.6 | -43.7 | 180 | -60 | 0 | 0 | 0 | 0 | 112 | Q118 A119 E120 E124 K125 | Q118-S122 VanDerWaalsContact O-CB 3.28Å; Q118-S122 WeakPolarHBondContact O-CB 3.45Å; Q118-S122 PolarHBondContact O-N 3.28Å; Q118-S122 PolarHBondContact O-OG 2.77Å; A119-S122 PolarHBondContact O-N 3.38Å; E120-S122 VanDerWaalsContact C-N 3.28Å; E120-S122 PolarHBondContact O-N 2.8Å; S122-E124 VanDerWaalsContact C-N 3.33Å; S122-E124 PolarHBondContact O-N 3.03Å; S122-K125 PolarHBondContact O-N 3.4Å |
| 123 | R | 73.4 | Confident | 82.6 | Confident | 208 Ų | 208 | 82.3 Ų | 82.3 | 79% | 0.785 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.5 | -39.1 | -179.4 | -173.2 | 178.8 | 179.4 | -174.9 | 0.1 | 111.9 | A119 E120 | A119-R123 WeakPolarHBondContact O-CB 3.4Å; A119-R123 PolarHBondContact O-N 2.04Å; E120-R123 PolarHBondContact O-N 3.45Å |
| 124 | E | 70 | Confident | 82.6 | Confident | 31 Ų | 31 | 82.4 Ų | 82.4 | 15% | 0.145 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -10.2 | -175.7 | -66.3 | 175.6 | 164.3 | 0 | 0 | 113.9 | E120 S122 Q126 S128 H131 | E120-E124 WeakPolarHBondContact O-CG 3.28Å; E120-E124 PolarHBondContact O-N 3.06Å; S122-E124 VanDerWaalsContact C-N 3.33Å; S122-E124 PolarHBondContact O-N 3.03Å; E124-Q126 PolarHBondContact O-N 3.16Å; E124-S128 PolarHBondContact O-N 3.19Å; E124-H131 VanDerWaalsContact CD-NE2 3.27Å; E124-H131 IonicContact OE1-CD2 2.84Å; E124-H131 IonicContact OE1-CE1 3.99Å; E124-H131 PolarHBondContact OE1-CE1 2.85Å; E124-H131 VanDerWaalsContact OE1-CE1 3.28Å; E124-H131 IonicContact OE1-ND1 3.28Å; E124-H131 IonicContact OE1-NE2 3.06Å; E124-H131 PolarHBondContact OE1-NE2 3.13Å; E124-H131 IonicContact OE2-CD2 3.95Å; E124-H131 PolarHBondContact OE2-CD2 2.71Å; E124-H131 IonicContact OE2-CE1 3.04Å; E124-H131 IonicContact OE2-CG 3.5Å; E124-H131 IonicContact OE2-NE2 3.89Å; E124-H131 PolarHBondContact OE2-NE2 3.08Å |
| 125 | K | 61.9 | Low | 82.6 | Confident | 153 Ų | 153 | 78 Ų | 78 | 67% | 0.665 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -22.9 | -177.4 | -165.2 | 173.3 | 179.1 | -176.3 | 0 | 113.6 | F121 S122 Q132 | F121-K125 WeakPolarHBondContact O-CB 3.34Å; S122-K125 PolarHBondContact O-N 3.4Å; K125-Q132 VanDerWaalsContact CA-NE2 3.28Å |
| 126 | Q | 58.5 | Low | 82.7 | Confident | 176 Ų | 176 | 80.7 Ų | 80.7 | 82% | 0.822 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -35.7 | -176.5 | -71.1 | -174.3 | -19.8 | 0 | 0 | 113.4 | E124 | E124-Q126 PolarHBondContact O-N 3.16Š|
| 127 | D | 62 | Low | 82.8 | Confident | 154 Ų | 154 | 85 Ų | 85 | 82% | 0.824 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.2 | -11.1 | -166.8 | -78.1 | -25.2 | 0 | 0 | 0 | 116.1 | ||
| 128 | S | 78.6 | Confident | 83 | Confident | 28 Ų | 28 | 84.6 Ų | 84.6 | 20% | 0.196 | 40% | 0.396 | C | S | . | . | trans | -154 | 89.2 | -176.8 | -175.7 | 0 | 0 | 0 | 0 | 115 | E124 L130 H131 Q132 | E124-S128 PolarHBondContact O-N 3.19Å; S128-L130 PolarHBondContact O-N 3.38Å; S128-L130 VanDerWaalsContact O-N 3.17Å; S128-H131 WeakPolarHBondContact O-CB 2.96Å; S128-H131 PolarHBondContact O-N 3.32Å; S128-H131 VanDerWaalsContact O-N 3.11Å; S128-H131 WeakPolarHBondContact OG-CB 2.96Å; S128-H131 PolarHBondContact OG-N 2.7Å; S128-Q132 PolarHBondContact O-N 3.26Å; S128-Q132 VanDerWaalsContact O-N 3.1Å | ||
| 129 | K | 88.2 | Confident | 83.4 | Confident | 181 Ų | 181 | 78.7 Ų | 78.7 | 79% | 0.787 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -53.5 | -33.6 | 168.1 | -69 | -177 | -178.7 | 177.4 | 0 | 112.2 | R133 | K129-R133 WeakPolarHBondContact O-CB 3.45Å; K129-R133 PolarHBondContact O-N 3.41Å; K129-R133 VanDerWaalsContact O-N 3.12Å |
| 130 | L | 91 | Very high | 83.9 | Confident | 30 Ų | 30 | 80 Ų | 80 | 16% | 0.157 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.8 | -42.7 | 178.6 | -174.8 | 61.4 | 0 | 0 | 0 | 111.6 | E74 Y78 S128 Q132 R133 V134 | E74-L130 HydrophobicContact CG-CD1 4.01Å; E74-L130 HydrophobicContact CG-CD2 3.87Å; Y78-L130 HydrophobicContact CD1-CD2 4.42Å; Y78-L130 HydrophobicContact CD1-CG 4.28Å; Y78-L130 HydrophobicContact CD2-CD2 3.7Å; Y78-L130 HydrophobicContact CD2-CG 4.32Å; Y78-L130 HydrophobicContact CE2-CD2 4.49Å; Y78-L130 HydrophobicContact CG-CD2 3.66Å; Y78-L130 HydrophobicContact CG-CG 3.99Å; S128-L130 PolarHBondContact O-N 3.38Å; S128-L130 VanDerWaalsContact O-N 3.17Å; L130-Q132 VanDerWaalsContact C-N 3.35Å; L130-Q132 PolarHBondContact O-N 3.29Å; L130-R133 PolarHBondContact O-N 3.37Å; L130-V134 HydrophobicContact CD1-CG2 4.5Å; L130-V134 WeakPolarHBondContact O-CG2 3.13Å; L130-V134 PolarHBondContact O-N 2.97Å |
