| 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 | 59.7 | Low | 79.4 | Confident | 173 Ų | 173 | 120.5 Ų | 120.5 | 85% | 0.852 | 60% | 0.598 | S | S | * | * | 0 | -58.2 | 0 | -63.5 | -72.7 | -111.3 | 0 | 0 | 112.2 | T3 I4 F5 | M1-T3 PolarHBondContact O-N 3.45Å; M1-I4 PolarHBondContact O-N 3.32Å; M1-F5 WeakPolarHBondContact O-CD2 3.49Å; M1-F5 PolarHBondContact O-N 3.46Å | |||
| 2 | K | 66.9 | Low | 79.6 | Confident | 174 Ų | 174 | 117.4 Ų | 117.4 | 76% | 0.757 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -58.7 | -44 | -175.2 | -65.5 | 176 | 179.6 | 176.6 | 0 | 114.2 | I4 F5 H6 | K2-I4 VanDerWaalsContact C-N 3.29Å; K2-I4 PolarHBondContact O-N 3.38Å; K2-F5 PolarHBondContact O-N 3.49Å; K2-H6 PolarHBondContact O-N 3.26Å; K2-H6 VanDerWaalsContact O-N 3.16Å; K2-H6 PolarHBondContact O-ND1 3.09Å |
| 3 | T | 73.2 | Confident | 80.1 | Confident | 110 Ų | 110 | 116.5 Ų | 116.5 | 68% | 0.675 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.5 | -32.8 | -178.7 | 49.2 | 0 | 0 | 0 | 0 | 113.9 | M1 H6 S7 | M1-T3 PolarHBondContact O-N 3.45Å; T3-H6 PolarHBondContact O-N 3.44Å; T3-S7 PolarHBondContact O-N 3.4Å; T3-S7 PolarHBondContact O-OG 3.31Å |
| 4 | I | 80.3 | Confident | 80.2 | Confident | 85 Ų | 85 | 117.1 Ų | 117.1 | 44% | 0.436 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.3 | -44 | 179.8 | -61.8 | 165.5 | 0 | 0 | 0 | 110 | M1 K2 H6 S7 F8 | M1-I4 PolarHBondContact O-N 3.32Å; K2-I4 VanDerWaalsContact C-N 3.29Å; K2-I4 PolarHBondContact O-N 3.38Å; I4-H6 PolarHBondContact O-N 3.48Å; I4-S7 WeakPolarHBondContact CA-OG 3.41Å; I4-S7 PolarHBondContact O-N 3.13Å; I4-S7 PolarHBondContact O-OG 3.12Å; I4-F8 HydrophobicContact CG2-CD2 3.67Å; I4-F8 HydrophobicContact CG2-CE2 3.37Å; I4-F8 WeakPolarHBondContact O-CD2 3.16Å; I4-F8 PolarHBondContact O-N 2.84Å |
| 5 | F | 81.5 | Confident | 80.2 | Confident | 130 Ų | 130 | 112.5 Ų | 112.5 | 57% | 0.57 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.7 | -39.5 | 175.6 | -69.1 | -69.6 | 0 | 0 | 0 | 112.3 | M1 K2 F8 L9 | M1-F5 WeakPolarHBondContact O-CD2 3.49Å; M1-F5 PolarHBondContact O-N 3.46Å; K2-F5 PolarHBondContact O-N 3.49Å; F5-F8 PolarHBondContact O-N 2.81Å; F5-L9 WeakPolarHBondContact O-CB 2.98Å; F5-L9 VanDerWaalsContact O-CG 3.26Å; F5-L9 WeakPolarHBondContact O-CG 3.08Å; F5-L9 PolarHBondContact O-N 2.83Å |
| 6 | H | 83.8 | Confident | 80 | Confident | 104 Ų | 104 | 109.1 Ų | 109.1 | 48% | 0.481 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.2 | -43.7 | 175.2 | -69.8 | 83.8 | 0 | 0 | 0 | 111.2 | K2 T3 I4 F8 L9 Y10 | K2-H6 PolarHBondContact O-N 3.26Å; K2-H6 VanDerWaalsContact O-N 3.16Å; K2-H6 PolarHBondContact O-ND1 3.09Å; T3-H6 PolarHBondContact O-N 3.44Å; I4-H6 PolarHBondContact O-N 3.48Å; H6-F8 VanDerWaalsContact C-N 3.32Å; H6-F8 PolarHBondContact O-N 2.98Å; H6-L9 PolarHBondContact O-N 2.89Å; H6-Y10 HydrophobicContact CB-CD2 4.39Å; H6-Y10 HydrophobicContact CB-CE2 4.38Å; H6-Y10 WeakPolarHBondContact O-CD2 3.36Å; H6-Y10 PolarHBondContact O-N 3.02Å |
| 7 | S | 84.6 | Confident | 79.7 | Confident | 68 Ų | 68 | 107.7 Ų | 107.7 | 48% | 0.476 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.3 | -38.9 | 177.4 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | T3 I4 C11 | T3-S7 PolarHBondContact O-N 3.4Å; T3-S7 PolarHBondContact O-OG 3.31Å; I4-S7 WeakPolarHBondContact CA-OG 3.41Å; I4-S7 PolarHBondContact O-N 3.13Å; I4-S7 PolarHBondContact O-OG 3.12Å; S7-C11 VanDerWaalsContact O-CB 3.29Å; S7-C11 WeakPolarHBondContact O-CB 3.2Å; S7-C11 PolarHBondContact O-N 3.4Å |
| 8 | F | 85.6 | Confident | 79.2 | Confident | 132 Ų | 132 | 104.9 Ų | 104.9 | 58% | 0.579 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.4 | -44.5 | 175.1 | -78.7 | -63.3 | 0 | 0 | 0 | 111.9 | I4 F5 H6 Y10 C11 C12 | I4-F8 HydrophobicContact CG2-CD2 3.67Å; I4-F8 HydrophobicContact CG2-CE2 3.37Å; I4-F8 WeakPolarHBondContact O-CD2 3.16Å; I4-F8 PolarHBondContact O-N 2.84Å; F5-F8 PolarHBondContact O-N 2.81Å; H6-F8 VanDerWaalsContact C-N 3.32Å; H6-F8 PolarHBondContact O-N 2.98Å; F8-Y10 PolarHBondContact O-N 2.71Å; F8-C11 PolarHBondContact O-N 2.91Å; F8-C12 PolarHBondContact O-N 3.43Å; F8-C12 PolarHBondContact O-SG 3.47Å |
| 9 | L | 85.8 | Confident | 78.5 | Confident | 110 Ų | 110 | 105.8 Ų | 105.8 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.2 | -43.9 | 177.2 | -70.8 | 171.1 | 0 | 0 | 0 | 112.1 | F5 H6 C11 C12 L13 | F5-L9 WeakPolarHBondContact O-CB 2.98Å; F5-L9 VanDerWaalsContact O-CG 3.26Å; F5-L9 WeakPolarHBondContact O-CG 3.08Å; F5-L9 PolarHBondContact O-N 2.83Å; H6-L9 PolarHBondContact O-N 2.89Å; L9-C11 VanDerWaalsContact C-N 3.34Å; L9-C11 PolarHBondContact O-N 3.44Å; L9-C12 PolarHBondContact O-N 2.96Å; L9-L13 WeakPolarHBondContact O-CB 3.38Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.35Å; L9-L13 PolarHBondContact O-N 2.88Å |
| 10 | Y | 87 | Confident | 77.6 | Confident | 156 Ų | 156 | 104.3 Ų | 104.3 | 61% | 0.612 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.4 | -39.3 | 174.7 | -79.9 | -66.2 | 0 | 0 | 0 | 112.2 | H6 F8 L13 L14 | H6-Y10 HydrophobicContact CB-CD2 4.39Å; H6-Y10 HydrophobicContact CB-CE2 4.38Å; H6-Y10 WeakPolarHBondContact O-CD2 3.36Å; H6-Y10 PolarHBondContact O-N 3.02Å; F8-Y10 PolarHBondContact O-N 2.71Å; Y10-L13 PolarHBondContact O-N 2.99Å; Y10-L14 WeakPolarHBondContact O-CB 3.17Å; Y10-L14 VanDerWaalsContact O-CG 3.29Å; Y10-L14 WeakPolarHBondContact O-CG 3.36Å; Y10-L14 PolarHBondContact O-N 2.72Å |
| 11 | C | 84.8 | Confident | 76.8 | Confident | 83 Ų | 83 | 103.3 Ų | 103.3 | 56% | 0.561 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.6 | -41.2 | 176.7 | -166 | 0 | 0 | 0 | 0 | 111.8 | S7 F8 L9 L14 A15 | S7-C11 VanDerWaalsContact O-CB 3.29Å; S7-C11 WeakPolarHBondContact O-CB 3.2Å; S7-C11 PolarHBondContact O-N 3.4Å; F8-C11 PolarHBondContact O-N 2.91Å; L9-C11 VanDerWaalsContact C-N 3.34Å; L9-C11 PolarHBondContact O-N 3.44Å; C11-L14 PolarHBondContact O-N 3.44Å; C11-A15 WeakPolarHBondContact O-CB 3.29Å; C11-A15 PolarHBondContact O-N 2.96Å |
| 12 | C | 82.1 | Confident | 76.7 | Confident | 84 Ų | 84 | 101.1 Ų | 101.1 | 57% | 0.568 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.7 | -39.4 | 176.5 | -67.2 | 0 | 0 | 0 | 0 | 112.3 | F8 L9 A15 S16 | F8-C12 PolarHBondContact O-N 3.43Å; F8-C12 PolarHBondContact O-SG 3.47Å; L9-C12 PolarHBondContact O-N 2.96Å; C12-A15 PolarHBondContact O-N 3.48Å; C12-S16 PolarHBondContact O-N 3.26Å; C12-S16 PolarHBondContact O-OG 3.3Å |
| 13 | L | 85.6 | Confident | 76.2 | Confident | 105 Ų | 105 | 100.7 Ų | 100.7 | 55% | 0.55 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66 | -40.2 | 175.6 | -71.4 | 171 | 0 | 0 | 0 | 112 | L9 Y10 S16 V17 | L9-L13 WeakPolarHBondContact O-CB 3.38Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.35Å; L9-L13 PolarHBondContact O-N 2.88Å; Y10-L13 PolarHBondContact O-N 2.99Å; L13-S16 PolarHBondContact O-OG 3.29Å; L13-V17 WeakPolarHBondContact O-CB 3.38Å; L13-V17 WeakPolarHBondContact O-CG2 3.21Å; L13-V17 PolarHBondContact O-N 3.32Å; L13-V17 VanDerWaalsContact O-N 3.09Å |
| 14 | L | 82.2 | Confident | 75.4 | Confident | 126 Ų | 126 | 103.4 Ų | 103.4 | 66% | 0.66 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.9 | -38.4 | 177 | -71.5 | 169.2 | 0 | 0 | 0 | 112 | Y10 C11 A18 | Y10-L14 WeakPolarHBondContact O-CB 3.17Å; Y10-L14 VanDerWaalsContact O-CG 3.29Å; Y10-L14 WeakPolarHBondContact O-CG 3.36Å; Y10-L14 PolarHBondContact O-N 2.72Å; C11-L14 PolarHBondContact O-N 3.44Å; L14-A18 VanDerWaalsContact O-CB 3.29Å; L14-A18 WeakPolarHBondContact O-CB 3.29Å; L14-A18 PolarHBondContact O-N 3.49Å |
| 15 | A | 80.8 | Confident | 74.4 | Confident | 47 Ų | 47 | 101.6 Ų | 101.6 | 39% | 0.388 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | C11 C12 A18 H19 | C11-A15 WeakPolarHBondContact O-CB 3.29Å; C11-A15 PolarHBondContact O-N 2.96Å; C12-A15 PolarHBondContact O-N 3.48Å; A15-A18 PolarHBondContact O-N 3.24Å; A15-H19 PolarHBondContact O-CD2 3.16Å; A15-H19 PolarHBondContact O-N 3.09Å |
| 16 | S | 76.1 | Confident | 73.5 | Confident | 58 Ų | 58 | 99.6 Ų | 99.6 | 41% | 0.406 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 177.4 | 64.2 | 0 | 0 | 0 | 0 | 111.9 | C12 L13 A18 H19 C20 | C12-S16 PolarHBondContact O-N 3.26Å; C12-S16 PolarHBondContact O-OG 3.3Å; L13-S16 PolarHBondContact O-OG 3.29Å; S16-A18 PolarHBondContact O-N 3.01Å; S16-H19 PolarHBondContact O-N 2.69Å; S16-C20 WeakPolarHBondContact O-CB 3.48Å; S16-C20 PolarHBondContact O-N 3.38Å; S16-C20 PolarHBondContact O-SG 2.02Å |
| 17 | V | 75 | Confident | 72.8 | Confident | 86 Ų | 86 | 98.8 Ų | 98.8 | 52% | 0.521 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | L13 H19 C20 V21 | L13-V17 WeakPolarHBondContact O-CB 3.38Å; L13-V17 WeakPolarHBondContact O-CG2 3.21Å; L13-V17 PolarHBondContact O-N 3.32Å; L13-V17 VanDerWaalsContact O-N 3.09Å; V17-H19 VanDerWaalsContact C-N 3.34Å; V17-H19 PolarHBondContact O-N 3.32Å; V17-C20 PolarHBondContact O-N 2.9Å; V17-V21 HydrophobicContact CG1-CG2 4.39Å; V17-V21 WeakPolarHBondContact O-CG2 3.31Å; V17-V21 PolarHBondContact O-N 3.43Å |
