| 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 | 49 | Very low | 74.5 | Confident | 243 Ų | 243 | 108.9 Ų | 108.9 | 100% | 1.197 | 58% | 0.584 | S | S | * | * | 0 | 133.1 | 0 | -71.1 | -177 | 152 | 0 | 0 | 107.1 | |||||
| 2 | S | 64.4 | Low | 74.1 | Confident | 70 Ų | 70 | 109.2 Ų | 109.2 | 49% | 0.49 | 58% | 0.584 | S | S | . | * | trans | -83 | 125.3 | -162.9 | -175.4 | 0 | 0 | 0 | 0 | 110.8 | K4 D5 | S2-K4 PolarHBondContact O-N 2.54Å; S2-D5 PolarHBondContact O-N 2.74Å | ||
| 3 | S | 78.1 | Confident | 74.1 | Confident | 84 Ų | 84 | 109.4 Ų | 109.4 | 59% | 0.587 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -51.5 | -17.4 | -179.6 | 164.5 | 0 | 0 | 0 | 0 | 115.2 | I7 | S3-I7 WeakPolarHBondContact O-CG1 2.96Å; S3-I7 PolarHBondContact O-N 3Å |
| 4 | K | 73.2 | Confident | 73.7 | Confident | 160 Ų | 160 | 106.1 Ų | 106.1 | 70% | 0.696 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.6 | -32.9 | 175.9 | -69.8 | -177.6 | 177.3 | 177.2 | 0 | 113.2 | S2 D6 I7 V8 | S2-K4 PolarHBondContact O-N 2.54Å; K4-D6 VanDerWaalsContact C-N 3.32Å; K4-I7 PolarHBondContact O-N 3.06Å; K4-V8 WeakPolarHBondContact O-CG2 3.25Å; K4-V8 PolarHBondContact O-N 3.25Å |
| 5 | D | 79.4 | Confident | 72.5 | Confident | 100 Ų | 100 | 107.3 Ų | 107.3 | 54% | 0.535 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70.3 | -33.2 | -178.6 | -61.9 | -39.6 | 0 | 0 | 0 | 111.3 | S2 R9 | S2-D5 PolarHBondContact O-N 2.74Å; D5-R9 WeakPolarHBondContact O-CB 3.4Å; D5-R9 PolarHBondContact O-N 3.32Å |
| 6 | D | 82.8 | Confident | 71.5 | Confident | 79 Ų | 79 | 106.4 Ų | 106.4 | 42% | 0.422 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -72 | -38.7 | 177.4 | -66 | -34.7 | 0 | 0 | 0 | 111.8 | K4 V8 R9 T10 | K4-D6 VanDerWaalsContact C-N 3.32Å; D6-V8 VanDerWaalsContact C-N 3.34Å; D6-V8 PolarHBondContact O-N 3.27Å; D6-R9 PolarHBondContact O-N 2.81Å; D6-R9 IonicContact OD1-CZ 3.27Å; D6-R9 IonicContact OD1-NH1 3.4Å; D6-R9 PolarHBondContact OD1-NH1 2.91Å; D6-T10 WeakPolarHBondContact O-CB 3.43Å; D6-T10 PolarHBondContact O-N 2.79Å; D6-T10 PolarHBondContact O-OG1 3.01Å |
| 7 | I | 79.1 | Confident | 70.7 | Confident | 112 Ų | 112 | 109.8 Ų | 109.8 | 57% | 0.574 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.9 | -43 | 176.4 | -64 | 168.1 | 0 | 0 | 0 | 111 | S3 K4 A11 | S3-I7 WeakPolarHBondContact O-CG1 2.96Å; S3-I7 PolarHBondContact O-N 3Å; K4-I7 PolarHBondContact O-N 3.06Å; I7-A11 WeakPolarHBondContact O-CB 3.41Å; I7-A11 PolarHBondContact O-N 2.73Å |
| 8 | V | 78.9 | Confident | 69.9 | Low | 88 Ų | 88 | 106.7 Ų | 106.7 | 53% | 0.533 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.6 | -41.7 | 177.9 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | K4 D6 A11 L12 | K4-V8 WeakPolarHBondContact O-CG2 3.25Å; K4-V8 PolarHBondContact O-N 3.25Å; D6-V8 VanDerWaalsContact C-N 3.34Å; D6-V8 PolarHBondContact O-N 3.27Å; V8-A11 PolarHBondContact O-N 3.47Å; V8-L12 HydrophobicContact CG1-CD1 4.01Å; V8-L12 WeakPolarHBondContact O-CG 3.37Å; V8-L12 PolarHBondContact O-N 3.07Å |
| 9 | R | 78.8 | Confident | 69.1 | Low | 131 Ų | 131 | 108.2 Ų | 108.2 | 49% | 0.494 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.6 | -48.4 | 177.1 | -167.9 | -174.6 | -60.3 | 124 | 7.4 | 111.5 | D5 D6 A11 L12 E13 | D5-R9 WeakPolarHBondContact O-CB 3.4Å; D5-R9 PolarHBondContact O-N 3.32Å; D6-R9 PolarHBondContact O-N 2.81Å; D6-R9 IonicContact OD1-CZ 3.27Å; D6-R9 IonicContact OD1-NH1 3.4Å; D6-R9 PolarHBondContact OD1-NH1 2.91Å; R9-A11 VanDerWaalsContact C-N 3.33Å; R9-A11 PolarHBondContact O-N 2.79Å; R9-L12 PolarHBondContact O-N 2.96Å; R9-E13 WeakPolarHBondContact CD-OE1 3.25Å; R9-E13 HydrophobicContact CG-CG 4.46Å; R9-E13 WeakPolarHBondContact CG-OE1 3.48Å; R9-E13 WeakPolarHBondContact O-CB 3.14Å; R9-E13 WeakPolarHBondContact O-CG 3.41Å; R9-E13 PolarHBondContact O-N 2.82Å |
| 10 | T | 78.7 | Confident | 68.5 | Low | 89 Ų | 89 | 107.3 Ų | 107.3 | 55% | 0.546 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.9 | -38.9 | 178.2 | -53.6 | 0 | 0 | 0 | 0 | 112.1 | D6 S14 | D6-T10 WeakPolarHBondContact O-CB 3.43Å; D6-T10 PolarHBondContact O-N 2.79Å; D6-T10 PolarHBondContact O-OG1 3.01Å; T10-S14 WeakPolarHBondContact O-CB 3.33Å; T10-S14 PolarHBondContact O-N 3.18Å; T10-S14 PolarHBondContact O-OG 3.27Å |