| 131 | H | 90.9 | Very high | 84.4 | Confident | 4 Ų | 4 | 79.7 Ų | 79.7 | 2% | 0.019 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.1 | -49.9 | 175.1 | -170.1 | 105.5 | 0 | 0 | 0 | 110.4 | Y78 F86 E124 S128 R133 V134 L135 | Y78-H131 HydrophobicContact CE1-CB 3.94Å; Y78-H131 AromaticContact CE1-ND1 3.81Å; Y78-H131 AromaticContact CZ-ND1 3.99Å; Y78-H131 WeakPolarHBondContact OH-CB 3.47Å; Y78-H131 PolarHBondContact OH-ND1 2.73Å; F86-H131 AromaticContact CD1-NE2 3.98Å; F86-H131 AromaticContact CE1-CD2 3.91Å; F86-H131 AromaticContact CE1-CE1 3.58Å; F86-H131 AromaticContact CE1-NE2 3.34Å; F86-H131 VanDerWaalsContact CE1-NE2 3.34Å; F86-H131 WeakPolarHBondContact CE1-NE2 3.5Å; F86-H131 AromaticContact CE2-CE1 3.91Å; F86-H131 AromaticContact CZ-CE1 3.39Å; F86-H131 WeakPolarHBondContact CZ-CE1 3.31Å; F86-H131 AromaticContact CZ-ND1 3.61Å; F86-H131 AromaticContact CZ-NE2 3.65Å; E124-H131 VanDerWaalsContact CD-NE2 3.27Å; E124-H131 IonicContact OE1-CD2 2.84Å; E124-H131 IonicContact OE1-CE1 3.99Å; E124-H131 PolarHBondContact OE1-CE1 2.85Å; E124-H131 VanDerWaalsContact OE1-CE1 3.28Å; E124-H131 IonicContact OE1-ND1 3.28Å; E124-H131 IonicContact OE1-NE2 3.06Å; E124-H131 PolarHBondContact OE1-NE2 3.13Å; E124-H131 IonicContact OE2-CD2 3.95Å; E124-H131 PolarHBondContact OE2-CD2 2.71Å; E124-H131 IonicContact OE2-CE1 3.04Å; E124-H131 IonicContact OE2-CG 3.5Å; E124-H131 IonicContact OE2-NE2 3.89Å; E124-H131 PolarHBondContact OE2-NE2 3.08Å; S128-H131 WeakPolarHBondContact O-CB 2.96Å; S128-H131 PolarHBondContact O-N 3.32Å; S128-H131 VanDerWaalsContact O-N 3.11Å; S128-H131 WeakPolarHBondContact OG-CB 2.96Å; S128-H131 PolarHBondContact OG-N 2.7Å; H131-R133 VanDerWaalsContact C-N 3.28Å; H131-R133 PolarHBondContact O-N 3.25Å; H131-V134 PolarHBondContact O-N 3.23Å; H131-V134 VanDerWaalsContact O-N 3.15Å; H131-L135 VanDerWaalsContact O-CB 3.31Å; H131-L135 WeakPolarHBondContact O-CB 3.44Å; H131-L135 PolarHBondContact O-N 3.25Å |
| 132 | Q | 90.7 | Very high | 85 | Confident | 54 Ų | 54 | 78.9 Ų | 78.9 | 25% | 0.252 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 179.4 | -67.2 | -164.6 | -49.4 | 0 | 0 | 112.3 | F121 K125 S128 L130 W136 | F121-Q132 PolarHBondContact O-NE2 3.12Å; K125-Q132 VanDerWaalsContact CA-NE2 3.28Å; S128-Q132 PolarHBondContact O-N 3.26Å; S128-Q132 VanDerWaalsContact O-N 3.1Å; L130-Q132 VanDerWaalsContact C-N 3.35Å; L130-Q132 PolarHBondContact O-N 3.29Å; Q132-W136 WeakPolarHBondContact O-CB 3.45Å; Q132-W136 PolarHBondContact O-N 3.47Å |
| 133 | R | 92 | Very high | 85.6 | Confident | 160 Ų | 160 | 75.1 Ų | 75.1 | 60% | 0.604 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.9 | -45.9 | 176 | -172.3 | -172.5 | -64.2 | 160.6 | -0.5 | 111.7 | E74 K129 L130 H131 R137 | E74-R133 IonicContact OE2-NH1 3.84Å; K129-R133 WeakPolarHBondContact O-CB 3.45Å; K129-R133 PolarHBondContact O-N 3.41Å; K129-R133 VanDerWaalsContact O-N 3.12Å; L130-R133 PolarHBondContact O-N 3.37Å; H131-R133 VanDerWaalsContact C-N 3.28Å; H131-R133 PolarHBondContact O-N 3.25Å; R133-R137 WeakPolarHBondContact O-CB 3.49Å; R133-R137 PolarHBondContact O-N 2.97Å |
| 134 | V | 93.6 | Very high | 86.5 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.6 | -47 | 178.5 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | F71 Y78 Y79 F86 L130 H131 W136 R137 L138 | F71-V134 HydrophobicContact CD1-CB 4.48Å; F71-V134 HydrophobicContact CD1-CG1 3.98Å; F71-V134 HydrophobicContact CD2-CG1 4.49Å; F71-V134 HydrophobicContact CE1-CG1 3.89Å; F71-V134 WeakPolarHBondContact CE1-O 3.49Å; F71-V134 HydrophobicContact CE2-CG1 4.41Å; F71-V134 HydrophobicContact CG-CG1 4.29Å; F71-V134 HydrophobicContact CZ-CG1 4.11Å; Y78-V134 HydrophobicContact CD1-CG2 4.16Å; Y79-V134 HydrophobicContact CD2-CG1 3.85Å; Y79-V134 HydrophobicContact CG-CG1 4.36Å; F86-V134 HydrophobicContact CD1-CG1 4.37Å; F86-V134 HydrophobicContact CE1-CB 4.06Å; F86-V134 HydrophobicContact CE1-CG1 3.62Å; F86-V134 HydrophobicContact CE2-CG1 4.26Å; F86-V134 HydrophobicContact CZ-CB 4Å; F86-V134 HydrophobicContact CZ-CG1 3.55Å; L130-V134 HydrophobicContact CD1-CG2 4.5Å; L130-V134 WeakPolarHBondContact O-CG2 3.13Å; L130-V134 PolarHBondContact O-N 2.97Å; H131-V134 PolarHBondContact O-N 3.23Å; H131-V134 VanDerWaalsContact O-N 3.15Å; V134-W136 PolarHBondContact O-N 3.33Å; V134-R137 PolarHBondContact O-N 3.25Å; V134-L138 VanDerWaalsContact O-CB 3.24Å; V134-L138 WeakPolarHBondContact O-CB 3.02Å; V134-L138 PolarHBondContact O-N 3.38Å |