| 18 | A | 70.9 | Confident | 71.9 | Confident | 57 Ų | 57 | 101.4 Ų | 101.4 | 47% | 0.471 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60 | -45 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L14 A15 S16 V21 E22 | L14-A18 VanDerWaalsContact O-CB 3.29Å; L14-A18 WeakPolarHBondContact O-CB 3.29Å; L14-A18 PolarHBondContact O-N 3.49Å; A15-A18 PolarHBondContact O-N 3.24Å; S16-A18 PolarHBondContact O-N 3.01Å; A18-V21 PolarHBondContact O-N 2.76Å; A18-E22 WeakPolarHBondContact O-CB 3.05Å; A18-E22 PolarHBondContact O-N 2.96Å |
| 19 | H | 65.9 | Low | 71 | Confident | 123 Ų | 123 | 99.5 Ų | 99.5 | 57% | 0.569 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.9 | -36.3 | 176.1 | -73.2 | -54 | 0 | 0 | 0 | 112.9 | A15 S16 V17 E22 L23 | A15-H19 PolarHBondContact O-CD2 3.16Å; A15-H19 PolarHBondContact O-N 3.09Å; S16-H19 PolarHBondContact O-N 2.69Å; V17-H19 VanDerWaalsContact C-N 3.34Å; V17-H19 PolarHBondContact O-N 3.32Å; H19-E22 IonicContact ND1-OE2 3.36Å; H19-E22 PolarHBondContact O-N 3.01Å; H19-L23 WeakPolarHBondContact O-CB 3.29Å; H19-L23 PolarHBondContact O-N 2.96Å |
| 20 | C | 61 | Low | 70.4 | Confident | 74 Ų | 74 | 98.3 Ų | 98.3 | 50% | 0.5 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 174 | -70.3 | 0 | 0 | 0 | 0 | 112.1 | S16 V17 E22 L23 E24 | S16-C20 WeakPolarHBondContact O-CB 3.48Å; S16-C20 PolarHBondContact O-N 3.38Å; S16-C20 PolarHBondContact O-SG 2.02Å; V17-C20 PolarHBondContact O-N 2.9Å; C20-E22 VanDerWaalsContact C-N 3.29Å; C20-E22 PolarHBondContact O-N 2.9Å; C20-L23 PolarHBondContact O-N 3.12Å; C20-E24 WeakPolarHBondContact O-CB 2.95Å; C20-E24 PolarHBondContact O-N 3.42Å |
| 21 | V | 60.5 | Low | 69.9 | Low | 84 Ų | 84 | 97.6 Ų | 97.6 | 51% | 0.509 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.4 | -32 | 175.1 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | V17 A18 V25 | V17-V21 HydrophobicContact CG1-CG2 4.39Å; V17-V21 WeakPolarHBondContact O-CG2 3.31Å; V17-V21 PolarHBondContact O-N 3.43Å; A18-V21 PolarHBondContact O-N 2.76Å; V21-V25 HydrophobicContact CG1-CG2 4Å; V21-V25 WeakPolarHBondContact O-CG2 3.22Å; V21-V25 PolarHBondContact O-N 2.97Å |
| 22 | E | 57.6 | Low | 69.4 | Low | 128 Ų | 128 | 102 Ų | 102 | 60% | 0.598 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -70.6 | -37.7 | 177.5 | -160.7 | 160.9 | -147.1 | 0 | 0 | 112.3 | A18 H19 C20 K30 | A18-E22 WeakPolarHBondContact O-CB 3.05Å; A18-E22 PolarHBondContact O-N 2.96Å; H19-E22 IonicContact ND1-OE2 3.36Å; H19-E22 PolarHBondContact O-N 3.01Å; C20-E22 VanDerWaalsContact C-N 3.29Å; C20-E22 PolarHBondContact O-N 2.9Å; E22-K30 PolarHBondContact O-NZ 3.02Å; E22-K30 VanDerWaalsContact O-NZ 3.08Å |
| 23 | L | 55.8 | Low | 69.1 | Low | 165 Ų | 165 | 102.4 Ų | 102.4 | 86% | 0.864 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -80.9 | -33.8 | -178.8 | -144.5 | 81 | 0 | 0 | 0 | 113.8 | H19 C20 | H19-L23 WeakPolarHBondContact O-CB 3.29Å; H19-L23 PolarHBondContact O-N 2.96Å; C20-L23 PolarHBondContact O-N 3.12Å |
| 24 | E | 56.5 | Low | 68.6 | Low | 167 Ų | 167 | 100.8 Ų | 100.8 | 78% | 0.78 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -96.3 | -15.7 | -169.9 | -162.4 | 167.3 | -166 | 0 | 0 | 114 | C20 N26 | C20-E24 WeakPolarHBondContact O-CB 2.95Å; C20-E24 PolarHBondContact O-N 3.42Å; E24-N26 PolarHBondContact O-N 2.88Å; E24-N26 VanDerWaalsContact O-N 3.11Å |
| 25 | V | 58.7 | Low | 68.3 | Low | 46 Ų | 46 | 100.7 Ų | 100.7 | 28% | 0.279 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -86.9 | 96.2 | 178.3 | -172.2 | 0 | 0 | 0 | 0 | 109.7 | V21 L29 K30 | V21-V25 HydrophobicContact CG1-CG2 4Å; V21-V25 WeakPolarHBondContact O-CG2 3.22Å; V21-V25 PolarHBondContact O-N 2.97Å; V25-L29 HydrophobicContact CG1-CB 4.48Å; V25-K30 HydrophobicContact CB-CD 4.36Å; V25-K30 VanDerWaalsContact CB-CE 3.41Å; V25-K30 HydrophobicContact CB-CG 3.98Å; V25-K30 HydrophobicContact CG1-CB 4.45Å; V25-K30 HydrophobicContact CG1-CD 4.22Å; V25-K30 HydrophobicContact CG1-CG 3.32Å; V25-K30 VanDerWaalsContact O-CE 3.26Å; V25-K30 WeakPolarHBondContact O-CE 3.46Å |
| 26 | N | 63.8 | Low | 68.2 | Low | 88 Ų | 88 | 104.3 Ų | 104.3 | 47% | 0.471 | 54% | 0.539 | S | S | . | . | trans | -40.1 | 124.8 | 172.9 | -163.5 | -31.4 | 0 | 0 | 0 | 110.5 | E24 E28 L29 K30 | E24-N26 PolarHBondContact O-N 2.88Å; E24-N26 VanDerWaalsContact O-N 3.11Å; N26-E28 PolarHBondContact O-N 3.27Å; N26-L29 HydrophobicContact CB-CD1 4.15Å; N26-L29 HydrophobicContact CB-CG 4.24Å; N26-L29 WeakPolarHBondContact O-CA 3.43Å; N26-L29 WeakPolarHBondContact O-CB 3.09Å; N26-L29 PolarHBondContact O-N 3.4Å; N26-K30 PolarHBondContact O-N 3.23Å; N26-K30 VanDerWaalsContact O-N 3.17Å | ||
| 27 | P | 67.7 | Low | 68 | Low | 87 Ų | 87 | 106.4 Ų | 106.4 | 57% | 0.565 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -57.7 | -24.5 | -170.9 | 21.5 | -35.1 | 0 | 0 | 0 | 113.4 | K31 | P27-K31 WeakPolarHBondContact O-CG 3.26Å; P27-K31 PolarHBondContact O-N 3.37Å; P27-K31 VanDerWaalsContact O-N 3.15Å |
| 28 | E | 67.4 | Low | 68 | Low | 123 Ų | 123 | 104.1 Ų | 104.1 | 58% | 0.575 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.1 | -38.7 | 173.4 | -61.2 | -161.8 | 163.9 | 0 | 0 | 113.1 | N26 K31 R32 | N26-E28 PolarHBondContact O-N 3.27Å; E28-K31 PolarHBondContact O-N 2.98Å; E28-R32 WeakPolarHBondContact O-CG 3.47Å; E28-R32 PolarHBondContact O-N 3.34Å |
| 29 | L | 66.6 | Low | 67.9 | Low | 93 Ų | 93 | 103.6 Ų | 103.6 | 49% | 0.487 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.2 | -37.8 | 176.3 | -63.4 | 178.2 | 0 | 0 | 0 | 110.9 | V25 N26 K31 R32 L33 | V25-L29 HydrophobicContact CG1-CB 4.48Å; N26-L29 HydrophobicContact CB-CD1 4.15Å; N26-L29 HydrophobicContact CB-CG 4.24Å; N26-L29 WeakPolarHBondContact O-CA 3.43Å; N26-L29 WeakPolarHBondContact O-CB 3.09Å; N26-L29 PolarHBondContact O-N 3.4Å; L29-K31 VanDerWaalsContact C-N 3.33Å; L29-K31 PolarHBondContact O-N 2.94Å; L29-R32 PolarHBondContact O-N 3.38Å; L29-L33 VanDerWaalsContact O-CB 3.29Å; L29-L33 WeakPolarHBondContact O-CB 3.48Å; L29-L33 WeakPolarHBondContact O-CG 3.29Å; L29-L33 PolarHBondContact O-N 3.28Å |
| 30 | K | 73.3 | Confident | 67.9 | Low | 84 Ų | 84 | 103.5 Ų | 103.5 | 37% | 0.365 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.3 | -45.9 | 171.5 | -67.9 | -167.7 | -177.3 | 171.2 | 0 | 111.3 | E22 V25 N26 S34 | E22-K30 PolarHBondContact O-NZ 3.02Å; E22-K30 VanDerWaalsContact O-NZ 3.08Å; V25-K30 HydrophobicContact CB-CD 4.36Å; V25-K30 VanDerWaalsContact CB-CE 3.41Å; V25-K30 HydrophobicContact CB-CG 3.98Å; V25-K30 HydrophobicContact CG1-CB 4.45Å; V25-K30 HydrophobicContact CG1-CD 4.22Å; V25-K30 HydrophobicContact CG1-CG 3.32Å; V25-K30 VanDerWaalsContact O-CE 3.26Å; V25-K30 WeakPolarHBondContact O-CE 3.46Å; N26-K30 PolarHBondContact O-N 3.23Å; N26-K30 VanDerWaalsContact O-N 3.17Å; K30-S34 VanDerWaalsContact O-CB 3.29Å; K30-S34 WeakPolarHBondContact O-CB 3.49Å; K30-S34 PolarHBondContact O-N 3.47Å; K30-S34 PolarHBondContact O-OG 3.34Å; K30-S34 VanDerWaalsContact O-OG 3.11Å |
| 31 | K | 76.6 | Confident | 67.9 | Low | 142 Ų | 142 | 106.3 Ų | 106.3 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.3 | -43.6 | 177.9 | -72.9 | 175.2 | -176.1 | 179.1 | 0 | 112.1 | P27 E28 L29 S34 I35 | P27-K31 WeakPolarHBondContact O-CG 3.26Å; P27-K31 PolarHBondContact O-N 3.37Å; P27-K31 VanDerWaalsContact O-N 3.15Å; E28-K31 PolarHBondContact O-N 2.98Å; L29-K31 VanDerWaalsContact C-N 3.33Å; L29-K31 PolarHBondContact O-N 2.94Å; K31-S34 PolarHBondContact O-OG 2.91Å; K31-S34 VanDerWaalsContact O-OG 3.04Å; K31-I35 WeakPolarHBondContact O-CB 3.26Å; K31-I35 WeakPolarHBondContact O-CD1 3.45Å; K31-I35 WeakPolarHBondContact O-CG1 3.49Å; K31-I35 PolarHBondContact O-N 3.47Å |
| 32 | R | 74.2 | Confident | 67.9 | Low | 174 Ų | 174 | 111.5 Ų | 111.5 | 66% | 0.657 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.3 | -43 | 178.4 | -72.5 | -179.7 | -176.4 | -166.1 | 4.9 | 111.8 | E28 L29 W36 | E28-R32 WeakPolarHBondContact O-CG 3.47Å; E28-R32 PolarHBondContact O-N 3.34Å; L29-R32 PolarHBondContact O-N 3.38Å; R32-W36 VanDerWaalsContact O-CB 3.23Å; R32-W36 WeakPolarHBondContact O-CB 3.28Å; R32-W36 PolarHBondContact O-N 3.22Å |
| 33 | L | 74.6 | Confident | 67.9 | Low | 94 Ų | 94 | 111.5 Ų | 111.5 | 49% | 0.492 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.1 | -39.1 | 177.4 | -74.4 | 172.5 | 0 | 0 | 0 | 112.2 | L29 W36 L37 | L29-L33 VanDerWaalsContact O-CB 3.29Å; L29-L33 WeakPolarHBondContact O-CB 3.48Å; L29-L33 WeakPolarHBondContact O-CG 3.29Å; L29-L33 PolarHBondContact O-N 3.28Å; L33-W36 PolarHBondContact O-N 2.95Å; L33-L37 VanDerWaalsContact O-CB 3.29Å; L33-L37 WeakPolarHBondContact O-CB 3.35Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 2.89Å; L33-L37 PolarHBondContact O-N 2.96Å |
| 34 | S | 75.7 | Confident | 68 | Low | 71 Ų | 71 | 107.5 Ų | 107.5 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.8 | -39.9 | 177.8 | 67.4 | 0 | 0 | 0 | 0 | 112.4 | K30 K31 W36 G38 | K30-S34 VanDerWaalsContact O-CB 3.29Å; K30-S34 WeakPolarHBondContact O-CB 3.49Å; K30-S34 PolarHBondContact O-N 3.47Å; K30-S34 PolarHBondContact O-OG 3.34Å; K30-S34 VanDerWaalsContact O-OG 3.11Å; K31-S34 PolarHBondContact O-OG 2.91Å; K31-S34 VanDerWaalsContact O-OG 3.04Å; S34-W36 VanDerWaalsContact C-N 3.34Å; S34-G38 PolarHBondContact O-N 2.66Å |