| 11 | A | 76.8 | Confident | 67.9 | Low | 42 Ų | 42 | 104.7 Ų | 104.7 | 35% | 0.347 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.2 | -44.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I7 V8 R9 S14 H15 | I7-A11 WeakPolarHBondContact O-CB 3.41Å; I7-A11 PolarHBondContact O-N 2.73Å; V8-A11 PolarHBondContact O-N 3.47Å; R9-A11 VanDerWaalsContact C-N 3.33Å; R9-A11 PolarHBondContact O-N 2.79Å; A11-S14 PolarHBondContact O-N 3.41Å; A11-S14 PolarHBondContact O-OG 3.1Å; A11-H15 PolarHBondContact O-CD2 3.12Å; A11-H15 PolarHBondContact O-N 3.17Å |
| 12 | L | 69.9 | Low | 68.1 | Low | 112 Ų | 112 | 99.2 Ų | 99.2 | 59% | 0.586 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.3 | -42.4 | 178.1 | -72.4 | 171.9 | 0 | 0 | 0 | 112.7 | V8 R9 S14 H15 T16 | V8-L12 HydrophobicContact CG1-CD1 4.01Å; V8-L12 WeakPolarHBondContact O-CG 3.37Å; V8-L12 PolarHBondContact O-N 3.07Å; R9-L12 PolarHBondContact O-N 2.96Å; L12-S14 VanDerWaalsContact C-N 3.29Å; L12-S14 PolarHBondContact O-N 2.92Å; L12-H15 PolarHBondContact O-N 2.88Å; L12-H15 VanDerWaalsContact O-N 3.13Å; L12-T16 PolarHBondContact O-N 2.95Å |
| 13 | E | 74.2 | Confident | 67.7 | Low | 112 Ų | 112 | 102.7 Ų | 102.7 | 52% | 0.523 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 175.7 | -74.9 | 170.3 | -178 | 0 | 0 | 110.7 | R9 H15 T16 | R9-E13 WeakPolarHBondContact CD-OE1 3.25Å; R9-E13 HydrophobicContact CG-CG 4.46Å; R9-E13 WeakPolarHBondContact CG-OE1 3.48Å; R9-E13 WeakPolarHBondContact O-CB 3.14Å; R9-E13 WeakPolarHBondContact O-CG 3.41Å; R9-E13 PolarHBondContact O-N 2.82Å; E13-H15 VanDerWaalsContact C-N 3.27Å; E13-H15 PolarHBondContact O-N 3.41Å; E13-T16 PolarHBondContact O-N 3.22Å; E13-T16 PolarHBondContact O-OG1 3.39Å |
| 14 | S | 69.1 | Low | 66.7 | Low | 63 Ų | 63 | 105.5 Ų | 105.5 | 44% | 0.441 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.7 | -25.3 | 176.4 | 73.7 | 0 | 0 | 0 | 0 | 114.5 | T10 A11 L12 | T10-S14 WeakPolarHBondContact O-CB 3.33Å; T10-S14 PolarHBondContact O-N 3.18Å; T10-S14 PolarHBondContact O-OG 3.27Å; A11-S14 PolarHBondContact O-N 3.41Å; A11-S14 PolarHBondContact O-OG 3.1Å; L12-S14 VanDerWaalsContact C-N 3.29Å; L12-S14 PolarHBondContact O-N 2.92Å |
| 15 | H | 55.8 | Low | 65.9 | Low | 125 Ų | 125 | 101.5 Ų | 101.5 | 58% | 0.579 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -79.9 | -25.9 | 176.8 | -78.7 | -61.9 | 0 | 0 | 0 | 113 | A11 L12 E13 E17 S18 | A11-H15 PolarHBondContact O-CD2 3.12Å; A11-H15 PolarHBondContact O-N 3.17Å; L12-H15 PolarHBondContact O-N 2.88Å; L12-H15 VanDerWaalsContact O-N 3.13Å; E13-H15 VanDerWaalsContact C-N 3.27Å; E13-H15 PolarHBondContact O-N 3.41Å; H15-E17 VanDerWaalsContact C-N 3.26Å; H15-E17 PolarHBondContact O-N 2.73Å; H15-S18 WeakPolarHBondContact O-CB 3.4Å; H15-S18 PolarHBondContact O-N 3.05Å |
| 16 | T | 56.4 | Low | 64.9 | Low | 93 Ų | 93 | 101.5 Ų | 101.5 | 57% | 0.571 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.7 | -26.4 | 176.5 | 58.9 | 0 | 0 | 0 | 0 | 113 | L12 E13 S18 | L12-T16 PolarHBondContact O-N 2.95Å; E13-T16 PolarHBondContact O-N 3.22Å; E13-T16 PolarHBondContact O-OG1 3.39Å; T16-S18 PolarHBondContact O-N 2.97Å |
| 17 | E | 57.3 | Low | 63.8 | Low | 163 Ų | 163 | 101 Ų | 101 | 76% | 0.762 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -15.7 | 172.7 | -63.6 | -174.8 | 171.6 | 0 | 0 | 112.8 | H15 | H15-E17 VanDerWaalsContact C-N 3.26Å; H15-E17 PolarHBondContact O-N 2.73Å |
| 18 | S | 57.1 | Low | 63.1 | Low | 55 Ų | 55 | 98.7 Ų | 98.7 | 39% | 0.385 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -10.9 | 178.6 | -68.3 | 0 | 0 | 0 | 0 | 114.4 | H15 T16 S20 A21 E22 | H15-S18 WeakPolarHBondContact O-CB 3.4Å; H15-S18 PolarHBondContact O-N 3.05Å; T16-S18 PolarHBondContact O-N 2.97Å; S18-S20 PolarHBondContact O-N 2.98Å; S18-A21 WeakPolarHBondContact O-CB 3.28Å; S18-A21 PolarHBondContact O-N 2.89Å; S18-E22 PolarHBondContact O-N 3.32Å; S18-E22 VanDerWaalsContact O-N 3.12Å |
| 19 | E | 54.3 | Low | 62 | Low | 135 Ų | 135 | 98.2 Ų | 98.2 | 63% | 0.631 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.3 | -29.4 | 174.3 | -81.9 | -173.5 | 157.8 | 0 | 0 | 112 | E22 Q23 | E19-E22 PolarHBondContact O-N 3.41Å; E19-Q23 PolarHBondContact O-N 3.49Å |
| 20 | S | 56.6 | Low | 61 | Low | 89 Ų | 89 | 97.9 Ų | 97.9 | 62% | 0.622 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.1 | -32 | 173.7 | -64.3 | 0 | 0 | 0 | 0 | 112.7 | S18 | S18-S20 PolarHBondContact O-N 2.98Å |
| 21 | A | 56.7 | Low | 60.4 | Low | 54 Ų | 54 | 98.5 Ų | 98.5 | 45% | 0.446 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -73.5 | -34.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S18 Q23 E24 T25 | S18-A21 WeakPolarHBondContact O-CB 3.28Å; S18-A21 PolarHBondContact O-N 2.89Å; A21-Q23 VanDerWaalsContact C-N 3.3Å; A21-Q23 PolarHBondContact O-N 3.01Å; A21-E24 PolarHBondContact O-N 3.34Å; A21-T25 PolarHBondContact O-N 3.4Å; A21-T25 PolarHBondContact O-OG1 2.83Å |