| 135 | L | 93.3 | Very high | 87.5 | Confident | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 178.2 | -177.8 | 61.5 | 0 | 0 | 0 | 111.3 | F60 F86 P87 F121 H131 R137 L138 I139 | F60-L135 HydrophobicContact CZ-CD1 4.16Å; F86-L135 HydrophobicContact CD1-CB 4.28Å; F86-L135 HydrophobicContact CD1-CD1 3.93Å; F86-L135 HydrophobicContact CE1-CB 3.91Å; F86-L135 HydrophobicContact CE1-CD1 4.4Å; P87-L135 HydrophobicContact CG-CD1 4.15Å; F121-L135 HydrophobicContact CD1-CD2 4.13Å; F121-L135 HydrophobicContact CE1-CD2 3.76Å; F121-L135 HydrophobicContact CE1-CG 4.28Å; F121-L135 HydrophobicContact CZ-CD2 4.23Å; H131-L135 VanDerWaalsContact O-CB 3.31Å; H131-L135 WeakPolarHBondContact O-CB 3.44Å; H131-L135 PolarHBondContact O-N 3.25Å; L135-R137 PolarHBondContact O-N 3.3Å; L135-L138 WeakPolarHBondContact O-CB 3.42Å; L135-L138 PolarHBondContact O-N 3.45Å; L135-I139 HydrophobicContact CD1-CD1 3.95Å; L135-I139 HydrophobicContact CD1-CG1 4.3Å; L135-I139 HydrophobicContact CG-CD1 3.86Å; L135-I139 WeakPolarHBondContact O-CB 3.04Å; L135-I139 VanDerWaalsContact O-CG1 3.26Å; L135-I139 WeakPolarHBondContact O-CG1 3.35Å; L135-I139 PolarHBondContact O-N 3.09Å |
| 136 | W | 93.1 | Very high | 88.6 | Confident | 118 Ų | 118 | 63.7 Ų | 63.7 | 45% | 0.447 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 179.5 | -169.7 | -112 | 0 | 0 | 0 | 112.4 | V110 F121 Q132 V134 L138 I139 K140 | V110-W136 HydrophobicContact CG1-CH2 3.25Å; V110-W136 HydrophobicContact CG1-CZ2 3.8Å; V110-W136 HydrophobicContact CG1-CZ3 3.8Å; F121-W136 HydrophobicContact CE1-CE3 4.34Å; Q132-W136 WeakPolarHBondContact O-CB 3.45Å; Q132-W136 PolarHBondContact O-N 3.47Å; V134-W136 PolarHBondContact O-N 3.33Å; W136-L138 VanDerWaalsContact C-N 3.33Å; W136-L138 PolarHBondContact O-N 3.18Å; W136-I139 PolarHBondContact O-N 2.95Å; W136-K140 WeakPolarHBondContact O-CB 3.42Å; W136-K140 PolarHBondContact O-N 3.48Å |
| 137 | R | 94 | Very high | 89.9 | Confident | 108 Ų | 108 | 60.6 Ų | 60.6 | 41% | 0.408 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 175.3 | -177.5 | 64.8 | 179.2 | 168.1 | 16.1 | 110.7 | F71 R133 V134 L135 K140 E141 | F71-R137 HydrophobicContact CD1-CB 3.85Å; F71-R137 HydrophobicContact CD1-CG 3.64Å; F71-R137 HydrophobicContact CE1-CB 4.09Å; F71-R137 HydrophobicContact CE1-CG 4Å; R133-R137 WeakPolarHBondContact O-CB 3.49Å; R133-R137 PolarHBondContact O-N 2.97Å; V134-R137 PolarHBondContact O-N 3.25Å; L135-R137 PolarHBondContact O-N 3.3Å; R137-K140 PolarHBondContact O-N 3.23Å; R137-E141 IonicContact CZ-OE1 3.1Å; R137-E141 IonicContact NE-OE1 3.53Å; R137-E141 IonicContact NH1-OE1 3.74Å; R137-E141 IonicContact NH2-OE1 2.72Å; R137-E141 PolarHBondContact NH2-OE1 3.22Å; R137-E141 WeakPolarHBondContact O-CG 3.46Å; R137-E141 PolarHBondContact O-N 3.31Å |
| 138 | L | 94.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.7 | -48.5 | 179.5 | -178.2 | 65.1 | 0 | 0 | 0 | 111.9 | L67 I69 F71 Y79 F86 P87 V134 L135 W136 K140 E141 I142 | L67-L138 HydrophobicContact CD1-CD1 3.62Å; I69-L138 HydrophobicContact CD1-CD1 3.31Å; F71-L138 HydrophobicContact CE1-CB 3.95Å; F71-L138 HydrophobicContact CE1-CD1 4.47Å; F71-L138 HydrophobicContact CZ-CB 4.19Å; F71-L138 HydrophobicContact CZ-CD1 3.95Å; Y79-L138 HydrophobicContact CE2-CD2 4.29Å; F86-L138 HydrophobicContact CB-CD2 3.59Å; F86-L138 HydrophobicContact CD1-CD2 3.83Å; F86-L138 HydrophobicContact CG-CD2 4.03Å; P87-L138 HydrophobicContact CG-CD2 4.08Å; V134-L138 VanDerWaalsContact O-CB 3.24Å; V134-L138 WeakPolarHBondContact O-CB 3.02Å; V134-L138 PolarHBondContact O-N 3.38Å; L135-L138 WeakPolarHBondContact O-CB 3.42Å; L135-L138 PolarHBondContact O-N 3.45Å; W136-L138 VanDerWaalsContact C-N 3.33Å; W136-L138 PolarHBondContact O-N 3.18Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 2.97Å; L138-E141 PolarHBondContact O-N 3.41Å; L138-I142 HydrophobicContact CD1-CD1 4.13Å; L138-I142 HydrophobicContact CD1-CG1 4.44Å; L138-I142 HydrophobicContact CG-CD1 3.87Å; L138-I142 WeakPolarHBondContact O-CG1 3.44Å; L138-I142 PolarHBondContact O-N 2.93Å |
| 139 | I | 94.5 | Very high | 91 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 177.6 | -70.3 | 168.3 | 0 | 0 | 0 | 110.6 | F60 I90 V110 T113 F121 L135 W136 E141 I142 C143 | F60-I139 HydrophobicContact CE1-CD1 3.9Å; F60-I139 HydrophobicContact CE1-CG1 4.24Å; F60-I139 HydrophobicContact CZ-CD1 3.98Å; I90-I139 HydrophobicContact CD1-CB 4.28Å; I90-I139 HydrophobicContact CD1-CG1 4.2Å; I90-I139 HydrophobicContact CD1-CG2 3.86Å; V110-I139 HydrophobicContact CG2-CG2 4.21Å; T113-I139 HydrophobicContact CG2-CD1 3.96Å; T113-I139 HydrophobicContact CG2-CG1 4.27Å; T113-I139 HydrophobicContact CG2-CG2 4.05Å; F121-I139 HydrophobicContact CE1-CD1 4.2Å; F121-I139 HydrophobicContact CE2-CD1 4.36Å; F121-I139 HydrophobicContact CZ-CD1 3.46Å; F121-I139 VanDerWaalsContact CZ-CD1 3.46Å; L135-I139 HydrophobicContact CD1-CD1 3.95Å; L135-I139 HydrophobicContact CD1-CG1 4.3Å; L135-I139 HydrophobicContact CG-CD1 3.86Å; L135-I139 WeakPolarHBondContact O-CB 3.04Å; L135-I139 VanDerWaalsContact O-CG1 3.26Å; L135-I139 WeakPolarHBondContact O-CG1 3.35Å; L135-I139 PolarHBondContact O-N 3.09Å; W136-I139 PolarHBondContact O-N 2.95Å; I139-E141 VanDerWaalsContact C-N 3.33Å; I139-E141 PolarHBondContact O-N 3.04Å; I139-I142 PolarHBondContact O-N 2.91Å; I139-C143 WeakPolarHBondContact O-CB 3.38Å; I139-C143 PolarHBondContact O-N 3.33Å; I139-C143 PolarHBondContact O-SG 2.86Å |