| 35 | I | 76.3 | Confident | 68 | Low | 124 Ų | 124 | 105.6 Ų | 105.6 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.1 | -43.5 | 172.2 | -67 | 165.5 | 0 | 0 | 0 | 110.1 | K31 S39 | K31-I35 WeakPolarHBondContact O-CB 3.26Å; K31-I35 WeakPolarHBondContact O-CD1 3.45Å; K31-I35 WeakPolarHBondContact O-CG1 3.49Å; K31-I35 PolarHBondContact O-N 3.47Å; I35-S39 WeakPolarHBondContact O-CB 3.28Å; I35-S39 PolarHBondContact O-N 3.1Å |
| 36 | W | 77.7 | Confident | 67.9 | Low | 123 Ų | 123 | 109.8 Ų | 109.8 | 47% | 0.466 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.4 | -48.7 | 179.4 | -177.5 | 84.1 | 0 | 0 | 0 | 112.2 | R32 L33 S34 S39 R40 | R32-W36 VanDerWaalsContact O-CB 3.23Å; R32-W36 WeakPolarHBondContact O-CB 3.28Å; R32-W36 PolarHBondContact O-N 3.22Å; L33-W36 PolarHBondContact O-N 2.95Å; S34-W36 VanDerWaalsContact C-N 3.34Å; W36-S39 PolarHBondContact O-N 3.39Å; W36-S39 PolarHBondContact O-OG 3.49Å; W36-R40 PolarHBondContact O-N 3.32Å; W36-R40 VanDerWaalsContact O-N 3.08Å |
| 37 | L | 73.1 | Confident | 67.5 | Low | 101 Ų | 101 | 109 Ų | 109 | 53% | 0.529 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 176.2 | -73.9 | 173.5 | 0 | 0 | 0 | 111.6 | L33 S39 R40 L41 | L33-L37 VanDerWaalsContact O-CB 3.29Å; L33-L37 WeakPolarHBondContact O-CB 3.35Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 2.89Å; L33-L37 PolarHBondContact O-N 2.96Å; L37-S39 VanDerWaalsContact C-N 3.31Å; L37-S39 PolarHBondContact O-N 3.22Å; L37-R40 PolarHBondContact O-N 2.87Å; L37-R40 VanDerWaalsContact O-N 3.13Å; L37-L41 WeakPolarHBondContact O-CB 3.21Å; L37-L41 PolarHBondContact O-N 3.24Å |
| 38 | G | 73.3 | Confident | 67 | Low | 38 Ų | 38 | 108.2 Ų | 108.2 | 39% | 0.392 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.2 | -38.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S34 R40 R42 | S34-G38 PolarHBondContact O-N 2.66Å; G38-R40 VanDerWaalsContact C-N 3.32Å; G38-R40 PolarHBondContact O-N 3.41Å; G38-R42 PolarHBondContact O-N 3.16Å |
| 39 | S | 69 | Low | 66.4 | Low | 47 Ų | 47 | 105 Ų | 105 | 33% | 0.329 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.8 | -29.5 | 175.8 | 82.1 | 0 | 0 | 0 | 0 | 113.3 | I35 W36 L37 R43 | I35-S39 WeakPolarHBondContact O-CB 3.28Å; I35-S39 PolarHBondContact O-N 3.1Å; W36-S39 PolarHBondContact O-N 3.39Å; W36-S39 PolarHBondContact O-OG 3.49Å; L37-S39 VanDerWaalsContact C-N 3.31Å; L37-S39 PolarHBondContact O-N 3.22Å; S39-R43 PolarHBondContact O-NE 3.07Å; S39-R43 PolarHBondContact O-NH2 3.03Å; S39-R43 PolarHBondContact OG-NH2 2.91Å; S39-R43 VanDerWaalsContact OG-NH2 3.14Å |
| 40 | R | 65.7 | Low | 65.7 | Low | 121 Ų | 121 | 105 Ų | 105 | 46% | 0.457 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -82.1 | -44.2 | -178.3 | -156.3 | 175.2 | -171.8 | -173.4 | 1.3 | 110.9 | W36 L37 G38 R42 R43 D44 | W36-R40 PolarHBondContact O-N 3.32Å; W36-R40 VanDerWaalsContact O-N 3.08Å; L37-R40 PolarHBondContact O-N 2.87Å; L37-R40 VanDerWaalsContact O-N 3.13Å; G38-R40 VanDerWaalsContact C-N 3.32Å; G38-R40 PolarHBondContact O-N 3.41Å; R40-R42 VanDerWaalsContact C-N 3.31Å; R40-R42 PolarHBondContact O-N 2.91Å; R40-R43 PolarHBondContact O-N 2.86Å; R40-D44 PolarHBondContact O-N 3.08Å |
| 41 | L | 62.4 | Low | 64.6 | Low | 132 Ų | 132 | 107.3 Ų | 107.3 | 69% | 0.691 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.8 | -39.3 | 176.5 | -160.5 | 99.9 | 0 | 0 | 0 | 112.4 | L37 R43 D44 L45 | L37-L41 WeakPolarHBondContact O-CB 3.21Å; L37-L41 PolarHBondContact O-N 3.24Å; L41-R43 VanDerWaalsContact C-N 3.34Å; L41-R43 PolarHBondContact O-N 2.73Å; L41-D44 PolarHBondContact O-N 3.48Å; L41-L45 PolarHBondContact O-N 3.13Å |
| 42 | R | 60.2 | Low | 63.4 | Low | 194 Ų | 194 | 108.5 Ų | 108.5 | 73% | 0.732 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.4 | -41.4 | 174.2 | -89.9 | -175.8 | 155.4 | -170.4 | -6.4 | 112.7 | G38 R40 E46 | G38-R42 PolarHBondContact O-N 3.16Å; R40-R42 VanDerWaalsContact C-N 3.31Å; R40-R42 PolarHBondContact O-N 2.91Å; R42-E46 WeakPolarHBondContact O-CG 3.46Å; R42-E46 PolarHBondContact O-N 3.48Å |
| 43 | R | 57.7 | Low | 62.1 | Low | 128 Ų | 128 | 104.6 Ų | 104.6 | 48% | 0.483 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.8 | -37 | 178.6 | -74.5 | 178.5 | -83.4 | 131.6 | -10.5 | 112 | S39 R40 L41 T47 | S39-R43 PolarHBondContact O-NE 3.07Å; S39-R43 PolarHBondContact O-NH2 3.03Å; S39-R43 PolarHBondContact OG-NH2 2.91Å; S39-R43 VanDerWaalsContact OG-NH2 3.14Å; R40-R43 PolarHBondContact O-N 2.86Å; L41-R43 VanDerWaalsContact C-N 3.34Å; L41-R43 PolarHBondContact O-N 2.73Å; R43-T47 WeakPolarHBondContact O-CB 3.29Å; R43-T47 WeakPolarHBondContact O-CG2 3.35Å; R43-T47 PolarHBondContact O-N 3.39Å; R43-T47 PolarHBondContact O-OG1 3.02Å |
| 44 | D | 56.7 | Low | 60.8 | Low | 81 Ų | 81 | 103.5 Ų | 103.5 | 43% | 0.433 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -73.5 | -34.8 | -178.9 | -62.4 | -21.7 | 0 | 0 | 0 | 111.5 | R40 L41 T47 V48 | R40-D44 PolarHBondContact O-N 3.08Å; L41-D44 PolarHBondContact O-N 3.48Å; D44-T47 VanDerWaalsContact CA-OG1 3.31Å; D44-T47 WeakPolarHBondContact CA-OG1 3.29Å; D44-T47 PolarHBondContact O-OG1 3.37Å; D44-V48 WeakPolarHBondContact O-CB 3.49Å; D44-V48 WeakPolarHBondContact O-CG2 3.31Å; D44-V48 PolarHBondContact O-N 3.44Å |
| 45 | L | 57.9 | Low | 59.3 | Low | 126 Ų | 126 | 109.7 Ų | 109.7 | 66% | 0.66 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.3 | -41.1 | 173.8 | -170.6 | 67.3 | 0 | 0 | 0 | 112.4 | L41 A49 | L41-L45 PolarHBondContact O-N 3.13Å; L45-A49 VanDerWaalsContact O-CB 3.29Å; L45-A49 WeakPolarHBondContact O-CB 3.37Å; L45-A49 PolarHBondContact O-N 3.09Å |
| 46 | E | 55.4 | Low | 58.1 | Low | 135 Ų | 135 | 108.3 Ų | 108.3 | 63% | 0.631 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.5 | -40 | 175.7 | -75.9 | -178.3 | 179.6 | 0 | 0 | 111.8 | R42 A49 V50 | R42-E46 WeakPolarHBondContact O-CG 3.46Å; R42-E46 PolarHBondContact O-N 3.48Å; E46-A49 PolarHBondContact O-N 2.94Å; E46-V50 WeakPolarHBondContact O-CB 3.36Å; E46-V50 WeakPolarHBondContact O-CG2 3.34Å; E46-V50 PolarHBondContact O-N 2.85Å |
| 47 | T | 55.8 | Low | 56.7 | Low | 71 Ų | 71 | 110 Ų | 110 | 44% | 0.436 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.5 | -36.5 | 177.7 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | R43 D44 V50 Q51 | R43-T47 WeakPolarHBondContact O-CB 3.29Å; R43-T47 WeakPolarHBondContact O-CG2 3.35Å; R43-T47 PolarHBondContact O-N 3.39Å; R43-T47 PolarHBondContact O-OG1 3.02Å; D44-T47 VanDerWaalsContact CA-OG1 3.31Å; D44-T47 WeakPolarHBondContact CA-OG1 3.29Å; D44-T47 PolarHBondContact O-OG1 3.37Å; T47-V50 PolarHBondContact O-N 3.05Å; T47-Q51 WeakPolarHBondContact O-CB 3.23Å; T47-Q51 WeakPolarHBondContact O-CG 3.33Å; T47-Q51 PolarHBondContact O-N 3.3Å |
| 48 | V | 56.8 | Low | 55.8 | Low | 71 Ų | 71 | 112.5 Ų | 112.5 | 43% | 0.43 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.7 | -35.2 | 174.2 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | D44 Q51 K52 | D44-V48 WeakPolarHBondContact O-CB 3.49Å; D44-V48 WeakPolarHBondContact O-CG2 3.31Å; D44-V48 PolarHBondContact O-N 3.44Å; V48-Q51 PolarHBondContact O-N 2.94Å; V48-K52 WeakPolarHBondContact O-CG 3.29Å; V48-K52 PolarHBondContact O-N 3.44Å; V48-K52 VanDerWaalsContact O-N 3.12Å |
| 49 | A | 54.7 | Low | 54.9 | Low | 55 Ų | 55 | 121 Ų | 121 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.1 | -43.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L45 E46 K52 T53 | L45-A49 VanDerWaalsContact O-CB 3.29Å; L45-A49 WeakPolarHBondContact O-CB 3.37Å; L45-A49 PolarHBondContact O-N 3.09Å; E46-A49 PolarHBondContact O-N 2.94Å; A49-K52 PolarHBondContact O-N 3.42Å; A49-T53 PolarHBondContact O-N 2.92Å |
| 50 | V | 52.9 | Low | 54 | Low | 94 Ų | 94 | 123.6 Ų | 123.6 | 57% | 0.57 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.1 | -32.8 | 175.7 | 169.8 | 0 | 0 | 0 | 0 | 112.3 | E46 T47 T53 A54 | E46-V50 WeakPolarHBondContact O-CB 3.36Å; E46-V50 WeakPolarHBondContact O-CG2 3.34Å; E46-V50 PolarHBondContact O-N 2.85Å; T47-V50 PolarHBondContact O-N 3.05Å; V50-T53 PolarHBondContact O-N 3.5Å; V50-T53 PolarHBondContact O-OG1 3.47Å; V50-A54 WeakPolarHBondContact O-CB 3.19Å; V50-A54 PolarHBondContact O-N 3.09Å; V50-A54 VanDerWaalsContact O-N 3.13Å |
| 51 | Q | 50.4 | Low | 53.4 | Low | 132 Ų | 132 | 125 Ų | 125 | 62% | 0.617 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.6 | -31 | 175.8 | -83.1 | -178.6 | 11.2 | 0 | 0 | 113.4 | T47 V48 T53 A54 | T47-Q51 WeakPolarHBondContact O-CB 3.23Å; T47-Q51 WeakPolarHBondContact O-CG 3.33Å; T47-Q51 PolarHBondContact O-N 3.3Å; V48-Q51 PolarHBondContact O-N 2.94Å; Q51-T53 VanDerWaalsContact C-N 3.3Å; Q51-A54 PolarHBondContact O-N 3.07Å |
| 52 | K | 51.5 | Low | 53.1 | Low | 167 Ų | 167 | 123.5 Ų | 123.5 | 73% | 0.726 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.9 | -29.2 | 174.7 | -77.4 | -178.2 | 179.1 | -178.2 | 0 | 112.2 | V48 A49 | V48-K52 WeakPolarHBondContact O-CG 3.29Å; V48-K52 PolarHBondContact O-N 3.44Å; V48-K52 VanDerWaalsContact O-N 3.12Å; A49-K52 PolarHBondContact O-N 3.42Å |
| 53 | T | 46.2 | Very low | 52.9 | Low | 91 Ų | 91 | 118.4 Ų | 118.4 | 56% | 0.558 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -83.5 | -22.9 | 174.4 | 55.4 | 0 | 0 | 0 | 0 | 113.2 | A49 V50 Q51 | A49-T53 PolarHBondContact O-N 2.92Å; V50-T53 PolarHBondContact O-N 3.5Å; V50-T53 PolarHBondContact O-OG1 3.47Å; Q51-T53 VanDerWaalsContact C-N 3.3Å |
