| 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 | 55.1 | Low | 68.3 | Low | 241 Ų | 241 | 135.7 Ų | 135.7 | 100% | 1.187 | 68% | 0.678 | S | S | * | * | 0 | 64.6 | 0 | -61.4 | 179.7 | -178.1 | 0 | 0 | 112.5 | |||||
| 2 | K | 60.9 | Low | 70 | Confident | 187 Ų | 187 | 132.7 Ų | 132.7 | 81% | 0.813 | 67% | 0.672 | S | S | * | * | trans | -143.6 | 8.6 | 177.1 | -72 | -175.5 | -178.6 | 171.4 | 0 | 115.4 | ||||
| 3 | L | 61.4 | Low | 71.4 | Confident | 165 Ų | 165 | 132.2 Ų | 132.2 | 86% | 0.864 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -89.1 | -17.3 | -177.8 | -71.4 | 169 | 0 | 0 | 0 | 114.3 | K5 | L3-K5 PolarHBondContact O-N 3.5Š|
| 4 | W | 59.4 | Low | 72.3 | Confident | 225 Ų | 225 | 128.1 Ų | 128.1 | 85% | 0.852 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -76.9 | -22.7 | -177.2 | -131.1 | -2.3 | 0 | 0 | 0 | 114.1 | A7 T8 | W4-A7 PolarHBondContact O-N 2.96Å; W4-T8 PolarHBondContact O-N 3.13Å |
| 5 | K | 60.5 | Low | 73.1 | Confident | 153 Ų | 153 | 123.7 Ų | 123.7 | 67% | 0.665 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -66.2 | -40.5 | 177.7 | -66.4 | -176.4 | 178.9 | -174.3 | 0 | 111.2 | L3 A7 T8 F9 | L3-K5 PolarHBondContact O-N 3.5Å; K5-A7 VanDerWaalsContact C-N 3.35Å; K5-A7 PolarHBondContact O-N 3.16Å; K5-T8 PolarHBondContact O-N 3.45Å; K5-T8 PolarHBondContact O-OG1 2.98Å; K5-F9 WeakPolarHBondContact O-CD2 3.44Å; K5-F9 PolarHBondContact O-N 3.01Å |
| 6 | G | 64.2 | Low | 74.1 | Confident | 49 Ų | 49 | 119.1 Ų | 119.1 | 51% | 0.505 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -61.5 | -40.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T8 F9 A10 | G6-T8 PolarHBondContact O-N 3.27Å; G6-F9 PolarHBondContact O-N 2.78Å; G6-A10 PolarHBondContact O-N 2.79Å; G6-A10 VanDerWaalsContact O-N 3.12Å |
| 7 | A | 72.1 | Confident | 74.8 | Confident | 33 Ų | 33 | 115.2 Ų | 115.2 | 27% | 0.273 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -62.8 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | W4 K5 F9 A10 F11 | W4-A7 PolarHBondContact O-N 2.96Å; K5-A7 VanDerWaalsContact C-N 3.35Å; K5-A7 PolarHBondContact O-N 3.16Å; A7-F9 PolarHBondContact O-N 2.84Å; A7-A10 PolarHBondContact O-N 3.13Å; A7-F11 HydrophobicContact CB-CE2 4.46Å; A7-F11 WeakPolarHBondContact O-CD2 3.31Å; A7-F11 PolarHBondContact O-N 3.26Å |
| 8 | T | 75.6 | Confident | 75.3 | Confident | 78 Ų | 78 | 114.7 Ų | 114.7 | 48% | 0.479 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62.5 | -40.6 | 178.3 | 53.5 | 0 | 0 | 0 | 0 | 113 | W4 K5 G6 F11 V12 | W4-T8 PolarHBondContact O-N 3.13Å; K5-T8 PolarHBondContact O-N 3.45Å; K5-T8 PolarHBondContact O-OG1 2.98Å; G6-T8 PolarHBondContact O-N 3.27Å; T8-F11 PolarHBondContact O-N 3.37Å; T8-V12 VanDerWaalsContact O-CG2 3.29Å; T8-V12 WeakPolarHBondContact O-CG2 3.4Å; T8-V12 PolarHBondContact O-N 3.47Å; T8-V12 VanDerWaalsContact O-N 3.08Å |
| 9 | F | 78.3 | Confident | 75.6 | Confident | 145 Ų | 145 | 111.6 Ų | 111.6 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.6 | -38.7 | 175.4 | -73.1 | -68.6 | 0 | 0 | 0 | 112.5 | K5 G6 A7 V12 L13 | K5-F9 WeakPolarHBondContact O-CD2 3.44Å; K5-F9 PolarHBondContact O-N 3.01Å; G6-F9 PolarHBondContact O-N 2.78Å; A7-F9 PolarHBondContact O-N 2.84Å; F9-V12 PolarHBondContact O-N 3.05Å; F9-L13 WeakPolarHBondContact O-CG 3.43Å; F9-L13 PolarHBondContact O-N 2.85Å |
| 10 | A | 81.4 | Confident | 75.7 | Confident | 60 Ų | 60 | 110.5 Ų | 110.5 | 50% | 0.496 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.3 | -42.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G6 A7 L13 C14 | G6-A10 PolarHBondContact O-N 2.79Å; G6-A10 VanDerWaalsContact O-N 3.12Å; A7-A10 PolarHBondContact O-N 3.13Å; A10-L13 PolarHBondContact O-N 2.69Å; A10-C14 VanDerWaalsContact O-CB 3.31Å; A10-C14 WeakPolarHBondContact O-CB 3.47Å; A10-C14 PolarHBondContact O-N 3.29Å |
| 11 | F | 82.4 | Confident | 75.8 | Confident | 157 Ų | 157 | 111.8 Ų | 111.8 | 69% | 0.689 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65 | -39.7 | 177 | -79.5 | -66.9 | 0 | 0 | 0 | 112.6 | A7 T8 C14 A15 | A7-F11 HydrophobicContact CB-CE2 4.46Å; A7-F11 WeakPolarHBondContact O-CD2 3.31Å; A7-F11 PolarHBondContact O-N 3.26Å; T8-F11 PolarHBondContact O-N 3.37Å; F11-C14 PolarHBondContact O-N 3.41Å; F11-A15 WeakPolarHBondContact O-CB 3.21Å; F11-A15 PolarHBondContact O-N 2.83Å |
| 12 | V | 88.5 | Confident | 76.9 | Confident | 99 Ų | 99 | 105.7 Ų | 105.7 | 60% | 0.6 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.8 | -43.3 | 177.7 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | T8 F9 A15 A16 | T8-V12 VanDerWaalsContact O-CG2 3.29Å; T8-V12 WeakPolarHBondContact O-CG2 3.4Å; T8-V12 PolarHBondContact O-N 3.47Å; T8-V12 VanDerWaalsContact O-N 3.08Å; F9-V12 PolarHBondContact O-N 3.05Å; V12-A15 PolarHBondContact O-N 3.18Å; V12-A16 WeakPolarHBondContact O-CB 3.36Å; V12-A16 PolarHBondContact O-N 3.34Å |
| 13 | L | 87.8 | Confident | 77.6 | Confident | 127 Ų | 127 | 102.4 Ų | 102.4 | 67% | 0.665 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.8 | -39.4 | 176.8 | -73.2 | 171.6 | 0 | 0 | 0 | 112.1 | F9 A10 A16 A17 | F9-L13 WeakPolarHBondContact O-CG 3.43Å; F9-L13 PolarHBondContact O-N 2.85Å; A10-L13 PolarHBondContact O-N 2.69Å; L13-A16 PolarHBondContact O-N 3.49Å; L13-A17 WeakPolarHBondContact O-CB 3.13Å; L13-A17 PolarHBondContact O-N 2.89Å |
| 14 | C | 84.8 | Confident | 78.1 | Confident | 75 Ų | 75 | 104.5 Ų | 104.5 | 51% | 0.507 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68 | -41.3 | 178.2 | -149.8 | 0 | 0 | 0 | 0 | 111.7 | A10 F11 A16 A17 L18 | A10-C14 VanDerWaalsContact O-CB 3.31Å; A10-C14 WeakPolarHBondContact O-CB 3.47Å; A10-C14 PolarHBondContact O-N 3.29Å; F11-C14 PolarHBondContact O-N 3.41Å; C14-A16 PolarHBondContact O-N 2.8Å; C14-A17 PolarHBondContact O-N 3.22Å; C14-L18 WeakPolarHBondContact O-CB 3.46Å; C14-L18 WeakPolarHBondContact O-CG 2.86Å; C14-L18 PolarHBondContact O-N 3.24Å |
| 15 | A | 84.4 | Confident | 78.3 | Confident | 61 Ų | 61 | 97.5 Ų | 97.5 | 50% | 0.504 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F11 V12 L18 S19 | F11-A15 WeakPolarHBondContact O-CB 3.21Å; F11-A15 PolarHBondContact O-N 2.83Å; V12-A15 PolarHBondContact O-N 3.18Å; A15-L18 PolarHBondContact O-N 3.47Å; A15-S19 WeakPolarHBondContact O-CB 3.28Å; A15-S19 PolarHBondContact O-N 3.13Å |
| 16 | A | 88.3 | Confident | 78.4 | Confident | 50 Ų | 50 | 95.7 Ų | 95.7 | 41% | 0.413 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V12 L13 C14 S19 T20 | V12-A16 WeakPolarHBondContact O-CB 3.36Å; V12-A16 PolarHBondContact O-N 3.34Å; L13-A16 PolarHBondContact O-N 3.49Å; C14-A16 PolarHBondContact O-N 2.8Å; A16-S19 PolarHBondContact O-N 3.31Å; A16-S19 PolarHBondContact O-OG 3.32Å; A16-T20 WeakPolarHBondContact O-CG2 3.3Å; A16-T20 PolarHBondContact O-N 2.81Å; A16-T20 PolarHBondContact O-OG1 2.8Å |
| 17 | A | 86.6 | Confident | 78 | Confident | 54 Ų | 54 | 96.1 Ų | 96.1 | 45% | 0.446 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62 | -45 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L13 C14 S19 T20 F21 | L13-A17 WeakPolarHBondContact O-CB 3.13Å; L13-A17 PolarHBondContact O-N 2.89Å; C14-A17 PolarHBondContact O-N 3.22Å; A17-S19 VanDerWaalsContact C-N 3.35Å; A17-S19 PolarHBondContact O-N 3.07Å; A17-T20 PolarHBondContact O-N 2.77Å; A17-T20 PolarHBondContact O-OG1 2.82Å; A17-F21 WeakPolarHBondContact O-CB 3.46Å; A17-F21 PolarHBondContact O-N 3.16Å |
| 18 | L | 84.5 | Confident | 77.2 | Confident | 106 Ų | 106 | 96.9 Ų | 96.9 | 56% | 0.555 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.1 | -39.1 | 176.5 | -70.9 | 171.6 | 0 | 0 | 0 | 111.9 | C14 A15 T20 F21 L22 | C14-L18 WeakPolarHBondContact O-CB 3.46Å; C14-L18 WeakPolarHBondContact O-CG 2.86Å; C14-L18 PolarHBondContact O-N 3.24Å; A15-L18 PolarHBondContact O-N 3.47Å; L18-T20 PolarHBondContact O-N 3.07Å; L18-F21 PolarHBondContact O-N 2.8Å; L18-L22 WeakPolarHBondContact O-CB 3.38Å; L18-L22 VanDerWaalsContact O-CG 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.45Å; L18-L22 PolarHBondContact O-N 2.76Å |
| 19 | S | 81 | Confident | 76.2 | Confident | 55 Ų | 55 | 97.2 Ų | 97.2 | 39% | 0.385 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 176.7 | 77.2 | 0 | 0 | 0 | 0 | 112.3 | A15 A16 A17 L22 I23 | A15-S19 WeakPolarHBondContact O-CB 3.28Å; A15-S19 PolarHBondContact O-N 3.13Å; A16-S19 PolarHBondContact O-N 3.31Å; A16-S19 PolarHBondContact O-OG 3.32Å; A17-S19 VanDerWaalsContact C-N 3.35Å; A17-S19 PolarHBondContact O-N 3.07Å; S19-L22 PolarHBondContact O-N 3.27Å; S19-I23 WeakPolarHBondContact O-CD1 3.42Å; S19-I23 WeakPolarHBondContact O-CG1 3.49Å; S19-I23 PolarHBondContact O-N 3.32Å |
| 20 | T | 77.6 | Confident | 74.8 | Confident | 89 Ų | 89 | 99.9 Ų | 99.9 | 55% | 0.546 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.7 | -37.4 | 178.3 | 58.3 | 0 | 0 | 0 | 0 | 111.8 | A16 A17 L18 R24 | A16-T20 WeakPolarHBondContact O-CG2 3.3Å; A16-T20 PolarHBondContact O-N 2.81Å; A16-T20 PolarHBondContact O-OG1 2.8Å; A17-T20 PolarHBondContact O-N 2.77Å; A17-T20 PolarHBondContact O-OG1 2.82Å; L18-T20 PolarHBondContact O-N 3.07Å; T20-R24 WeakPolarHBondContact O-CB 3.4Å; T20-R24 PolarHBondContact O-N 2.75Å |
| 21 | F | 77.8 | Confident | 73.2 | Confident | 138 Ų | 138 | 104.4 Ų | 104.4 | 61% | 0.605 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.7 | -44.9 | 174.8 | -163.7 | -93.4 | 0 | 0 | 0 | 111.7 | A17 L18 R24 N25 | A17-F21 WeakPolarHBondContact O-CB 3.46Å; A17-F21 PolarHBondContact O-N 3.16Å; L18-F21 PolarHBondContact O-N 2.8Å; F21-R24 PolarHBondContact O-N 3.36Å; F21-N25 WeakPolarHBondContact O-CB 3.33Å; F21-N25 PolarHBondContact O-N 2.82Å |
| 22 | L | 76.8 | Confident | 71.4 | Confident | 113 Ų | 113 | 105.2 Ų | 105.2 | 59% | 0.592 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.7 | -41.8 | 177.3 | -71.9 | 172.5 | 0 | 0 | 0 | 112.3 | L18 S19 N25 M26 | L18-L22 WeakPolarHBondContact O-CB 3.38Å; L18-L22 VanDerWaalsContact O-CG 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.45Å; L18-L22 PolarHBondContact O-N 2.76Å; S19-L22 PolarHBondContact O-N 3.27Å; L22-N25 PolarHBondContact O-N 3.18Å; L22-M26 WeakPolarHBondContact O-CB 3.28Å; L22-M26 VanDerWaalsContact O-CG 3.22Å; L22-M26 WeakPolarHBondContact O-CG 3.15Å; L22-M26 PolarHBondContact O-N 3.21Å |
| 23 | I | 76.5 | Confident | 69.2 | Low | 119 Ų | 119 | 110.8 Ų | 110.8 | 61% | 0.61 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.5 | -41.6 | 176.7 | -67 | 163.7 | 0 | 0 | 0 | 110.7 | S19 M26 A27 | S19-I23 WeakPolarHBondContact O-CD1 3.42Å; S19-I23 WeakPolarHBondContact O-CG1 3.49Å; S19-I23 PolarHBondContact O-N 3.32Å; I23-M26 PolarHBondContact O-N 2.84Å; I23-A27 PolarHBondContact O-N 2.03Å |
| 24 | R | 70.9 | Confident | 67.1 | Low | 208 Ų | 208 | 110.7 Ų | 110.7 | 79% | 0.785 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.6 | -35.5 | 179.8 | -161.3 | 172.2 | 177.7 | 155.9 | -1.4 | 112.3 | T20 F21 A27 S28 | T20-R24 WeakPolarHBondContact O-CB 3.4Å; T20-R24 PolarHBondContact O-N 2.75Å; F21-R24 PolarHBondContact O-N 3.36Å; R24-A27 PolarHBondContact O-N 2.79Å; R24-S28 PolarHBondContact O-N 2.87Å |
| 25 | N | 65.1 | Low | 65.1 | Low | 78 Ų | 78 | 115.8 Ų | 115.8 | 42% | 0.417 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -74.2 | -31.2 | 175.1 | -127 | -7.8 | 0 | 0 | 0 | 112.7 | F21 L22 S28 I29 | F21-N25 WeakPolarHBondContact O-CB 3.33Å; F21-N25 PolarHBondContact O-N 2.82Å; L22-N25 PolarHBondContact O-N 3.18Å; N25-S28 PolarHBondContact O-OG 2.95Å; N25-I29 WeakPolarHBondContact O-CD1 3.21Å; N25-I29 WeakPolarHBondContact O-CG1 3.27Å; N25-I29 PolarHBondContact O-N 2.92Å |
| 26 | M | 62 | Low | 63 | Low | 115 Ų | 115 | 116.8 Ų | 116.8 | 57% | 0.567 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -72.2 | -30.7 | 172.8 | -70.1 | -79.6 | 86.3 | 0 | 0 | 112.4 | L22 I23 I29 R30 | L22-M26 WeakPolarHBondContact O-CB 3.28Å; L22-M26 VanDerWaalsContact O-CG 3.22Å; L22-M26 WeakPolarHBondContact O-CG 3.15Å; L22-M26 PolarHBondContact O-N 3.21Å; I23-M26 PolarHBondContact O-N 2.84Å; M26-I29 HydrophobicContact CE-CB 4.42Å; M26-I29 HydrophobicContact CE-CD1 3.48Å; M26-I29 VanDerWaalsContact CE-CD1 3.48Å; M26-R30 PolarHBondContact O-N 3.48Å |
| 27 | A | 55.6 | Low | 60.5 | Low | 58 Ų | 58 | 123.2 Ų | 123.2 | 48% | 0.479 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.2 | -41.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I23 R24 R30 E31 | I23-A27 PolarHBondContact O-N 2.03Å; R24-A27 PolarHBondContact O-N 2.79Å; A27-R30 PolarHBondContact O-N 3.06Å; A27-E31 PolarHBondContact O-N 2.95Å |
| 28 | S | 54.8 | Low | 58 | Low | 50 Ų | 50 | 129.8 Ų | 129.8 | 35% | 0.35 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -68.6 | -35.5 | 177.3 | 62.4 | 0 | 0 | 0 | 0 | 113 | R24 N25 R30 E31 F32 | R24-S28 PolarHBondContact O-N 2.87Å; N25-S28 PolarHBondContact O-OG 2.95Å; S28-R30 VanDerWaalsContact C-N 3.28Å; S28-R30 PolarHBondContact O-N 2.95Å; S28-E31 PolarHBondContact O-N 2.89Å; S28-F32 PolarHBondContact O-N 2.8Å |