| 22 | E | 52.4 | Low | 59.6 | Low | 127 Ų | 127 | 103 Ų | 103 | 59% | 0.593 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.3 | -38 | 176.8 | -67.9 | -165.5 | 173.6 | 0 | 0 | 111.8 | S18 E19 T25 L26 | S18-E22 PolarHBondContact O-N 3.32Å; S18-E22 VanDerWaalsContact O-N 3.12Å; E19-E22 PolarHBondContact O-N 3.41Å; E22-T25 VanDerWaalsContact CA-OG1 3.25Å; E22-T25 WeakPolarHBondContact CA-OG1 3.44Å; E22-T25 PolarHBondContact O-N 3.32Å; E22-T25 PolarHBondContact O-OG1 3.26Å; E22-L26 WeakPolarHBondContact O-CG 3.4Å; E22-L26 PolarHBondContact O-N 2.95Å |
| 23 | Q | 56.7 | Low | 59.1 | Low | 143 Ų | 143 | 102.5 Ų | 102.5 | 67% | 0.668 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.5 | -38.8 | 177.2 | -122 | 115.5 | 63.1 | 0 | 0 | 113.4 | E19 A21 S27 | E19-Q23 PolarHBondContact O-N 3.49Å; A21-Q23 VanDerWaalsContact C-N 3.3Å; A21-Q23 PolarHBondContact O-N 3.01Å; Q23-S27 PolarHBondContact O-N 2.99Å; Q23-S27 PolarHBondContact O-OG 3.12Å |
| 24 | E | 56.2 | Low | 58.2 | Low | 144 Ų | 144 | 102 Ų | 102 | 67% | 0.673 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -70.6 | -36.8 | 174.4 | -75.9 | -170.6 | 167.5 | 0 | 0 | 112.2 | A21 S27 S28 | A21-E24 PolarHBondContact O-N 3.34Å; E24-S27 PolarHBondContact O-OG 2.92Å; E24-S28 WeakPolarHBondContact O-CB 3.33Å; E24-S28 PolarHBondContact O-N 3.49Å; E24-S28 VanDerWaalsContact O-N 3.1Å; E24-S28 PolarHBondContact O-OG 3.22Å |
| 25 | T | 57.2 | Low | 57.6 | Low | 75 Ų | 75 | 102.8 Ų | 102.8 | 46% | 0.46 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.7 | -39.4 | 175.4 | 37.4 | 0 | 0 | 0 | 0 | 112.8 | A21 E22 S28 I29 | A21-T25 PolarHBondContact O-N 3.4Å; A21-T25 PolarHBondContact O-OG1 2.83Å; E22-T25 VanDerWaalsContact CA-OG1 3.25Å; E22-T25 WeakPolarHBondContact CA-OG1 3.44Å; E22-T25 PolarHBondContact O-N 3.32Å; E22-T25 PolarHBondContact O-OG1 3.26Å; T25-S28 PolarHBondContact O-N 2.97Å; T25-I29 WeakPolarHBondContact O-CB 3.43Å; T25-I29 WeakPolarHBondContact O-CD1 3.49Å; T25-I29 WeakPolarHBondContact O-CG1 3.42Å; T25-I29 PolarHBondContact O-N 2.85Å |
| 26 | L | 57.4 | Low | 57.4 | Low | 101 Ų | 101 | 103 Ų | 103 | 53% | 0.529 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.1 | -45.7 | 179.6 | -72.6 | 172.7 | 0 | 0 | 0 | 111.8 | E22 S28 I29 D30 | E22-L26 WeakPolarHBondContact O-CG 3.4Å; E22-L26 PolarHBondContact O-N 2.95Å; L26-S28 VanDerWaalsContact C-N 3.3Å; L26-S28 PolarHBondContact O-N 3.22Å; L26-I29 PolarHBondContact O-N 2.72Å; L26-D30 PolarHBondContact O-N 3.47Å |
| 27 | S | 61.1 | Low | 57.2 | Low | 68 Ų | 68 | 103.7 Ų | 103.7 | 48% | 0.476 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.7 | -32.9 | 176.8 | 40.5 | 0 | 0 | 0 | 0 | 112.7 | Q23 E24 S31 | Q23-S27 PolarHBondContact O-N 2.99Å; Q23-S27 PolarHBondContact O-OG 3.12Å; E24-S27 PolarHBondContact O-OG 2.92Å; S27-S31 PolarHBondContact O-N 3.25Å; S27-S31 PolarHBondContact O-OG 3.44Å |
| 28 | S | 64.5 | Low | 57.1 | Low | 64 Ų | 64 | 101.7 Ų | 101.7 | 45% | 0.448 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.8 | -38.8 | 171.5 | -63 | 0 | 0 | 0 | 0 | 112.7 | E24 T25 L26 S31 L32 | E24-S28 WeakPolarHBondContact O-CB 3.33Å; E24-S28 PolarHBondContact O-N 3.49Å; E24-S28 VanDerWaalsContact O-N 3.1Å; E24-S28 PolarHBondContact O-OG 3.22Å; T25-S28 PolarHBondContact O-N 2.97Å; L26-S28 VanDerWaalsContact C-N 3.3Å; L26-S28 PolarHBondContact O-N 3.22Å; S28-S31 WeakPolarHBondContact O-CB 3.18Å; S28-S31 PolarHBondContact O-N 2.99Å; S28-L32 VanDerWaalsContact O-CG 3.25Å; S28-L32 WeakPolarHBondContact O-CG 3.41Å; S28-L32 PolarHBondContact O-N 2.9Å |
| 29 | I | 56 | Low | 57.1 | Low | 78 Ų | 78 | 105 Ų | 105 | 40% | 0.4 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.1 | -43.8 | 178.1 | -70.4 | 160.7 | 0 | 0 | 0 | 110.5 | T25 L26 S31 L32 L33 | T25-I29 WeakPolarHBondContact O-CB 3.43Å; T25-I29 WeakPolarHBondContact O-CD1 3.49Å; T25-I29 WeakPolarHBondContact O-CG1 3.42Å; T25-I29 PolarHBondContact O-N 2.85Å; L26-I29 PolarHBondContact O-N 2.72Å; I29-S31 PolarHBondContact O-N 3.21Å; I29-L32 CarbonylContact O-C 3.6Å; I29-L32 PolarHBondContact O-N 3.48Å; I29-L33 HydrophobicContact CG2-CD1 3.71Å; I29-L33 HydrophobicContact CG2-CG 4.22Å; I29-L33 WeakPolarHBondContact O-CG 3.3Å; I29-L33 PolarHBondContact O-N 2.88Å |
| 30 | D | 56.4 | Low | 57.4 | Low | 124 Ų | 124 | 106 Ų | 106 | 66% | 0.663 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -60.9 | -30.3 | 175.9 | -75.2 | -19.8 | 0 | 0 | 0 | 112.2 | L26 | L26-D30 PolarHBondContact O-N 3.47Å |