| 54 | A | 46.8 | Very low | 52.7 | Low | 71 Ų | 71 | 118.1 Ų | 118.1 | 59% | 0.587 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -81.4 | -11 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | V50 Q51 | V50-A54 WeakPolarHBondContact O-CB 3.19Å; V50-A54 PolarHBondContact O-N 3.09Å; V50-A54 VanDerWaalsContact O-N 3.13Å; Q51-A54 PolarHBondContact O-N 3.07Å |
| 55 | K | 44.5 | Very low | 52.7 | Low | 201 Ų | 201 | 119.5 Ų | 119.5 | 87% | 0.874 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -3.7 | -178.5 | -88.6 | -176.1 | 176.2 | 179 | 0 | 114.9 | ||
| 56 | S | 52.3 | Low | 52.4 | Low | 96 Ų | 96 | 124.3 Ų | 124.3 | 67% | 0.671 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -125 | 9 | -172.5 | 60.9 | 0 | 0 | 0 | 0 | 116.2 | ||
| 57 | E | 47.8 | Very low | 51.9 | Low | 159 Ų | 159 | 124 Ų | 124 | 74% | 0.743 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -126.3 | 130.9 | 179.3 | -72.5 | -174.7 | 166 | 0 | 0 | 112.2 | ||
| 58 | N | 53.1 | Low | 51.6 | Low | 152 Ų | 152 | 127.9 Ų | 127.9 | 81% | 0.813 | 66% | 0.656 | S | S | * | * | trans | -48 | 145.2 | -175.2 | -68.6 | -50.2 | 0 | 0 | 0 | 112.5 | V60 | N58-V60 CarbonylContact O-C 3.39Å; N58-V60 PolarHBondContact O-N 3.47Å | ||
| 59 | F | 55.1 | Low | 51.3 | Low | 217 Ų | 217 | 131.8 Ų | 131.8 | 95% | 0.952 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -63.4 | 7.8 | -174.8 | -139.3 | -96.2 | 0 | 0 | 0 | 115.3 | ||
| 60 | V | 49.4 | Very low | 51.1 | Low | 102 Ų | 102 | 135.9 Ų | 135.9 | 62% | 0.618 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -130.9 | 109.7 | 171.9 | -177.7 | 0 | 0 | 0 | 0 | 106.9 | N58 | N58-V60 CarbonylContact O-C 3.39Å; N58-V60 PolarHBondContact O-N 3.47Å |
| 61 | R | 54.4 | Low | 50.7 | Low | 149 Ų | 149 | 137.4 Ų | 137.4 | 56% | 0.562 | 70% | 0.7 | S | S | * | * | trans | -72.3 | 136.1 | 174.7 | -115.1 | -171.4 | 123.8 | -166.2 | -3.3 | 108.4 | E63 D64 | R61-E63 HydrophobicContact CB-CB 4.5Å; R61-E63 WeakPolarHBondContact CB-OE2 3.33Å; R61-E63 WeakPolarHBondContact CD-OE2 3.48Å; R61-E63 WeakPolarHBondContact CG-OE2 3.22Å; R61-E63 IonicContact CZ-OE1 3.82Å; R61-E63 IonicContact CZ-OE2 2.72Å; R61-E63 IonicContact NE-OE1 3.6Å; R61-E63 PolarHBondContact NE-OE1 3.31Å; R61-E63 VanDerWaalsContact NE-OE1 3.09Å; R61-E63 IonicContact NE-OE2 3.64Å; R61-E63 PolarHBondContact NE-OE2 2.69Å; R61-E63 VanDerWaalsContact NH2-CD 3.34Å; R61-E63 IonicContact NH2-OE1 2.85Å; R61-E63 PolarHBondContact NH2-OE1 2.8Å; R61-E63 IonicContact NH2-OE2 3.92Å; R61-E63 PolarHBondContact O-N 2.9Å; R61-D64 PolarHBondContact O-N 3.01Å | ||
| 62 | P | 55.7 | Low | 50.6 | Low | 102 Ų | 102 | 138.6 Ų | 138.6 | 66% | 0.662 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -57.5 | -17.1 | 173.2 | 22.7 | -31.5 | 0 | 0 | 0 | 113.1 | D64 I65 | P62-D64 VanDerWaalsContact C-N 3.32Å; P62-D64 PolarHBondContact O-N 2.99Å; P62-I65 PolarHBondContact O-N 2.93Å |
| 63 | E | 55.2 | Low | 50.8 | Low | 87 Ų | 87 | 136.7 Ų | 136.7 | 41% | 0.407 | 71% | 0.712 | S | S | . | * | G | 310 helix | trans | -72.9 | -15 | 174.1 | -59.4 | 85.9 | 160.8 | 0 | 0 | 114.8 | R61 I65 | R61-E63 HydrophobicContact CB-CB 4.5Å; R61-E63 WeakPolarHBondContact CB-OE2 3.33Å; R61-E63 WeakPolarHBondContact CD-OE2 3.48Å; R61-E63 WeakPolarHBondContact CG-OE2 3.22Å; R61-E63 IonicContact CZ-OE1 3.82Å; R61-E63 IonicContact CZ-OE2 2.72Å; R61-E63 IonicContact NE-OE1 3.6Å; R61-E63 PolarHBondContact NE-OE1 3.31Å; R61-E63 VanDerWaalsContact NE-OE1 3.09Å; R61-E63 IonicContact NE-OE2 3.64Å; R61-E63 PolarHBondContact NE-OE2 2.69Å; R61-E63 VanDerWaalsContact NH2-CD 3.34Å; R61-E63 IonicContact NH2-OE1 2.85Å; R61-E63 PolarHBondContact NH2-OE1 2.8Å; R61-E63 IonicContact NH2-OE2 3.92Å; R61-E63 PolarHBondContact O-N 2.9Å; E63-I65 VanDerWaalsContact C-N 3.28Å |
| 64 | D | 54.5 | Low | 51 | Low | 121 Ų | 121 | 137 Ų | 137 | 65% | 0.647 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -81.6 | -11.2 | 175.7 | -69.5 | -34.7 | 0 | 0 | 0 | 112.4 | R61 P62 R66 | R61-D64 PolarHBondContact O-N 3.01Å; P62-D64 VanDerWaalsContact C-N 3.32Å; P62-D64 PolarHBondContact O-N 2.99Å; D64-R66 PolarHBondContact O-N 2.68Å |
| 65 | I | 56.5 | Low | 51.2 | Low | 110 Ų | 110 | 140 Ų | 140 | 56% | 0.564 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -85.8 | 105.7 | 169.3 | -53.8 | 173.4 | 0 | 0 | 0 | 106.6 | P62 E63 D67 | P62-I65 PolarHBondContact O-N 2.93Å; E63-I65 VanDerWaalsContact C-N 3.28Å; I65-D67 VanDerWaalsContact C-N 3.3Å; I65-D67 PolarHBondContact O-N 3.03Å |
| 66 | R | 52.3 | Low | 51.5 | Low | 228 Ų | 228 | 138.1 Ų | 138.1 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | trans | -68 | 87.9 | 177.8 | -68.2 | -175.4 | -143.4 | -147.3 | 2.3 | 110.6 | D64 I68 | D64-R66 PolarHBondContact O-N 2.68Å; R66-I68 PolarHBondContact O-N 2.83Å | ||
| 67 | D | 43.3 | Very low | 51.4 | Low | 129 Ų | 129 | 140 Ų | 140 | 69% | 0.69 | 73% | 0.73 | S | S | * | * | trans | -77.2 | 105.4 | 162.3 | -79.7 | -18.3 | 0 | 0 | 0 | 108.9 | I65 L69 | I65-D67 VanDerWaalsContact C-N 3.3Å; I65-D67 PolarHBondContact O-N 3.03Å; D67-L69 PolarHBondContact O-N 3.14Å | ||
| 68 | I | 50.3 | Low | 51.7 | Low | 152 Ų | 152 | 142 Ų | 142 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -2.1 | -173.1 | -70.5 | 170.2 | 0 | 0 | 0 | 113.1 | R66 | R66-I68 PolarHBondContact O-N 2.83Š|
| 69 | L | 51.4 | Low | 51.5 | Low | 152 Ų | 152 | 140.6 Ų | 140.6 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.4 | 5.8 | -159.4 | -64 | 177.3 | 0 | 0 | 0 | 118 | D67 | D67-L69 PolarHBondContact O-N 3.14Š|
| 70 | L | 48.5 | Very low | 51.3 | Low | 141 Ų | 141 | 140.4 Ų | 140.4 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | trans | -136 | 132.4 | 176.5 | -68.5 | 171.8 | 0 | 0 | 0 | 113.9 | H72 | L70-H72 PolarHBondContact O-N 2.74Š| ||
| 71 | P | 46.3 | Very low | 51.4 | Low | 127 Ų | 127 | 140.4 Ų | 140.4 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | trans | -79.5 | 109.6 | 176.7 | 30.5 | -29.7 | 0 | 0 | 0 | 110.3 | S73 | P71-S73 PolarHBondContact O-N 2.78Š| ||
| 72 | H | 46.8 | Very low | 51.1 | Low | 157 Ų | 157 | 143.1 Ų | 143.1 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | -67.3 | 129.2 | 172.2 | -76.6 | -56.4 | 0 | 0 | 0 | 112.2 | L70 S74 | L70-H72 PolarHBondContact O-N 2.74Å; H72-S74 PolarHBondContact O-N 3.29Å | ||
| 73 | S | 57.3 | Low | 51 | Low | 126 Ų | 126 | 147.8 Ų | 147.8 | 88% | 0.881 | 74% | 0.741 | S | S | * | * | trans | -77.2 | 90.2 | 166.2 | 164.8 | 0 | 0 | 0 | 0 | 109.3 | P71 | P71-S73 PolarHBondContact O-N 2.78Š| ||
| 74 | S | 50.2 | Low | 51.2 | Low | 99 Ų | 99 | 148.8 Ų | 148.8 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | trans | -93.6 | 134.1 | 173.3 | 63.8 | 0 | 0 | 0 | 0 | 111.9 | H72 | H72-S74 PolarHBondContact O-N 3.29Š| ||
| 75 | T | 50.6 | Low | 51.4 | Low | 134 Ų | 134 | 148.2 Ų | 148.2 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -58.5 | 131.2 | -178.6 | 43.3 | 0 | 0 | 0 | 0 | 115.1 | I77 | T75-I77 PolarHBondContact O-N 3.33Å; T75-I77 VanDerWaalsContact O-N 3.1Å | ||
| 76 | D | 50.1 | Low | 52 | Low | 161 Ų | 161 | 145.1 Ų | 145.1 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 54.8 | 22.5 | 143.2 | -116.6 | 8.8 | 0 | 0 | 0 | 122.9 | ||
| 77 | I | 50.8 | Low | 53.2 | Low | 136 Ų | 136 | 137.5 Ų | 137.5 | 70% | 0.697 | 75% | 0.746 | S | S | * | * | trans | -105.5 | 117 | 147.1 | -58.3 | 172.3 | 0 | 0 | 0 | 105.2 | T75 I79 | T75-I77 PolarHBondContact O-N 3.33Å; T75-I77 VanDerWaalsContact O-N 3.1Å; I77-I79 HydrophobicContact CB-CG1 4.29Å; I77-I79 HydrophobicContact CG2-CG1 3.82Å; I77-I79 PolarHBondContact O-N 2.94Å | ||
| 78 | K | 52.9 | Low | 54.6 | Low | 199 Ų | 199 | 136.3 Ų | 136.3 | 87% | 0.865 | 75% | 0.754 | S | S | * | * | trans | -67.2 | 62.1 | 170.7 | -69.3 | -179.1 | -176.8 | 174.5 | 0 | 109.8 | R80 | K78-R80 VanDerWaalsContact C-N 3.26Å; K78-R80 PolarHBondContact O-N 3.05Å | ||
| 79 | I | 50.6 | Low | 56.1 | Low | 124 Ų | 124 | 134.8 Ų | 134.8 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | -58.6 | 104.1 | 153.6 | -58.1 | 176.1 | 0 | 0 | 0 | 102.7 | I77 T81 | I77-I79 HydrophobicContact CB-CG1 4.29Å; I77-I79 HydrophobicContact CG2-CG1 3.82Å; I77-I79 PolarHBondContact O-N 2.94Å; I79-T81 PolarHBondContact O-N 2.86Å | ||
| 80 | R | 50.8 | Low | 57.3 | Low | 212 Ų | 212 | 130.7 Ų | 130.7 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | trans | -59.6 | 89.4 | 166.3 | 179.8 | -177.6 | 178.6 | 92.4 | -2.8 | 105 | K78 K82 | K78-R80 VanDerWaalsContact C-N 3.26Å; K78-R80 PolarHBondContact O-N 3.05Å; R80-K82 PolarHBondContact O-N 2.84Å | ||
| 81 | T | 50.4 | Low | 59 | Low | 103 Ų | 103 | 129.4 Ų | 129.4 | 63% | 0.632 | 74% | 0.74 | S | S | * | * | trans | -50.9 | 120.9 | 164.7 | 45.2 | 0 | 0 | 0 | 0 | 103.9 | I79 R83 | I79-T81 PolarHBondContact O-N 2.86Å; T81-R83 PolarHBondContact O-N 3.29Å | ||
| 82 | K | 48.2 | Very low | 60.8 | Low | 205 Ų | 205 | 124 Ų | 124 | 89% | 0.891 | 71% | 0.705 | S | S | * | * | trans | -62.7 | 92 | 175.4 | -155.3 | -173.2 | -171.2 | -172.7 | 0 | 103.2 | R80 S84 | R80-K82 PolarHBondContact O-N 2.84Å; K82-S84 PolarHBondContact O-N 3.46Å | ||
| 83 | R | 54.2 | Low | 62.5 | Low | 201 Ų | 201 | 119.9 Ų | 119.9 | 76% | 0.758 | 69% | 0.693 | S | S | * | * | trans | -51.4 | 115.9 | 175.1 | -62.6 | -177.4 | -165.3 | 133.8 | -0.5 | 103.4 | T81 A85 | T81-R83 PolarHBondContact O-N 3.29Å; R83-A85 PolarHBondContact O-N 3.44Å | ||