| 140 | K | 94.9 | Very high | 90.3 | Very high | 104 Ų | 104 | 50.9 Ų | 50.9 | 45% | 0.452 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.8 | -42.4 | 177.1 | -171.4 | 174.7 | -177.4 | 174.8 | 0 | 111.8 | W136 R137 L138 S144 | W136-K140 WeakPolarHBondContact O-CB 3.42Å; W136-K140 PolarHBondContact O-N 3.48Å; R137-K140 PolarHBondContact O-N 3.23Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 2.97Å; K140-S144 WeakPolarHBondContact O-CB 3.34Å; K140-S144 PolarHBondContact O-N 3.4Å; K140-S144 PolarHBondContact O-OG 3.18Å |
| 141 | E | 94.5 | Very high | 89.6 | Confident | 47 Ų | 47 | 52.1 Ų | 52.1 | 22% | 0.22 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67 | -44.3 | 177 | -68.3 | -60.5 | 153.2 | 0 | 0 | 111.9 | I69 R137 L138 I139 C143 S144 A145 | I69-E141 HydrophobicContact CD1-CB 3.93Å; I69-E141 HydrophobicContact CD1-CG 4.47Å; I69-E141 HydrophobicContact CG1-CB 4.47Å; I69-E141 HydrophobicContact CG2-CG 3.89Å; R137-E141 IonicContact CZ-OE1 3.1Å; R137-E141 IonicContact NE-OE1 3.53Å; R137-E141 IonicContact NH1-OE1 3.74Å; R137-E141 IonicContact NH2-OE1 2.72Å; R137-E141 PolarHBondContact NH2-OE1 3.22Å; R137-E141 WeakPolarHBondContact O-CG 3.46Å; R137-E141 PolarHBondContact O-N 3.31Å; L138-E141 PolarHBondContact O-N 3.41Å; I139-E141 VanDerWaalsContact C-N 3.33Å; I139-E141 PolarHBondContact O-N 3.04Å; E141-C143 PolarHBondContact O-N 3.08Å; E141-S144 PolarHBondContact O-N 3.08Å; E141-A145 WeakPolarHBondContact O-CB 3.37Å; E141-A145 PolarHBondContact O-N 3.46Å |
| 142 | I | 93.9 | Very high | 88.5 | Confident | 15 Ų | 15 | 57.9 Ų | 57.9 | 8% | 0.077 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61 | -46.6 | 176.8 | -67.3 | 168.5 | 0 | 0 | 0 | 110.9 | L67 I90 L138 I139 A145 | L67-I142 HydrophobicContact CD1-CD1 4.24Å; L67-I142 HydrophobicContact CD1-CG1 4.43Å; I90-I142 HydrophobicContact CB-CG2 4.03Å; I90-I142 HydrophobicContact CD1-CB 4.05Å; I90-I142 HydrophobicContact CD1-CG2 3.76Å; I90-I142 HydrophobicContact CG1-CG2 3.83Å; L138-I142 HydrophobicContact CD1-CD1 4.13Å; L138-I142 HydrophobicContact CD1-CG1 4.44Å; L138-I142 HydrophobicContact CG-CD1 3.87Å; L138-I142 WeakPolarHBondContact O-CG1 3.44Å; L138-I142 PolarHBondContact O-N 2.93Å; I139-I142 PolarHBondContact O-N 2.91Å; I142-A145 PolarHBondContact O-N 3.31Å |
| 143 | C | 94.1 | Very high | 87 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 177.2 | -72.3 | 0 | 0 | 0 | 0 | 111.8 | V106 C109 V110 I139 E141 A145 K146 | V106-C143 HydrophobicContact CG1-CB 4.19Å; C109-C143 VanDerWaalsContact C-SG 3.58Å; C109-C143 HydrophobicContact CB-CB 3.69Å; C109-C143 WeakPolarHBondContact CB-SG 3.33Å; C109-C143 WeakPolarHBondContact SG-CB 3.5Å; C109-C143 CovalentContact SG-SG 2.05Å; C109-C143 PolarHBondContact SG-SG 2.98Å; V110-C143 HydrophobicContact CG2-CB 4.21Å; I139-C143 WeakPolarHBondContact O-CB 3.38Å; I139-C143 PolarHBondContact O-N 3.33Å; I139-C143 PolarHBondContact O-SG 2.86Å; E141-C143 PolarHBondContact O-N 3.08Å; C143-A145 VanDerWaalsContact C-N 3.26Å; C143-A145 PolarHBondContact O-N 3.36Å; C143-K146 WeakPolarHBondContact O-CB 3.38Å; C143-K146 PolarHBondContact O-N 3.46Å; C143-K146 VanDerWaalsContact O-N 3.15Å |
| 144 | S | 92.8 | Very high | 85.4 | Confident | 37 Ų | 37 | 60.3 Ų | 60.3 | 26% | 0.259 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.8 | -24.8 | 178.2 | -62 | 0 | 0 | 0 | 0 | 113.7 | K140 E141 K146 | K140-S144 WeakPolarHBondContact O-CB 3.34Å; K140-S144 PolarHBondContact O-N 3.4Å; K140-S144 PolarHBondContact O-OG 3.18Å; E141-S144 PolarHBondContact O-N 3.08Å; S144-K146 VanDerWaalsContact C-N 3.32Å |
| 145 | A | 89.7 | Confident | 83.6 | Confident | 57 Ų | 57 | 61.9 Ų | 61.9 | 47% | 0.471 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -15.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E141 I142 C143 | E141-A145 WeakPolarHBondContact O-CB 3.37Å; E141-A145 PolarHBondContact O-N 3.46Å; I142-A145 PolarHBondContact O-N 3.31Å; C143-A145 VanDerWaalsContact C-N 3.26Å; C143-A145 PolarHBondContact O-N 3.36Å |
| 146 | K | 86.9 | Confident | 81.7 | Confident | 59 Ų | 59 | 63.7 Ų | 63.7 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | trans | -68.9 | 139.8 | 173.7 | -62 | -84.7 | -176.1 | 163.6 | 0 | 109.4 | I90 Y92 L105 C143 S144 | I90-K146 WeakPolarHBondContact O-CE 3.38Å; I90-K146 PolarHBondContact O-NZ 3.34Å; Y92-K146 PolarHBondContact O-NZ 3.4Å; L105-K146 HydrophobicContact CD2-CB 3.75Å; C143-K146 WeakPolarHBondContact O-CB 3.38Å; C143-K146 PolarHBondContact O-N 3.46Å; C143-K146 VanDerWaalsContact O-N 3.15Å; S144-K146 VanDerWaalsContact C-N 3.32Å | ||