| 31 | S | 66.6 | Low | 58 | Low | 102 Ų | 102 | 107.9 Ų | 107.9 | 71% | 0.713 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -75.2 | -31.2 | 174.3 | -52.6 | 0 | 0 | 0 | 0 | 112.9 | S27 S28 I29 | S27-S31 PolarHBondContact O-N 3.25Å; S27-S31 PolarHBondContact O-OG 3.44Å; S28-S31 WeakPolarHBondContact O-CB 3.18Å; S28-S31 PolarHBondContact O-N 2.99Å; I29-S31 PolarHBondContact O-N 3.21Å |
| 32 | L | 60.6 | Low | 58.4 | Low | 136 Ų | 136 | 110.6 Ų | 110.6 | 71% | 0.712 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -87.8 | -19.1 | -176.7 | -73.4 | 168.3 | 0 | 0 | 0 | 113.4 | S28 I29 P34 | S28-L32 VanDerWaalsContact O-CG 3.25Å; S28-L32 WeakPolarHBondContact O-CG 3.41Å; S28-L32 PolarHBondContact O-N 2.9Å; I29-L32 CarbonylContact O-C 3.6Å; I29-L32 PolarHBondContact O-N 3.48Å; L32-P34 VanDerWaalsContact C-CD 3.49Å; L32-P34 WeakPolarHBondContact O-CD 3.3Å |
| 33 | L | 59.2 | Low | 59.4 | Low | 102 Ų | 102 | 111.8 Ų | 111.8 | 53% | 0.534 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -92.6 | 88.1 | 170.3 | -65.7 | 174.2 | 0 | 0 | 0 | 107.5 | I29 G35 | I29-L33 HydrophobicContact CG2-CD1 3.71Å; I29-L33 HydrophobicContact CG2-CG 4.22Å; I29-L33 WeakPolarHBondContact O-CG 3.3Å; I29-L33 PolarHBondContact O-N 2.88Å; L33-G35 PolarHBondContact O-N 2.91Å |
| 34 | P | 55.6 | Low | 60.8 | Low | 102 Ų | 102 | 107.8 Ų | 107.8 | 66% | 0.662 | 60% | 0.599 | S | S | * | * | trans | -54.1 | 122.1 | 171.1 | 22.8 | -31.6 | 0 | 0 | 0 | 106.3 | L32 L36 | L32-P34 VanDerWaalsContact C-CD 3.49Å; L32-P34 WeakPolarHBondContact O-CD 3.3Å; P34-L36 PolarHBondContact O-N 3.36Å | ||
| 35 | G | 55 | Low | 62.1 | Low | 79 Ų | 79 | 107.2 Ų | 107.2 | 81% | 0.814 | 60% | 0.596 | S | S | * | * | trans | -42.6 | 71.3 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L33 | L33-G35 PolarHBondContact O-N 2.91Š| ||
| 36 | L | 51.5 | Low | 63.5 | Low | 129 Ų | 129 | 110.6 Ų | 110.6 | 68% | 0.675 | 61% | 0.607 | S | S | * | * | trans | -59.9 | 123.9 | 170.1 | -80.8 | 162.4 | 0 | 0 | 0 | 102.1 | P34 I38 | P34-L36 PolarHBondContact O-N 3.36Å; L36-I38 VanDerWaalsContact C-N 3.31Å; L36-I38 PolarHBondContact O-N 3.36Å | ||
| 37 | P | 53.1 | Low | 64.9 | Low | 107 Ų | 107 | 107.9 Ų | 107.9 | 70% | 0.695 | 60% | 0.596 | S | S | * | * | trans | -52.3 | 111.5 | 173.6 | 22.4 | -30.7 | 0 | 0 | 0 | 104.8 | Q39 | P37-Q39 PolarHBondContact O-N 2.85Š| ||
| 38 | I | 55.6 | Low | 66.2 | Low | 122 Ų | 122 | 107.3 Ų | 107.3 | 63% | 0.626 | 59% | 0.587 | S | S | * | * | trans | -56.6 | 106.9 | 167.1 | -62.7 | 173.1 | 0 | 0 | 0 | 100.8 | L36 E40 Y43 | L36-I38 VanDerWaalsContact C-N 3.31Å; L36-I38 PolarHBondContact O-N 3.36Å; I38-E40 PolarHBondContact O-N 3.06Å; I38-Y43 HydrophobicContact CG2-CD2 3.64Å; I38-Y43 HydrophobicContact CG2-CE2 4.06Å | ||
| 39 | Q | 56.1 | Low | 67.2 | Low | 125 Ų | 125 | 112 Ų | 112 | 58% | 0.584 | 60% | 0.595 | S | S | * | * | trans | -65.9 | 91.8 | 170.4 | -72.6 | -167.4 | -40.5 | 0 | 0 | 103.1 | P37 D41 L42 Y43 | P37-Q39 PolarHBondContact O-N 2.85Å; Q39-D41 PolarHBondContact O-N 2.9Å; Q39-D41 VanDerWaalsContact O-N 3.07Å; Q39-L42 HydrophobicContact CB-CB 4.19Å; Q39-L42 WeakPolarHBondContact O-CB 3.09Å; Q39-L42 PolarHBondContact O-N 2.93Å; Q39-Y43 PolarHBondContact O-N 2.65Å | ||
| 40 | E | 61.2 | Low | 68.8 | Low | 155 Ų | 155 | 112.2 Ų | 112.2 | 72% | 0.724 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -30.1 | -179.2 | -69.7 | -179.3 | 171 | 0 | 0 | 109.5 | I38 L42 Y43 N44 | I38-E40 PolarHBondContact O-N 3.06Å; E40-L42 VanDerWaalsContact C-N 3.33Å; E40-L42 PolarHBondContact O-N 3.39Å; E40-Y43 CarbonylContact O-C 3.42Å; E40-Y43 PolarHBondContact O-N 2.75Å; E40-N44 PolarHBondContact O-N 3.3Å |
| 41 | D | 68.1 | Low | 70.3 | Confident | 128 Ų | 128 | 111 Ų | 111 | 68% | 0.684 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -33.6 | 172.4 | -64.3 | -14.4 | 0 | 0 | 0 | 113.8 | Q39 N44 S47 | Q39-D41 PolarHBondContact O-N 2.9Å; Q39-D41 VanDerWaalsContact O-N 3.07Å; D41-N44 PolarHBondContact O-ND2 3.23Å; D41-S47 PolarHBondContact O-OG 3.38Å; D41-S47 VanDerWaalsContact O-OG 3.12Å |
| 42 | L | 65.5 | Low | 71.3 | Confident | 112 Ų | 112 | 113.3 Ų | 113.3 | 59% | 0.586 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -32 | 177.2 | -124 | 78.1 | 0 | 0 | 0 | 112 | Q39 E40 S47 | Q39-L42 HydrophobicContact CB-CB 4.19Å; Q39-L42 WeakPolarHBondContact O-CB 3.09Å; Q39-L42 PolarHBondContact O-N 2.93Å; E40-L42 VanDerWaalsContact C-N 3.33Å; E40-L42 PolarHBondContact O-N 3.39Å; L42-S47 VanDerWaalsContact O-CB 3.28Å; L42-S47 WeakPolarHBondContact O-CB 3.45Å |