| 84 | S | 58.7 | Low | 64 | Low | 108 Ų | 108 | 118.6 Ų | 118.6 | 76% | 0.755 | 68% | 0.68 | S | S | * | * | trans | -55 | 101.5 | 155.1 | 45.8 | 0 | 0 | 0 | 0 | 103.3 | K82 G86 | K82-S84 PolarHBondContact O-N 3.46Å; S84-G86 PolarHBondContact O-N 2.92Å | ||
| 85 | A | 59.2 | Low | 65.7 | Low | 109 Ų | 109 | 120.8 Ų | 120.8 | 90% | 0.901 | 68% | 0.679 | S | S | * | * | trans | -73.6 | 63.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | R83 | R83-A85 PolarHBondContact O-N 3.44Š| ||
| 86 | G | 69.9 | Low | 67.4 | Low | 44 Ų | 44 | 116.4 Ų | 116.4 | 45% | 0.454 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -152.2 | 140.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | S84 | S84-G86 PolarHBondContact O-N 2.92Š|
| 87 | C | 76 | Confident | 69.1 | Low | 69 Ų | 69 | 114 Ų | 114 | 47% | 0.466 | 64% | 0.639 | S | S | . | * | trans | -64.2 | 137.4 | 177 | 161.6 | 0 | 0 | 0 | 0 | 110.3 | C92 | C87-C92 HydrophobicContact CB-CB 3.6Å; C87-C92 WeakPolarHBondContact CB-SG 3.16Å; C87-C92 PolarHBondContact O-SG 3.2Å; C87-C92 WeakPolarHBondContact SG-CB 3.35Å; C87-C92 CovalentContact SG-SG 2.02Å; C87-C92 PolarHBondContact SG-SG 2.94Å | ||
| 88 | A | 74.3 | Confident | 70.9 | Confident | 104 Ų | 104 | 110.1 Ų | 110.1 | 86% | 0.86 | 63% | 0.627 | S | S | * | * | trans | -101.7 | 5.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 89 | L | 80.8 | Confident | 72.5 | Confident | 119 Ų | 119 | 106.1 Ų | 106.1 | 62% | 0.623 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -80 | 144.4 | 177.5 | -58.5 | 173.4 | 0 | 0 | 0 | 110.1 | T91 C92 | L89-T91 WeakPolarHBondContact CB-OG1 3.49Å; L89-T91 PolarHBondContact O-N 3.24Å; L89-T91 VanDerWaalsContact O-N 3.09Å; L89-C92 PolarHBondContact N-SG 3.37Å; L89-C92 VanDerWaalsContact N-SG 3.42Å; L89-C92 PolarHBondContact O-N 3.28Å; L89-C92 VanDerWaalsContact O-N 3.12Å; L89-C92 PolarHBondContact O-SG 2.86Å |
| 90 | G | 76.9 | Confident | 74.1 | Confident | 67 Ų | 67 | 107.4 Ų | 107.4 | 69% | 0.691 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -56.9 | -28.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | C92 S93 | G90-C92 VanDerWaalsContact C-N 3.32Å; G90-C92 PolarHBondContact O-N 2.86Å; G90-S93 VanDerWaalsContact O-CB 3.29Å; G90-S93 WeakPolarHBondContact O-CB 3.06Å; G90-S93 PolarHBondContact O-N 3.35Å; G90-S93 PolarHBondContact O-OG 2.89Å |
| 91 | T | 84.7 | Confident | 75.9 | Confident | 113 Ų | 113 | 100.9 Ų | 100.9 | 69% | 0.693 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -67.5 | -25.6 | 179.8 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | L89 | L89-T91 WeakPolarHBondContact CB-OG1 3.49Å; L89-T91 PolarHBondContact O-N 3.24Å; L89-T91 VanDerWaalsContact O-N 3.09Å |
| 92 | C | 83 | Confident | 77.4 | Confident | 14 Ų | 14 | 100.4 Ų | 100.4 | 10% | 0.095 | 58% | 0.582 | C | S | . | * | G | 310 helix | trans | -95.2 | 1.9 | 179.9 | 55.2 | 0 | 0 | 0 | 0 | 113.5 | C87 L89 G90 V94 H95 V96 | C87-C92 HydrophobicContact CB-CB 3.6Å; C87-C92 WeakPolarHBondContact CB-SG 3.16Å; C87-C92 PolarHBondContact O-SG 3.2Å; C87-C92 WeakPolarHBondContact SG-CB 3.35Å; C87-C92 CovalentContact SG-SG 2.02Å; C87-C92 PolarHBondContact SG-SG 2.94Å; L89-C92 PolarHBondContact N-SG 3.37Å; L89-C92 VanDerWaalsContact N-SG 3.42Å; L89-C92 PolarHBondContact O-N 3.28Å; L89-C92 VanDerWaalsContact O-N 3.12Å; L89-C92 PolarHBondContact O-SG 2.86Å; G90-C92 VanDerWaalsContact C-N 3.32Å; G90-C92 PolarHBondContact O-N 2.86Å; C92-V94 VanDerWaalsContact C-N 3.3Å; C92-V94 PolarHBondContact O-N 3.04Å; C92-H95 PolarHBondContact O-N 3.11Å; C92-H95 VanDerWaalsContact O-N 3.16Å; C92-V96 WeakPolarHBondContact O-CG2 3.34Å; C92-V96 PolarHBondContact O-N 3.44Å |
| 93 | S | 82.6 | Confident | 79 | Confident | 70 Ų | 70 | 94.8 Ų | 94.8 | 49% | 0.49 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -53.3 | -44.7 | 176.2 | 57.8 | 0 | 0 | 0 | 0 | 112.7 | G90 V96 L97 | G90-S93 VanDerWaalsContact O-CB 3.29Å; G90-S93 WeakPolarHBondContact O-CB 3.06Å; G90-S93 PolarHBondContact O-N 3.35Å; G90-S93 PolarHBondContact O-OG 2.89Å; S93-V96 PolarHBondContact O-N 3.12Å; S93-L97 VanDerWaalsContact O-CB 3.28Å; S93-L97 WeakPolarHBondContact O-CB 3.42Å; S93-L97 PolarHBondContact O-N 3.38Å |
| 94 | V | 87.9 | Confident | 80.2 | Confident | 99 Ų | 99 | 91.8 Ų | 91.8 | 60% | 0.6 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.6 | -42.5 | 178.8 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | C92 L97 A98 | C92-V94 VanDerWaalsContact C-N 3.3Å; C92-V94 PolarHBondContact O-N 3.04Å; V94-L97 PolarHBondContact O-N 3.08Å; V94-A98 WeakPolarHBondContact O-CB 3.35Å; V94-A98 PolarHBondContact O-N 3.03Å |
| 95 | H | 87 | Confident | 81.1 | Confident | 145 Ų | 145 | 93 Ų | 93 | 67% | 0.671 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.2 | -39.9 | 179.2 | -69.4 | 85.7 | 0 | 0 | 0 | 111.8 | C92 L97 H99 | C92-H95 PolarHBondContact O-N 3.11Å; C92-H95 VanDerWaalsContact O-N 3.16Å; H95-L97 VanDerWaalsContact C-N 3.34Å; H95-H99 WeakPolarHBondContact O-CB 3.29Å; H95-H99 PolarHBondContact O-N 3.43Å |
| 96 | V | 85.3 | Confident | 81.6 | Confident | 42 Ų | 42 | 90.9 Ų | 90.9 | 26% | 0.255 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.5 | -41 | 173.7 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | C92 S93 R100 | C92-V96 WeakPolarHBondContact O-CG2 3.34Å; C92-V96 PolarHBondContact O-N 3.44Å; S93-V96 PolarHBondContact O-N 3.12Å; V96-R100 WeakPolarHBondContact O-CB 3.34Å; V96-R100 VanDerWaalsContact O-CG 3.31Å; V96-R100 WeakPolarHBondContact O-CG 3.26Å; V96-R100 PolarHBondContact O-N 3.15Å |
| 97 | L | 87.5 | Confident | 81.2 | Confident | 110 Ų | 110 | 92.7 Ų | 92.7 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.6 | -48.1 | 177.4 | -175.5 | 139.2 | 0 | 0 | 0 | 111.4 | S93 V94 H95 H99 R100 V101 | S93-L97 VanDerWaalsContact O-CB 3.28Å; S93-L97 WeakPolarHBondContact O-CB 3.42Å; S93-L97 PolarHBondContact O-N 3.38Å; V94-L97 PolarHBondContact O-N 3.08Å; H95-L97 VanDerWaalsContact C-N 3.34Å; L97-H99 VanDerWaalsContact C-N 3.32Å; L97-H99 PolarHBondContact O-N 2.96Å; L97-R100 PolarHBondContact O-N 3.43Å; L97-R100 VanDerWaalsContact O-N 3.12Å; L97-V101 HydrophobicContact CD2-CG2 4.09Å; L97-V101 HydrophobicContact CG-CG2 4.45Å; L97-V101 WeakPolarHBondContact O-CG2 3.35Å; L97-V101 PolarHBondContact O-N 3.3Å |
| 98 | A | 88.4 | Confident | 80.4 | Confident | 56 Ų | 56 | 98.1 Ų | 98.1 | 46% | 0.463 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57 | -46.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V94 R100 V101 Q102 | V94-A98 WeakPolarHBondContact O-CB 3.35Å; V94-A98 PolarHBondContact O-N 3.03Å; A98-R100 PolarHBondContact O-N 3Å; A98-V101 PolarHBondContact O-N 3.11Å; A98-Q102 PolarHBondContact O-N 3.16Å |
| 99 | H | 86.1 | Confident | 79.6 | Confident | 114 Ų | 114 | 100.1 Ų | 100.1 | 53% | 0.528 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 175.8 | 176.7 | -104.8 | 0 | 0 | 0 | 112.4 | H95 L97 Q102 Q103 | H95-H99 WeakPolarHBondContact O-CB 3.29Å; H95-H99 PolarHBondContact O-N 3.43Å; L97-H99 VanDerWaalsContact C-N 3.32Å; L97-H99 PolarHBondContact O-N 2.96Å; H99-Q102 PolarHBondContact O-N 3Å; H99-Q103 PolarHBondContact CE1-NE2 2.99Å; H99-Q103 PolarHBondContact NE2-NE2 3.17Å; H99-Q103 WeakPolarHBondContact O-CG 3.38Å; H99-Q103 PolarHBondContact O-N 3.46Å |
| 100 | R | 83.7 | Confident | 78.5 | Confident | 151 Ų | 151 | 101.3 Ų | 101.3 | 57% | 0.57 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.1 | -42.8 | 176.8 | -76.1 | 177.4 | -177.1 | -178.3 | 3.4 | 112.2 | V96 L97 A98 Q102 Q103 F104 | V96-R100 WeakPolarHBondContact O-CB 3.34Å; V96-R100 VanDerWaalsContact O-CG 3.31Å; V96-R100 WeakPolarHBondContact O-CG 3.26Å; V96-R100 PolarHBondContact O-N 3.15Å; L97-R100 PolarHBondContact O-N 3.43Å; L97-R100 VanDerWaalsContact O-N 3.12Å; A98-R100 PolarHBondContact O-N 3Å; R100-Q102 VanDerWaalsContact C-N 3.3Å; R100-Q102 PolarHBondContact O-N 3.33Å; R100-Q103 WeakPolarHBondContact O-CB 3.48Å; R100-Q103 PolarHBondContact O-N 2.92Å; R100-F104 HydrophobicContact CB-CE2 4.39Å; R100-F104 WeakPolarHBondContact O-CD2 3.5Å; R100-F104 PolarHBondContact O-N 3.44Å |
| 101 | V | 88.1 | Confident | 77.5 | Confident | 75 Ų | 75 | 104 Ų | 104 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 177.8 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | L97 A98 F104 K105 | L97-V101 HydrophobicContact CD2-CG2 4.09Å; L97-V101 HydrophobicContact CG-CG2 4.45Å; L97-V101 WeakPolarHBondContact O-CG2 3.35Å; L97-V101 PolarHBondContact O-N 3.3Å; A98-V101 PolarHBondContact O-N 3.11Å; V101-F104 PolarHBondContact O-N 2.85Å; V101-K105 HydrophobicContact CG1-CD 4.43Å; V101-K105 WeakPolarHBondContact O-CG 3.46Å; V101-K105 PolarHBondContact O-N 2.81Å |
| 102 | Q | 82.9 | Confident | 76.3 | Confident | 94 Ų | 94 | 102.9 Ų | 102.9 | 44% | 0.439 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 176 | -174.7 | 58.5 | 25.9 | 0 | 0 | 111.7 | A98 H99 R100 F104 K105 D106 | A98-Q102 PolarHBondContact O-N 3.16Å; H99-Q102 PolarHBondContact O-N 3Å; R100-Q102 VanDerWaalsContact C-N 3.3Å; R100-Q102 PolarHBondContact O-N 3.33Å; Q102-F104 VanDerWaalsContact C-N 3.31Å; Q102-F104 PolarHBondContact O-N 2.99Å; Q102-K105 PolarHBondContact O-N 3.39Å; Q102-K105 VanDerWaalsContact O-N 3.16Å; Q102-D106 PolarHBondContact NE2-OD1 3.01Å; Q102-D106 PolarHBondContact NE2-OD2 3.43Å; Q102-D106 VanDerWaalsContact O-CG 3.31Å; Q102-D106 PolarHBondContact O-N 3.36Å |