| 29 | I | 55.2 | Low | 55.8 | Low | 84 Ų | 84 | 131.1 Ų | 131.1 | 43% | 0.431 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -68.3 | -28.7 | 175.1 | -69.7 | 165.9 | 0 | 0 | 0 | 111.7 | N25 M26 R33 | N25-I29 WeakPolarHBondContact O-CD1 3.21Å; N25-I29 WeakPolarHBondContact O-CG1 3.27Å; N25-I29 PolarHBondContact O-N 2.92Å; M26-I29 HydrophobicContact CE-CB 4.42Å; M26-I29 HydrophobicContact CE-CD1 3.48Å; M26-I29 VanDerWaalsContact CE-CD1 3.48Å; I29-R33 PolarHBondContact O-N 3.11Å |
| 30 | R | 48.2 | Very low | 53.3 | Low | 202 Ų | 202 | 140 Ų | 140 | 76% | 0.762 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -72.3 | -31.8 | 176.5 | -160.1 | 175 | -175 | 179 | 1.3 | 112.4 | M26 A27 S28 | M26-R30 PolarHBondContact O-N 3.48Å; A27-R30 PolarHBondContact O-N 3.06Å; S28-R30 VanDerWaalsContact C-N 3.28Å; S28-R30 PolarHBondContact O-N 2.95Å |
| 31 | E | 48.2 | Very low | 51 | Low | 155 Ų | 155 | 140.7 Ų | 140.7 | 72% | 0.724 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -71.8 | -37.7 | 173.4 | -71.5 | -172.3 | 163.4 | 0 | 0 | 112.1 | A27 S28 R33 V34 | A27-E31 PolarHBondContact O-N 2.95Å; S28-E31 PolarHBondContact O-N 2.89Å; E31-R33 PolarHBondContact O-N 3.08Å; E31-V34 PolarHBondContact O-N 2.92Å |
| 32 | F | 44.1 | Very low | 48.8 | Very low | 173 Ų | 173 | 139.5 Ų | 139.5 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -68 | -31.9 | 176.6 | -100.9 | -87.1 | 0 | 0 | 0 | 113.9 | S28 V34 Q35 | S28-F32 PolarHBondContact O-N 2.8Å; F32-V34 VanDerWaalsContact C-N 3.28Å; F32-V34 PolarHBondContact O-N 2.05Å; F32-Q35 PolarHBondContact O-N 3.17Å |
| 33 | R | 42.5 | Very low | 46.6 | Very low | 216 Ų | 216 | 139.4 Ų | 139.4 | 82% | 0.815 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -73.9 | -12.6 | 178.1 | -95.1 | -170.4 | 179.2 | -174.3 | 1.9 | 114.8 | I29 E31 | I29-R33 PolarHBondContact O-N 3.11Å; E31-R33 PolarHBondContact O-N 3.08Å |
| 34 | V | 43.2 | Very low | 44.3 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 76% | 0.758 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -81.9 | -22.7 | 176.1 | 176.4 | 0 | 0 | 0 | 0 | 111.7 | E31 F32 | E31-V34 PolarHBondContact O-N 2.92Å; F32-V34 VanDerWaalsContact C-N 3.28Å; F32-V34 PolarHBondContact O-N 2.05Å |
| 35 | Q | 43.1 | Very low | 42.3 | Very low | 182 Ų | 182 | 136.5 Ų | 136.5 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -95.5 | -8.8 | -180 | -82.9 | -152.8 | 37.4 | 0 | 0 | 115.9 | F32 K37 | F32-Q35 PolarHBondContact O-N 3.17Å; Q35-K37 PolarHBondContact O-N 2.93Å |
| 36 | A | 41.9 | Very low | 40.6 | Very low | 83 Ų | 83 | 141.6 Ų | 141.6 | 69% | 0.686 | 75% | 0.746 | S | S | * | * | trans | -99.4 | 63.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 37 | K | 34.8 | Very low | 39.8 | Very low | 184 Ų | 184 | 141 Ų | 141 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | trans | -154.1 | 75.9 | 165.2 | -135.6 | 172.9 | -168.5 | 180 | 0 | 112.9 | Q35 | Q35-K37 PolarHBondContact O-N 2.93Š| ||
| 38 | H | 33.8 | Very low | 38.6 | Very low | 192 Ų | 192 | 143.4 Ų | 143.4 | 89% | 0.889 | 77% | 0.765 | S | S | * | * | trans | -171.4 | 113.4 | 140.7 | -86.2 | -37.5 | 0 | 0 | 0 | 111.2 | ||||
| 39 | P | 37.7 | Very low | 38.5 | Very low | 134 Ų | 134 | 146.5 Ų | 146.5 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 117 | 151.2 | 2.9 | 17.3 | 0 | 0 | 0 | 108.9 | ||
| 40 | R | 28.8 | Very low | 37.2 | Very low | 242 Ų | 242 | 151.8 Ų | 151.8 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 117.6 | 168.2 | 179.1 | 176.7 | -105.9 | -160.7 | -6.5 | 107.4 | ||
| 41 | A | 30.2 | Very low | 36.2 | Very low | 103 Ų | 103 | 147.1 Ų | 147.1 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 133 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 42 | S | 32.2 | Very low | 35.3 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -119.2 | 129.6 | 174.5 | 43.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 43 | S | 30.3 | Very low | 34.5 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -151.6 | 101.6 | 161.5 | 55.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 44 | T | 28.1 | Very low | 33.8 | Very low | 144 Ų | 144 | 138 Ų | 138 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | 76.6 | 110.5 | 92.3 | -48 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 45 | S | 29.5 | Very low | 33 | Very low | 121 Ų | 121 | 137 Ų | 137 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -170 | 121.2 | 140.9 | 54.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 46 | E | 29.1 | Very low | 32.3 | Very low | 186 Ų | 186 | 133.2 Ų | 133.2 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -99.1 | -179.8 | 167.3 | -100.8 | -172.8 | 159.4 | 0 | 0 | 109.7 | ||||
| 47 | P | 45.4 | Very low | 31.7 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 66% | 0.662 | 79% | 0.793 | S | S | * | * | cis | -140.8 | 174.5 | -35.2 | 38.4 | -20.2 | 0 | 0 | 0 | 115.9 | ||||
| 48 | S | 29.6 | Very low | 31.4 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | 80.9 | 166.5 | 147.4 | -59.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 49 | P | 53.3 | Low | 31.4 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | -138.8 | 177.3 | -64.8 | 40.8 | -23.4 | 0 | 0 | 0 | 113.7 | |||||
| 50 | K | 26.5 | Very low | 31 | Very low | 194 Ų | 194 | 130.1 Ų | 130.1 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | 171.2 | 110.5 | 150.8 | -95.1 | 160.6 | -173.4 | -174.7 | 0 | 109.7 | ||||
| 51 | S | 27.5 | Very low | 30.8 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | 47.2 | 132.6 | 93.6 | 66.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 52 | S | 28.9 | Very low | 31.1 | Very low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | cis | -178.4 | 152.9 | 13.6 | 41.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 53 | S | 28.1 | Very low | 30.9 | Very low | 93 Ų | 93 | 127.7 Ų | 127.7 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | trans | 59.5 | 120.3 | 137.8 | 59.3 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 54 | I | 26.9 | Very low | 30.6 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | 92 | 139.4 | 120.5 | -65.1 | 167.9 | 0 | 0 | 0 | 121.3 | |||||
| 55 | S | 28.4 | Very low | 30.8 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | 81.5 | 143.2 | 159.2 | -90.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 56 | S | 27.4 | Very low | 30.9 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | cis | 180 | 159.2 | -5.2 | 40.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 57 | A | 28.9 | Very low | 31.1 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | trans | 80.9 | 115.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 58 | E | 28.2 | Very low | 30.6 | Very low | 169 Ų | 169 | 138.2 Ų | 138.2 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -59.9 | 154.9 | 145.8 | -101.5 | -158.9 | 152.4 | 0 | 0 | 110.9 | ||||
| 59 | P | 33.5 | Very low | 31.2 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | -148.9 | 151.5 | 70.8 | 35.3 | -13.7 | 0 | 0 | 0 | 118.3 | |||||
| 60 | L | 29.9 | Very low | 30.4 | Very low | 148 Ų | 148 | 146.5 Ų | 146.5 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | 22.4 | 108.5 | 139.2 | -77.7 | 147.6 | 0 | 0 | 0 | 119.5 | ||||
| 61 | V | 25.2 | Very low | 31.2 | Very low | 139 Ų | 139 | 148.5 Ų | 148.5 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | -150.3 | 125.7 | 136 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 62 | L | 35.6 | Very low | 31.8 | Very low | 161 Ų | 161 | 152.8 Ų | 152.8 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -55.7 | 142.2 | 170.7 | -81.5 | 149.5 | 0 | 0 | 0 | 112.2 | ||||
| 63 | P | 28.1 | Very low | 32.6 | Very low | 109 Ų | 109 | 154.1 Ų | 154.1 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | trans | -140.1 | 120.7 | 135 | 24.6 | -4.1 | 0 | 0 | 0 | 113.3 | ||||
| 64 | W | 24.2 | Very low | 33.8 | Very low | 238 Ų | 238 | 160.6 Ų | 160.6 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | 55 | 113.6 | 127.7 | -65.7 | 13.9 | 0 | 0 | 0 | 118.1 | T66 | W64-T66 PolarHBondContact O-N 2.03Š| |||
| 65 | Q | 32 | Very low | 34.8 | Very low | 194 Ų | 194 | 158.1 Ų | 158.1 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | trans | -39.8 | 117.8 | 154.9 | -65.5 | -174.8 | -23.2 | 0 | 0 | 111.2 | ||||
| 66 | T | 31.9 | Very low | 36.2 | Very low | 130 Ų | 130 | 159.2 Ų | 159.2 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | trans | -129 | 99.8 | 143.1 | 19.4 | 0 | 0 | 0 | 0 | 106.9 | W64 N68 | W64-T66 PolarHBondContact O-N 2.03Å; T66-N68 PolarHBondContact O-N 3.48Å | ||
| 67 | E | 33.4 | Very low | 37.7 | Very low | 179 Ų | 179 | 155.9 Ų | 155.9 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -43.5 | 99.9 | 167.5 | -166 | 173.2 | -179 | 0 | 0 | 109.6 | L69 | E67-L69 PolarHBondContact O-N 3.45Š| ||
| 68 | N | 35.5 | Very low | 39.1 | Very low | 144 Ų | 144 | 158.7 Ų | 158.7 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -60.6 | 105.1 | 166.4 | -87.3 | -50.7 | 0 | 0 | 0 | 107.1 | T66 R70 | T66-N68 PolarHBondContact O-N 3.48Å; N68-R70 PolarHBondContact O-N 3.03Å | ||
| 69 | L | 41 | Very low | 40.7 | Very low | 169 Ų | 169 | 155.1 Ų | 155.1 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | trans | -59.4 | 71.7 | 161.3 | -83 | 159.3 | 0 | 0 | 0 | 109 | E67 R71 | E67-L69 PolarHBondContact O-N 3.45Å; L69-R71 VanDerWaalsContact C-N 3.31Å; L69-R71 PolarHBondContact O-N 3.35Å | ||
| 70 | R | 38.2 | Very low | 42.3 | Very low | 229 Ų | 229 | 155.3 Ų | 155.3 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -65.5 | 101.2 | 159.9 | -78.4 | -168.2 | 179 | -177.2 | 2 | 105.3 | N68 K72 | N68-R70 PolarHBondContact O-N 3.03Å; R70-K72 VanDerWaalsContact C-N 3.33Å; R70-K72 PolarHBondContact O-N 2.91Å | ||
| 71 | R | 41.6 | Very low | 44.2 | Very low | 235 Ų | 235 | 154.2 Ų | 154.2 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | trans | -46.7 | 102.8 | 164.1 | -150.3 | -177.5 | -63.5 | 167.7 | 0.2 | 106.6 | L69 T73 | L69-R71 VanDerWaalsContact C-N 3.31Å; L69-R71 PolarHBondContact O-N 3.35Å; R71-T73 PolarHBondContact O-N 3.05Å | ||
| 72 | K | 40.3 | Very low | 46.6 | Very low | 194 Ų | 194 | 150.2 Ų | 150.2 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | -62.2 | 100.7 | -178 | -174.8 | 166.5 | -176.2 | 169.8 | 0 | 107.1 | R70 R74 | R70-K72 VanDerWaalsContact C-N 3.33Å; R70-K72 PolarHBondContact O-N 2.91Å; K72-R74 PolarHBondContact O-N 2.88Å; K72-R74 VanDerWaalsContact O-N 3.12Å | ||
| 73 | T | 46.6 | Very low | 48.5 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | -58.4 | 117.1 | 169.4 | -38.6 | 0 | 0 | 0 | 0 | 106.1 | R71 S75 | R71-T73 PolarHBondContact O-N 3.05Å; T73-S75 PolarHBondContact O-N 2.97Å | ||
| 74 | R | 53.1 | Low | 50.9 | Low | 229 Ų | 229 | 145.5 Ų | 145.5 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | trans | -62.1 | 105.8 | 171.6 | -77.7 | -178.9 | 178.5 | 166.6 | -1 | 106.7 | K72 T76 | K72-R74 PolarHBondContact O-N 2.88Å; K72-R74 VanDerWaalsContact O-N 3.12Å; R74-T76 PolarHBondContact O-N 2.8Å | ||
| 75 | S | 47.4 | Very low | 53.4 | Low | 104 Ų | 104 | 137.2 Ų | 137.2 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | trans | -63.8 | 101.6 | 168.2 | -177.8 | 0 | 0 | 0 | 0 | 107.6 | T73 G77 | T73-S75 PolarHBondContact O-N 2.97Å; S75-G77 PolarHBondContact O-N 2.68Å | ||
| 76 | T | 58.2 | Low | 55.5 | Low | 129 Ų | 129 | 133.4 Ų | 133.4 | 79% | 0.791 | 68% | 0.679 | S | S | * | * | trans | -90.9 | 62.8 | 166.9 | 50.6 | 0 | 0 | 0 | 0 | 108.4 | R74 | R74-T76 PolarHBondContact O-N 2.8Š| ||
| 77 | G | 57.9 | Low | 57.7 | Low | 33 Ų | 33 | 132.7 Ų | 132.7 | 34% | 0.34 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -136.4 | 117.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | S75 N79 | S75-G77 PolarHBondContact O-N 2.68Å; G77-N79 VanDerWaalsContact C-N 3.33Å; G77-N79 PolarHBondContact O-N 2.81Å |
| 78 | N | 59 | Low | 59.9 | Low | 155 Ų | 155 | 127.1 Ų | 127.1 | 83% | 0.829 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 83.4 | -21.3 | 165.1 | -38.4 | -13.1 | 0 | 0 | 0 | 116.5 | M80 | N78-M80 VanDerWaalsContact C-N 3.35Å; N78-M80 PolarHBondContact O-N 3.37Å |
| 79 | N | 61.7 | Low | 62 | Low | 94 Ų | 94 | 124.8 Ų | 124.8 | 50% | 0.503 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -82.2 | -4.4 | 179.5 | -160.4 | 6.7 | 0 | 0 | 0 | 114.7 | G77 L83 | G77-N79 VanDerWaalsContact C-N 3.33Å; G77-N79 PolarHBondContact O-N 2.81Å; N79-L83 WeakPolarHBondContact O-CD1 3.48Å; N79-L83 VanDerWaalsContact O-CG 3.24Å; N79-L83 WeakPolarHBondContact O-CG 3.4Å; N79-L83 PolarHBondContact O-N 3.13Å |
| 80 | M | 67.4 | Low | 63.7 | Low | 118 Ų | 118 | 122 Ų | 122 | 58% | 0.581 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.9 | -34.8 | 178.7 | -64.7 | -61.5 | -69.4 | 0 | 0 | 111.4 | N78 L84 | N78-M80 VanDerWaalsContact C-N 3.35Å; N78-M80 PolarHBondContact O-N 3.37Å; M80-L84 WeakPolarHBondContact O-CB 3.29Å; M80-L84 WeakPolarHBondContact O-CG 3.35Å; M80-L84 PolarHBondContact O-N 3.08Å |