| 147 | H | 84.8 | Confident | 79.8 | Confident | 111 Ų | 111 | 61.3 Ų | 61.3 | 51% | 0.514 | 32% | 0.32 | S | S | . | . | trans | -139.6 | 152.1 | 176.2 | 57.2 | -80.8 | 0 | 0 | 0 | 108.9 | W151 | H147-W151 HydrophobicContact CB-CE3 4.32Å; H147-W151 HydrophobicContact CB-CZ3 4.32Å | ||
| 148 | C | 83.2 | Confident | 77.7 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.014 | 33% | 0.333 | C | S | . | . | trans | -103.6 | 136.7 | 171.2 | -52.9 | 0 | 0 | 0 | 0 | 109.3 | C95 F150 W151 | C95-C148 VanDerWaalsContact CA-SG 3.5Å; C95-C148 HydrophobicContact CB-CB 3.65Å; C95-C148 WeakPolarHBondContact CB-SG 2.95Å; C95-C148 WeakPolarHBondContact SG-CA 3.34Å; C95-C148 WeakPolarHBondContact SG-CB 3.25Å; C95-C148 CovalentContact SG-SG 2.04Å; C95-C148 PolarHBondContact SG-SG 2.96Å; C148-F150 HydrophobicContact CB-CD1 3.55Å; C148-F150 HydrophobicContact CB-CE1 3.23Å; C148-F150 HydrophobicContact CB-CG 4.36Å; C148-F150 HydrophobicContact CB-CZ 3.83Å; C148-F150 PolarHBondContact O-N 2.95Å; C148-W151 HydrophobicContact CB-CD2 4.29Å; C148-W151 WeakPolarHBondContact O-CB 3.28Å; C148-W151 PolarHBondContact O-N 3.43Å; C148-W151 VanDerWaalsContact O-N 3.08Å | ||
| 149 | D | 79.9 | Confident | 75.7 | Confident | 117 Ų | 117 | 70.4 Ų | 70.4 | 63% | 0.626 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -34.9 | -174.7 | -64.6 | -39.2 | 0 | 0 | 0 | 112.2 | W151 L152 | D149-W151 PolarHBondContact O-N 3.41Å; D149-W151 VanDerWaalsContact O-N 3.13Å; D149-L152 WeakPolarHBondContact O-CB 3.42Å; D149-L152 PolarHBondContact O-N 3.01Å |
| 150 | F | 74.9 | Confident | 73.6 | Confident | 39 Ų | 39 | 75 Ų | 75 | 17% | 0.171 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.1 | -19.6 | 178.1 | 70.5 | -99.7 | 0 | 0 | 0 | 114.3 | V100 C148 L152 E153 R154 | V100-F150 HydrophobicContact CB-CZ 4.41Å; C148-F150 HydrophobicContact CB-CD1 3.55Å; C148-F150 HydrophobicContact CB-CE1 3.23Å; C148-F150 HydrophobicContact CB-CG 4.36Å; C148-F150 HydrophobicContact CB-CZ 3.83Å; C148-F150 PolarHBondContact O-N 2.95Å; F150-L152 VanDerWaalsContact C-N 3.27Å; F150-L152 PolarHBondContact O-N 3.39Å; F150-E153 PolarHBondContact O-N 3Å; F150-R154 PolarHBondContact O-N 3.44Å; F150-R154 VanDerWaalsContact O-N 3.12Å |
| 151 | W | 75.1 | Confident | 71.7 | Confident | 57 Ų | 57 | 72.7 Ų | 72.7 | 22% | 0.216 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.6 | -30.2 | 172.5 | -68.3 | -13.5 | 0 | 0 | 0 | 112.3 | V100 T101 K102 L105 H147 C148 D149 E153 | V100-W151 WeakPolarHBondContact O-CZ2 3.38Å; V100-W151 PolarHBondContact O-NE1 3.03Å; T101-W151 VanDerWaalsContact C-CZ2 3.47Å; K102-W151 VanDerWaalsContact CA-CZ2 3.45Å; K102-W151 HydrophobicContact CB-CE3 4.46Å; K102-W151 HydrophobicContact CB-CH2 3.59Å; K102-W151 HydrophobicContact CB-CZ2 4.05Å; K102-W151 HydrophobicContact CB-CZ3 3.78Å; K102-W151 HydrophobicContact CD-CZ3 4.24Å; K102-W151 HydrophobicContact CG-CH2 3.81Å; K102-W151 HydrophobicContact CG-CZ3 3.75Å; L105-W151 HydrophobicContact CB-CH2 3.92Å; L105-W151 HydrophobicContact CB-CZ2 4.2Å; L105-W151 HydrophobicContact CD2-CH2 3.58Å; L105-W151 HydrophobicContact CD2-CZ2 4.36Å; L105-W151 HydrophobicContact CD2-CZ3 4.3Å; L105-W151 HydrophobicContact CG-CH2 4.34Å; H147-W151 HydrophobicContact CB-CE3 4.32Å; H147-W151 HydrophobicContact CB-CZ3 4.32Å; C148-W151 HydrophobicContact CB-CD2 4.29Å; C148-W151 WeakPolarHBondContact O-CB 3.28Å; C148-W151 PolarHBondContact O-N 3.43Å; C148-W151 VanDerWaalsContact O-N 3.08Å; D149-W151 PolarHBondContact O-N 3.41Å; D149-W151 VanDerWaalsContact O-N 3.13Å; W151-E153 VanDerWaalsContact C-N 3.34Å |
| 152 | L | 67.4 | Low | 69.9 | Low | 125 Ų | 125 | 74.4 Ų | 74.4 | 65% | 0.654 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -71.1 | -35.3 | 174.7 | -62.7 | 169.4 | 0 | 0 | 0 | 110.6 | D149 F150 G155 A156 | D149-L152 WeakPolarHBondContact O-CB 3.42Å; D149-L152 PolarHBondContact O-N 3.01Å; F150-L152 VanDerWaalsContact C-N 3.27Å; F150-L152 PolarHBondContact O-N 3.39Å; L152-G155 PolarHBondContact O-N 3.26Å; L152-A156 PolarHBondContact O-N 2.99Å |
| 153 | E | 59.8 | Low | 68.3 | Low | 138 Ų | 138 | 78.6 Ų | 78.6 | 65% | 0.645 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -73.4 | -35.7 | -178.9 | -65.6 | -174.1 | 165.1 | 0 | 0 | 113.5 | F150 W151 G155 A156 A157 | F150-E153 PolarHBondContact O-N 3Å; W151-E153 VanDerWaalsContact C-N 3.34Å; E153-G155 PolarHBondContact O-N 2.98Å; E153-A156 WeakPolarHBondContact O-CA 3.34Å; E153-A156 WeakPolarHBondContact O-CB 3.27Å; E153-A156 PolarHBondContact O-N 3.34Å; E153-A157 PolarHBondContact O-N 2.94Å |