| 103 | Q | 81.2 | Confident | 75.2 | Confident | 86 Ų | 86 | 106.5 Ų | 106.5 | 40% | 0.402 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 174.4 | -74.3 | -173.5 | -12.8 | 0 | 0 | 112.5 | H99 R100 K105 D106 N107 | H99-Q103 PolarHBondContact CE1-NE2 2.99Å; H99-Q103 PolarHBondContact NE2-NE2 3.17Å; H99-Q103 WeakPolarHBondContact O-CG 3.38Å; H99-Q103 PolarHBondContact O-N 3.46Å; R100-Q103 WeakPolarHBondContact O-CB 3.48Å; R100-Q103 PolarHBondContact O-N 2.92Å; Q103-K105 VanDerWaalsContact C-N 3.35Å; Q103-D106 PolarHBondContact O-N 3.26Å; Q103-N107 WeakPolarHBondContact O-CB 3.12Å; Q103-N107 PolarHBondContact O-N 3.03Å; Q103-N107 PolarHBondContact O-ND2 2.99Å |
| 104 | F | 79.8 | Confident | 74.3 | Confident | 139 Ų | 139 | 106.5 Ų | 106.5 | 61% | 0.61 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.4 | -37.6 | 177.1 | -77.3 | -63.2 | 0 | 0 | 0 | 112.3 | R100 V101 Q102 K108 | R100-F104 HydrophobicContact CB-CE2 4.39Å; R100-F104 WeakPolarHBondContact O-CD2 3.5Å; R100-F104 PolarHBondContact O-N 3.44Å; V101-F104 PolarHBondContact O-N 2.85Å; Q102-F104 VanDerWaalsContact C-N 3.31Å; Q102-F104 PolarHBondContact O-N 2.99Å; F104-K108 WeakPolarHBondContact O-CG 3.46Å; F104-K108 PolarHBondContact O-N 3.29Å |
| 105 | K | 78.1 | Confident | 73 | Confident | 133 Ų | 133 | 108.2 Ų | 108.2 | 58% | 0.578 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64 | -46.5 | 173.8 | -71.3 | 179.2 | 74 | -176.2 | 0 | 111.5 | V101 Q102 Q103 N107 K108 | V101-K105 HydrophobicContact CG1-CD 4.43Å; V101-K105 WeakPolarHBondContact O-CG 3.46Å; V101-K105 PolarHBondContact O-N 2.81Å; Q102-K105 PolarHBondContact O-N 3.39Å; Q102-K105 VanDerWaalsContact O-N 3.16Å; Q103-K105 VanDerWaalsContact C-N 3.35Å; K105-N107 VanDerWaalsContact C-N 3.35Å; K105-N107 PolarHBondContact O-N 3.06Å; K105-K108 PolarHBondContact O-N 3.37Å |
| 106 | D | 68.3 | Low | 71.7 | Confident | 64 Ų | 64 | 107.9 Ų | 107.9 | 34% | 0.342 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.5 | -33 | -180 | -64.8 | -21.6 | 0 | 0 | 0 | 112.3 | Q102 Q103 L109 K110 | Q102-D106 PolarHBondContact NE2-OD1 3.01Å; Q102-D106 PolarHBondContact NE2-OD2 3.43Å; Q102-D106 VanDerWaalsContact O-CG 3.31Å; Q102-D106 PolarHBondContact O-N 3.36Å; Q103-D106 PolarHBondContact O-N 3.26Å; D106-L109 PolarHBondContact O-N 2.9Å; D106-K110 WeakPolarHBondContact O-CG 3.33Å; D106-K110 PolarHBondContact O-N 3.19Å |
| 107 | N | 63 | Low | 70.6 | Confident | 82 Ų | 82 | 111.7 Ų | 111.7 | 44% | 0.439 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -78.9 | -26.7 | 179.4 | -67.9 | -24.4 | 0 | 0 | 0 | 112.6 | Q103 K105 L109 K110 | Q103-N107 WeakPolarHBondContact O-CB 3.12Å; Q103-N107 PolarHBondContact O-N 3.03Å; Q103-N107 PolarHBondContact O-ND2 2.99Å; K105-N107 VanDerWaalsContact C-N 3.35Å; K105-N107 PolarHBondContact O-N 3.06Å; N107-L109 PolarHBondContact O-N 3.35Å; N107-K110 CarbonylContact O-C 3.59Å; N107-K110 PolarHBondContact O-N 3.48Å |
| 108 | K | 59 | Low | 69.2 | Low | 183 Ų | 183 | 113.4 Ų | 113.4 | 80% | 0.796 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.2 | -28 | 168.8 | -80.8 | -175.7 | 179.6 | -166.9 | 0 | 112.2 | F104 K105 | F104-K108 WeakPolarHBondContact O-CG 3.46Å; F104-K108 PolarHBondContact O-N 3.29Å; K105-K108 PolarHBondContact O-N 3.37Å |
| 109 | L | 56.7 | Low | 68 | Low | 146 Ų | 146 | 113 Ų | 113 | 76% | 0.764 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -82.4 | -20.6 | 172.7 | -70.6 | 163.7 | 0 | 0 | 0 | 112.9 | D106 N107 T111 | D106-L109 PolarHBondContact O-N 2.9Å; N107-L109 PolarHBondContact O-N 3.35Å; L109-T111 PolarHBondContact O-N 2.87Å |
| 110 | K | 58 | Low | 66.8 | Low | 145 Ų | 145 | 112.6 Ų | 112.6 | 63% | 0.63 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -94.1 | 72.2 | 175.4 | -64.8 | 171 | -172.9 | 171.4 | 0 | 109.2 | D106 N107 S112 | D106-K110 WeakPolarHBondContact O-CG 3.33Å; D106-K110 PolarHBondContact O-N 3.19Å; N107-K110 CarbonylContact O-C 3.59Å; N107-K110 PolarHBondContact O-N 3.48Å; K110-S112 PolarHBondContact O-N 2.81Å |
| 111 | T | 55.4 | Low | 65.8 | Low | 123 Ų | 123 | 113.6 Ų | 113.6 | 76% | 0.755 | 59% | 0.587 | S | S | * | * | trans | -43.8 | 126.5 | 165.5 | -48 | 0 | 0 | 0 | 0 | 108.7 | L109 | L109-T111 PolarHBondContact O-N 2.87Š| ||
| 112 | S | 59.2 | Low | 64.8 | Low | 89 Ų | 89 | 110.5 Ų | 110.5 | 62% | 0.622 | 57% | 0.57 | S | S | * | * | trans | -12.9 | 131.7 | -179.3 | 62 | 0 | 0 | 0 | 0 | 115.8 | K110 P114 | K110-S112 PolarHBondContact O-N 2.81Å; S112-P114 VanDerWaalsContact O-N 3.08Å | ||
| 113 | V | 59.9 | Low | 63.9 | Low | 90 Ų | 90 | 116.1 Ų | 116.1 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | trans | -37.9 | 121.9 | 163.8 | 174.5 | 0 | 0 | 0 | 0 | 108.8 | I115 K117 | V113-I115 PolarHBondContact O-N 3.19Å; V113-K117 HydrophobicContact CG1-CB 3.68Å | ||
| 114 | P | 63.8 | Low | 63 | Low | 71 Ų | 71 | 115.6 Ų | 115.6 | 46% | 0.461 | 61% | 0.607 | S | S | . | * | trans | -54.5 | 136.8 | -174.6 | 14.8 | -26.9 | 0 | 0 | 0 | 109.2 | S112 N116 K117 | S112-P114 VanDerWaalsContact O-N 3.08Å; P114-N116 PolarHBondContact O-N 3.18Å; P114-K117 HydrophobicContact CG-CB 4.48Å; P114-K117 HydrophobicContact CG-CD 4.1Å; P114-K117 HydrophobicContact CG-CG 4.06Å; P114-K117 WeakPolarHBondContact O-CA 3.33Å; P114-K117 WeakPolarHBondContact O-CB 3.49Å; P114-K117 PolarHBondContact O-N 3.33Å | ||
| 115 | I | 62.2 | Low | 61.8 | Low | 135 Ų | 135 | 119 Ų | 119 | 69% | 0.692 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -50.8 | -33.5 | -176.9 | -66.1 | 163.3 | 0 | 0 | 0 | 111.2 | V113 K117 M118 S119 | V113-I115 PolarHBondContact O-N 3.19Å; I115-K117 PolarHBondContact O-N 3.29Å; I115-K117 VanDerWaalsContact O-N 3.13Å; I115-M118 WeakPolarHBondContact O-CA 3.3Å; I115-M118 WeakPolarHBondContact O-CB 3.46Å; I115-M118 PolarHBondContact O-N 3.17Å; I115-S119 PolarHBondContact O-N 2.6Å |
| 116 | N | 59 | Low | 60.4 | Low | 137 Ų | 137 | 123.2 Ų | 123.2 | 73% | 0.733 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -59 | -24.7 | 175.6 | -61.9 | -13.3 | 0 | 0 | 0 | 113.6 | P114 | P114-N116 PolarHBondContact O-N 3.18Å |
| 117 | K | 61.5 | Low | 59.7 | Low | 122 Ų | 122 | 131.6 Ų | 131.6 | 53% | 0.53 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -91.4 | -11 | 172.9 | -66.6 | -167.1 | -176.8 | -172.5 | 0 | 113.9 | V113 P114 I115 | V113-K117 HydrophobicContact CG1-CB 3.68Å; P114-K117 HydrophobicContact CG-CB 4.48Å; P114-K117 HydrophobicContact CG-CD 4.1Å; P114-K117 HydrophobicContact CG-CG 4.06Å; P114-K117 WeakPolarHBondContact O-CA 3.33Å; P114-K117 WeakPolarHBondContact O-CB 3.49Å; P114-K117 PolarHBondContact O-N 3.33Å; I115-K117 PolarHBondContact O-N 3.29Å; I115-K117 VanDerWaalsContact O-N 3.13Å |
| 118 | M | 59.8 | Low | 59.2 | Low | 147 Ų | 147 | 137.7 Ų | 137.7 | 72% | 0.724 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -86 | -19.1 | 169 | -73.8 | -172.2 | 146.4 | 0 | 0 | 113 | I115 | I115-M118 WeakPolarHBondContact O-CA 3.3Å; I115-M118 WeakPolarHBondContact O-CB 3.46Å; I115-M118 PolarHBondContact O-N 3.17Å |
| 119 | S | 62.6 | Low | 59.2 | Low | 46 Ų | 46 | 134.1 Ų | 134.1 | 32% | 0.322 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -55.3 | 151.5 | 172.9 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | I115 H121 G122 | I115-S119 PolarHBondContact O-N 2.6Å; S119-H121 PolarHBondContact O-N 3.26Å; S119-H121 PolarHBondContact OG-N 3.15Å; S119-G122 WeakPolarHBondContact O-CA 3.19Å; S119-G122 PolarHBondContact O-N 2.93Å |
| 120 | P | 61 | Low | 59.3 | Low | 106 Ų | 106 | 130.6 Ų | 130.6 | 69% | 0.688 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.9 | -21.1 | 170 | -27.6 | 35.3 | 0 | 0 | 0 | 114.6 | ||
| 121 | H | 62.9 | Low | 59.4 | Low | 173 Ų | 173 | 127.7 Ų | 127.7 | 80% | 0.801 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 1.6 | 177 | -57.6 | 87 | 0 | 0 | 0 | 113.5 | S119 | S119-H121 PolarHBondContact O-N 3.26Å; S119-H121 PolarHBondContact OG-N 3.15Å |
| 122 | G | 66.5 | Low | 59.8 | Low | 10 Ų | 10 | 127.7 Ų | 127.7 | 10% | 0.103 | 64% | 0.641 | C | S | . | * | S | Bend | trans | -73.2 | 142.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S119 G124 | S119-G122 WeakPolarHBondContact O-CA 3.19Å; S119-G122 PolarHBondContact O-N 2.93Å; G122-G124 PolarHBondContact O-N 2.98Å |
| 123 | Y | 63.8 | Low | 60 | Low | 211 Ų | 211 | 131.3 Ų | 131.3 | 83% | 0.827 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 119.9 | -179.7 | -137.1 | -90.6 | 0 | 0 | 0 | 111 | ||
| 124 | G | 62.4 | Low | 60.4 | Low | 75 Ų | 75 | 130.9 Ų | 130.9 | 77% | 0.773 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 125.2 | -20.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115 | G122 R126 | G122-G124 PolarHBondContact O-N 2.98Å; G124-R126 PolarHBondContact O-N 3.37Å |
| 125 | R | 55 | Low | 61 | Low | 211 Ų | 211 | 132.1 Ų | 132.1 | 80% | 0.796 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -84.4 | 95.7 | 165.3 | -137.1 | 174.5 | -171.2 | -110.3 | 5 | 106.8 | R127 | R125-R127 PolarHBondContact O-N 2.85Š|