| 81 | N | 70.3 | Confident | 65.5 | Low | 125 Ų | 125 | 114.7 Ų | 114.7 | 67% | 0.668 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -72.9 | -38.6 | -177 | -61.3 | -17 | 0 | 0 | 0 | 111.9 | L84 S85 | N81-L84 PolarHBondContact O-N 3.15Å; N81-S85 PolarHBondContact O-N 2.77Å; N81-S85 PolarHBondContact O-OG 3.12Å |
| 82 | S | 75.6 | Confident | 67.1 | Low | 55 Ų | 55 | 110.3 Ų | 110.3 | 39% | 0.385 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.2 | -44.2 | 174.3 | -167.7 | 0 | 0 | 0 | 0 | 111.8 | S85 E86 | S82-S85 WeakPolarHBondContact CA-OG 3.46Å; S82-S85 PolarHBondContact O-N 2.87Å; S82-S85 PolarHBondContact O-OG 2.8Å; S82-E86 WeakPolarHBondContact O-CG 3Å; S82-E86 PolarHBondContact O-N 3.39Å |
| 83 | L | 76.2 | Confident | 68.8 | Low | 63 Ų | 63 | 105.7 Ų | 105.7 | 33% | 0.33 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65 | -43.6 | 176.2 | -67.9 | 174.9 | 0 | 0 | 0 | 111.2 | N79 S85 E86 F87 | N79-L83 WeakPolarHBondContact O-CD1 3.48Å; N79-L83 VanDerWaalsContact O-CG 3.24Å; N79-L83 WeakPolarHBondContact O-CG 3.4Å; N79-L83 PolarHBondContact O-N 3.13Å; L83-S85 VanDerWaalsContact C-N 3.29Å; L83-S85 PolarHBondContact O-N 3.26Å; L83-E86 PolarHBondContact O-N 3.3Å; L83-F87 HydrophobicContact CB-CD2 4.47Å; L83-F87 HydrophobicContact CB-CE2 4.44Å; L83-F87 WeakPolarHBondContact O-CD2 3.39Å; L83-F87 PolarHBondContact O-N 3.16Å |
| 84 | L | 77.4 | Confident | 70.4 | Confident | 107 Ų | 107 | 103.6 Ų | 103.6 | 56% | 0.56 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.4 | -35.5 | 177.2 | -72.5 | 172.9 | 0 | 0 | 0 | 112.3 | M80 N81 S88 | M80-L84 WeakPolarHBondContact O-CB 3.29Å; M80-L84 WeakPolarHBondContact O-CG 3.35Å; M80-L84 PolarHBondContact O-N 3.08Å; N81-L84 PolarHBondContact O-N 3.15Å; L84-S88 WeakPolarHBondContact O-CB 3.38Å; L84-S88 PolarHBondContact O-N 3.23Å |
| 85 | S | 76.1 | Confident | 72 | Confident | 65 Ų | 65 | 96.9 Ų | 96.9 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 172.8 | 49.9 | 0 | 0 | 0 | 0 | 112.7 | N81 S82 L83 F87 S88 V89 | N81-S85 PolarHBondContact O-N 2.77Å; N81-S85 PolarHBondContact O-OG 3.12Å; S82-S85 WeakPolarHBondContact CA-OG 3.46Å; S82-S85 PolarHBondContact O-N 2.87Å; S82-S85 PolarHBondContact O-OG 2.8Å; L83-S85 VanDerWaalsContact C-N 3.29Å; L83-S85 PolarHBondContact O-N 3.26Å; S85-F87 PolarHBondContact O-N 3.49Å; S85-S88 WeakPolarHBondContact O-CB 3.4Å; S85-S88 PolarHBondContact O-N 2.83Å; S85-V89 PolarHBondContact O-N 3.04Å |
| 86 | E | 76.7 | Confident | 73.6 | Confident | 113 Ų | 113 | 99.2 Ų | 99.2 | 53% | 0.528 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62 | -42.1 | 174.8 | -73.3 | 172.5 | -166.6 | 0 | 0 | 111.7 | S82 L83 | S82-E86 WeakPolarHBondContact O-CG 3Å; S82-E86 PolarHBondContact O-N 3.39Å; L83-E86 PolarHBondContact O-N 3.3Å |
| 87 | F | 78.7 | Confident | 74.8 | Confident | 116 Ų | 116 | 95.3 Ų | 95.3 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.8 | -33.9 | 174.8 | -77.2 | -70.2 | 0 | 0 | 0 | 112.9 | L83 S85 V89 M90 L91 | L83-F87 HydrophobicContact CB-CD2 4.47Å; L83-F87 HydrophobicContact CB-CE2 4.44Å; L83-F87 WeakPolarHBondContact O-CD2 3.39Å; L83-F87 PolarHBondContact O-N 3.16Å; S85-F87 PolarHBondContact O-N 3.49Å; F87-V89 VanDerWaalsContact C-N 3.32Å; F87-V89 PolarHBondContact O-N 3.41Å; F87-M90 HydrophobicContact CB-CE 4.44Å; F87-M90 HydrophobicContact CD1-CE 3.39Å; F87-M90 HydrophobicContact CE1-CE 3.75Å; F87-M90 HydrophobicContact CG-CE 4.06Å; F87-M90 PolarHBondContact O-N 3.46Å; F87-L91 WeakPolarHBondContact O-CG 3.42Å; F87-L91 PolarHBondContact O-N 3.05Å |
| 88 | S | 79.2 | Confident | 76.1 | Confident | 62 Ų | 62 | 98.4 Ų | 98.4 | 43% | 0.434 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -37.7 | 179.2 | -172.5 | 0 | 0 | 0 | 0 | 112.2 | L84 S85 M90 L91 Q92 | L84-S88 WeakPolarHBondContact O-CB 3.38Å; L84-S88 PolarHBondContact O-N 3.23Å; S85-S88 WeakPolarHBondContact O-CB 3.4Å; S85-S88 PolarHBondContact O-N 2.83Å; S88-M90 VanDerWaalsContact C-N 3.34Å; S88-L91 PolarHBondContact O-N 3.45Å; S88-Q92 WeakPolarHBondContact O-CG 3.2Å; S88-Q92 PolarHBondContact O-N 3.26Å |
| 89 | V | 79.1 | Confident | 77.4 | Confident | 95 Ų | 95 | 94.9 Ų | 94.9 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.1 | -37 | 178.6 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | S85 F87 L91 Q92 | S85-V89 PolarHBondContact O-N 3.04Å; F87-V89 VanDerWaalsContact C-N 3.32Å; F87-V89 PolarHBondContact O-N 3.41Å; V89-L91 VanDerWaalsContact C-N 3.27Å; V89-L91 PolarHBondContact O-N 3.35Å; V89-Q92 PolarHBondContact O-N 2.99Å |
| 90 | M | 77.7 | Confident | 78.5 | Confident | 109 Ų | 109 | 96 Ų | 96 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.3 | -24.6 | 176.2 | -67.5 | -174.4 | -74.1 | 0 | 0 | 113.2 | F87 S88 S93 F94 | F87-M90 HydrophobicContact CB-CE 4.44Å; F87-M90 HydrophobicContact CD1-CE 3.39Å; F87-M90 HydrophobicContact CE1-CE 3.75Å; F87-M90 HydrophobicContact CG-CE 4.06Å; F87-M90 PolarHBondContact O-N 3.46Å; S88-M90 VanDerWaalsContact C-N 3.34Å; M90-S93 PolarHBondContact O-OG 3.45Å; M90-F94 WeakPolarHBondContact O-CD2 3.48Å; M90-F94 VanDerWaalsContact O-CE2 3.31Å; M90-F94 WeakPolarHBondContact O-CE2 3.48Å |
| 91 | L | 75.2 | Confident | 79.5 | Confident | 76 Ų | 76 | 96.1 Ų | 96.1 | 40% | 0.398 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -87.2 | -11.2 | 179.4 | -67.3 | 172.6 | 0 | 0 | 0 | 113.4 | F87 S88 V89 S93 F94 L99 | F87-L91 WeakPolarHBondContact O-CG 3.42Å; F87-L91 PolarHBondContact O-N 3.05Å; S88-L91 PolarHBondContact O-N 3.45Å; V89-L91 VanDerWaalsContact C-N 3.27Å; V89-L91 PolarHBondContact O-N 3.35Å; L91-S93 PolarHBondContact O-N 2.85Å; L91-F94 HydrophobicContact CD2-CD2 4.18Å; L91-F94 HydrophobicContact CD2-CE2 4.15Å; L91-F94 PolarHBondContact O-N 3.33Å; L91-L99 HydrophobicContact CD2-CD1 4.43Å |
| 92 | Q | 75.9 | Confident | 80.3 | Confident | 143 Ų | 143 | 92.8 Ų | 92.8 | 67% | 0.668 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -21.8 | 178 | -76.3 | 169.1 | -3.6 | 0 | 0 | 113.3 | S88 V89 F94 | S88-Q92 WeakPolarHBondContact O-CG 3.2Å; S88-Q92 PolarHBondContact O-N 3.26Å; V89-Q92 PolarHBondContact O-N 2.99Å; Q92-F94 VanDerWaalsContact C-N 3.31Å |
| 93 | S | 74.7 | Confident | 81 | Confident | 98 Ų | 98 | 95.2 Ų | 95.2 | 69% | 0.685 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -5.5 | 178.5 | 62.9 | 0 | 0 | 0 | 0 | 114 | M90 L91 | M90-S93 PolarHBondContact O-OG 3.45Å; L91-S93 PolarHBondContact O-N 2.85Å |
| 94 | F | 80.6 | Confident | 81.7 | Confident | 87 Ų | 87 | 98 Ų | 98 | 38% | 0.382 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -84.5 | 138 | -177.4 | -75.1 | -105.7 | 0 | 0 | 0 | 110.4 | M90 L91 Q92 E98 | M90-F94 WeakPolarHBondContact O-CD2 3.48Å; M90-F94 VanDerWaalsContact O-CE2 3.31Å; M90-F94 WeakPolarHBondContact O-CE2 3.48Å; L91-F94 HydrophobicContact CD2-CD2 4.18Å; L91-F94 HydrophobicContact CD2-CE2 4.15Å; L91-F94 PolarHBondContact O-N 3.33Å; Q92-F94 VanDerWaalsContact C-N 3.31Å; F94-E98 HydrophobicContact CB-CB 4.45Å; F94-E98 HydrophobicContact CD1-CB 3.83Å |
| 95 | T | 87.6 | Confident | 82.4 | Confident | 87 Ų | 87 | 95.1 Ų | 95.1 | 53% | 0.534 | 51% | 0.506 | S | S | . | . | trans | -70.5 | 155.6 | 169.2 | 60.7 | 0 | 0 | 0 | 0 | 110.1 | G97 E98 L99 | T95-G97 PolarHBondContact O-N 2.84Å; T95-G97 VanDerWaalsContact O-N 3.12Å; T95-E98 PolarHBondContact N-OE2 2.96Å; T95-E98 PolarHBondContact O-N 2.89Å; T95-E98 WeakPolarHBondContact OG1-CG 3.45Å; T95-E98 PolarHBondContact OG1-OE2 3.34Å; T95-L99 PolarHBondContact O-N 3.3Å; T95-L99 VanDerWaalsContact O-N 3.12Å | ||
| 96 | E | 80.7 | Confident | 83.1 | Confident | 154 Ų | 154 | 97.7 Ų | 97.7 | 72% | 0.72 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -53.3 | -37.7 | -176.6 | -173.4 | 176.9 | 174.2 | 0 | 0 | 112.8 | Q100 | E96-Q100 VanDerWaalsContact O-CG 3.28Å; E96-Q100 WeakPolarHBondContact O-CG 3.38Å; E96-Q100 PolarHBondContact O-N 2.92Å; E96-Q100 VanDerWaalsContact O-N 3.13Å |
| 97 | G | 82.4 | Confident | 83.8 | Confident | 46 Ų | 46 | 97 Ų | 97 | 47% | 0.474 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.1 | -36.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T95 H101 | T95-G97 PolarHBondContact O-N 2.84Å; T95-G97 VanDerWaalsContact O-N 3.12Å; G97-H101 PolarHBondContact O-N 3Å; G97-H101 VanDerWaalsContact O-N 3.17Å |
| 98 | E | 85.1 | Confident | 84.4 | Confident | 98 Ų | 98 | 95.1 Ų | 95.1 | 46% | 0.458 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72 | -38.2 | 178 | -66 | 171.7 | 138.4 | 0 | 0 | 111.4 | F94 T95 H101 V102 | F94-E98 HydrophobicContact CB-CB 4.45Å; F94-E98 HydrophobicContact CD1-CB 3.83Å; T95-E98 PolarHBondContact N-OE2 2.96Å; T95-E98 PolarHBondContact O-N 2.89Å; T95-E98 WeakPolarHBondContact OG1-CG 3.45Å; T95-E98 PolarHBondContact OG1-OE2 3.34Å; E98-H101 PolarHBondContact O-N 3.18Å; E98-V102 WeakPolarHBondContact O-CG2 3.45Å; E98-V102 PolarHBondContact O-N 3.34Å |
| 99 | L | 86.7 | Confident | 84.9 | Confident | 81 Ų | 81 | 100 Ų | 100 | 42% | 0.424 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 176.3 | -176 | 63.3 | 0 | 0 | 0 | 111.4 | L91 T95 H101 V102 L103 | L91-L99 HydrophobicContact CD2-CD1 4.43Å; T95-L99 PolarHBondContact O-N 3.3Å; T95-L99 VanDerWaalsContact O-N 3.12Å; L99-H101 VanDerWaalsContact C-N 3.33Å; L99-H101 PolarHBondContact O-N 3.32Å; L99-V102 PolarHBondContact O-N 3.19Å; L99-L103 WeakPolarHBondContact O-CB 3Å; L99-L103 PolarHBondContact O-N 3.49Å |
| 100 | Q | 85.1 | Confident | 85.3 | Confident | 117 Ų | 117 | 101.4 Ų | 101.4 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 175.2 | -74.4 | 177.4 | 10.7 | 0 | 0 | 111.5 | E96 V102 L103 E104 | E96-Q100 VanDerWaalsContact O-CG 3.28Å; E96-Q100 WeakPolarHBondContact O-CG 3.38Å; E96-Q100 PolarHBondContact O-N 2.92Å; E96-Q100 VanDerWaalsContact O-N 3.13Å; Q100-V102 PolarHBondContact O-N 2.84Å; Q100-L103 PolarHBondContact O-N 3.38Å; Q100-E104 WeakPolarHBondContact O-CB 3.01Å; Q100-E104 PolarHBondContact O-N 2.94Å |
| 101 | H | 88.6 | Confident | 85.7 | Confident | 122 Ų | 122 | 105 Ų | 105 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.4 | -39.8 | 177.2 | -177.1 | -99.1 | 0 | 0 | 0 | 112.6 | G97 E98 L99 E104 T105 | G97-H101 PolarHBondContact O-N 3Å; G97-H101 VanDerWaalsContact O-N 3.17Å; E98-H101 PolarHBondContact O-N 3.18Å; L99-H101 VanDerWaalsContact C-N 3.33Å; L99-H101 PolarHBondContact O-N 3.32Å; H101-E104 PolarHBondContact O-N 2.84Å; H101-T105 WeakPolarHBondContact O-CB 3.18Å; H101-T105 VanDerWaalsContact O-CG2 3.25Å; H101-T105 WeakPolarHBondContact O-CG2 3.09Å; H101-T105 PolarHBondContact O-N 2.74Å; H101-T105 PolarHBondContact O-OG1 2.87Å |
| 102 | V | 88.1 | Confident | 86.1 | Confident | 54 Ų | 54 | 110.7 Ų | 110.7 | 33% | 0.327 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65 | -43 | 174.8 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | E98 L99 Q100 T105 M106 | E98-V102 WeakPolarHBondContact O-CG2 3.45Å; E98-V102 PolarHBondContact O-N 3.34Å; L99-V102 PolarHBondContact O-N 3.19Å; Q100-V102 PolarHBondContact O-N 2.84Å; V102-T105 WeakPolarHBondContact CA-OG1 3.47Å; V102-T105 PolarHBondContact O-N 2.85Å; V102-T105 PolarHBondContact O-OG1 3.33Å; V102-M106 HydrophobicContact CG1-CG 4.35Å; V102-M106 WeakPolarHBondContact O-CB 3.08Å; V102-M106 WeakPolarHBondContact O-CG 3.12Å; V102-M106 PolarHBondContact O-N 2.7Å |
| 103 | L | 90.3 | Very high | 86.3 | Confident | 107 Ų | 107 | 111.8 Ų | 111.8 | 56% | 0.56 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.1 | -44.5 | 177.2 | -176.6 | 61.2 | 0 | 0 | 0 | 111.1 | L99 Q100 M106 L107 | L99-L103 WeakPolarHBondContact O-CB 3Å; L99-L103 PolarHBondContact O-N 3.49Å; Q100-L103 PolarHBondContact O-N 3.38Å; L103-M106 PolarHBondContact O-N 3.48Å; L103-L107 HydrophobicContact CD1-CD1 4.38Å; L103-L107 HydrophobicContact CD1-CG 4.37Å; L103-L107 HydrophobicContact CG-CD1 4.11Å; L103-L107 WeakPolarHBondContact O-CB 3Å; L103-L107 VanDerWaalsContact O-CG 3.27Å; L103-L107 WeakPolarHBondContact O-CG 3.38Å; L103-L107 PolarHBondContact O-N 2.79Å |
| 104 | E | 90 | Very high | 86.5 | Confident | 120 Ų | 120 | 111.4 Ų | 111.4 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.1 | -44.2 | 178.5 | -172.1 | 176.1 | -177.8 | 0 | 0 | 112 | Q100 H101 M106 L107 N108 | Q100-E104 WeakPolarHBondContact O-CB 3.01Å; Q100-E104 PolarHBondContact O-N 2.94Å; H101-E104 PolarHBondContact O-N 2.84Å; E104-M106 PolarHBondContact O-N 3.3Å; E104-L107 PolarHBondContact O-N 3.28Å; E104-N108 WeakPolarHBondContact O-CB 2.98Å; E104-N108 PolarHBondContact O-N 3.21Å; E104-N108 PolarHBondContact O-ND2 3.43Å |
| 105 | T | 92.7 | Very high | 86.4 | Confident | 48 Ų | 48 | 113.8 Ų | 113.8 | 29% | 0.294 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 176.8 | 55.2 | 0 | 0 | 0 | 0 | 112.2 | H101 V102 R109 | H101-T105 WeakPolarHBondContact O-CB 3.18Å; H101-T105 VanDerWaalsContact O-CG2 3.25Å; H101-T105 WeakPolarHBondContact O-CG2 3.09Å; H101-T105 PolarHBondContact O-N 2.74Å; H101-T105 PolarHBondContact O-OG1 2.87Å; V102-T105 WeakPolarHBondContact CA-OG1 3.47Å; V102-T105 PolarHBondContact O-N 2.85Å; V102-T105 PolarHBondContact O-OG1 3.33Å; T105-R109 WeakPolarHBondContact O-CB 2.85Å; T105-R109 WeakPolarHBondContact O-CG 3.42Å; T105-R109 PolarHBondContact O-N 3.36Å |