| 154 | R | 58.9 | Low | 66.8 | Low | 126 Ų | 126 | 84.6 Ų | 84.6 | 48% | 0.475 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.6 | -34.4 | 171.3 | -73.5 | -178.9 | -173.3 | -169.4 | -3.6 | 112.1 | A98 N99 F150 A156 | A98-R154 PolarHBondContact O-NH2 2.63Å; N99-R154 PolarHBondContact OD1-NH2 2.98Å; F150-R154 PolarHBondContact O-N 3.44Å; F150-R154 VanDerWaalsContact O-N 3.12Å; R154-A156 VanDerWaalsContact C-N 3.35Å |
| 155 | G | 56 | Low | 65.5 | Low | 35 Ų | 35 | 86.3 Ų | 86.3 | 36% | 0.361 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -72.7 | -25.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L152 E153 R159 | L152-G155 PolarHBondContact O-N 3.26Å; E153-G155 PolarHBondContact O-N 2.98Å; G155-R159 WeakPolarHBondContact O-CG 3.48Å; G155-R159 PolarHBondContact O-N 3.38Å |
| 156 | A | 53.2 | Low | 64.5 | Low | 42 Ų | 42 | 86 Ų | 86 | 35% | 0.347 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -76.1 | -38.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L152 E153 R154 L158 R159 V160 | L152-A156 PolarHBondContact O-N 2.99Å; E153-A156 WeakPolarHBondContact O-CA 3.34Å; E153-A156 WeakPolarHBondContact O-CB 3.27Å; E153-A156 PolarHBondContact O-N 3.34Å; R154-A156 VanDerWaalsContact C-N 3.35Å; A156-L158 PolarHBondContact O-N 3.38Å; A156-R159 WeakPolarHBondContact O-CA 3.39Å; A156-R159 WeakPolarHBondContact O-CB 3.46Å; A156-R159 PolarHBondContact O-N 2.99Å; A156-V160 WeakPolarHBondContact O-CG2 3.28Å; A156-V160 PolarHBondContact O-N 2.93Å |
| 157 | A | 52.2 | Low | 63.6 | Low | 67 Ų | 67 | 88.5 Ų | 88.5 | 55% | 0.554 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.3 | -38.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E153 R159 V160 A161 | E153-A157 PolarHBondContact O-N 2.94Å; A157-R159 VanDerWaalsContact C-N 3.31Å; A157-R159 PolarHBondContact O-N 3.05Å; A157-V160 PolarHBondContact O-N 3.35Å; A157-A161 PolarHBondContact O-N 3.1Å; A157-A161 VanDerWaalsContact O-N 3.08Å |
| 158 | L | 50.4 | Low | 63 | Low | 128 Ų | 128 | 87.7 Ų | 87.7 | 67% | 0.67 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.1 | -30.6 | 173 | -152.6 | 98.5 | 0 | 0 | 0 | 112.6 | A156 V162 | A156-L158 PolarHBondContact O-N 3.38Å; L158-V162 VanDerWaalsContact O-CG2 3.28Å; L158-V162 WeakPolarHBondContact O-CG2 3.44Å; L158-V162 PolarHBondContact O-N 2.87Å |
| 159 | R | 51.7 | Low | 62.5 | Low | 172 Ų | 172 | 90.4 Ų | 90.4 | 65% | 0.649 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.3 | -42.2 | 174 | -70.5 | 171.8 | -172.3 | -173.6 | 1.5 | 111.4 | G155 A156 A157 A161 V162 D163 | G155-R159 WeakPolarHBondContact O-CG 3.48Å; G155-R159 PolarHBondContact O-N 3.38Å; A156-R159 WeakPolarHBondContact O-CA 3.39Å; A156-R159 WeakPolarHBondContact O-CB 3.46Å; A156-R159 PolarHBondContact O-N 2.99Å; A157-R159 VanDerWaalsContact C-N 3.31Å; A157-R159 PolarHBondContact O-N 3.05Å; R159-A161 VanDerWaalsContact C-N 3.29Å; R159-A161 PolarHBondContact O-N 3.42Å; R159-V162 PolarHBondContact O-N 3.43Å; R159-V162 VanDerWaalsContact O-N 3.08Å; R159-D163 PolarHBondContact O-N 3.32Å |
| 160 | V | 51.9 | Low | 62.3 | Low | 98 Ų | 98 | 89.8 Ų | 89.8 | 59% | 0.594 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.5 | -40.8 | 175.3 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | A156 A157 V162 D163 Q164 | A156-V160 WeakPolarHBondContact O-CG2 3.28Å; A156-V160 PolarHBondContact O-N 2.93Å; A157-V160 PolarHBondContact O-N 3.35Å; V160-V162 VanDerWaalsContact C-N 3.3Å; V160-V162 PolarHBondContact O-N 2.93Å; V160-D163 PolarHBondContact O-N 3.47Å; V160-Q164 PolarHBondContact O-N 3.19Å; V160-Q164 VanDerWaalsContact O-N 3.1Å |
| 161 | A | 53.9 | Low | 62.5 | Low | 54 Ų | 54 | 93.6 Ų | 93.6 | 45% | 0.446 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.7 | -26.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A157 R159 P165 | A157-A161 PolarHBondContact O-N 3.1Å; A157-A161 VanDerWaalsContact O-N 3.08Å; R159-A161 VanDerWaalsContact C-N 3.29Å; R159-A161 PolarHBondContact O-N 3.42Å; A161-P165 WeakPolarHBondContact O-CD 3.3Å |
| 162 | V | 57.6 | Low | 62.6 | Low | 84 Ų | 84 | 92.5 Ų | 92.5 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -81.9 | -30.4 | 176 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | L158 R159 V160 P165 | L158-V162 VanDerWaalsContact O-CG2 3.28Å; L158-V162 WeakPolarHBondContact O-CG2 3.44Å; L158-V162 PolarHBondContact O-N 2.87Å; R159-V162 PolarHBondContact O-N 3.43Å; R159-V162 VanDerWaalsContact O-N 3.08Å; V160-V162 VanDerWaalsContact C-N 3.3Å; V160-V162 PolarHBondContact O-N 2.93Å; V162-P165 VanDerWaalsContact O-CD 3.27Å; V162-P165 WeakPolarHBondContact O-CD 3.48Å; V162-P165 VanDerWaalsContact O-CG 3.28Å; V162-P165 WeakPolarHBondContact O-CG 3.35Å |