| 126 | R | 48.9 | Very low | 61.7 | Low | 222 Ų | 222 | 127.6 Ų | 127.6 | 84% | 0.838 | 62% | 0.615 | S | S | * | * | trans | -22.8 | 119.4 | 172.7 | -126.4 | 176.1 | -173.9 | 156.6 | -0.5 | 110 | G124 R128 | G124-R126 PolarHBondContact O-N 3.37Å; R126-R128 PolarHBondContact O-N 3.42Å | ||
| 127 | R | 52.3 | Low | 62.9 | Low | 240 Ų | 240 | 126.5 Ų | 126.5 | 91% | 0.906 | 61% | 0.609 | S | S | * | * | trans | -43.1 | 65.5 | 176.3 | -59.8 | 177.3 | 176.2 | -148.6 | 0.2 | 113.2 | R125 S129 | R125-R127 PolarHBondContact O-N 2.85Å; R127-S129 PolarHBondContact O-N 2.91Å | ||
| 128 | R | 53.1 | Low | 63.8 | Low | 209 Ų | 209 | 128 Ų | 128 | 79% | 0.789 | 61% | 0.611 | S | S | * | * | trans | -76.8 | 112.8 | 164.1 | -67 | -175.7 | -173.3 | -174 | 1.1 | 102.6 | R126 V130 | R126-R128 PolarHBondContact O-N 3.42Å; R128-V130 PolarHBondContact O-N 3.35Å; R128-V130 VanDerWaalsContact O-N 3.09Å | ||
| 129 | S | 59.4 | Low | 64.9 | Low | 108 Ų | 108 | 128.3 Ų | 128.3 | 76% | 0.755 | 61% | 0.613 | S | S | * | * | trans | -42.6 | 123.5 | 165.3 | 37.7 | 0 | 0 | 0 | 0 | 106.8 | R127 P131 | R127-S129 PolarHBondContact O-N 2.91Å; S129-P131 VanDerWaalsContact O-N 3.14Å | ||
| 130 | V | 59.1 | Low | 65.7 | Low | 73 Ų | 73 | 130.6 Ų | 130.6 | 44% | 0.442 | 62% | 0.618 | S | S | . | * | trans | -57.3 | 124.9 | 172.5 | -177.9 | 0 | 0 | 0 | 0 | 105 | R128 E132 N151 | R128-V130 PolarHBondContact O-N 3.35Å; R128-V130 VanDerWaalsContact O-N 3.09Å; V130-E132 PolarHBondContact O-N 3.06Å; V130-N151 WeakPolarHBondContact CG1-ND2 3.43Å | ||
| 131 | P | 60.2 | Low | 66.6 | Low | 84 Ų | 84 | 134.1 Ų | 134.1 | 55% | 0.545 | 63% | 0.625 | S | S | . | * | trans | -55.1 | 132.6 | -177.2 | 20.4 | -30.9 | 0 | 0 | 0 | 108.7 | S129 R133 N151 | S129-P131 VanDerWaalsContact O-N 3.14Å; P131-R133 PolarHBondContact O-N 3.44Å; P131-R133 VanDerWaalsContact O-N 3.12Å; P131-N151 PolarHBondContact O-ND2 2.91Å | ||
| 132 | E | 62.8 | Low | 67.6 | Low | 122 Ų | 122 | 129.3 Ų | 129.3 | 57% | 0.57 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -59.8 | -25 | -176.6 | -165.3 | 177.8 | -174.2 | 0 | 0 | 111.3 | V130 L150 N151 | V130-E132 PolarHBondContact O-N 3.06Å; E132-L150 HydrophobicContact CG-CD2 4.08Å; E132-L150 CarbonylContact O-C 3.51Å; E132-L150 VanDerWaalsContact O-CA 3.3Å; E132-L150 WeakPolarHBondContact O-CA 3.42Å; E132-N151 PolarHBondContact O-N 3.44Å |
| 133 | R | 63.1 | Low | 68.1 | Low | 165 Ų | 165 | 138 Ų | 138 | 62% | 0.623 | 65% | 0.652 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.2 | 122.4 | 172.7 | -60.2 | -179.9 | -173.3 | -178.1 | 0.3 | 109.7 | P131 W148 S149 L150 | P131-R133 PolarHBondContact O-N 3.44Å; P131-R133 VanDerWaalsContact O-N 3.12Å; R133-W148 HydrophobicContact CB-CE3 4.12Å; R133-S149 WeakPolarHBondContact CA-O 3.48Å; R133-L150 HydrophobicContact CG-CD2 4.03Å; R133-L150 HydrophobicContact CG-CG 4.28Å |
| 134 | Q | 68.7 | Low | 69.1 | Low | 81 Ų | 81 | 133.6 Ų | 133.6 | 38% | 0.379 | 64% | 0.643 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.4 | 140.2 | 171.1 | -66.7 | -170.3 | -3.7 | 0 | 0 | 109.6 | S136 S149 N151 | Q134-S136 PolarHBondContact O-N 2.89Å; Q134-S149 PolarHBondContact N-O 2.73Å; Q134-S149 PolarHBondContact O-N 3.09Å; Q134-S149 VanDerWaalsContact O-O 3.09Å; Q134-S149 PolarHBondContact O-OG 2.99Å; Q134-N151 PolarHBondContact NE2-ND2 2.73Å |
| 135 | I | 77.4 | Confident | 70 | Confident | 98 Ų | 98 | 136 Ų | 136 | 50% | 0.503 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.2 | 115.8 | 170.7 | -56.6 | 170.8 | 0 | 0 | 0 | 106.7 | P146 W148 | I135-P146 HydrophobicContact CG2-CB 3.79Å; I135-W148 HydrophobicContact CD1-CE3 4.42Å; I135-W148 HydrophobicContact CD1-CH2 3.44Å; I135-W148 VanDerWaalsContact CD1-CH2 3.44Å; I135-W148 HydrophobicContact CD1-CZ2 3.63Å; I135-W148 HydrophobicContact CD1-CZ3 3.86Å; I135-W148 HydrophobicContact CG1-CD2 3.83Å; I135-W148 HydrophobicContact CG1-CE3 3.53Å; I135-W148 HydrophobicContact CG1-CH2 3.49Å; I135-W148 VanDerWaalsContact CG1-CH2 3.49Å; I135-W148 HydrophobicContact CG1-CZ2 3.75Å; I135-W148 HydrophobicContact CG1-CZ3 3.36Å |
| 136 | S | 77.3 | Confident | 71.2 | Confident | 39 Ų | 39 | 130 Ų | 130 | 27% | 0.273 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.6 | 142.8 | 168.7 | 53.4 | 0 | 0 | 0 | 0 | 109.2 | Q134 V147 S149 | Q134-S136 PolarHBondContact O-N 2.89Å; S136-V147 PolarHBondContact N-O 3.3Å; S136-V147 PolarHBondContact O-N 2.81Å; S136-V147 PolarHBondContact OG-O 3.02Å; S136-S149 PolarHBondContact OG-OG 2.82Å; S136-S149 VanDerWaalsContact OG-OG 3.06Å |
| 137 | L | 82.4 | Confident | 72.7 | Confident | 114 Ų | 114 | 121.9 Ų | 121.9 | 60% | 0.597 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.5 | 117.1 | 172.3 | -62.9 | 176.9 | 0 | 0 | 0 | 107.6 | R145 P146 | L137-R145 WeakPolarHBondContact CA-O 3.42Å; L137-P146 HydrophobicContact CD2-CB 4.07Å |
| 138 | R | 81.6 | Confident | 73.6 | Confident | 155 Ų | 155 | 118.7 Ų | 118.7 | 59% | 0.585 | 58% | 0.58 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.9 | 133.9 | 172.1 | -71.3 | -168.6 | 175.8 | -166.4 | -2.4 | 109.1 | E140 R145 V147 | R138-E140 PolarHBondContact O-N 2.84Å; R138-R145 PolarHBondContact N-O 2.87Å; R138-R145 PolarHBondContact O-N 3.31Å; R138-V147 HydrophobicContact CB-CG2 4.04Å; R138-V147 HydrophobicContact CG-CB 4.35Å; R138-V147 HydrophobicContact CG-CG2 4.17Å |
| 139 | M | 81.9 | Confident | 74.3 | Confident | 152 Ų | 152 | 110.3 Ų | 110.3 | 75% | 0.749 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.5 | 110 | 172.7 | -168.5 | 172.3 | 69.4 | 0 | 0 | 107.6 | L144 | M139-L144 HydrophobicContact CB-CD2 4.04Å; M139-L144 HydrophobicContact CG-CD2 4.38Å |
| 140 | E | 80.6 | Confident | 74.6 | Confident | 95 Ų | 95 | 109.7 Ų | 109.7 | 44% | 0.444 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121 | 177 | -169.1 | 174.5 | -138.6 | 0 | 0 | 106.6 | R138 G142 R143 R145 | R138-E140 PolarHBondContact O-N 2.84Å; E140-G142 VanDerWaalsContact C-N 3.26Å; E140-G142 PolarHBondContact O-N 3.09Å; E140-G142 VanDerWaalsContact O-N 3.15Å; E140-R143 PolarHBondContact N-O 2.81Å; E140-R143 PolarHBondContact O-N 3.44Å; E140-R143 VanDerWaalsContact O-O 3.07Å; E140-R145 WeakPolarHBondContact OE2-CD 3.45Å; E140-R145 IonicContact OE2-CZ 3.93Å; E140-R145 IonicContact OE2-NE 2.89Å; E140-R145 IonicContact OE2-NH1 3.09Å; E140-R145 PolarHBondContact OE2-NH1 3.17Å |
| 141 | E | 78.9 | Confident | 74.8 | Confident | 179 Ų | 179 | 108.9 Ų | 108.9 | 84% | 0.836 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 40.5 | 177 | -58.7 | 174.6 | 169.9 | 0 | 0 | 113.8 | R143 | E141-R143 PolarHBondContact O-N 3.12Š|
| 142 | G | 84.4 | Confident | 74.7 | Confident | 72 Ų | 72 | 109.4 Ų | 109.4 | 74% | 0.742 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 5.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | E140 | E140-G142 VanDerWaalsContact C-N 3.26Å; E140-G142 PolarHBondContact O-N 3.09Å; E140-G142 VanDerWaalsContact O-N 3.15Å |
| 143 | R | 77.5 | Confident | 74.5 | Confident | 192 Ų | 192 | 107.3 Ų | 107.3 | 73% | 0.725 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 137.5 | 173.8 | -63.3 | -175.4 | -179.2 | -162.6 | 1.1 | 110.6 | E140 E141 R145 | E140-R143 PolarHBondContact N-O 2.81Å; E140-R143 PolarHBondContact O-N 3.44Å; E140-R143 VanDerWaalsContact O-O 3.07Å; E141-R143 PolarHBondContact O-N 3.12Å; R143-R145 PolarHBondContact O-N 3.23Å |
| 144 | L | 84.9 | Confident | 74.2 | Confident | 120 Ų | 120 | 105.2 Ų | 105.2 | 63% | 0.628 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 110.2 | 173.6 | -67.5 | 175.6 | 0 | 0 | 0 | 109.1 | M139 | M139-L144 HydrophobicContact CB-CD2 4.04Å; M139-L144 HydrophobicContact CG-CD2 4.38Å |
| 145 | R | 81.2 | Confident | 73.7 | Confident | 125 Ų | 125 | 104.2 Ų | 104.2 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 132.8 | 175.2 | -73.9 | -175.9 | 173.8 | 178.8 | -2.1 | 110.8 | L137 R138 E140 R143 V147 | L137-R145 WeakPolarHBondContact CA-O 3.42Å; R138-R145 PolarHBondContact N-O 2.87Å; R138-R145 PolarHBondContact O-N 3.31Å; E140-R145 WeakPolarHBondContact OE2-CD 3.45Å; E140-R145 IonicContact OE2-CZ 3.93Å; E140-R145 IonicContact OE2-NE 2.89Å; E140-R145 IonicContact OE2-NH1 3.09Å; E140-R145 PolarHBondContact OE2-NH1 3.17Å; R143-R145 PolarHBondContact O-N 3.23Å; R145-V147 PolarHBondContact O-N 3.13Å |
| 146 | P | 80.3 | Confident | 72.8 | Confident | 86 Ų | 86 | 105.8 Ų | 105.8 | 56% | 0.558 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 117.6 | 170.8 | 29 | -31 | 0 | 0 | 0 | 109.7 | I135 L137 | I135-P146 HydrophobicContact CG2-CB 3.79Å; L137-P146 HydrophobicContact CD2-CB 4.07Å |
| 147 | V | 79.4 | Confident | 71.9 | Confident | 50 Ų | 50 | 111 Ų | 111 | 30% | 0.303 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.4 | 130.4 | 177.1 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | S136 R138 R145 S149 | S136-V147 PolarHBondContact N-O 3.3Å; S136-V147 PolarHBondContact O-N 2.81Å; S136-V147 PolarHBondContact OG-O 3.02Å; R138-V147 HydrophobicContact CB-CG2 4.04Å; R138-V147 HydrophobicContact CG-CB 4.35Å; R138-V147 HydrophobicContact CG-CG2 4.17Å; R145-V147 PolarHBondContact O-N 3.13Å; V147-S149 PolarHBondContact O-N 2.98Å |