| 106 | M | 90.4 | Very high | 85.4 | Confident | 118 Ų | 118 | 112.9 Ų | 112.9 | 58% | 0.581 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.9 | -44.3 | 174.6 | -74.5 | -95.6 | -85.8 | 0 | 0 | 111.8 | V102 L103 E104 R109 K110 | V102-M106 HydrophobicContact CG1-CG 4.35Å; V102-M106 WeakPolarHBondContact O-CB 3.08Å; V102-M106 WeakPolarHBondContact O-CG 3.12Å; V102-M106 PolarHBondContact O-N 2.7Å; L103-M106 PolarHBondContact O-N 3.48Å; E104-M106 PolarHBondContact O-N 3.3Å; M106-R109 PolarHBondContact O-N 3.39Å; M106-K110 WeakPolarHBondContact O-CB 3.35Å; M106-K110 PolarHBondContact O-N 3.35Å |
| 107 | L | 91.9 | Very high | 84.8 | Confident | 100 Ų | 100 | 109.9 Ų | 109.9 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 176.7 | -72 | 175 | 0 | 0 | 0 | 111.7 | L103 E104 R109 K110 R111 | L103-L107 HydrophobicContact CD1-CD1 4.38Å; L103-L107 HydrophobicContact CD1-CG 4.37Å; L103-L107 HydrophobicContact CG-CD1 4.11Å; L103-L107 WeakPolarHBondContact O-CB 3Å; L103-L107 VanDerWaalsContact O-CG 3.27Å; L103-L107 WeakPolarHBondContact O-CG 3.38Å; L103-L107 PolarHBondContact O-N 2.79Å; E104-L107 PolarHBondContact O-N 3.28Å; L107-R109 PolarHBondContact O-N 2.95Å; L107-K110 PolarHBondContact O-N 3.05Å; L107-R111 WeakPolarHBondContact O-CB 3.31Å; L107-R111 PolarHBondContact O-N 3.39Å |
| 108 | N | 90.6 | Very high | 83.8 | Confident | 76 Ų | 76 | 109.5 Ų | 109.5 | 41% | 0.406 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 174.9 | -82.8 | -34.3 | 0 | 0 | 0 | 112.2 | E104 K110 R111 R112 | E104-N108 WeakPolarHBondContact O-CB 2.98Å; E104-N108 PolarHBondContact O-N 3.21Å; E104-N108 PolarHBondContact O-ND2 3.43Å; N108-K110 VanDerWaalsContact C-N 3.35Å; N108-R111 PolarHBondContact O-N 3Å; N108-R112 WeakPolarHBondContact O-CG 3.47Å; N108-R112 PolarHBondContact O-N 3.05Å |
| 109 | R | 89.5 | Confident | 82.7 | Confident | 163 Ų | 163 | 111.7 Ų | 111.7 | 62% | 0.615 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.9 | -36.9 | 173.7 | -77.1 | 177.2 | 178.3 | 175 | 1.1 | 112.3 | T105 M106 L107 R113 | T105-R109 WeakPolarHBondContact O-CB 2.85Å; T105-R109 WeakPolarHBondContact O-CG 3.42Å; T105-R109 PolarHBondContact O-N 3.36Å; M106-R109 PolarHBondContact O-N 3.39Å; L107-R109 PolarHBondContact O-N 2.95Å; R109-R113 PolarHBondContact O-N 3.22Å; R109-R113 VanDerWaalsContact O-N 3.12Å |
| 110 | K | 87.8 | Confident | 81.4 | Confident | 126 Ų | 126 | 111.3 Ų | 111.3 | 55% | 0.548 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.9 | -47.6 | 174.6 | -176.1 | 177 | 178 | 179 | 0 | 111.1 | M106 L107 N108 R112 R113 D114 | M106-K110 WeakPolarHBondContact O-CB 3.35Å; M106-K110 PolarHBondContact O-N 3.35Å; L107-K110 PolarHBondContact O-N 3.05Å; N108-K110 VanDerWaalsContact C-N 3.35Å; K110-R112 VanDerWaalsContact C-N 3.34Å; K110-R112 PolarHBondContact O-N 3.12Å; K110-R113 CarbonylContact O-C 3.59Å; K110-R113 WeakPolarHBondContact O-CA 3.42Å; K110-R113 WeakPolarHBondContact O-CB 3.46Å; K110-R113 PolarHBondContact O-N 2.91Å; K110-D114 PolarHBondContact O-N 2.96Å |
| 111 | R | 85.8 | Confident | 80 | Confident | 183 Ų | 183 | 112 Ų | 112 | 69% | 0.691 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -57 | -44.2 | 177.1 | -170.6 | 177.5 | -176 | 172.2 | 1.9 | 112.4 | L107 N108 D114 Q115 | L107-R111 WeakPolarHBondContact O-CB 3.31Å; L107-R111 PolarHBondContact O-N 3.39Å; N108-R111 PolarHBondContact O-N 3Å; R111-D114 PolarHBondContact O-N 2.83Å; R111-Q115 VanDerWaalsContact O-CB 3.31Å; R111-Q115 WeakPolarHBondContact O-CB 3.28Å; R111-Q115 PolarHBondContact O-N 3.34Å |
| 112 | R | 83.4 | Confident | 78.5 | Confident | 197 Ų | 197 | 110.5 Ų | 110.5 | 74% | 0.743 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.8 | -40.2 | 175 | -71.6 | -176.3 | -170.3 | -157.8 | 3 | 112.3 | N108 K110 S116 | N108-R112 WeakPolarHBondContact O-CG 3.47Å; N108-R112 PolarHBondContact O-N 3.05Å; K110-R112 VanDerWaalsContact C-N 3.34Å; K110-R112 PolarHBondContact O-N 3.12Å; R112-S116 WeakPolarHBondContact O-CB 3.49Å; R112-S116 PolarHBondContact O-N 3.42Å |
| 113 | R | 80.6 | Confident | 76.9 | Confident | 166 Ų | 166 | 116.5 Ų | 116.5 | 63% | 0.626 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.2 | -48.1 | 174.6 | -95 | -173.5 | -92.2 | 170.2 | -9.5 | 111.6 | R109 K110 Q115 S116 L117 | R109-R113 PolarHBondContact O-N 3.22Å; R109-R113 VanDerWaalsContact O-N 3.12Å; K110-R113 CarbonylContact O-C 3.59Å; K110-R113 WeakPolarHBondContact O-CA 3.42Å; K110-R113 WeakPolarHBondContact O-CB 3.46Å; K110-R113 PolarHBondContact O-N 2.91Å; R113-Q115 VanDerWaalsContact C-N 3.3Å; R113-Q115 PolarHBondContact O-N 3.5Å; R113-S116 PolarHBondContact O-N 3.37Å; R113-L117 WeakPolarHBondContact O-CB 3.41Å; R113-L117 WeakPolarHBondContact O-CG 3.41Å; R113-L117 PolarHBondContact O-N 3.39Å |
| 114 | D | 77.8 | Confident | 75.2 | Confident | 89 Ų | 89 | 121.8 Ų | 121.8 | 48% | 0.476 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.4 | -37.7 | -179.5 | -66.2 | -17.6 | 0 | 0 | 0 | 111.5 | K110 R111 L117 G118 | K110-D114 PolarHBondContact O-N 2.96Å; R111-D114 PolarHBondContact O-N 2.83Å; D114-L117 PolarHBondContact O-N 3.37Å; D114-G118 PolarHBondContact O-N 3.45Å |
| 115 | Q | 78.4 | Confident | 73.5 | Confident | 138 Ų | 138 | 120.7 Ų | 120.7 | 65% | 0.645 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.3 | -40 | 175.4 | -161.8 | 169.9 | 22.1 | 0 | 0 | 112.4 | R111 R113 M119 | R111-Q115 VanDerWaalsContact O-CB 3.31Å; R111-Q115 WeakPolarHBondContact O-CB 3.28Å; R111-Q115 PolarHBondContact O-N 3.34Å; R113-Q115 VanDerWaalsContact C-N 3.3Å; R113-Q115 PolarHBondContact O-N 3.5Å; Q115-M119 PolarHBondContact O-N 3.37Å |
| 116 | S | 68.4 | Low | 71.7 | Confident | 68 Ų | 68 | 127 Ų | 127 | 48% | 0.476 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68 | -40.8 | 174.3 | -176.4 | 0 | 0 | 0 | 0 | 112.1 | R112 R113 M119 T120 | R112-S116 WeakPolarHBondContact O-CB 3.49Å; R112-S116 PolarHBondContact O-N 3.42Å; R113-S116 PolarHBondContact O-N 3.37Å; S116-M119 PolarHBondContact O-N 2.94Å; S116-T120 WeakPolarHBondContact O-CB 3.26Å; S116-T120 VanDerWaalsContact O-CG2 3.27Å; S116-T120 WeakPolarHBondContact O-CG2 3.4Å; S116-T120 PolarHBondContact O-N 2.89Å; S116-T120 PolarHBondContact O-OG1 3.18Å |
| 117 | L | 67.7 | Low | 70 | Confident | 91 Ų | 91 | 131 Ų | 131 | 48% | 0.476 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.8 | -43.7 | 176.8 | -70.5 | 171.3 | 0 | 0 | 0 | 111.2 | R113 D114 M119 T120 Q121 | R113-L117 WeakPolarHBondContact O-CB 3.41Å; R113-L117 WeakPolarHBondContact O-CG 3.41Å; R113-L117 PolarHBondContact O-N 3.39Å; D114-L117 PolarHBondContact O-N 3.37Å; L117-M119 VanDerWaalsContact C-N 3.29Å; L117-M119 PolarHBondContact O-N 3.39Å; L117-T120 WeakPolarHBondContact CA-OG1 3.47Å; L117-T120 PolarHBondContact O-N 3.48Å; L117-T120 PolarHBondContact O-OG1 3.44Å; L117-Q121 WeakPolarHBondContact O-CB 3.27Å; L117-Q121 PolarHBondContact O-N 3.37Å |
| 118 | G | 62 | Low | 68.4 | Low | 38 Ų | 38 | 129.7 Ų | 129.7 | 39% | 0.392 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -59.4 | -37.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | D114 T122 | D114-G118 PolarHBondContact O-N 3.45Å; G118-T122 WeakPolarHBondContact O-CG2 3.35Å; G118-T122 PolarHBondContact O-N 3.21Å; G118-T122 PolarHBondContact O-OG1 2.7Å |
| 119 | M | 60.7 | Low | 66.8 | Low | 143 Ų | 143 | 134.7 Ų | 134.7 | 70% | 0.704 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -83.5 | -30.9 | -178.6 | -154.2 | 158.5 | 65.6 | 0 | 0 | 113.3 | Q115 S116 L117 T122 | Q115-M119 PolarHBondContact O-N 3.37Å; S116-M119 PolarHBondContact O-N 2.94Å; L117-M119 VanDerWaalsContact C-N 3.29Å; L117-M119 PolarHBondContact O-N 3.39Å; M119-T122 PolarHBondContact O-OG1 3.03Å |
| 120 | T | 59.2 | Low | 65.7 | Low | 73 Ų | 73 | 135.8 Ų | 135.8 | 45% | 0.448 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -82.2 | -35.5 | 177 | 53.5 | 0 | 0 | 0 | 0 | 112.5 | S116 L117 R123 R124 | S116-T120 WeakPolarHBondContact O-CB 3.26Å; S116-T120 VanDerWaalsContact O-CG2 3.27Å; S116-T120 WeakPolarHBondContact O-CG2 3.4Å; S116-T120 PolarHBondContact O-N 2.89Å; S116-T120 PolarHBondContact O-OG1 3.18Å; L117-T120 WeakPolarHBondContact CA-OG1 3.47Å; L117-T120 PolarHBondContact O-N 3.48Å; L117-T120 PolarHBondContact O-OG1 3.44Å; T120-R123 PolarHBondContact O-N 2.87Å; T120-R124 VanDerWaalsContact O-CB 3.31Å; T120-R124 WeakPolarHBondContact O-CB 3.07Å; T120-R124 PolarHBondContact O-N 2.89Å |
| 121 | Q | 56.9 | Low | 64.9 | Low | 132 Ų | 132 | 132.9 Ų | 132.9 | 62% | 0.617 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73 | -34.4 | -178.4 | -157.9 | 168.8 | 18.2 | 0 | 0 | 111.9 | L117 T125 | L117-Q121 WeakPolarHBondContact O-CB 3.27Å; L117-Q121 PolarHBondContact O-N 3.37Å; Q121-T125 WeakPolarHBondContact O-CG2 3.35Å; Q121-T125 PolarHBondContact O-N 3.35Å; Q121-T125 PolarHBondContact O-OG1 3.47Å |
| 122 | T | 55.9 | Low | 64.9 | Low | 90 Ų | 90 | 132.1 Ų | 132.1 | 55% | 0.552 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.1 | -30.4 | 172.2 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | G118 M119 | G118-T122 WeakPolarHBondContact O-CG2 3.35Å; G118-T122 PolarHBondContact O-N 3.21Å; G118-T122 PolarHBondContact O-OG1 2.7Å; M119-T122 PolarHBondContact O-OG1 3.03Å |
| 123 | R | 54.5 | Low | 65.1 | Low | 181 Ų | 181 | 127 Ų | 127 | 68% | 0.683 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -85.1 | -32.8 | -179.6 | -145.9 | 173.7 | -172.7 | 179.6 | 1.6 | 112.9 | T120 | T120-R123 PolarHBondContact O-N 2.87Å |
| 124 | R | 54.3 | Low | 65.6 | Low | 217 Ų | 217 | 120.5 Ų | 120.5 | 82% | 0.819 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -79.7 | -32.4 | -178.4 | -156.4 | 172.4 | -172.6 | 158.9 | 1.4 | 113 | T120 | T120-R124 VanDerWaalsContact O-CB 3.31Å; T120-R124 WeakPolarHBondContact O-CB 3.07Å; T120-R124 PolarHBondContact O-N 2.89Å |
| 125 | T | 55.6 | Low | 66.3 | Low | 97 Ų | 97 | 117.8 Ų | 117.8 | 60% | 0.595 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -80.7 | -25.3 | 180 | 53.2 | 0 | 0 | 0 | 0 | 114 | Q121 | Q121-T125 WeakPolarHBondContact O-CG2 3.35Å; Q121-T125 PolarHBondContact O-N 3.35Å; Q121-T125 PolarHBondContact O-OG1 3.47Å |
| 126 | K | 54.3 | Low | 67.1 | Low | 181 Ų | 181 | 114.1 Ų | 114.1 | 79% | 0.787 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -75.8 | -23.4 | 176.9 | -92.6 | -177.3 | 175.5 | 178.3 | 0 | 114.8 | ||
| 127 | R | 55.3 | Low | 68.3 | Low | 203 Ų | 203 | 114.3 Ų | 114.3 | 77% | 0.766 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -84.1 | -18.1 | -179.3 | -76.7 | -178 | -178.2 | 171.9 | -0.8 | 113.8 | ||
| 128 | A | 57 | Low | 69.6 | Low | 72 Ų | 72 | 116.1 Ų | 116.1 | 60% | 0.595 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -83.2 | -13.1 | -169 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 129 | H | 58.4 | Low | 71.1 | Confident | 180 Ų | 180 | 118.5 Ų | 118.5 | 83% | 0.833 | 57% | 0.567 | S | S | * | * | trans | -151.3 | 31.6 | -171.8 | -101.9 | -74.3 | 0 | 0 | 0 | 115.9 | S131 | H129-S131 PolarHBondContact O-N 3.35Å; H129-S131 VanDerWaalsContact O-N 3.15Å | ||
| 130 | K | 65.9 | Low | 72.7 | Confident | 186 Ų | 186 | 118.6 Ų | 118.6 | 81% | 0.809 | 57% | 0.566 | S | S | * | * | trans | -75.4 | 106.8 | 164.7 | -164.5 | 173.6 | -175.7 | -177.4 | 0 | 107.9 | R132 | K130-R132 PolarHBondContact O-N 3.23Å; K130-R132 VanDerWaalsContact O-N 3.08Å | ||
| 131 | S | 71.4 | Confident | 74.3 | Confident | 66 Ų | 66 | 115.9 Ų | 115.9 | 46% | 0.462 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 116.8 | 173.1 | 46.3 | 0 | 0 | 0 | 0 | 109.2 | H129 Q164 | H129-S131 PolarHBondContact O-N 3.35Å; H129-S131 VanDerWaalsContact O-N 3.15Å; S131-Q164 VanDerWaalsContact CB-CD 3.5Å |
| 132 | R | 84.4 | Confident | 76 | Confident | 166 Ų | 166 | 111 Ų | 111 | 63% | 0.626 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -79.5 | 137.2 | 175.7 | -64.5 | -95.2 | -175.2 | 158.6 | 2.1 | 107.3 | K130 G163 Q164 | K130-R132 PolarHBondContact O-N 3.23Å; K130-R132 VanDerWaalsContact O-N 3.08Å; R132-G163 WeakPolarHBondContact O-CA 3.41Å; R132-Q164 PolarHBondContact O-N 3.43Å |
| 133 | P | 88 | Confident | 77.7 | Confident | 89 Ų | 89 | 106.8 Ų | 106.8 | 58% | 0.578 | 50% | 0.502 | S | S | * | . | B | Isolated β-bridge | trans | -62.9 | 156.4 | 172.7 | 28.7 | -34.7 | 0 | 0 | 0 | 110.2 | S135 | P133-S135 PolarHBondContact O-N 3.47Å; P133-S135 PolarHBondContact O-OG 3.34Å |