| 43 | Y | 74.5 | Confident | 72.7 | Confident | 151 Ų | 151 | 109.9 Ų | 109.9 | 59% | 0.592 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -96.9 | 11 | 179 | -66.5 | -78.7 | 0 | 0 | 0 | 113.3 | I38 Q39 E40 L48 | I38-Y43 HydrophobicContact CG2-CD2 3.64Å; I38-Y43 HydrophobicContact CG2-CE2 4.06Å; Q39-Y43 PolarHBondContact O-N 2.65Å; E40-Y43 CarbonylContact O-C 3.42Å; E40-Y43 PolarHBondContact O-N 2.75Å; Y43-L48 HydrophobicContact CD1-CD2 4.26Å; Y43-L48 WeakPolarHBondContact O-CD1 3.36Å |
| 44 | N | 84.8 | Confident | 74.1 | Confident | 60 Ų | 60 | 108.8 Ų | 108.8 | 32% | 0.321 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -63.4 | 154.7 | 174.4 | 84.9 | 50.1 | 0 | 0 | 0 | 110.1 | E40 D41 E46 S47 L48 | E40-N44 PolarHBondContact O-N 3.3Å; D41-N44 PolarHBondContact O-ND2 3.23Å; N44-E46 VanDerWaalsContact C-N 3.26Å; N44-E46 PolarHBondContact O-N 3.1Å; N44-E46 WeakPolarHBondContact OD1-CA 3.49Å; N44-E46 WeakPolarHBondContact OD1-CB 3.47Å; N44-E46 PolarHBondContact OD1-N 3.43Å; N44-S47 PolarHBondContact ND2-OG 3.12Å; N44-S47 PolarHBondContact O-N 3.33Å; N44-S47 PolarHBondContact OD1-N 2.91Å; N44-S47 PolarHBondContact OD1-OG 3.29Å; N44-L48 PolarHBondContact O-N 3.25Å |
| 45 | E | 83.2 | Confident | 75.8 | Confident | 132 Ų | 132 | 106.3 Ų | 106.3 | 62% | 0.617 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59 | -35.9 | -173 | -166.4 | -174 | 159.5 | 0 | 0 | 112.9 | R49 | E45-R49 VanDerWaalsContact O-CB 3.3Å; E45-R49 WeakPolarHBondContact O-CB 3.23Å; E45-R49 WeakPolarHBondContact O-CD 3.15Å; E45-R49 WeakPolarHBondContact O-CG 3.21Å; E45-R49 PolarHBondContact O-N 3.13Å; E45-R49 IonicContact OE1-CZ 3.24Å; E45-R49 IonicContact OE1-NE 2.93Å; E45-R49 PolarHBondContact OE1-NE 3.41Å; E45-R49 IonicContact OE1-NH2 3.63Å; E45-R49 PolarHBondContact OE1-NH2 3.31Å |
| 46 | E | 87.6 | Confident | 77.6 | Confident | 146 Ų | 146 | 104.2 Ų | 104.2 | 68% | 0.682 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -71.7 | -43.7 | 179.5 | -176.1 | 174.6 | -169.4 | 0 | 0 | 112.3 | N44 L48 R49 T50 | N44-E46 VanDerWaalsContact C-N 3.26Å; N44-E46 PolarHBondContact O-N 3.1Å; N44-E46 WeakPolarHBondContact OD1-CA 3.49Å; N44-E46 WeakPolarHBondContact OD1-CB 3.47Å; N44-E46 PolarHBondContact OD1-N 3.43Å; E46-L48 VanDerWaalsContact C-N 3.35Å; E46-R49 PolarHBondContact O-N 3.26Å; E46-T50 WeakPolarHBondContact O-CB 3.46Å; E46-T50 PolarHBondContact O-N 3.03Å; E46-T50 PolarHBondContact O-OG1 2.9Å |
| 47 | S | 86.8 | Confident | 79.6 | Confident | 44 Ų | 44 | 107 Ų | 107 | 31% | 0.308 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.8 | -46.7 | 173.6 | -66 | 0 | 0 | 0 | 0 | 110.6 | D41 L42 N44 T50 L51 | D41-S47 PolarHBondContact O-OG 3.38Å; D41-S47 VanDerWaalsContact O-OG 3.12Å; L42-S47 VanDerWaalsContact O-CB 3.28Å; L42-S47 WeakPolarHBondContact O-CB 3.45Å; N44-S47 PolarHBondContact ND2-OG 3.12Å; N44-S47 PolarHBondContact O-N 3.33Å; N44-S47 PolarHBondContact OD1-N 2.91Å; N44-S47 PolarHBondContact OD1-OG 3.29Å; S47-T50 PolarHBondContact O-N 2.8Å; S47-L51 WeakPolarHBondContact O-CB 3.42Å; S47-L51 PolarHBondContact O-N 3.07Å |
| 48 | L | 87.8 | Confident | 81.6 | Confident | 55 Ų | 55 | 107.4 Ų | 107.4 | 29% | 0.288 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.9 | -45 | 177.2 | -70.5 | 176.8 | 0 | 0 | 0 | 112 | Y43 N44 E46 T50 L51 F52 | Y43-L48 HydrophobicContact CD1-CD2 4.26Å; Y43-L48 WeakPolarHBondContact O-CD1 3.36Å; N44-L48 PolarHBondContact O-N 3.25Å; E46-L48 VanDerWaalsContact C-N 3.35Å; L48-T50 VanDerWaalsContact C-N 3.28Å; L48-T50 PolarHBondContact O-N 3.41Å; L48-L51 PolarHBondContact O-N 3.36Å; L48-F52 HydrophobicContact CB-CD2 4.39Å; L48-F52 HydrophobicContact CB-CE2 4.39Å; L48-F52 WeakPolarHBondContact O-CB 3.5Å; L48-F52 WeakPolarHBondContact O-CD2 3.38Å; L48-F52 PolarHBondContact O-N 3.37Å |
| 49 | R | 86.8 | Confident | 83.4 | Confident | 163 Ų | 163 | 106.8 Ų | 106.8 | 62% | 0.615 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -57.2 | -43.2 | 175.8 | -79.3 | 170 | -179.1 | -94.3 | 3.7 | 111.5 | E45 E46 F52 A53 | E45-R49 VanDerWaalsContact O-CB 3.3Å; E45-R49 WeakPolarHBondContact O-CB 3.23Å; E45-R49 WeakPolarHBondContact O-CD 3.15Å; E45-R49 WeakPolarHBondContact O-CG 3.21Å; E45-R49 PolarHBondContact O-N 3.13Å; E45-R49 IonicContact OE1-CZ 3.24Å; E45-R49 IonicContact OE1-NE 2.93Å; E45-R49 PolarHBondContact OE1-NE 3.41Å; E45-R49 IonicContact OE1-NH2 3.63Å; E45-R49 PolarHBondContact OE1-NH2 3.31Å; E46-R49 PolarHBondContact O-N 3.26Å; R49-F52 PolarHBondContact O-N 2.74Å; R49-A53 VanDerWaalsContact O-CB 3.3Å; R49-A53 WeakPolarHBondContact O-CB 3.43Å; R49-A53 PolarHBondContact O-N 3.42Å |