| 163 | D | 59.6 | Low | 62.8 | Low | 103 Ų | 103 | 88.6 Ų | 88.6 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -74.5 | -28.2 | 173.4 | -71.9 | -34.2 | 0 | 0 | 0 | 112.1 | R159 V160 A166 M167 | R159-D163 PolarHBondContact O-N 3.32Å; V160-D163 PolarHBondContact O-N 3.47Å; D163-A166 WeakPolarHBondContact O-CB 3.35Å; D163-A166 PolarHBondContact O-N 3.45Å; D163-M167 WeakPolarHBondContact O-CG 3.35Å; D163-M167 PolarHBondContact O-N 3.35Å |
| 164 | Q | 63.6 | Low | 63.6 | Low | 126 Ų | 126 | 86.2 Ų | 86.2 | 59% | 0.589 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -56.3 | -49.2 | 178.7 | -163 | 176.5 | -17.2 | 0 | 0 | 114.5 | V160 A166 M167 V168 | V160-Q164 PolarHBondContact O-N 3.19Å; V160-Q164 VanDerWaalsContact O-N 3.1Å; Q164-A166 VanDerWaalsContact C-N 3.34Å; Q164-A166 PolarHBondContact O-N 3.18Å; Q164-M167 PolarHBondContact O-N 3.39Å; Q164-V168 WeakPolarHBondContact O-CG2 3.49Å; Q164-V168 PolarHBondContact O-N 3.34Å |
| 165 | P | 65.5 | Low | 64.5 | Low | 72 Ų | 72 | 88 Ų | 88 | 47% | 0.468 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67 | -32.7 | 175.8 | 25.1 | -34.2 | 0 | 0 | 0 | 112.7 | A161 V162 M167 V168 C169 | A161-P165 WeakPolarHBondContact O-CD 3.3Å; V162-P165 VanDerWaalsContact O-CD 3.27Å; V162-P165 WeakPolarHBondContact O-CD 3.48Å; V162-P165 VanDerWaalsContact O-CG 3.28Å; V162-P165 WeakPolarHBondContact O-CG 3.35Å; P165-M167 VanDerWaalsContact C-N 3.34Å; P165-V168 PolarHBondContact O-N 3.19Å; P165-C169 WeakPolarHBondContact O-CB 3.4Å; P165-C169 PolarHBondContact O-N 3.4Å; P165-C169 PolarHBondContact O-SG 3.18Å |
| 166 | A | 68.1 | Low | 65.2 | Low | 50 Ų | 50 | 92.4 Ų | 92.4 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D163 Q164 C169 L170 | D163-A166 WeakPolarHBondContact O-CB 3.35Å; D163-A166 PolarHBondContact O-N 3.45Å; Q164-A166 VanDerWaalsContact C-N 3.34Å; Q164-A166 PolarHBondContact O-N 3.18Å; A166-C169 PolarHBondContact O-N 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.36Å; A166-L170 WeakPolarHBondContact O-CG 3.33Å; A166-L170 PolarHBondContact O-N 3.08Å |
| 167 | M | 68.5 | Low | 66.2 | Low | 112 Ų | 112 | 96.5 Ų | 96.5 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.5 | -41.8 | 174.7 | -69.7 | -62.3 | -68.6 | 0 | 0 | 112.4 | D163 Q164 P165 L170 L171 | D163-M167 WeakPolarHBondContact O-CG 3.35Å; D163-M167 PolarHBondContact O-N 3.35Å; Q164-M167 PolarHBondContact O-N 3.39Å; P165-M167 VanDerWaalsContact C-N 3.34Å; M167-L170 PolarHBondContact O-N 2.93Å; M167-L170 HydrophobicContact SD-CD1 4.4Å; M167-L171 WeakPolarHBondContact O-CG 3.05Å; M167-L171 PolarHBondContact O-N 2.94Å |
| 168 | V | 72.6 | Confident | 67.2 | Low | 94 Ų | 94 | 99 Ų | 99 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.8 | -41.7 | 175.6 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | Q164 P165 L171 G172 | Q164-V168 WeakPolarHBondContact O-CG2 3.49Å; Q164-V168 PolarHBondContact O-N 3.34Å; P165-V168 PolarHBondContact O-N 3.19Å; V168-L171 PolarHBondContact O-N 2.91Å; V168-G172 PolarHBondContact O-N 2.98Å |
| 169 | C | 72.9 | Confident | 67.5 | Low | 60 Ų | 60 | 102.4 Ų | 102.4 | 41% | 0.405 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.3 | -48.9 | 173.1 | -81.4 | 0 | 0 | 0 | 0 | 111.3 | P165 A166 L171 G172 F173 | P165-C169 WeakPolarHBondContact O-CB 3.4Å; P165-C169 PolarHBondContact O-N 3.4Å; P165-C169 PolarHBondContact O-SG 3.18Å; A166-C169 PolarHBondContact O-N 3.27Å; C169-L171 VanDerWaalsContact C-N 3.35Å; C169-L171 PolarHBondContact O-N 3.25Å; C169-G172 PolarHBondContact O-N 3.46Å; C169-F173 HydrophobicContact CB-CE2 4.45Å; C169-F173 WeakPolarHBondContact O-CD2 3.34Å; C169-F173 PolarHBondContact O-N 3.49Å |
| 170 | L | 75.7 | Confident | 68.3 | Low | 104 Ų | 104 | 99 Ų | 99 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 177.9 | -76.4 | 167.3 | 0 | 0 | 0 | 112.1 | A166 M167 G172 F173 V174 | A166-L170 WeakPolarHBondContact O-CB 3.36Å; A166-L170 WeakPolarHBondContact O-CG 3.33Å; A166-L170 PolarHBondContact O-N 3.08Å; M167-L170 PolarHBondContact O-N 2.93Å; M167-L170 HydrophobicContact SD-CD1 4.4Å; L170-G172 VanDerWaalsContact C-N 3.34Å; L170-G172 PolarHBondContact O-N 3.33Å; L170-F173 PolarHBondContact O-N 3.43Å; L170-V174 WeakPolarHBondContact O-CG2 3.35Å; L170-V174 PolarHBondContact O-N 3.39Å |
| 171 | L | 77.5 | Confident | 69.1 | Low | 119 Ų | 119 | 99 Ų | 99 | 62% | 0.623 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.4 | -41.3 | 175.4 | -73.6 | 167.5 | 0 | 0 | 0 | 111.9 | M167 V168 C169 V174 W175 | M167-L171 WeakPolarHBondContact O-CG 3.05Å; M167-L171 PolarHBondContact O-N 2.94Å; V168-L171 PolarHBondContact O-N 2.91Å; C169-L171 VanDerWaalsContact C-N 3.35Å; C169-L171 PolarHBondContact O-N 3.25Å; L171-V174 PolarHBondContact O-N 3.35Å; L171-W175 WeakPolarHBondContact O-CB 3.26Å; L171-W175 PolarHBondContact O-N 2.89Å |