| 134 | C | 91.6 | Very high | 79.4 | Confident | 31 Ų | 31 | 101 Ų | 101 | 21% | 0.209 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -50.1 | 116.7 | 173 | -179.8 | 0 | 0 | 0 | 0 | 110 | Q164 C195 | C134-Q164 PolarHBondContact N-O 3.3Å; C134-C195 WeakPolarHBondContact CA-SG 3.31Å; C134-C195 HydrophobicContact CB-CB 3.79Å; C134-C195 WeakPolarHBondContact CB-SG 3.47Å; C134-C195 VanDerWaalsContact SG-CA 3.6Å; C134-C195 WeakPolarHBondContact SG-CB 3.39Å; C134-C195 CovalentContact SG-SG 2.05Å; C134-C195 PolarHBondContact SG-SG 3.04Å |
| 135 | S | 92.5 | Very high | 81.2 | Confident | 31 Ų | 31 | 97.1 Ų | 97.1 | 22% | 0.217 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 154.8 | -172.9 | 44.8 | 0 | 0 | 0 | 0 | 111.1 | P133 R137 S162 | P133-S135 PolarHBondContact O-N 3.47Å; P133-S135 PolarHBondContact O-OG 3.34Å; S135-R137 PolarHBondContact OG-NH2 2.89Å; S135-S162 PolarHBondContact N-O 3.36Å; S135-S162 PolarHBondContact O-N 3.38Å; S135-S162 VanDerWaalsContact O-N 3.17Å; S135-S162 VanDerWaalsContact O-O 3.1Å |
| 136 | L | 95.1 | Very high | 82.8 | Confident | 61 Ų | 61 | 94 Ų | 94 | 32% | 0.319 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 135.8 | 174.5 | -165.1 | 66.3 | 0 | 0 | 0 | 110 | Q159 A220 K221 C223 | L136-Q159 HydrophobicContact CD1-CB 4.1Å; L136-Q159 HydrophobicContact CG-CB 4.35Å; L136-A220 HydrophobicContact CD1-CB 3.97Å; L136-A220 WeakPolarHBondContact CD1-O 3.45Å; L136-K221 WeakPolarHBondContact CD2-O 3.33Å; L136-C223 WeakPolarHBondContact CD1-SG 3.44Å |
| 137 | R | 94.5 | Very high | 84.4 | Confident | 72 Ų | 72 | 88.7 Ų | 88.7 | 27% | 0.272 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 154.8 | 176.2 | -61.3 | -62.2 | 172.7 | -174.1 | -17.1 | 109.3 | S135 Q159 Y160 S162 | S135-R137 PolarHBondContact OG-NH2 2.89Å; R137-Q159 CarbonylContact O-C 3.44Å; R137-Q159 WeakPolarHBondContact O-CA 3.48Å; R137-Y160 HydrophobicContact CB-CD1 3.77Å; R137-Y160 HydrophobicContact CB-CD2 4.23Å; R137-Y160 HydrophobicContact CB-CE1 3.31Å; R137-Y160 HydrophobicContact CB-CE2 3.86Å; R137-Y160 HydrophobicContact CB-CG 4.19Å; R137-Y160 HydrophobicContact CG-CE1 4.34Å; R137-Y160 HydrophobicContact CG-CE2 4.09Å; R137-Y160 PolarHBondContact N-O 3.29Å; R137-Y160 PolarHBondContact O-N 3.22Å; R137-S162 WeakPolarHBondContact CG-OG 3.42Å |
| 138 | K | 94.4 | Very high | 85.9 | Confident | 130 Ų | 130 | 83.5 Ų | 83.5 | 57% | 0.565 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 138.9 | 176.5 | -56.3 | -169.5 | 171.4 | -164 | 0 | 108.5 | Q157 L158 Q159 | K138-Q157 HydrophobicContact CB-CG 4.43Å; K138-L158 CarbonylContact C-O 3.54Å; K138-L158 WeakPolarHBondContact CA-O 3.35Å; K138-Q159 HydrophobicContact CG-CG 4.25Å |
| 139 | L | 94.2 | Very high | 87.3 | Confident | 87 Ų | 87 | 83.6 Ų | 83.6 | 46% | 0.455 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 131.4 | 176.2 | -177.6 | 63.1 | 0 | 0 | 0 | 107.7 | L141 Q157 L158 Y160 | L139-L141 HydrophobicContact CB-CD2 3.98Å; L139-L141 HydrophobicContact CD2-CD2 3.6Å; L139-L141 HydrophobicContact CG-CD2 3.58Å; L139-Q157 CarbonylContact O-C 3.58Å; L139-L158 PolarHBondContact N-O 3.27Å; L139-L158 PolarHBondContact O-N 3.39Å; L139-Y160 HydrophobicContact CB-CD1 4.24Å; L139-Y160 HydrophobicContact CB-CE1 3.89Å |
| 140 | E | 94.3 | Very high | 88.6 | Confident | 146 Ų | 146 | 78.2 Ų | 78.2 | 68% | 0.682 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 130 | 170.9 | -72.1 | 171.3 | -171.3 | 0 | 0 | 108 | I156 | E140-I156 WeakPolarHBondContact CA-O 3.34Å |
| 141 | L | 92.7 | Very high | 89.6 | Confident | 16 Ų | 16 | 75.9 Ų | 75.9 | 8% | 0.084 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 163.3 | -178.2 | 51.7 | 122.6 | 0 | 0 | 0 | 110.2 | L139 E145 L146 I156 L158 | L139-L141 HydrophobicContact CB-CD2 3.98Å; L139-L141 HydrophobicContact CD2-CD2 3.6Å; L139-L141 HydrophobicContact CG-CD2 3.58Å; L141-E145 VanDerWaalsContact CA-OE2 3.27Å; L141-E145 WeakPolarHBondContact CA-OE2 3.31Å; L141-E145 HydrophobicContact CB-CB 4.17Å; L141-E145 WeakPolarHBondContact CB-OE2 3.27Å; L141-E145 HydrophobicContact CD1-CB 4.34Å; L141-L146 HydrophobicContact CD1-CD2 3.51Å; L141-L146 HydrophobicContact CD1-CG 3.77Å; L141-I156 HydrophobicContact CD1-CD1 4.28Å; L141-I156 HydrophobicContact CD1-CG1 4.29Å; L141-I156 HydrophobicContact CG-CG1 4.31Å; L141-I156 PolarHBondContact N-O 3.22Å; L141-I156 VanDerWaalsContact N-O 3.07Å; L141-I156 VanDerWaalsContact O-CG1 3.28Å; L141-I156 WeakPolarHBondContact O-CG1 3.22Å; L141-I156 PolarHBondContact O-N 2.9Å; L141-L158 HydrophobicContact CD2-CB 3.46Å; L141-L158 VanDerWaalsContact CD2-CB 3.46Å; L141-L158 HydrophobicContact CD2-CD2 3.76Å; L141-L158 HydrophobicContact CD2-CG 4.24Å; L141-L158 HydrophobicContact CG-CB 4.23Å |
| 142 | T | 92.4 | Very high | 90.4 | Very high | 30 Ų | 30 | 73.4 Ų | 73.4 | 18% | 0.184 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 161.1 | 174.6 | 61.2 | 0 | 0 | 0 | 0 | 111.6 | T144 E145 E154 T155 | T142-T144 PolarHBondContact O-N 2.96Å; T142-T144 PolarHBondContact OG1-OG1 3.49Å; T142-E145 PolarHBondContact N-OE2 3.32Å; T142-E145 PolarHBondContact O-N 2.88Å; T142-E145 VanDerWaalsContact O-N 3.13Å; T142-E145 WeakPolarHBondContact OG1-CG 3.22Å; T142-E145 PolarHBondContact OG1-N 3.29Å; T142-E154 WeakPolarHBondContact CA-O 3.47Å; T142-T155 HydrophobicContact CG2-CG2 4.32Å |
| 143 | V | 90.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -34.4 | 174.6 | 173.5 | 0 | 0 | 0 | 0 | 112 | E145 L146 F150 E154 I156 Y206 I215 | V143-E145 VanDerWaalsContact C-N 3.35Å; V143-E145 PolarHBondContact O-N 3Å; V143-L146 WeakPolarHBondContact O-CB 3.35Å; V143-L146 PolarHBondContact O-N 3.45Å; V143-F150 HydrophobicContact CG1-CB 3.57Å; V143-F150 HydrophobicContact CG1-CD2 4.37Å; V143-F150 HydrophobicContact CG1-CG 4.36Å; V143-E154 HydrophobicContact CG2-CB 4.24Å; V143-E154 PolarHBondContact N-O 2.98Å; V143-I156 HydrophobicContact CG2-CG2 3.78Å; V143-Y206 HydrophobicContact CB-CD2 4.38Å; V143-Y206 HydrophobicContact CG1-CD1 4.26Å; V143-Y206 HydrophobicContact CG1-CD2 3.77Å; V143-Y206 HydrophobicContact CG1-CE1 4.34Å; V143-Y206 HydrophobicContact CG1-CE2 3.84Å; V143-Y206 HydrophobicContact CG1-CG 3.99Å; V143-Y206 HydrophobicContact CG2-CD2 4.14Å; V143-Y206 HydrophobicContact CG2-CG 3.94Å; V143-I215 HydrophobicContact CG1-CD1 4.2Å |
| 144 | T | 91.4 | Very high | 90.6 | Very high | 61 Ų | 61 | 72 Ų | 72 | 37% | 0.374 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -62.7 | -38.1 | 174.3 | 43.6 | 0 | 0 | 0 | 0 | 112.9 | T142 L146 G147 F150 S152 | T142-T144 PolarHBondContact O-N 2.96Å; T142-T144 PolarHBondContact OG1-OG1 3.49Å; T144-L146 PolarHBondContact O-N 3.3Å; T144-G147 PolarHBondContact O-N 2.94Å; T144-F150 WeakPolarHBondContact CA-O 3.22Å; T144-F150 WeakPolarHBondContact CG2-O 3.29Å; T144-S152 WeakPolarHBondContact CG2-O 3.21Å; T144-S152 PolarHBondContact N-O 2.94Å |
| 145 | E | 91.8 | Very high | 90.6 | Very high | 134 Ų | 134 | 75.9 Ų | 75.9 | 63% | 0.626 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -69.4 | -14 | -179.8 | -75.3 | 172.3 | 168.7 | 0 | 0 | 113.7 | L141 T142 V143 G147 | L141-E145 VanDerWaalsContact CA-OE2 3.27Å; L141-E145 WeakPolarHBondContact CA-OE2 3.31Å; L141-E145 HydrophobicContact CB-CB 4.17Å; L141-E145 WeakPolarHBondContact CB-OE2 3.27Å; L141-E145 HydrophobicContact CD1-CB 4.34Å; T142-E145 PolarHBondContact N-OE2 3.32Å; T142-E145 PolarHBondContact O-N 2.88Å; T142-E145 VanDerWaalsContact O-N 3.13Å; T142-E145 WeakPolarHBondContact OG1-CG 3.22Å; T142-E145 PolarHBondContact OG1-N 3.29Å; V143-E145 VanDerWaalsContact C-N 3.35Å; V143-E145 PolarHBondContact O-N 3Å; E145-G147 PolarHBondContact O-N 3.01Å |
| 146 | L | 89.4 | Confident | 90.5 | Very high | 33 Ų | 33 | 75 Ų | 75 | 17% | 0.173 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -64.2 | -20.8 | 171.3 | -72.1 | 174.3 | 0 | 0 | 0 | 113 | L141 V143 T144 L148 I156 L158 I215 V218 | L141-L146 HydrophobicContact CD1-CD2 3.51Å; L141-L146 HydrophobicContact CD1-CG 3.77Å; V143-L146 WeakPolarHBondContact O-CB 3.35Å; V143-L146 PolarHBondContact O-N 3.45Å; T144-L146 PolarHBondContact O-N 3.3Å; L146-L148 HydrophobicContact CB-CD1 4.34Å; L146-L148 HydrophobicContact CB-CG 4.23Å; L146-L148 HydrophobicContact CD1-CD1 4.47Å; L146-L148 PolarHBondContact O-N 3.45Å; L146-I156 HydrophobicContact CD1-CD1 3.55Å; L146-I156 HydrophobicContact CD2-CD1 4.12Å; L146-I156 HydrophobicContact CG-CD1 3.92Å; L146-L158 HydrophobicContact CD2-CD1 4.32Å; L146-L158 HydrophobicContact CD2-CD2 4.45Å; L146-I215 HydrophobicContact CD1-CD1 3.97Å; L146-V218 HydrophobicContact CD1-CG1 4.26Å; L146-V218 HydrophobicContact CD2-CG1 3.67Å |
| 147 | G | 87.6 | Confident | 90.4 | Very high | 68 Ų | 68 | 76.1 Ų | 76.1 | 70% | 0.701 | 41% | 0.414 | S | S | * | . | trans | 68.7 | 19.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T144 E145 G149 | T144-G147 PolarHBondContact O-N 2.94Å; E145-G147 PolarHBondContact O-N 3.01Å; G147-G149 VanDerWaalsContact C-N 3.33Å | ||
| 148 | L | 86.3 | Confident | 90.3 | Very high | 95 Ų | 95 | 74.1 Ų | 74.1 | 50% | 0.497 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -89.6 | 4.9 | 177.9 | -62.7 | 176.3 | 0 | 0 | 0 | 113.2 | L146 F150 I215 V218 | L146-L148 HydrophobicContact CB-CD1 4.34Å; L146-L148 HydrophobicContact CB-CG 4.23Å; L146-L148 HydrophobicContact CD1-CD1 4.47Å; L146-L148 PolarHBondContact O-N 3.45Å; L148-F150 HydrophobicContact CB-CD2 3.63Å; L148-F150 HydrophobicContact CB-CE2 3.58Å; L148-F150 HydrophobicContact CB-CZ 4.46Å; L148-F150 HydrophobicContact CD1-CD2 4.32Å; L148-F150 HydrophobicContact CD1-CE2 3.84Å; L148-F150 HydrophobicContact CG-CE2 4.37Å; L148-I215 HydrophobicContact CD1-CG2 4.3Å; L148-V218 HydrophobicContact CD1-CG2 3.99Å |
| 149 | G | 86.2 | Confident | 90.4 | Very high | 73 Ų | 73 | 69 Ų | 69 | 75% | 0.753 | 39% | 0.387 | S | S | * | . | S | Bend | trans | 81.6 | 16.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G147 | G147-G149 VanDerWaalsContact C-N 3.33Š|
| 150 | F | 86.1 | Confident | 90.4 | Very high | 67 Ų | 67 | 69.4 Ų | 69.4 | 29% | 0.294 | 38% | 0.383 | S | S | . | . | trans | -89.7 | 131.8 | 176.1 | -60.2 | -50 | 0 | 0 | 0 | 111.2 | V143 T144 L148 Y206 I215 | V143-F150 HydrophobicContact CG1-CB 3.57Å; V143-F150 HydrophobicContact CG1-CD2 4.37Å; V143-F150 HydrophobicContact CG1-CG 4.36Å; T144-F150 WeakPolarHBondContact CA-O 3.22Å; T144-F150 WeakPolarHBondContact CG2-O 3.29Å; L148-F150 HydrophobicContact CB-CD2 3.63Å; L148-F150 HydrophobicContact CB-CE2 3.58Å; L148-F150 HydrophobicContact CB-CZ 4.46Å; L148-F150 HydrophobicContact CD1-CD2 4.32Å; L148-F150 HydrophobicContact CD1-CE2 3.84Å; L148-F150 HydrophobicContact CG-CE2 4.37Å; F150-Y206 HydrophobicContact CB-CE2 4.2Å; F150-Y206 HydrophobicContact CD1-CE1 4.37Å; F150-Y206 AromaticContact CD1-CZ 3.84Å; F150-Y206 WeakPolarHBondContact CD1-OH 3.32Å; F150-Y206 HydrophobicContact CD2-CE1 4.33Å; F150-Y206 WeakPolarHBondContact CE1-OH 3.42Å; F150-Y206 HydrophobicContact CG-CE1 4.19Å; F150-Y206 AromaticContact CG-CZ 3.76Å; F150-Y206 WeakPolarHBondContact CG-OH 3.5Å; F150-I215 HydrophobicContact CD2-CD1 3.56Å; F150-I215 HydrophobicContact CD2-CG1 4.14Å; F150-I215 HydrophobicContact CE2-CD1 3.58Å; F150-I215 HydrophobicContact CE2-CG1 3.67Å; F150-I215 HydrophobicContact CE2-CG2 4.44Å; F150-I215 HydrophobicContact CZ-CG1 4.21Å | ||
| 151 | E | 85.8 | Confident | 90.4 | Very high | 137 Ų | 137 | 63.5 Ų | 63.5 | 64% | 0.64 | 36% | 0.358 | S | S | * | . | trans | -102.2 | 99.6 | 176.2 | -69.2 | -179.9 | 175.4 | 0 | 0 | 109.8 | ||||
| 152 | S | 88 | Confident | 90.3 | Very high | 14 Ų | 14 | 64.6 Ų | 64.6 | 10% | 0.098 | 37% | 0.367 | C | S | . | . | trans | -160 | 140.6 | 172.7 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | T144 E154 Y207 | T144-S152 WeakPolarHBondContact CG2-O 3.21Å; T144-S152 PolarHBondContact N-O 2.94Å; S152-E154 VanDerWaalsContact C-N 3.28Å; S152-E154 WeakPolarHBondContact OG-CB 3Å; S152-E154 PolarHBondContact OG-N 3.27Å; S152-Y207 VanDerWaalsContact CB-O 3.3Å; S152-Y207 WeakPolarHBondContact CB-O 2.93Å; S152-Y207 PolarHBondContact OG-O 3.49Å | ||
| 153 | D | 87.7 | Confident | 90.2 | Very high | 145 Ų | 145 | 64.9 Ų | 64.9 | 78% | 0.775 | 38% | 0.376 | S | S | * | . | trans | -88.8 | 6.6 | 177.6 | -59.6 | -33.5 | 0 | 0 | 0 | 112.6 | T155 | D153-T155 PolarHBondContact O-N 3.33Š| ||
| 154 | E | 90.3 | Very high | 89.9 | Confident | 80 Ų | 80 | 70.1 Ų | 70.1 | 37% | 0.374 | 40% | 0.4 | S | S | . | . | trans | -66.3 | 131.8 | 178.5 | -167.3 | 168.6 | 179.5 | 0 | 0 | 110.9 | T142 V143 S152 Y206 Y207 | T142-E154 WeakPolarHBondContact CA-O 3.47Å; V143-E154 HydrophobicContact CG2-CB 4.24Å; V143-E154 PolarHBondContact N-O 2.98Å; S152-E154 VanDerWaalsContact C-N 3.28Å; S152-E154 WeakPolarHBondContact OG-CB 3Å; S152-E154 PolarHBondContact OG-N 3.27Å; E154-Y206 WeakPolarHBondContact OE2-CA 3.39Å; E154-Y206 WeakPolarHBondContact OE2-CB 3.35Å; E154-Y207 PolarHBondContact OE2-N 2.98Å | ||
| 155 | T | 91.3 | Very high | 89.6 | Confident | 113 Ų | 113 | 67.7 Ų | 67.7 | 69% | 0.693 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 134.1 | 179.6 | 52.9 | 0 | 0 | 0 | 0 | 110.9 | T142 D153 | T142-T155 HydrophobicContact CG2-CG2 4.32Å; D153-T155 PolarHBondContact O-N 3.33Å |