| 50 | T | 89.2 | Confident | 85.3 | Confident | 82 Ų | 82 | 104.6 Ų | 104.6 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.1 | -46.9 | 177.5 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | E46 S47 L48 F52 A53 V54 | E46-T50 WeakPolarHBondContact O-CB 3.46Å; E46-T50 PolarHBondContact O-N 3.03Å; E46-T50 PolarHBondContact O-OG1 2.9Å; S47-T50 PolarHBondContact O-N 2.8Å; L48-T50 VanDerWaalsContact C-N 3.28Å; L48-T50 PolarHBondContact O-N 3.41Å; T50-F52 PolarHBondContact O-N 2.87Å; T50-A53 PolarHBondContact O-N 3.4Å; T50-V54 WeakPolarHBondContact O-CG2 3.27Å; T50-V54 PolarHBondContact O-N 2.88Å |
| 51 | L | 87.4 | Confident | 87 | Confident | 99 Ų | 99 | 102.9 Ų | 102.9 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58 | -46.8 | 175.9 | 178.9 | 64.1 | 0 | 0 | 0 | 111.5 | S47 L48 V54 T55 | S47-L51 WeakPolarHBondContact O-CB 3.42Å; S47-L51 PolarHBondContact O-N 3.07Å; L48-L51 PolarHBondContact O-N 3.36Å; L51-V54 PolarHBondContact O-N 3.13Å; L51-T55 WeakPolarHBondContact CD1-OG1 3.49Å; L51-T55 WeakPolarHBondContact O-CB 3.49Å; L51-T55 PolarHBondContact O-N 3.4Å; L51-T55 PolarHBondContact O-OG1 2.85Å |
| 52 | F | 88.3 | Confident | 88.4 | Confident | 150 Ų | 150 | 101.1 Ų | 101.1 | 66% | 0.658 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.9 | -34.7 | 177.5 | -78.8 | -63.4 | 0 | 0 | 0 | 112.8 | L48 R49 T50 G56 | L48-F52 HydrophobicContact CB-CD2 4.39Å; L48-F52 HydrophobicContact CB-CE2 4.39Å; L48-F52 WeakPolarHBondContact O-CB 3.5Å; L48-F52 WeakPolarHBondContact O-CD2 3.38Å; L48-F52 PolarHBondContact O-N 3.37Å; R49-F52 PolarHBondContact O-N 2.74Å; T50-F52 PolarHBondContact O-N 2.87Å; F52-G56 WeakPolarHBondContact O-CA 3.33Å; F52-G56 PolarHBondContact O-N 3.46Å |
| 53 | A | 89.5 | Confident | 89.9 | Confident | 65 Ų | 65 | 103 Ų | 103 | 54% | 0.537 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R49 T50 R57 | R49-A53 VanDerWaalsContact O-CB 3.3Å; R49-A53 WeakPolarHBondContact O-CB 3.43Å; R49-A53 PolarHBondContact O-N 3.42Å; T50-A53 PolarHBondContact O-N 3.4Å; A53-R57 WeakPolarHBondContact O-CB 3.45Å; A53-R57 PolarHBondContact O-N 3.26Å |
| 54 | V | 88.9 | Confident | 91 | Very high | 78 Ų | 78 | 102.8 Ų | 102.8 | 47% | 0.473 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71 | -57.9 | 177.2 | 176.1 | 0 | 0 | 0 | 0 | 110.2 | T50 L51 G56 R57 E58 | T50-V54 WeakPolarHBondContact O-CG2 3.27Å; T50-V54 PolarHBondContact O-N 2.88Å; L51-V54 PolarHBondContact O-N 3.13Å; V54-G56 VanDerWaalsContact C-N 3.31Å; V54-G56 PolarHBondContact O-N 2.92Å; V54-R57 WeakPolarHBondContact O-CB 3.37Å; V54-R57 PolarHBondContact O-N 2.87Å; V54-R57 VanDerWaalsContact O-N 3.1Å; V54-E58 PolarHBondContact O-N 3.44Å; V54-E58 VanDerWaalsContact O-N 3.12Å |
| 55 | T | 92.1 | Very high | 91.7 | Very high | 51 Ų | 51 | 107.8 Ų | 107.8 | 31% | 0.313 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | -177.5 | -46.7 | 0 | 0 | 0 | 0 | 111.2 | L51 R57 E58 I59 | L51-T55 WeakPolarHBondContact CD1-OG1 3.49Å; L51-T55 WeakPolarHBondContact O-CB 3.49Å; L51-T55 PolarHBondContact O-N 3.4Å; L51-T55 PolarHBondContact O-OG1 2.85Å; T55-R57 VanDerWaalsContact C-N 3.33Å; T55-R57 PolarHBondContact O-N 3.46Å; T55-E58 PolarHBondContact O-N 2.99Å; T55-I59 HydrophobicContact CG2-CD1 3.86Å; T55-I59 HydrophobicContact CG2-CG1 4.38Å; T55-I59 WeakPolarHBondContact O-CB 3.47Å; T55-I59 VanDerWaalsContact O-CG1 3.23Å; T55-I59 WeakPolarHBondContact O-CG1 3.41Å; T55-I59 PolarHBondContact O-N 2.99Å |
| 56 | G | 92.2 | Very high | 92.4 | Very high | 34 Ų | 34 | 106.6 Ų | 106.6 | 35% | 0.351 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.7 | -36.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F52 V54 L60 | F52-G56 WeakPolarHBondContact O-CA 3.33Å; F52-G56 PolarHBondContact O-N 3.46Å; V54-G56 VanDerWaalsContact C-N 3.31Å; V54-G56 PolarHBondContact O-N 2.92Å; G56-L60 VanDerWaalsContact O-CB 3.27Å; G56-L60 WeakPolarHBondContact O-CB 3.44Å; G56-L60 PolarHBondContact O-N 3.43Å |
| 57 | R | 92.6 | Very high | 92.9 | Very high | 188 Ų | 188 | 106.6 Ų | 106.6 | 71% | 0.709 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65 | -46.5 | 174.4 | -175.7 | -176.3 | -64.9 | -154 | 0.7 | 111.2 | A53 V54 T55 L60 E61 | A53-R57 WeakPolarHBondContact O-CB 3.45Å; A53-R57 PolarHBondContact O-N 3.26Å; V54-R57 WeakPolarHBondContact O-CB 3.37Å; V54-R57 PolarHBondContact O-N 2.87Å; V54-R57 VanDerWaalsContact O-N 3.1Å; T55-R57 VanDerWaalsContact C-N 3.33Å; T55-R57 PolarHBondContact O-N 3.46Å; R57-L60 PolarHBondContact O-N 2.87Å; R57-E61 PolarHBondContact O-N 3.42Å |