| 148 | W | 71.9 | Confident | 71.1 | Confident | 173 Ų | 173 | 110.3 Ų | 110.3 | 66% | 0.655 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 111 | 172.9 | -67.6 | 93.9 | 0 | 0 | 0 | 109.3 | R133 I135 | R133-W148 HydrophobicContact CB-CE3 4.12Å; I135-W148 HydrophobicContact CD1-CE3 4.42Å; I135-W148 HydrophobicContact CD1-CH2 3.44Å; I135-W148 VanDerWaalsContact CD1-CH2 3.44Å; I135-W148 HydrophobicContact CD1-CZ2 3.63Å; I135-W148 HydrophobicContact CD1-CZ3 3.86Å; I135-W148 HydrophobicContact CG1-CD2 3.83Å; I135-W148 HydrophobicContact CG1-CE3 3.53Å; I135-W148 HydrophobicContact CG1-CH2 3.49Å; I135-W148 VanDerWaalsContact CG1-CH2 3.49Å; I135-W148 HydrophobicContact CG1-CZ2 3.75Å; I135-W148 HydrophobicContact CG1-CZ3 3.36Å |
| 149 | S | 67.4 | Low | 70.6 | Confident | 34 Ų | 34 | 107.1 Ų | 107.1 | 24% | 0.238 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 133.6 | 174.7 | 47.8 | 0 | 0 | 0 | 0 | 110.5 | R133 Q134 S136 V147 | R133-S149 WeakPolarHBondContact CA-O 3.48Å; Q134-S149 PolarHBondContact N-O 2.73Å; Q134-S149 PolarHBondContact O-N 3.09Å; Q134-S149 VanDerWaalsContact O-O 3.09Å; Q134-S149 PolarHBondContact O-OG 2.99Å; S136-S149 PolarHBondContact OG-OG 2.82Å; S136-S149 VanDerWaalsContact OG-OG 3.06Å; V147-S149 PolarHBondContact O-N 2.98Å |
| 150 | L | 66.6 | Low | 70 | Confident | 94 Ų | 94 | 102.4 Ų | 102.4 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 141.9 | 167.6 | -74.4 | 134.8 | 0 | 0 | 0 | 109.3 | E132 R133 N152 | E132-L150 HydrophobicContact CG-CD2 4.08Å; E132-L150 CarbonylContact O-C 3.51Å; E132-L150 VanDerWaalsContact O-CA 3.3Å; E132-L150 WeakPolarHBondContact O-CA 3.42Å; R133-L150 HydrophobicContact CG-CD2 4.03Å; R133-L150 HydrophobicContact CG-CG 4.28Å; L150-N152 PolarHBondContact O-N 3.33Å; L150-N152 PolarHBondContact O-OD1 3.41Å |
| 151 | N | 61.4 | Low | 69.5 | Low | 57 Ų | 57 | 102.9 Ų | 102.9 | 31% | 0.305 | 53% | 0.529 | S | S | . | . | trans | -68.6 | 94.9 | 174.5 | -109.7 | -22.4 | 0 | 0 | 0 | 108.8 | V130 P131 E132 Q134 S153 | V130-N151 WeakPolarHBondContact CG1-ND2 3.43Å; P131-N151 PolarHBondContact O-ND2 2.91Å; E132-N151 PolarHBondContact O-N 3.44Å; Q134-N151 PolarHBondContact NE2-ND2 2.73Å; N151-S153 PolarHBondContact O-N 3.38Å; N151-S153 PolarHBondContact O-OG 3.42Å | ||
| 152 | N | 58.4 | Low | 69.4 | Low | 95 Ų | 95 | 100.3 Ų | 100.3 | 51% | 0.508 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 22.3 | -176.2 | -80.5 | -8 | 0 | 0 | 0 | 115.4 | L150 Q154 V155 H156 | L150-N152 PolarHBondContact O-N 3.33Å; L150-N152 PolarHBondContact O-OD1 3.41Å; N152-Q154 PolarHBondContact O-N 3.23Å; N152-Q154 VanDerWaalsContact O-N 3.12Å; N152-V155 HydrophobicContact CB-CB 3.98Å; N152-V155 HydrophobicContact CB-CG2 3.87Å; N152-V155 PolarHBondContact O-N 3.17Å; N152-V155 WeakPolarHBondContact OD1-CG2 3.4Å; N152-H156 PolarHBondContact O-N 2.81Å |
| 153 | S | 59.5 | Low | 68.8 | Low | 77 Ų | 77 | 106.9 Ų | 106.9 | 54% | 0.538 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -56.1 | -23.6 | 168.4 | 67.9 | 0 | 0 | 0 | 0 | 113 | N151 K157 | N151-S153 PolarHBondContact O-N 3.38Å; N151-S153 PolarHBondContact O-OG 3.42Å; S153-K157 WeakPolarHBondContact O-CG 3.48Å |
| 154 | Q | 56.1 | Low | 68.3 | Low | 121 Ų | 121 | 108.1 Ų | 108.1 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -82.3 | -32.9 | 172.4 | -64.7 | -175.7 | -7.7 | 0 | 0 | 112.8 | N152 K157 L158 | N152-Q154 PolarHBondContact O-N 3.23Å; N152-Q154 VanDerWaalsContact O-N 3.12Å; Q154-K157 WeakPolarHBondContact O-CB 3.47Å; Q154-K157 PolarHBondContact O-N 2.97Å; Q154-L158 VanDerWaalsContact O-CG 3.31Å; Q154-L158 WeakPolarHBondContact O-CG 3.31Å; Q154-L158 PolarHBondContact O-N 2.86Å |
| 155 | V | 59.1 | Low | 66.9 | Low | 60 Ų | 60 | 110.3 Ų | 110.3 | 36% | 0.364 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 178.8 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | N152 K157 L158 E159 | N152-V155 HydrophobicContact CB-CB 3.98Å; N152-V155 HydrophobicContact CB-CG2 3.87Å; N152-V155 PolarHBondContact O-N 3.17Å; N152-V155 WeakPolarHBondContact OD1-CG2 3.4Å; V155-K157 VanDerWaalsContact C-N 3.28Å; V155-K157 PolarHBondContact O-N 3.12Å; V155-L158 PolarHBondContact O-N 3.36Å; V155-E159 WeakPolarHBondContact O-CB 3.46Å; V155-E159 WeakPolarHBondContact O-CG 3.31Å; V155-E159 PolarHBondContact O-N 3.05Å |
| 156 | H | 57.2 | Low | 66.2 | Low | 132 Ų | 132 | 109.6 Ų | 109.6 | 61% | 0.611 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.6 | -31.3 | 173.9 | -70.5 | -50.2 | 0 | 0 | 0 | 113.2 | N152 E159 A160 | N152-H156 PolarHBondContact O-N 2.81Å; H156-E159 IonicContact ND1-OE2 3.17Å; H156-E159 PolarHBondContact ND1-OE2 3.19Å; H156-A160 VanDerWaalsContact O-CB 3.27Å; H156-A160 WeakPolarHBondContact O-CB 3.4Å; H156-A160 PolarHBondContact O-N 3.03Å |
| 157 | K | 59.8 | Low | 65.5 | Low | 148 Ų | 148 | 110.8 Ų | 110.8 | 64% | 0.643 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70 | -40.5 | 173.1 | -76.1 | 178.7 | 179.9 | -177.3 | 0 | 111.7 | S153 Q154 V155 A160 L161 | S153-K157 WeakPolarHBondContact O-CG 3.48Å; Q154-K157 WeakPolarHBondContact O-CB 3.47Å; Q154-K157 PolarHBondContact O-N 2.97Å; V155-K157 VanDerWaalsContact C-N 3.28Å; V155-K157 PolarHBondContact O-N 3.12Å; K157-A160 PolarHBondContact O-N 3.43Å; K157-L161 VanDerWaalsContact O-CG 3.31Å; K157-L161 WeakPolarHBondContact O-CG 3.47Å; K157-L161 PolarHBondContact O-N 3.35Å |
| 158 | L | 65.3 | Low | 64.7 | Low | 100 Ų | 100 | 114.2 Ų | 114.2 | 52% | 0.524 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69 | -42.5 | 177.3 | -70.6 | 170.5 | 0 | 0 | 0 | 111.4 | Q154 V155 A160 L161 L162 | Q154-L158 VanDerWaalsContact O-CG 3.31Å; Q154-L158 WeakPolarHBondContact O-CG 3.31Å; Q154-L158 PolarHBondContact O-N 2.86Å; V155-L158 PolarHBondContact O-N 3.36Å; L158-A160 VanDerWaalsContact C-N 3.32Å; L158-A160 PolarHBondContact O-N 2.87Å; L158-L161 PolarHBondContact O-N 3.44Å; L158-L162 WeakPolarHBondContact O-CB 3.27Å; L158-L162 WeakPolarHBondContact O-CG 3.33Å; L158-L162 PolarHBondContact O-N 3.19Å |
| 159 | E | 69.8 | Low | 64.2 | Low | 87 Ų | 87 | 110.8 Ų | 110.8 | 41% | 0.407 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.9 | -41.7 | 171.9 | -78 | -178.2 | 149 | 0 | 0 | 111.9 | V155 H156 L161 L162 R163 | V155-E159 WeakPolarHBondContact O-CB 3.46Å; V155-E159 WeakPolarHBondContact O-CG 3.31Å; V155-E159 PolarHBondContact O-N 3.05Å; H156-E159 IonicContact ND1-OE2 3.17Å; H156-E159 PolarHBondContact ND1-OE2 3.19Å; E159-L161 VanDerWaalsContact C-N 3.3Å; E159-L161 PolarHBondContact O-N 2.97Å; E159-L162 PolarHBondContact O-N 3.42Å; E159-R163 WeakPolarHBondContact O-CB 3.31Å; E159-R163 VanDerWaalsContact O-CG 3.31Å; E159-R163 WeakPolarHBondContact O-CG 3.46Å; E159-R163 PolarHBondContact O-N 3.1Å |
| 160 | A | 69.8 | Low | 64.1 | Low | 54 Ų | 54 | 115.6 Ų | 115.6 | 45% | 0.446 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.7 | -30.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | H156 K157 L158 | H156-A160 VanDerWaalsContact O-CB 3.27Å; H156-A160 WeakPolarHBondContact O-CB 3.4Å; H156-A160 PolarHBondContact O-N 3.03Å; K157-A160 PolarHBondContact O-N 3.43Å; L158-A160 VanDerWaalsContact C-N 3.32Å; L158-A160 PolarHBondContact O-N 2.87Å |
| 161 | L | 70.8 | Confident | 63.9 | Low | 105 Ų | 105 | 117 Ų | 117 | 55% | 0.55 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -75.5 | -42 | 174.2 | -72.5 | 172.1 | 0 | 0 | 0 | 111.8 | K157 L158 E159 R163 R164 | K157-L161 VanDerWaalsContact O-CG 3.31Å; K157-L161 WeakPolarHBondContact O-CG 3.47Å; K157-L161 PolarHBondContact O-N 3.35Å; L158-L161 PolarHBondContact O-N 3.44Å; E159-L161 VanDerWaalsContact C-N 3.3Å; E159-L161 PolarHBondContact O-N 2.97Å; L161-R163 VanDerWaalsContact C-N 3.29Å; L161-R163 PolarHBondContact O-N 2.97Å; L161-R164 PolarHBondContact O-N 3.44Å; L161-R164 VanDerWaalsContact O-N 3.1Å |
| 162 | L | 76.6 | Confident | 64.1 | Low | 124 Ų | 124 | 121.3 Ų | 121.3 | 65% | 0.649 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.7 | -26.8 | 177 | -71.8 | 170.7 | 0 | 0 | 0 | 113 | L158 E159 R164 T165 | L158-L162 WeakPolarHBondContact O-CB 3.27Å; L158-L162 WeakPolarHBondContact O-CG 3.33Å; L158-L162 PolarHBondContact O-N 3.19Å; E159-L162 PolarHBondContact O-N 3.42Å; L162-R164 VanDerWaalsContact C-N 3.27Å; L162-T165 PolarHBondContact O-OG1 3.41Å |
| 163 | R | 72.8 | Confident | 64.5 | Low | 210 Ų | 210 | 123.3 Ų | 123.3 | 79% | 0.792 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -10.4 | 172.1 | -74.1 | -178.8 | -175.6 | -166.8 | 3.2 | 114 | E159 L161 | E159-R163 WeakPolarHBondContact O-CB 3.31Å; E159-R163 VanDerWaalsContact O-CG 3.31Å; E159-R163 WeakPolarHBondContact O-CG 3.46Å; E159-R163 PolarHBondContact O-N 3.1Å; L161-R163 VanDerWaalsContact C-N 3.29Å; L161-R163 PolarHBondContact O-N 2.97Å |
| 164 | R | 66.6 | Low | 64.9 | Low | 219 Ų | 219 | 127.2 Ų | 127.2 | 83% | 0.826 | 62% | 0.616 | S | S | * | * | trans | -96.1 | -12.7 | 177.7 | -84.7 | -177.1 | 178.2 | 174.1 | -0.4 | 113.5 | L161 L162 | L161-R164 PolarHBondContact O-N 3.44Å; L161-R164 VanDerWaalsContact O-N 3.1Å; L162-R164 VanDerWaalsContact C-N 3.27Å | ||
| 165 | T | 55.2 | Low | 65.7 | Low | 166 Ų | 166 | 127.7 Ų | 127.7 | 100% | 1.018 | 62% | 0.621 | S | S | * | * | trans | -95.3 | 0 | 170.6 | 51.7 | 0 | 0 | 0 | 0 | 109.7 | L162 | L162-T165 PolarHBondContact O-OG1 3.41Š|
Retrieved 165 of 165 residues in 164.1 ms
(Link to these results)