| 156 | I | 91.3 | Very high | 88.8 | Confident | 12 Ų | 12 | 64.4 Ų | 64.4 | 6% | 0.062 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 145.6 | -172.9 | 67.2 | 162.9 | 0 | 0 | 0 | 110.6 | E140 L141 V143 L146 L204 | E140-I156 WeakPolarHBondContact CA-O 3.34Å; L141-I156 HydrophobicContact CD1-CD1 4.28Å; L141-I156 HydrophobicContact CD1-CG1 4.29Å; L141-I156 HydrophobicContact CG-CG1 4.31Å; L141-I156 PolarHBondContact N-O 3.22Å; L141-I156 VanDerWaalsContact N-O 3.07Å; L141-I156 VanDerWaalsContact O-CG1 3.28Å; L141-I156 WeakPolarHBondContact O-CG1 3.22Å; L141-I156 PolarHBondContact O-N 2.9Å; V143-I156 HydrophobicContact CG2-CG2 3.78Å; L146-I156 HydrophobicContact CD1-CD1 3.55Å; L146-I156 HydrophobicContact CD2-CD1 4.12Å; L146-I156 HydrophobicContact CG-CD1 3.92Å; I156-L204 HydrophobicContact CB-CD2 3.71Å; I156-L204 HydrophobicContact CD1-CD2 3.57Å; I156-L204 HydrophobicContact CG1-CD2 4.24Å; I156-L204 HydrophobicContact CG2-CD2 3.5Å; I156-L204 HydrophobicContact CG2-CG 4.45Å |
| 157 | Q | 92.5 | Very high | 88 | Confident | 86 Ų | 86 | 68.9 Ų | 68.9 | 40% | 0.402 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 99.5 | 174.4 | -176 | 167.4 | 85.4 | 0 | 0 | 109.8 | K138 L139 | K138-Q157 HydrophobicContact CB-CG 4.43Å; L139-Q157 CarbonylContact O-C 3.58Å |
| 158 | L | 92.7 | Very high | 87.1 | Confident | 30 Ų | 30 | 71.1 Ų | 71.1 | 16% | 0.157 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 127.5 | 175.3 | -174.7 | 71.4 | 0 | 0 | 0 | 110.7 | K138 L139 L141 L146 V218 | K138-L158 CarbonylContact C-O 3.54Å; K138-L158 WeakPolarHBondContact CA-O 3.35Å; L139-L158 PolarHBondContact N-O 3.27Å; L139-L158 PolarHBondContact O-N 3.39Å; L141-L158 HydrophobicContact CD2-CB 3.46Å; L141-L158 VanDerWaalsContact CD2-CB 3.46Å; L141-L158 HydrophobicContact CD2-CD2 3.76Å; L141-L158 HydrophobicContact CD2-CG 4.24Å; L141-L158 HydrophobicContact CG-CB 4.23Å; L146-L158 HydrophobicContact CD2-CD1 4.32Å; L146-L158 HydrophobicContact CD2-CD2 4.45Å; L158-V218 HydrophobicContact CD1-CG1 3.73Å; L158-V218 WeakPolarHBondContact CD1-O 3.43Å |
| 159 | Q | 95.1 | Very high | 86.3 | Confident | 23 Ų | 23 | 69 Ų | 69 | 11% | 0.107 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 131.7 | 170.4 | -55.9 | -171.2 | 63 | 0 | 0 | 110.2 | L136 R137 K138 E201 S219 A220 | L136-Q159 HydrophobicContact CD1-CB 4.1Å; L136-Q159 HydrophobicContact CG-CB 4.35Å; R137-Q159 CarbonylContact O-C 3.44Å; R137-Q159 WeakPolarHBondContact O-CA 3.48Å; K138-Q159 HydrophobicContact CG-CG 4.25Å; Q159-E201 PolarHBondContact NE2-OE1 2.99Å; Q159-E201 PolarHBondContact NE2-OE2 2.86Å; Q159-S219 WeakPolarHBondContact CB-OG 3.31Å; Q159-S219 PolarHBondContact N-OG 2.71Å; Q159-S219 VanDerWaalsContact N-OG 3.16Å; Q159-A220 WeakPolarHBondContact CB-O 3.47Å; Q159-A220 WeakPolarHBondContact O-CB 3.42Å; Q159-A220 PolarHBondContact O-N 3.47Å |
| 160 | Y | 94.3 | Very high | 85.6 | Confident | 94 Ų | 94 | 71.1 Ų | 71.1 | 37% | 0.369 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 156.2 | -176.4 | 72.6 | -80.8 | 0 | 0 | 0 | 112.4 | R137 L139 | R137-Y160 HydrophobicContact CB-CD1 3.77Å; R137-Y160 HydrophobicContact CB-CD2 4.23Å; R137-Y160 HydrophobicContact CB-CE1 3.31Å; R137-Y160 HydrophobicContact CB-CE2 3.86Å; R137-Y160 HydrophobicContact CB-CG 4.19Å; R137-Y160 HydrophobicContact CG-CE1 4.34Å; R137-Y160 HydrophobicContact CG-CE2 4.09Å; R137-Y160 PolarHBondContact N-O 3.29Å; R137-Y160 PolarHBondContact O-N 3.22Å; L139-Y160 HydrophobicContact CB-CD1 4.24Å; L139-Y160 HydrophobicContact CB-CE1 3.89Å |
| 161 | C | 94.3 | Very high | 85.1 | Confident | 23 Ų | 23 | 71.7 Ų | 71.7 | 16% | 0.155 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 130.4 | -177.5 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | P197 C223 | C161-P197 HydrophobicContact CB-CG 4.49Å; C161-C223 WeakPolarHBondContact CA-SG 3.29Å; C161-C223 HydrophobicContact CB-CB 3.77Å; C161-C223 WeakPolarHBondContact CB-SG 3.4Å; C161-C223 WeakPolarHBondContact SG-CA 3.49Å; C161-C223 WeakPolarHBondContact SG-CB 3.48Å; C161-C223 CovalentContact SG-SG 2.03Å; C161-C223 PolarHBondContact SG-SG 3.37Å |
| 162 | S | 92.1 | Very high | 84.5 | Confident | 39 Ų | 39 | 67 Ų | 67 | 27% | 0.273 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 155.4 | 173.5 | 64.2 | 0 | 0 | 0 | 0 | 112 | S135 R137 | S135-S162 PolarHBondContact N-O 3.36Å; S135-S162 PolarHBondContact O-N 3.38Å; S135-S162 VanDerWaalsContact O-N 3.17Å; S135-S162 VanDerWaalsContact O-O 3.1Å; R137-S162 WeakPolarHBondContact CG-OG 3.42Å |
| 163 | G | 89.7 | Confident | 83.8 | Confident | 36 Ų | 36 | 72.4 Ų | 72.4 | 37% | 0.371 | 38% | 0.379 | S | S | . | . | S | Bend | trans | 129.2 | -178.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R132 | R132-G163 WeakPolarHBondContact O-CA 3.41Š|
| 164 | Q | 84.8 | Confident | 83.4 | Confident | 109 Ų | 109 | 69.9 Ų | 69.9 | 51% | 0.509 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -105.5 | 150.8 | -178.6 | -69 | -177.2 | -4.1 | 0 | 0 | 111.9 | S131 R132 C134 V166 | S131-Q164 VanDerWaalsContact CB-CD 3.5Å; R132-Q164 PolarHBondContact O-N 3.43Å; C134-Q164 PolarHBondContact N-O 3.3Å; Q164-V166 HydrophobicContact CB-CG1 4.42Å |
| 165 | C | 84.6 | Confident | 82.8 | Confident | 10 Ų | 10 | 68.9 Ų | 68.9 | 7% | 0.068 | 36% | 0.358 | C | S | . | . | trans | -109.3 | 54.3 | -175.7 | -74.3 | 0 | 0 | 0 | 0 | 112.5 | N167 D169 P193 C225 | C165-N167 PolarHBondContact O-N 3.29Å; C165-D169 VanDerWaalsContact O-CG 3.3Å; C165-D169 VanDerWaalsContact O-OD2 3.12Å; C165-P193 HydrophobicContact CB-CB 4.38Å; C165-P193 HydrophobicContact CB-CG 3.66Å; C165-C225 HydrophobicContact CB-CB 3.73Å; C165-C225 WeakPolarHBondContact CB-SG 3.09Å; C165-C225 VanDerWaalsContact SG-CA 3.6Å; C165-C225 WeakPolarHBondContact SG-CB 3.31Å; C165-C225 CovalentContact SG-SG 2.03Å; C165-C225 PolarHBondContact SG-SG 3.2Å | ||
| 166 | V | 75.9 | Confident | 82.2 | Confident | 66 Ų | 66 | 66.9 Ų | 66.9 | 40% | 0.4 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.8 | -33.3 | -170.4 | -74.5 | 0 | 0 | 0 | 0 | 116.3 | Q164 L170 | Q164-V166 HydrophobicContact CB-CG1 4.42Å; V166-L170 WeakPolarHBondContact O-CD1 3.24Å; V166-L170 PolarHBondContact O-N 3.35Å |
| 167 | N | 72.4 | Confident | 81.6 | Confident | 127 Ų | 127 | 72.7 Ų | 72.7 | 68% | 0.679 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -74.1 | -39.2 | -171.9 | -72.3 | -6.8 | 0 | 0 | 0 | 112.8 | C165 V171 | C165-N167 PolarHBondContact O-N 3.29Å; N167-V171 WeakPolarHBondContact O-CG2 3.47Å; N167-V171 PolarHBondContact O-N 3.2Å |
| 168 | Y | 68.1 | Low | 81 | Confident | 114 Ų | 114 | 75.4 Ų | 75.4 | 45% | 0.447 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -70.1 | -37.3 | 177 | 179.8 | -91.8 | 0 | 0 | 0 | 111 | L170 V171 M172 P193 | Y168-L170 VanDerWaalsContact C-N 3.31Å; Y168-L170 PolarHBondContact O-N 3.03Å; Y168-V171 PolarHBondContact O-N 3.48Å; Y168-V171 VanDerWaalsContact O-N 3.13Å; Y168-M172 HydrophobicContact CD1-CB 4.43Å; Y168-M172 HydrophobicContact CD1-CG 3.51Å; Y168-M172 HydrophobicContact CD2-CE 4.39Å; Y168-M172 HydrophobicContact CD2-CG 4.25Å; Y168-M172 HydrophobicContact CE1-CB 4.29Å; Y168-M172 HydrophobicContact CE1-CG 3.12Å; Y168-M172 HydrophobicContact CE1-SD 4.08Å; Y168-M172 HydrophobicContact CE2-CE 3.85Å; Y168-M172 HydrophobicContact CE2-CG 3.85Å; Y168-M172 HydrophobicContact CE2-SD 4.03Å; Y168-M172 HydrophobicContact CG-CG 4.11Å; Y168-M172 WeakPolarHBondContact O-CB 3.32Å; Y168-M172 PolarHBondContact O-N 3.22Å; Y168-M172 PolarHBondContact OH-SD 3.28Å; Y168-P193 HydrophobicContact CD1-CB 3.93Å; Y168-P193 HydrophobicContact CD1-CG 3.41Å; Y168-P193 VanDerWaalsContact CD1-CG 3.41Å; Y168-P193 HydrophobicContact CE1-CB 4.18Å; Y168-P193 HydrophobicContact CE1-CG 4.06Å; Y168-P193 HydrophobicContact CG-CG 4.1Å |
| 169 | D | 68.6 | Low | 80.1 | Confident | 50 Ų | 50 | 76.3 Ų | 76.3 | 27% | 0.267 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 177.9 | -64.2 | -21 | 0 | 0 | 0 | 112.4 | C165 K173 P193 | C165-D169 VanDerWaalsContact O-CG 3.3Å; C165-D169 VanDerWaalsContact O-OD2 3.12Å; D169-K173 WeakPolarHBondContact O-CB 3.37Å; D169-K173 PolarHBondContact O-N 3.3Å; D169-P193 WeakPolarHBondContact OD1-CD 3.4Å; D169-P193 WeakPolarHBondContact OD1-CG 3.47Å |
| 170 | L | 72.3 | Confident | 79.1 | Confident | 119 Ų | 119 | 80.5 Ų | 80.5 | 62% | 0.623 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61.9 | -45 | 175.4 | -76.7 | 156.4 | 0 | 0 | 0 | 111.7 | V166 Y168 H174 | V166-L170 WeakPolarHBondContact O-CD1 3.24Å; V166-L170 PolarHBondContact O-N 3.35Å; Y168-L170 VanDerWaalsContact C-N 3.31Å; Y168-L170 PolarHBondContact O-N 3.03Å; L170-H174 WeakPolarHBondContact O-CB 3.44Å; L170-H174 PolarHBondContact O-N 3.42Å |
| 171 | V | 76.2 | Confident | 77.8 | Confident | 78 Ų | 78 | 80.1 Ų | 80.1 | 47% | 0.473 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.6 | -45.4 | -179.3 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | N167 Y168 H174 M175 | N167-V171 WeakPolarHBondContact O-CG2 3.47Å; N167-V171 PolarHBondContact O-N 3.2Å; Y168-V171 PolarHBondContact O-N 3.48Å; Y168-V171 VanDerWaalsContact O-N 3.13Å; V171-H174 WeakPolarHBondContact O-CB 3.15Å; V171-H174 PolarHBondContact O-N 3.24Å; V171-M175 HydrophobicContact CG1-CG 4.33Å; V171-M175 HydrophobicContact CG1-SD 3.96Å; V171-M175 VanDerWaalsContact O-CG 3.28Å; V171-M175 WeakPolarHBondContact O-CG 3.49Å; V171-M175 PolarHBondContact O-N 3.31Å |
| 172 | M | 73.3 | Confident | 76.2 | Confident | 38 Ų | 38 | 81.7 Ų | 81.7 | 19% | 0.187 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 178.3 | -75.3 | -52.7 | 99.8 | 0 | 0 | 112.2 | Y168 H174 M175 V176 L181 | Y168-M172 HydrophobicContact CD1-CB 4.43Å; Y168-M172 HydrophobicContact CD1-CG 3.51Å; Y168-M172 HydrophobicContact CD2-CE 4.39Å; Y168-M172 HydrophobicContact CD2-CG 4.25Å; Y168-M172 HydrophobicContact CE1-CB 4.29Å; Y168-M172 HydrophobicContact CE1-CG 3.12Å; Y168-M172 HydrophobicContact CE1-SD 4.08Å; Y168-M172 HydrophobicContact CE2-CE 3.85Å; Y168-M172 HydrophobicContact CE2-CG 3.85Å; Y168-M172 HydrophobicContact CE2-SD 4.03Å; Y168-M172 HydrophobicContact CG-CG 4.11Å; Y168-M172 WeakPolarHBondContact O-CB 3.32Å; Y168-M172 PolarHBondContact O-N 3.22Å; Y168-M172 PolarHBondContact OH-SD 3.28Å; M172-H174 VanDerWaalsContact C-N 3.31Å; M172-H174 PolarHBondContact O-N 3.46Å; M172-M175 HydrophobicContact CE-CG 4.44Å; M172-M175 HydrophobicContact CE-SD 3.31Å; M172-M175 WeakPolarHBondContact CE-SD 3.49Å; M172-M175 PolarHBondContact O-N 3.17Å; M172-M175 HydrophobicContact SD-SD 4.44Å; M172-V176 WeakPolarHBondContact O-CB 3.36Å; M172-V176 VanDerWaalsContact O-CG2 3.26Å; M172-V176 WeakPolarHBondContact O-CG2 3.44Å; M172-V176 PolarHBondContact O-N 3.02Å; M172-L181 HydrophobicContact SD-CD1 3.91Å |
| 173 | K | 73.3 | Confident | 74.8 | Confident | 129 Ų | 129 | 92.6 Ų | 92.6 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -57 | -48 | 172.9 | -179.1 | 176.4 | 173.9 | 179.4 | 0 | 110.5 | D169 M175 V176 E177 | D169-K173 WeakPolarHBondContact O-CB 3.37Å; D169-K173 PolarHBondContact O-N 3.3Å; K173-M175 PolarHBondContact O-N 3.13Å; K173-V176 PolarHBondContact O-N 3.12Å; K173-E177 WeakPolarHBondContact CE-OE1 3.25Å; K173-E177 HydrophobicContact CG-CG 4.43Å; K173-E177 WeakPolarHBondContact CG-OE1 3.39Å; K173-E177 WeakPolarHBondContact O-CB 3.04Å; K173-E177 VanDerWaalsContact O-CG 3.27Å; K173-E177 WeakPolarHBondContact O-CG 3.45Å; K173-E177 PolarHBondContact O-N 2.89Å |
| 174 | H | 79.1 | Confident | 73.5 | Confident | 92 Ų | 92 | 93.7 Ų | 93.7 | 43% | 0.426 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 175.7 | 177.2 | -95.9 | 0 | 0 | 0 | 112.5 | L170 V171 M172 V176 E177 K178 | L170-H174 WeakPolarHBondContact O-CB 3.44Å; L170-H174 PolarHBondContact O-N 3.42Å; V171-H174 WeakPolarHBondContact O-CB 3.15Å; V171-H174 PolarHBondContact O-N 3.24Å; M172-H174 VanDerWaalsContact C-N 3.31Å; M172-H174 PolarHBondContact O-N 3.46Å; H174-V176 VanDerWaalsContact C-N 3.34Å; H174-V176 PolarHBondContact O-N 3.02Å; H174-E177 PolarHBondContact O-N 3.34Å; H174-K178 WeakPolarHBondContact NE2-CE 3.27Å; H174-K178 VanDerWaalsContact O-CB 3.29Å; H174-K178 WeakPolarHBondContact O-CB 3.15Å; H174-K178 VanDerWaalsContact O-CG 3.22Å; H174-K178 WeakPolarHBondContact O-CG 3.33Å; H174-K178 PolarHBondContact O-N 3.37Å |
| 175 | M | 78.2 | Confident | 71.9 | Confident | 58 Ų | 58 | 99.7 Ų | 99.7 | 29% | 0.286 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.1 | -33.5 | 179.4 | -69.8 | 179.8 | 93.5 | 0 | 0 | 112.9 | V171 M172 K173 G179 I180 L181 | V171-M175 HydrophobicContact CG1-CG 4.33Å; V171-M175 HydrophobicContact CG1-SD 3.96Å; V171-M175 VanDerWaalsContact O-CG 3.28Å; V171-M175 WeakPolarHBondContact O-CG 3.49Å; V171-M175 PolarHBondContact O-N 3.31Å; M172-M175 HydrophobicContact CE-CG 4.44Å; M172-M175 HydrophobicContact CE-SD 3.31Å; M172-M175 WeakPolarHBondContact CE-SD 3.49Å; M172-M175 PolarHBondContact O-N 3.17Å; M172-M175 HydrophobicContact SD-SD 4.44Å; K173-M175 PolarHBondContact O-N 3.13Å; M175-G179 PolarHBondContact O-N 3.12Å; M175-I180 HydrophobicContact CE-CG2 4.18Å; M175-I180 HydrophobicContact CG-CD1 4.43Å; M175-I180 PolarHBondContact O-N 3.02Å; M175-L181 HydrophobicContact CB-CD1 3.48Å; M175-L181 VanDerWaalsContact CB-CD1 3.48Å; M175-L181 HydrophobicContact CB-CG 4.31Å; M175-L181 PolarHBondContact O-N 2.92Å |