| 172 | G | 77.1 | Confident | 70 | Confident | 34 Ų | 34 | 101.5 Ų | 101.5 | 35% | 0.351 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V168 C169 L170 W175 F176 | V168-G172 PolarHBondContact O-N 2.98Å; C169-G172 PolarHBondContact O-N 3.46Å; L170-G172 VanDerWaalsContact C-N 3.34Å; L170-G172 PolarHBondContact O-N 3.33Å; G172-W175 PolarHBondContact O-N 2.93Å; G172-F176 WeakPolarHBondContact O-CB 3.48Å; G172-F176 PolarHBondContact O-N 3.37Å |
| 173 | F | 71.9 | Confident | 70.7 | Confident | 42 Ų | 42 | 102.5 Ų | 102.5 | 18% | 0.184 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 174.5 | -80.1 | -67.2 | 0 | 0 | 0 | 112.3 | V10 A11 C14 C169 L170 W175 F176 I177 | V10-F173 HydrophobicContact CB-CE1 4.36Å; V10-F173 HydrophobicContact CG1-CE1 3.82Å; V10-F173 HydrophobicContact CG1-CZ 3.87Å; A11-F173 HydrophobicContact CB-CE1 3.95Å; A11-F173 HydrophobicContact CB-CZ 4.39Å; C14-F173 HydrophobicContact CB-CE2 3.82Å; C14-F173 HydrophobicContact CB-CZ 3.74Å; C14-F173 VanDerWaalsContact SG-CZ 3.53Å; C169-F173 HydrophobicContact CB-CE2 4.45Å; C169-F173 WeakPolarHBondContact O-CD2 3.34Å; C169-F173 PolarHBondContact O-N 3.49Å; L170-F173 PolarHBondContact O-N 3.43Å; F173-W175 VanDerWaalsContact C-N 3.33Å; F173-W175 PolarHBondContact O-N 3.46Å; F173-F176 PolarHBondContact O-N 3.49Å; F173-I177 VanDerWaalsContact O-CG1 3.23Å; F173-I177 WeakPolarHBondContact O-CG1 3.44Å; F173-I177 PolarHBondContact O-N 2.98Å |
| 174 | V | 77.2 | Confident | 71.4 | Confident | 88 Ų | 88 | 102.5 Ų | 102.5 | 53% | 0.533 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 177.4 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | L170 L171 F176 I177 V178 | L170-V174 WeakPolarHBondContact O-CG2 3.35Å; L170-V174 PolarHBondContact O-N 3.39Å; L171-V174 PolarHBondContact O-N 3.35Å; V174-F176 VanDerWaalsContact C-N 3.34Å; V174-F176 PolarHBondContact O-N 3.19Å; V174-I177 PolarHBondContact O-N 3.44Å; V174-V178 HydrophobicContact CG1-CG2 4.27Å; V174-V178 WeakPolarHBondContact O-CB 3.41Å; V174-V178 VanDerWaalsContact O-CG2 3.26Å; V174-V178 WeakPolarHBondContact O-CG2 3.35Å; V174-V178 PolarHBondContact O-N 3.19Å |
| 175 | W | 78.5 | Confident | 71.9 | Confident | 163 Ų | 163 | 100.9 Ų | 100.9 | 62% | 0.617 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.1 | -39.3 | 177.9 | -169.2 | 71.3 | 0 | 0 | 0 | 112.7 | L171 G172 F173 I177 V178 K179 | L171-W175 WeakPolarHBondContact O-CB 3.26Å; L171-W175 PolarHBondContact O-N 2.89Å; G172-W175 PolarHBondContact O-N 2.93Å; F173-W175 VanDerWaalsContact C-N 3.33Å; F173-W175 PolarHBondContact O-N 3.46Å; W175-I177 VanDerWaalsContact C-N 3.33Å; W175-I177 PolarHBondContact O-N 3.29Å; W175-V178 PolarHBondContact O-N 3.47Å; W175-K179 HydrophobicContact CH2-CD 4.1Å; W175-K179 HydrophobicContact CZ2-CD 3.81Å; W175-K179 WeakPolarHBondContact O-CB 3.23Å; W175-K179 PolarHBondContact O-N 2.99Å |
| 176 | F | 70.7 | Confident | 72.4 | Confident | 128 Ų | 128 | 103 Ų | 103 | 56% | 0.561 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -70.6 | -23.5 | 175.2 | -112.9 | -82.7 | 0 | 0 | 0 | 114.3 | G172 F173 V174 | G172-F176 WeakPolarHBondContact O-CB 3.48Å; G172-F176 PolarHBondContact O-N 3.37Å; F173-F176 PolarHBondContact O-N 3.49Å; V174-F176 VanDerWaalsContact C-N 3.34Å; V174-F176 PolarHBondContact O-N 3.19Å |
| 177 | I | 73.1 | Confident | 72.7 | Confident | 128 Ų | 128 | 107.1 Ų | 107.1 | 66% | 0.656 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -83.4 | -33.6 | 176.1 | -69.6 | 166.4 | 0 | 0 | 0 | 110.8 | F173 V174 W175 | F173-I177 VanDerWaalsContact O-CG1 3.23Å; F173-I177 WeakPolarHBondContact O-CG1 3.44Å; F173-I177 PolarHBondContact O-N 2.98Å; V174-I177 PolarHBondContact O-N 3.44Å; W175-I177 VanDerWaalsContact C-N 3.33Å; W175-I177 PolarHBondContact O-N 3.29Å |
| 178 | V | 73.3 | Confident | 73.1 | Confident | 121 Ų | 121 | 106.7 Ų | 106.7 | 73% | 0.733 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -81.2 | -17.3 | -178.4 | 174.8 | 0 | 0 | 0 | 0 | 112.5 | V174 W175 | V174-V178 HydrophobicContact CG1-CG2 4.27Å; V174-V178 WeakPolarHBondContact O-CB 3.41Å; V174-V178 VanDerWaalsContact O-CG2 3.26Å; V174-V178 WeakPolarHBondContact O-CG2 3.35Å; V174-V178 PolarHBondContact O-N 3.19Å; W175-V178 PolarHBondContact O-N 3.47Å |
| 179 | K | 56.5 | Low | 73.1 | Confident | 199 Ų | 199 | 107.8 Ų | 107.8 | 87% | 0.865 | 55% | 0.552 | S | S | * | * | trans | -110 | 0 | -177.8 | -164.7 | 173.7 | -178.8 | 70.9 | 0 | 112.6 | W175 | W175-K179 HydrophobicContact CH2-CD 4.1Å; W175-K179 HydrophobicContact CZ2-CD 3.81Å; W175-K179 WeakPolarHBondContact O-CB 3.23Å; W175-K179 PolarHBondContact O-N 2.99Å |
Retrieved 179 of 179 residues in 316.8 ms
(Link to these results)