| 58 | E | 94.6 | Very high | 93.5 | Very high | 116 Ų | 116 | 111.8 Ų | 111.8 | 54% | 0.542 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 178.7 | -68.3 | 178.1 | 174.1 | 0 | 0 | 112.3 | V54 T55 L60 E61 T62 | V54-E58 PolarHBondContact O-N 3.44Å; V54-E58 VanDerWaalsContact O-N 3.12Å; T55-E58 PolarHBondContact O-N 2.99Å; E58-L60 VanDerWaalsContact C-N 3.33Å; E58-L60 PolarHBondContact O-N 3.22Å; E58-E61 PolarHBondContact O-N 2.96Å; E58-T62 WeakPolarHBondContact O-CB 3.36Å; E58-T62 PolarHBondContact O-N 3.27Å; E58-T62 PolarHBondContact O-OG1 3.37Å |
| 59 | I | 94.9 | Very high | 94 | Very high | 109 Ų | 109 | 112.6 Ų | 112.6 | 56% | 0.559 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.2 | -45.2 | 174.4 | -70.9 | 168.1 | 0 | 0 | 0 | 110.1 | T55 T62 K63 | T55-I59 HydrophobicContact CG2-CD1 3.86Å; T55-I59 HydrophobicContact CG2-CG1 4.38Å; T55-I59 WeakPolarHBondContact O-CB 3.47Å; T55-I59 VanDerWaalsContact O-CG1 3.23Å; T55-I59 WeakPolarHBondContact O-CG1 3.41Å; T55-I59 PolarHBondContact O-N 2.99Å; I59-T62 PolarHBondContact O-N 3.26Å; I59-K63 WeakPolarHBondContact O-CB 3.49Å; I59-K63 PolarHBondContact O-N 3.41Å |
| 60 | L | 95.2 | Very high | 94.5 | Very high | 79 Ų | 79 | 108.1 Ų | 108.1 | 41% | 0.414 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.7 | -40.2 | -179.5 | -177 | 59.4 | 0 | 0 | 0 | 112 | G56 R57 E58 K63 R64 | G56-L60 VanDerWaalsContact O-CB 3.27Å; G56-L60 WeakPolarHBondContact O-CB 3.44Å; G56-L60 PolarHBondContact O-N 3.43Å; R57-L60 PolarHBondContact O-N 2.87Å; E58-L60 VanDerWaalsContact C-N 3.33Å; E58-L60 PolarHBondContact O-N 3.22Å; L60-K63 PolarHBondContact O-N 3.42Å; L60-R64 VanDerWaalsContact CD2-NH2 3.29Å; L60-R64 WeakPolarHBondContact O-CG 3.49Å; L60-R64 PolarHBondContact O-N 2.99Å |
| 61 | E | 97.6 | Very high | 94.9 | Very high | 118 Ų | 118 | 108.6 Ų | 108.6 | 55% | 0.551 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.4 | -46.1 | 174.1 | -177.9 | 169.5 | -174.7 | 0 | 0 | 111.7 | R57 E58 K63 R64 R65 | R57-E61 PolarHBondContact O-N 3.42Å; E58-E61 PolarHBondContact O-N 2.96Å; E61-K63 VanDerWaalsContact C-N 3.31Å; E61-K63 PolarHBondContact O-N 2.86Å; E61-R64 WeakPolarHBondContact O-CB 3.39Å; E61-R64 PolarHBondContact O-N 3.26Å; E61-R64 VanDerWaalsContact O-N 3.13Å; E61-R65 WeakPolarHBondContact O-CB 3.49Å; E61-R65 PolarHBondContact O-N 3.05Å |
| 62 | T | 97.2 | Very high | 95.4 | Very high | 92 Ų | 92 | 109 Ų | 109 | 56% | 0.564 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.1 | -43.9 | 176.1 | -60.2 | 0 | 0 | 0 | 0 | 111 | E58 I59 R64 R65 L66 | E58-T62 WeakPolarHBondContact O-CB 3.36Å; E58-T62 PolarHBondContact O-N 3.27Å; E58-T62 PolarHBondContact O-OG1 3.37Å; I59-T62 PolarHBondContact O-N 3.26Å; T62-R64 PolarHBondContact O-N 3.13Å; T62-R65 PolarHBondContact O-N 3.16Å; T62-L66 WeakPolarHBondContact O-CB 3.34Å; T62-L66 PolarHBondContact O-N 2.96Å |
| 63 | K | 97.3 | Very high | 95.9 | Very high | 151 Ų | 151 | 107.1 Ų | 107.1 | 66% | 0.657 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.5 | -43.1 | 174.7 | -176.2 | 178.2 | 179.6 | 176.5 | 0 | 112.2 | I59 L60 E61 L66 K67 | I59-K63 WeakPolarHBondContact O-CB 3.49Å; I59-K63 PolarHBondContact O-N 3.41Å; L60-K63 PolarHBondContact O-N 3.42Å; E61-K63 VanDerWaalsContact C-N 3.31Å; E61-K63 PolarHBondContact O-N 2.86Å; K63-L66 PolarHBondContact O-N 2.99Å; K63-K67 WeakPolarHBondContact O-CB 3.36Å; K63-K67 PolarHBondContact O-N 3.43Å |
| 64 | R | 98.2 | Very high | 96.3 | Very high | 147 Ų | 147 | 107 Ų | 107 | 56% | 0.555 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.3 | -40.9 | 176.1 | -72.2 | 174.3 | -171.9 | 143.7 | -3.3 | 111.9 | L60 E61 T62 K67 R68 | L60-R64 VanDerWaalsContact CD2-NH2 3.29Å; L60-R64 WeakPolarHBondContact O-CG 3.49Å; L60-R64 PolarHBondContact O-N 2.99Å; E61-R64 WeakPolarHBondContact O-CB 3.39Å; E61-R64 PolarHBondContact O-N 3.26Å; E61-R64 VanDerWaalsContact O-N 3.13Å; T62-R64 PolarHBondContact O-N 3.13Å; R64-K67 PolarHBondContact O-N 3.29Å; R64-R68 PolarHBondContact O-N 3.48Å; R64-R68 VanDerWaalsContact O-N 3.17Å |