| 176 | V | 78.4 | Confident | 70.5 | Confident | 71 Ų | 71 | 109.1 Ų | 109.1 | 43% | 0.43 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -71.7 | -44.8 | 172.7 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | M172 K173 H174 K178 G179 L181 | M172-V176 WeakPolarHBondContact O-CB 3.36Å; M172-V176 VanDerWaalsContact O-CG2 3.26Å; M172-V176 WeakPolarHBondContact O-CG2 3.44Å; M172-V176 PolarHBondContact O-N 3.02Å; K173-V176 PolarHBondContact O-N 3.12Å; H174-V176 VanDerWaalsContact C-N 3.34Å; H174-V176 PolarHBondContact O-N 3.02Å; V176-K178 VanDerWaalsContact C-N 3.32Å; V176-K178 PolarHBondContact O-N 3.05Å; V176-G179 PolarHBondContact O-N 3.37Å; V176-L181 HydrophobicContact CG2-CB 4.32Å; V176-L181 HydrophobicContact CG2-CD1 3.94Å |
| 177 | E | 77.7 | Confident | 69.3 | Low | 135 Ų | 135 | 112.2 Ų | 112.2 | 63% | 0.631 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.3 | -39.7 | 176.1 | -77.4 | 174.4 | -179.4 | 0 | 0 | 111.9 | K173 H174 G179 | K173-E177 WeakPolarHBondContact CE-OE1 3.25Å; K173-E177 HydrophobicContact CG-CG 4.43Å; K173-E177 WeakPolarHBondContact CG-OE1 3.39Å; K173-E177 WeakPolarHBondContact O-CB 3.04Å; K173-E177 VanDerWaalsContact O-CG 3.27Å; K173-E177 WeakPolarHBondContact O-CG 3.45Å; K173-E177 PolarHBondContact O-N 2.89Å; H174-E177 PolarHBondContact O-N 3.34Å; E177-G179 PolarHBondContact O-N 3.43Å |
| 178 | K | 81.2 | Confident | 68.7 | Low | 142 Ų | 142 | 118.1 Ų | 118.1 | 62% | 0.617 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -2.3 | 175.3 | -68.6 | -68.4 | -176.1 | 178.4 | 0 | 113.6 | H174 V176 I180 | H174-K178 WeakPolarHBondContact NE2-CE 3.27Å; H174-K178 VanDerWaalsContact O-CB 3.29Å; H174-K178 WeakPolarHBondContact O-CB 3.15Å; H174-K178 VanDerWaalsContact O-CG 3.22Å; H174-K178 WeakPolarHBondContact O-CG 3.33Å; H174-K178 PolarHBondContact O-N 3.37Å; V176-K178 VanDerWaalsContact C-N 3.32Å; V176-K178 PolarHBondContact O-N 3.05Å; K178-I180 HydrophobicContact CB-CD1 3.84Å; K178-I180 HydrophobicContact CB-CG1 3.81Å; K178-I180 PolarHBondContact O-N 2.96Å |
| 179 | G | 71.9 | Confident | 68 | Low | 49 Ų | 49 | 117.9 Ų | 117.9 | 51% | 0.505 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 66.1 | 15.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | M175 V176 E177 | M175-G179 PolarHBondContact O-N 3.12Å; V176-G179 PolarHBondContact O-N 3.37Å; E177-G179 PolarHBondContact O-N 3.43Å |
| 180 | I | 74.7 | Confident | 67.4 | Low | 111 Ų | 111 | 120 Ų | 120 | 57% | 0.569 | 61% | 0.605 | S | S | * | * | trans | -68 | -42.4 | 179 | -58.3 | 171 | 0 | 0 | 0 | 109.3 | M175 K178 G182 | M175-I180 HydrophobicContact CE-CG2 4.18Å; M175-I180 HydrophobicContact CG-CD1 4.43Å; M175-I180 PolarHBondContact O-N 3.02Å; K178-I180 HydrophobicContact CB-CD1 3.84Å; K178-I180 HydrophobicContact CB-CG1 3.81Å; K178-I180 PolarHBondContact O-N 2.96Å; I180-G182 PolarHBondContact O-N 3.32Å; I180-G182 VanDerWaalsContact O-N 3.16Å | ||
| 181 | L | 67.9 | Low | 66.8 | Low | 86 Ų | 86 | 121.8 Ų | 121.8 | 45% | 0.45 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -82 | 87.4 | 168.4 | -73 | 147.9 | 0 | 0 | 0 | 107.3 | M172 M175 V176 | M172-L181 HydrophobicContact SD-CD1 3.91Å; M175-L181 HydrophobicContact CB-CD1 3.48Å; M175-L181 VanDerWaalsContact CB-CD1 3.48Å; M175-L181 HydrophobicContact CB-CG 4.31Å; M175-L181 PolarHBondContact O-N 2.92Å; V176-L181 HydrophobicContact CG2-CB 4.32Å; V176-L181 HydrophobicContact CG2-CD1 3.94Å |
| 182 | G | 60.7 | Low | 66.4 | Low | 56 Ų | 56 | 124.6 Ų | 124.6 | 58% | 0.577 | 62% | 0.616 | S | S | * | * | trans | -44.3 | 149.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | I180 G184 | I180-G182 PolarHBondContact O-N 3.32Å; I180-G182 VanDerWaalsContact O-N 3.16Å; G182-G184 PolarHBondContact O-N 2.74Å | ||
| 183 | R | 61.4 | Low | 66.7 | Low | 268 Ų | 268 | 123.5 Ų | 123.5 | 100% | 1.011 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -64.4 | 14.3 | -172.9 | -147.9 | -179.9 | -154.5 | -152.7 | 5.1 | 115.5 | ||
| 184 | G | 63.2 | Low | 67.3 | Low | 59 Ų | 59 | 120.7 Ų | 120.7 | 61% | 0.608 | 61% | 0.608 | S | S | * | * | trans | -119.2 | 99 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G182 | G182-G184 PolarHBondContact O-N 2.74Š| ||
| 185 | R | 52.1 | Low | 67.9 | Low | 235 Ų | 235 | 117.4 Ų | 117.4 | 89% | 0.887 | 60% | 0.595 | S | S | * | * | 170.2 | 127.7 | 125 | -91.3 | 168.2 | -176.9 | -173.4 | 1.4 | 109.6 | N187 | R185-N187 PolarHBondContact O-N 3.42Š| |||
| 186 | K | 53.9 | Low | 68.6 | Low | 208 Ų | 208 | 122 Ų | 122 | 90% | 0.904 | 61% | 0.609 | S | S | * | * | trans | -72.5 | 43.6 | -175.7 | -69.1 | 176.9 | 173.8 | 175.3 | 0 | 113.4 | ||||
| 187 | N | 51.5 | Low | 69.4 | Low | 131 Ų | 131 | 120.8 Ų | 120.8 | 70% | 0.701 | 60% | 0.602 | S | S | * | * | trans | -109.6 | 95.4 | 166.2 | -72.1 | -9.1 | 0 | 0 | 0 | 106.9 | R185 V189 | R185-N187 PolarHBondContact O-N 3.42Å; N187-V189 HydrophobicContact CB-CG2 4.27Å; N187-V189 PolarHBondContact O-N 2.99Å | ||
| 188 | R | 58.3 | Low | 70.1 | Confident | 252 Ų | 252 | 117.9 Ų | 117.9 | 95% | 0.951 | 59% | 0.594 | S | S | * | * | trans | -72.3 | 60.6 | 174.8 | -65.6 | -175.5 | -179.2 | -179 | 1.4 | 109.9 | ||||
| 189 | V | 53.7 | Low | 70.7 | Confident | 108 Ų | 108 | 117.6 Ų | 117.6 | 66% | 0.655 | 59% | 0.593 | S | S | * | * | trans | -71 | 133.3 | 164.8 | -177.5 | 0 | 0 | 0 | 0 | 106.2 | N187 K191 | N187-V189 HydrophobicContact CB-CG2 4.27Å; N187-V189 PolarHBondContact O-N 2.99Å; V189-K191 WeakPolarHBondContact O-CG 3.42Å; V189-K191 PolarHBondContact O-N 3.3Å | ||
| 190 | S | 55.8 | Low | 71.8 | Confident | 94 Ų | 94 | 119.7 Ų | 119.7 | 66% | 0.657 | 59% | 0.588 | S | S | * | * | trans | -50.9 | 117.7 | 176.2 | -170.4 | 0 | 0 | 0 | 0 | 108.9 | E192 | S190-E192 PolarHBondContact O-N 2.93Š| ||
| 191 | K | 60 | Low | 72.5 | Confident | 158 Ų | 158 | 118.3 Ų | 118.3 | 69% | 0.687 | 58% | 0.579 | S | S | * | * | trans | -85.1 | 9.7 | -173.1 | -65.6 | -173.9 | 178 | -174.7 | 0 | 113.1 | V189 | V189-K191 WeakPolarHBondContact O-CG 3.42Å; V189-K191 PolarHBondContact O-N 3.3Å | ||
| 192 | E | 69.1 | Low | 73.5 | Confident | 136 Ų | 136 | 123.4 Ų | 123.4 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -99.1 | 123.7 | 178.4 | -68.4 | 179.6 | -179.4 | 0 | 0 | 109 | S190 C194 | S190-E192 PolarHBondContact O-N 2.93Å; E192-C194 PolarHBondContact O-N 3.46Å |
| 193 | P | 78 | Confident | 74.7 | Confident | 15 Ų | 15 | 124 Ų | 124 | 10% | 0.097 | 59% | 0.593 | C | S | . | * | P | Polyproline II helix | trans | -65 | 131.7 | 177.5 | 34.8 | -37 | 0 | 0 | 0 | 109.5 | C165 Y168 D169 C225 V226 | C165-P193 HydrophobicContact CB-CB 4.38Å; C165-P193 HydrophobicContact CB-CG 3.66Å; Y168-P193 HydrophobicContact CD1-CB 3.93Å; Y168-P193 HydrophobicContact CD1-CG 3.41Å; Y168-P193 VanDerWaalsContact CD1-CG 3.41Å; Y168-P193 HydrophobicContact CE1-CB 4.18Å; Y168-P193 HydrophobicContact CE1-CG 4.06Å; Y168-P193 HydrophobicContact CG-CG 4.1Å; D169-P193 WeakPolarHBondContact OD1-CD 3.4Å; D169-P193 WeakPolarHBondContact OD1-CG 3.47Å; P193-C225 HydrophobicContact CB-CB 4.02Å; P193-C225 HydrophobicContact CG-CB 4.39Å; P193-V226 CarbonylContact C-O 3.57Å; P193-V226 WeakPolarHBondContact CA-O 3.09Å |
| 194 | C | 86.4 | Confident | 75.8 | Confident | 70 Ų | 70 | 114.5 Ų | 114.5 | 47% | 0.473 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -88.9 | 144.6 | 175.3 | -64.9 | 0 | 0 | 0 | 0 | 109.7 | E192 R196 V226 | E192-C194 PolarHBondContact O-N 3.46Å; C194-R196 HydrophobicContact CB-CG 4.07Å; C194-R196 PolarHBondContact O-N 3.36Å; C194-R196 VanDerWaalsContact O-N 3.08Å; C194-V226 PolarHBondContact N-O 3.48Å; C194-V226 PolarHBondContact O-N 3.35Å; C194-V226 VanDerWaalsContact O-N 3.11Å |
| 195 | C | 91.3 | Very high | 76.9 | Confident | 23 Ų | 23 | 113.9 Ų | 113.9 | 16% | 0.155 | 56% | 0.556 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -72 | 102.6 | 168 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | C134 | C134-C195 WeakPolarHBondContact CA-SG 3.31Å; C134-C195 HydrophobicContact CB-CB 3.79Å; C134-C195 WeakPolarHBondContact CB-SG 3.47Å; C134-C195 VanDerWaalsContact SG-CA 3.6Å; C134-C195 WeakPolarHBondContact SG-CB 3.39Å; C134-C195 CovalentContact SG-SG 2.05Å; C134-C195 PolarHBondContact SG-SG 3.04Å |
| 196 | R | 93.1 | Very high | 78.6 | Confident | 155 Ų | 155 | 103.2 Ų | 103.2 | 59% | 0.585 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 156.9 | -178.3 | -71.8 | -72.8 | -171.8 | 154.6 | -1.4 | 111.5 | C194 T198 C223 G224 V226 | C194-R196 HydrophobicContact CB-CG 4.07Å; C194-R196 PolarHBondContact O-N 3.36Å; C194-R196 VanDerWaalsContact O-N 3.08Å; R196-T198 PolarHBondContact O-N 2.92Å; R196-C223 WeakPolarHBondContact O-CA 3.34Å; R196-G224 PolarHBondContact N-O 3.44Å; R196-G224 PolarHBondContact O-N 3.3Å; R196-G224 VanDerWaalsContact O-O 3.12Å; R196-V226 HydrophobicContact CB-CG2 3.6Å; R196-V226 HydrophobicContact CG-CG2 3.72Å |
| 197 | P | 95.1 | Very high | 80.1 | Confident | 45 Ų | 45 | 98.8 Ų | 98.8 | 29% | 0.292 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 132.4 | 169.5 | -20.7 | 33.2 | 0 | 0 | 0 | 111.4 | C161 F200 A220 S222 | C161-P197 HydrophobicContact CB-CG 4.49Å; P197-F200 HydrophobicContact CB-CE1 3.97Å; P197-F200 HydrophobicContact CB-CE2 4.49Å; P197-F200 HydrophobicContact CB-CZ 3.91Å; P197-F200 HydrophobicContact CG-CE1 4.19Å; P197-F200 HydrophobicContact CG-CZ 4.3Å; P197-A220 HydrophobicContact CB-CB 3.84Å; P197-A220 HydrophobicContact CG-CB 3.93Å; P197-S222 CarbonylContact C-O 3.51Å; P197-S222 WeakPolarHBondContact CA-O 3.33Å |
| 198 | T | 93 | Very high | 81.8 | Confident | 74 Ų | 74 | 92.8 Ų | 92.8 | 45% | 0.454 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -24 | 173.1 | 50.5 | 0 | 0 | 0 | 0 | 112.1 | R196 S222 | R196-T198 PolarHBondContact O-N 2.92Å; T198-S222 PolarHBondContact N-O 3.31Å; T198-S222 PolarHBondContact OG1-O 3.23Å; T198-S222 PolarHBondContact OG1-OG 3.43Å |
| 199 | K | 94.1 | Very high | 82.9 | Confident | 136 Ų | 136 | 86.5 Ų | 86.5 | 59% | 0.591 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 146.3 | 173.1 | -60.7 | -179.2 | 179.5 | 179 | 0 | 109.1 | K221 S222 | K199-K221 HydrophobicContact CB-CB 4.28Å; K199-K221 PolarHBondContact O-N 2.95Å; K199-S222 VanDerWaalsContact CB-OG 3.29Å; K199-S222 WeakPolarHBondContact CB-OG 3.36Å; K199-S222 WeakPolarHBondContact CG-OG 3.47Å; K199-S222 PolarHBondContact N-OG 3.12Å; K199-S222 PolarHBondContact O-N 3.38Å |
| 200 | F | 94 | Very high | 84.2 | Confident | 94 Ų | 94 | 90.2 Ų | 90.2 | 41% | 0.412 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 157.2 | 172.6 | -65.3 | -84.6 | 0 | 0 | 0 | 110.9 | P197 N217 S219 | P197-F200 HydrophobicContact CB-CE1 3.97Å; P197-F200 HydrophobicContact CB-CE2 4.49Å; P197-F200 HydrophobicContact CB-CZ 3.91Å; P197-F200 HydrophobicContact CG-CE1 4.19Å; P197-F200 HydrophobicContact CG-CZ 4.3Å; F200-N217 HydrophobicContact CD1-CB 4.41Å; F200-N217 WeakPolarHBondContact CE1-O 3.4Å; F200-N217 HydrophobicContact CG-CB 4.3Å; F200-S219 CarbonylContact C-O 3.56Å; F200-S219 WeakPolarHBondContact CA-O 3.44Å; F200-S219 WeakPolarHBondContact CD1-O 3.25Å |
| 201 | E | 90.3 | Very high | 85.6 | Confident | 81 Ų | 81 | 89.1 Ų | 89.1 | 38% | 0.379 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 170.9 | 172.1 | -165.6 | 155 | -145.6 | 0 | 0 | 110.8 | Q159 S219 | Q159-E201 PolarHBondContact NE2-OE1 2.99Å; Q159-E201 PolarHBondContact NE2-OE2 2.86Å; E201-S219 PolarHBondContact N-O 3.5Å; E201-S219 PolarHBondContact OE2-OG 3.35Å |
| 202 | K | 87.7 | Confident | 86.8 | Confident | 194 Ų | 194 | 89.1 Ų | 89.1 | 84% | 0.843 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 156.3 | 174.9 | -67.5 | -178.2 | -179.6 | 179.4 | 0 | 110.1 | L204 | K202-L204 PolarHBondContact O-N 3.35Š|
| 203 | S | 86.9 | Confident | 87.7 | Confident | 68 Ų | 68 | 85.2 Ų | 85.2 | 48% | 0.476 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 131.8 | 176.5 | 56.5 | 0 | 0 | 0 | 0 | 110.9 | I214 I215 | S203-I214 VanDerWaalsContact CB-CG2 3.41Å; S203-I215 CarbonylContact C-O 3.5Å; S203-I215 VanDerWaalsContact CA-O 3.28Å; S203-I215 WeakPolarHBondContact CA-O 3.46Å |
| 204 | L | 85.1 | Confident | 88.2 | Confident | 68 Ų | 68 | 90.5 Ų | 90.5 | 36% | 0.356 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 120.8 | -179.5 | -168.2 | 78.9 | 0 | 0 | 0 | 108.8 | I156 K202 I214 I215 | I156-L204 HydrophobicContact CB-CD2 3.71Å; I156-L204 HydrophobicContact CD1-CD2 3.57Å; I156-L204 HydrophobicContact CG1-CD2 4.24Å; I156-L204 HydrophobicContact CG2-CD2 3.5Å; I156-L204 HydrophobicContact CG2-CG 4.45Å; K202-L204 PolarHBondContact O-N 3.35Å; L204-I214 CarbonylContact O-C 3.6Å; L204-I214 WeakPolarHBondContact O-CA 3.28Å; L204-I215 PolarHBondContact N-O 2.96Å; L204-I215 PolarHBondContact O-N 3.04Å |
| 205 | G | 85.4 | Confident | 88.2 | Confident | 47 Ų | 47 | 87.6 Ų | 87.6 | 49% | 0.485 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 137.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | N213 | G205-N213 CarbonylContact C-O 3.58Å; G205-N213 VanDerWaalsContact CA-O 3.31Å; G205-N213 WeakPolarHBondContact CA-O 3.45Å |
| 206 | Y | 87.8 | Confident | 88.1 | Confident | 10 Ų | 10 | 90 Ų | 90 | 4% | 0.039 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 154.5 | 169.4 | 77.9 | -82.6 | 0 | 0 | 0 | 110.7 | V143 F150 E154 N213 I215 | V143-Y206 HydrophobicContact CB-CD2 4.38Å; V143-Y206 HydrophobicContact CG1-CD1 4.26Å; V143-Y206 HydrophobicContact CG1-CD2 3.77Å; V143-Y206 HydrophobicContact CG1-CE1 4.34Å; V143-Y206 HydrophobicContact CG1-CE2 3.84Å; V143-Y206 HydrophobicContact CG1-CG 3.99Å; V143-Y206 HydrophobicContact CG2-CD2 4.14Å; V143-Y206 HydrophobicContact CG2-CG 3.94Å; F150-Y206 HydrophobicContact CB-CE2 4.2Å; F150-Y206 HydrophobicContact CD1-CE1 4.37Å; F150-Y206 AromaticContact CD1-CZ 3.84Å; F150-Y206 WeakPolarHBondContact CD1-OH 3.32Å; F150-Y206 HydrophobicContact CD2-CE1 4.33Å; F150-Y206 WeakPolarHBondContact CE1-OH 3.42Å; F150-Y206 HydrophobicContact CG-CE1 4.19Å; F150-Y206 AromaticContact CG-CZ 3.76Å; F150-Y206 WeakPolarHBondContact CG-OH 3.5Å; E154-Y206 WeakPolarHBondContact OE2-CA 3.39Å; E154-Y206 WeakPolarHBondContact OE2-CB 3.35Å; Y206-N213 HydrophobicContact CD1-CB 4.02Å; Y206-N213 HydrophobicContact CE1-CB 3.4Å; Y206-N213 HydrophobicContact CE2-CB 4.15Å; Y206-N213 VanDerWaalsContact CZ-CB 3.46Å; Y206-N213 PolarHBondContact N-O 3.42Å; Y206-N213 PolarHBondContact O-N 3.43Å; Y206-I215 HydrophobicContact CD1-CD1 3.46Å; Y206-I215 VanDerWaalsContact CD1-CD1 3.46Å; Y206-I215 HydrophobicContact CD1-CG1 3.61Å; Y206-I215 HydrophobicContact CE1-CD1 3.45Å; Y206-I215 VanDerWaalsContact CE1-CD1 3.45Å; Y206-I215 HydrophobicContact CE1-CG1 3.45Å; Y206-I215 VanDerWaalsContact CE1-CG1 3.45Å; Y206-I215 HydrophobicContact CG-CD1 4.47Å |
| 207 | Y | 86.5 | Confident | 87.8 | Confident | 115 Ų | 115 | 87.9 Ų | 87.9 | 45% | 0.451 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 118.1 | 175.9 | -167 | -107 | 0 | 0 | 0 | 110.2 | S152 E154 K210 T211 H212 | S152-Y207 VanDerWaalsContact CB-O 3.3Å; S152-Y207 WeakPolarHBondContact CB-O 2.93Å; S152-Y207 PolarHBondContact OG-O 3.49Å; E154-Y207 PolarHBondContact OE2-N 2.98Å; Y207-K210 WeakPolarHBondContact OH-CA 3.22Å; Y207-K210 PolarHBondContact OH-O 2.99Å; Y207-T211 WeakPolarHBondContact CD2-O 3.21Å; Y207-H212 AromaticContact CD2-CD2 3.96Å; Y207-H212 AromaticContact CD2-CE1 3.56Å; Y207-H212 AromaticContact CD2-CG 3.91Å; Y207-H212 AromaticContact CD2-ND1 3.66Å; Y207-H212 AromaticContact CD2-NE2 3.75Å; Y207-H212 AromaticContact CE2-CE1 3.68Å; Y207-H212 AromaticContact CE2-ND1 3.75Å |
| 208 | G | 85.6 | Confident | 87.4 | Confident | 5 Ų | 5 | 88.1 Ų | 88.1 | 5% | 0.052 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 145.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | K210 T211 N213 | G208-K210 PolarHBondContact O-N 3.4Å; G208-K210 VanDerWaalsContact O-N 3.16Å; G208-T211 PolarHBondContact N-O 2.94Å; G208-T211 PolarHBondContact O-N 3.48Å; G208-T211 PolarHBondContact O-OG1 3.08Å; G208-N213 PolarHBondContact O-ND2 2.91Å |
| 209 | N | 82.3 | Confident | 87.4 | Confident | 120 Ų | 120 | 85.5 Ų | 85.5 | 64% | 0.642 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 41.9 | 179.8 | -65.6 | -22.7 | 0 | 0 | 0 | 113.8 | T211 | N209-T211 PolarHBondContact O-N 3.46Å; N209-T211 VanDerWaalsContact O-N 3.13Å |
| 210 | K | 80.8 | Confident | 87.5 | Confident | 186 Ų | 186 | 79.1 Ų | 79.1 | 81% | 0.809 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 18.6 | -178.4 | -54.1 | 175.8 | -177.2 | 174.3 | 0 | 114.8 | Y207 G208 | Y207-K210 WeakPolarHBondContact OH-CA 3.22Å; Y207-K210 PolarHBondContact OH-O 2.99Å; G208-K210 PolarHBondContact O-N 3.4Å; G208-K210 VanDerWaalsContact O-N 3.16Å |
| 211 | T | 85.2 | Confident | 87.5 | Confident | 71 Ų | 71 | 81.1 Ų | 81.1 | 44% | 0.436 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 151.3 | 179.3 | 55.1 | 0 | 0 | 0 | 0 | 110.5 | Y207 G208 N209 N213 | Y207-T211 WeakPolarHBondContact CD2-O 3.21Å; G208-T211 PolarHBondContact N-O 2.94Å; G208-T211 PolarHBondContact O-N 3.48Å; G208-T211 PolarHBondContact O-OG1 3.08Å; N209-T211 PolarHBondContact O-N 3.46Å; N209-T211 VanDerWaalsContact O-N 3.13Å; T211-N213 PolarHBondContact O-ND2 3.41Å; T211-N213 PolarHBondContact OG1-ND2 2.99Å; T211-N213 VanDerWaalsContact OG1-ND2 3.13Å |
| 212 | H | 85.3 | Confident | 87.7 | Confident | 159 Ų | 159 | 78.9 Ų | 78.9 | 74% | 0.736 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 117.2 | 171.8 | -72.7 | 83.1 | 0 | 0 | 0 | 108.7 | Y207 | Y207-H212 AromaticContact CD2-CD2 3.96Å; Y207-H212 AromaticContact CD2-CE1 3.56Å; Y207-H212 AromaticContact CD2-CG 3.91Å; Y207-H212 AromaticContact CD2-ND1 3.66Å; Y207-H212 AromaticContact CD2-NE2 3.75Å; Y207-H212 AromaticContact CE2-CE1 3.68Å; Y207-H212 AromaticContact CE2-ND1 3.75Å |
| 213 | N | 87.1 | Confident | 88 | Confident | 53 Ų | 53 | 71.2 Ų | 71.2 | 28% | 0.283 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 156 | -179 | -67.7 | -60.9 | 0 | 0 | 0 | 110.2 | G205 Y206 G208 T211 | G205-N213 CarbonylContact C-O 3.58Å; G205-N213 VanDerWaalsContact CA-O 3.31Å; G205-N213 WeakPolarHBondContact CA-O 3.45Å; Y206-N213 HydrophobicContact CD1-CB 4.02Å; Y206-N213 HydrophobicContact CE1-CB 3.4Å; Y206-N213 HydrophobicContact CE2-CB 4.15Å; Y206-N213 VanDerWaalsContact CZ-CB 3.46Å; Y206-N213 PolarHBondContact N-O 3.42Å; Y206-N213 PolarHBondContact O-N 3.43Å; G208-N213 PolarHBondContact O-ND2 2.91Å; T211-N213 PolarHBondContact O-ND2 3.41Å; T211-N213 PolarHBondContact OG1-ND2 2.99Å; T211-N213 VanDerWaalsContact OG1-ND2 3.13Å |
| 214 | I | 88.5 | Confident | 88.1 | Confident | 126 Ų | 126 | 68.8 Ų | 68.8 | 65% | 0.646 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 128.4 | -174.7 | -58.8 | 174.9 | 0 | 0 | 0 | 109.5 | S203 L204 | S203-I214 VanDerWaalsContact CB-CG2 3.41Å; L204-I214 CarbonylContact O-C 3.6Å; L204-I214 WeakPolarHBondContact O-CA 3.28Å |
| 215 | I | 87.1 | Confident | 88.3 | Confident | 9 Ų | 9 | 68.4 Ų | 68.4 | 5% | 0.046 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.2 | 178.9 | -54.5 | 175.6 | 0 | 0 | 0 | 109.1 | V143 L146 L148 F150 S203 L204 Y206 V218 | V143-I215 HydrophobicContact CG1-CD1 4.2Å; L146-I215 HydrophobicContact CD1-CD1 3.97Å; L148-I215 HydrophobicContact CD1-CG2 4.3Å; F150-I215 HydrophobicContact CD2-CD1 3.56Å; F150-I215 HydrophobicContact CD2-CG1 4.14Å; F150-I215 HydrophobicContact CE2-CD1 3.58Å; F150-I215 HydrophobicContact CE2-CG1 3.67Å; F150-I215 HydrophobicContact CE2-CG2 4.44Å; F150-I215 HydrophobicContact CZ-CG1 4.21Å; S203-I215 CarbonylContact C-O 3.5Å; S203-I215 VanDerWaalsContact CA-O 3.28Å; S203-I215 WeakPolarHBondContact CA-O 3.46Å; L204-I215 PolarHBondContact N-O 2.96Å; L204-I215 PolarHBondContact O-N 3.04Å; Y206-I215 HydrophobicContact CD1-CD1 3.46Å; Y206-I215 VanDerWaalsContact CD1-CD1 3.46Å; Y206-I215 HydrophobicContact CD1-CG1 3.61Å; Y206-I215 HydrophobicContact CE1-CD1 3.45Å; Y206-I215 VanDerWaalsContact CE1-CD1 3.45Å; Y206-I215 HydrophobicContact CE1-CG1 3.45Å; Y206-I215 VanDerWaalsContact CE1-CG1 3.45Å; Y206-I215 HydrophobicContact CG-CD1 4.47Å; I215-V218 HydrophobicContact CG2-CB 3.98Å; I215-V218 HydrophobicContact CG2-CG2 3.27Å |
| 216 | S | 88.3 | Confident | 88.3 | Confident | 75 Ų | 75 | 72 Ų | 72 | 52% | 0.524 | 39% | 0.385 | S | S | . | . | trans | -102 | 149.7 | 177.7 | 61.3 | 0 | 0 | 0 | 0 | 112.8 | V218 | S216-V218 PolarHBondContact O-N 3.44Š| ||
| 217 | N | 87.3 | Confident | 88.3 | Confident | 109 Ų | 109 | 75.2 Ų | 75.2 | 58% | 0.583 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 62.8 | 30.2 | 171.5 | -57.2 | -37.6 | 0 | 0 | 0 | 116.3 | F200 | F200-N217 HydrophobicContact CD1-CB 4.41Å; F200-N217 WeakPolarHBondContact CE1-O 3.4Å; F200-N217 HydrophobicContact CG-CB 4.3Å |
| 218 | V | 88.1 | Confident | 88.4 | Confident | 51 Ų | 51 | 73.1 Ų | 73.1 | 31% | 0.309 | 40% | 0.4 | S | S | . | . | trans | -101.5 | -39.3 | 179.8 | 175.9 | 0 | 0 | 0 | 0 | 112.5 | L146 L148 L158 I215 S216 | L146-V218 HydrophobicContact CD1-CG1 4.26Å; L146-V218 HydrophobicContact CD2-CG1 3.67Å; L148-V218 HydrophobicContact CD1-CG2 3.99Å; L158-V218 HydrophobicContact CD1-CG1 3.73Å; L158-V218 WeakPolarHBondContact CD1-O 3.43Å; I215-V218 HydrophobicContact CG2-CB 3.98Å; I215-V218 HydrophobicContact CG2-CG2 3.27Å; S216-V218 PolarHBondContact O-N 3.44Å | ||
| 219 | S | 92.6 | Very high | 88.6 | Confident | 18 Ų | 18 | 76.8 Ų | 76.8 | 13% | 0.126 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -94.1 | 132 | 177.6 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | Q159 F200 E201 | Q159-S219 WeakPolarHBondContact CB-OG 3.31Å; Q159-S219 PolarHBondContact N-OG 2.71Å; Q159-S219 VanDerWaalsContact N-OG 3.16Å; F200-S219 CarbonylContact C-O 3.56Å; F200-S219 WeakPolarHBondContact CA-O 3.44Å; F200-S219 WeakPolarHBondContact CD1-O 3.25Å; E201-S219 PolarHBondContact N-O 3.5Å; E201-S219 PolarHBondContact OE2-OG 3.35Å |
| 220 | A | 94.8 | Very high | 89 | Confident | 2 Ų | 2 | 74.3 Ų | 74.3 | 2% | 0.017 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 134.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L136 Q159 P197 | L136-A220 HydrophobicContact CD1-CB 3.97Å; L136-A220 WeakPolarHBondContact CD1-O 3.45Å; Q159-A220 WeakPolarHBondContact CB-O 3.47Å; Q159-A220 WeakPolarHBondContact O-CB 3.42Å; Q159-A220 PolarHBondContact O-N 3.47Å; P197-A220 HydrophobicContact CB-CB 3.84Å; P197-A220 HydrophobicContact CG-CB 3.93Å |
| 221 | K | 94.6 | Very high | 89.5 | Confident | 136 Ų | 136 | 67.3 Ų | 67.3 | 59% | 0.591 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -33.1 | 174.7 | -175.2 | 172.9 | -178.3 | 175.5 | 0 | 112.9 | L136 K199 | L136-K221 WeakPolarHBondContact CD2-O 3.33Å; K199-K221 HydrophobicContact CB-CB 4.28Å; K199-K221 PolarHBondContact O-N 2.95Å |
| 222 | S | 93.9 | Very high | 89.8 | Confident | 34 Ų | 34 | 67.1 Ų | 67.1 | 24% | 0.238 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 148.9 | 178.5 | 59.7 | 0 | 0 | 0 | 0 | 111.2 | P197 T198 K199 | P197-S222 CarbonylContact C-O 3.51Å; P197-S222 WeakPolarHBondContact CA-O 3.33Å; T198-S222 PolarHBondContact N-O 3.31Å; T198-S222 PolarHBondContact OG1-O 3.23Å; T198-S222 PolarHBondContact OG1-OG 3.43Å; K199-S222 VanDerWaalsContact CB-OG 3.29Å; K199-S222 WeakPolarHBondContact CB-OG 3.36Å; K199-S222 WeakPolarHBondContact CG-OG 3.47Å; K199-S222 PolarHBondContact N-OG 3.12Å; K199-S222 PolarHBondContact O-N 3.38Å |
| 223 | C | 94.2 | Very high | 90.1 | Very high | 33 Ų | 33 | 60.5 Ų | 60.5 | 22% | 0.223 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 147.6 | 180 | -56.2 | 0 | 0 | 0 | 0 | 110.8 | L136 C161 R196 | L136-C223 WeakPolarHBondContact CD1-SG 3.44Å; C161-C223 WeakPolarHBondContact CA-SG 3.29Å; C161-C223 HydrophobicContact CB-CB 3.77Å; C161-C223 WeakPolarHBondContact CB-SG 3.4Å; C161-C223 WeakPolarHBondContact SG-CA 3.49Å; C161-C223 WeakPolarHBondContact SG-CB 3.48Å; C161-C223 CovalentContact SG-SG 2.03Å; C161-C223 PolarHBondContact SG-SG 3.37Å; R196-C223 WeakPolarHBondContact O-CA 3.34Å |
| 224 | G | 90.8 | Very high | 90.3 | Very high | 17 Ų | 17 | 61.1 Ų | 61.1 | 18% | 0.175 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 165.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R196 | R196-G224 PolarHBondContact N-O 3.44Å; R196-G224 PolarHBondContact O-N 3.3Å; R196-G224 VanDerWaalsContact O-O 3.12Å |
| 225 | C | 88.8 | Confident | 90.5 | Very high | 60 Ų | 60 | 55.7 Ų | 55.7 | 41% | 0.405 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 115.4 | 173.5 | -62.8 | 0 | 0 | 0 | 0 | 108.1 | C165 P193 | C165-C225 HydrophobicContact CB-CB 3.73Å; C165-C225 WeakPolarHBondContact CB-SG 3.09Å; C165-C225 VanDerWaalsContact SG-CA 3.6Å; C165-C225 WeakPolarHBondContact SG-CB 3.31Å; C165-C225 CovalentContact SG-SG 2.03Å; C165-C225 PolarHBondContact SG-SG 3.2Å; P193-C225 HydrophobicContact CB-CB 4.02Å; P193-C225 HydrophobicContact CG-CB 4.39Å |
| 226 | V | 85.3 | Confident | 90.8 | Very high | 124 Ų | 124 | 59.9 Ų | 59.9 | 75% | 0.752 | 36% | 0.358 | S | S | * | . | trans | -129.2 | 0 | -177.7 | -57.5 | 0 | 0 | 0 | 0 | 112 | P193 C194 R196 | P193-V226 CarbonylContact C-O 3.57Å; P193-V226 WeakPolarHBondContact CA-O 3.09Å; C194-V226 PolarHBondContact N-O 3.48Å; C194-V226 PolarHBondContact O-N 3.35Å; C194-V226 VanDerWaalsContact O-N 3.11Å; R196-V226 HydrophobicContact CB-CG2 3.6Å; R196-V226 HydrophobicContact CG-CG2 3.72Å |
Retrieved 226 of 226 residues in 242.9 ms
(Link to these results)