| 65 | R | 98.4 | Very high | 96.7 | Very high | 165 Ų | 165 | 109.3 Ų | 109.3 | 62% | 0.623 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.6 | -48.2 | 175.4 | -176.6 | 178.6 | 178.5 | -179.1 | -0.5 | 111 | E61 T62 K67 R68 I69 | E61-R65 WeakPolarHBondContact O-CB 3.49Å; E61-R65 PolarHBondContact O-N 3.05Å; T62-R65 PolarHBondContact O-N 3.16Å; R65-K67 VanDerWaalsContact C-N 3.32Å; R65-K67 PolarHBondContact O-N 2.96Å; R65-R68 WeakPolarHBondContact O-CB 3.46Å; R65-R68 PolarHBondContact O-N 3.17Å; R65-R68 VanDerWaalsContact O-N 3.16Å; R65-I69 HydrophobicContact CG-CD1 4.2Å; R65-I69 WeakPolarHBondContact O-CG1 3.5Å; R65-I69 PolarHBondContact O-N 2.96Å; R65-I69 VanDerWaalsContact O-N 3.13Å |
| 66 | L | 98.5 | Very high | 97 | Very high | 106 Ų | 106 | 114.1 Ų | 114.1 | 56% | 0.555 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.3 | -42.3 | 177.7 | -175.1 | 62.1 | 0 | 0 | 0 | 111.7 | T62 K63 R68 I69 V70 | T62-L66 WeakPolarHBondContact O-CB 3.34Å; T62-L66 PolarHBondContact O-N 2.96Å; K63-L66 PolarHBondContact O-N 2.99Å; L66-R68 VanDerWaalsContact C-N 3.31Å; L66-R68 PolarHBondContact O-N 3.48Å; L66-I69 PolarHBondContact O-N 3.41Å; L66-V70 HydrophobicContact CD1-CG2 4.49Å; L66-V70 WeakPolarHBondContact O-CG2 3.47Å; L66-V70 PolarHBondContact O-N 3.47Å |
| 67 | K | 98 | Very high | 97.2 | Very high | 147 Ų | 147 | 117.3 Ų | 117.3 | 64% | 0.639 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -57.3 | -42.5 | 175.4 | -175.2 | 179.8 | 178.1 | -177.7 | 0 | 112.4 | K63 R64 R65 V70 L71 | K63-K67 WeakPolarHBondContact O-CB 3.36Å; K63-K67 PolarHBondContact O-N 3.43Å; R64-K67 PolarHBondContact O-N 3.29Å; R65-K67 VanDerWaalsContact C-N 3.32Å; R65-K67 PolarHBondContact O-N 2.96Å; K67-V70 PolarHBondContact O-N 3.39Å; K67-L71 HydrophobicContact CG-CD1 4.44Å; K67-L71 WeakPolarHBondContact O-CG 3.4Å; K67-L71 PolarHBondContact O-N 2.88Å; K67-L71 VanDerWaalsContact O-N 3.14Å |
| 68 | R | 98.4 | Very high | 97.5 | Very high | 152 Ų | 152 | 116 Ų | 116 | 57% | 0.574 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.3 | -48.5 | 176.7 | -73.9 | -174.6 | -75.5 | 175.1 | -2.9 | 111.6 | R64 R65 L66 V70 L71 E72 | R64-R68 PolarHBondContact O-N 3.48Å; R64-R68 VanDerWaalsContact O-N 3.17Å; R65-R68 WeakPolarHBondContact O-CB 3.46Å; R65-R68 PolarHBondContact O-N 3.17Å; R65-R68 VanDerWaalsContact O-N 3.16Å; L66-R68 VanDerWaalsContact C-N 3.31Å; L66-R68 PolarHBondContact O-N 3.48Å; R68-V70 VanDerWaalsContact C-N 3.32Å; R68-V70 PolarHBondContact O-N 2.94Å; R68-L71 PolarHBondContact O-N 3.24Å; R68-L71 VanDerWaalsContact O-N 3.13Å; R68-E72 WeakPolarHBondContact O-CG 3.49Å; R68-E72 PolarHBondContact O-N 2.99Å |
| 69 | I | 98.1 | Very high | 97.6 | Very high | 72 Ų | 72 | 115.7 Ų | 115.7 | 37% | 0.369 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 178.3 | -65.5 | 167.6 | 0 | 0 | 0 | 111 | R65 L66 L71 E72 L73 | R65-I69 HydrophobicContact CG-CD1 4.2Å; R65-I69 WeakPolarHBondContact O-CG1 3.5Å; R65-I69 PolarHBondContact O-N 2.96Å; R65-I69 VanDerWaalsContact O-N 3.13Å; L66-I69 PolarHBondContact O-N 3.41Å; I69-L71 VanDerWaalsContact C-N 3.33Å; I69-L71 PolarHBondContact O-N 3.47Å; I69-E72 PolarHBondContact O-N 3.42Å; I69-L73 HydrophobicContact CG2-CD1 4.05Å; I69-L73 HydrophobicContact CG2-CG 4.42Å; I69-L73 VanDerWaalsContact O-CG 3.31Å; I69-L73 WeakPolarHBondContact O-CG 3.44Å; I69-L73 PolarHBondContact O-N 3.48Å |
| 70 | V | 98.2 | Very high | 97.7 | Very high | 70 Ų | 70 | 114.1 Ų | 114.1 | 42% | 0.424 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 178.7 | 171.2 | 0 | 0 | 0 | 0 | 111.7 | L66 K67 R68 L73 I74 | L66-V70 HydrophobicContact CD1-CG2 4.49Å; L66-V70 WeakPolarHBondContact O-CG2 3.47Å; L66-V70 PolarHBondContact O-N 3.47Å; K67-V70 PolarHBondContact O-N 3.39Å; R68-V70 VanDerWaalsContact C-N 3.32Å; R68-V70 PolarHBondContact O-N 2.94Å; V70-L73 PolarHBondContact O-N 3.07Å; V70-I74 HydrophobicContact CG1-CD1 4.07Å; V70-I74 VanDerWaalsContact O-CG1 3.32Å; V70-I74 WeakPolarHBondContact O-CG1 3.5Å; V70-I74 PolarHBondContact O-N 3Å; V70-I74 VanDerWaalsContact O-N 3.07Å |
| 71 | L | 98 | Very high | 97.7 | Very high | 91 Ų | 91 | 116.4 Ų | 116.4 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 177 | -70.2 | 172.7 | 0 | 0 | 0 | 112 | K67 R68 I69 L73 I74 E75 | K67-L71 HydrophobicContact CG-CD1 4.44Å; K67-L71 WeakPolarHBondContact O-CG 3.4Å; K67-L71 PolarHBondContact O-N 2.88Å; K67-L71 VanDerWaalsContact O-N 3.14Å; R68-L71 PolarHBondContact O-N 3.24Å; R68-L71 VanDerWaalsContact O-N 3.13Å; I69-L71 VanDerWaalsContact C-N 3.33Å; I69-L71 PolarHBondContact O-N 3.47Å; L71-L73 VanDerWaalsContact C-N 3.3Å; L71-L73 PolarHBondContact O-N 2.87Å; L71-I74 PolarHBondContact O-N 3.32Å; L71-E75 PolarHBondContact O-N 3.1Å |
| 72 | E | 98.2 | Very high | 97.6 | Very high | 109 Ų | 109 | 119.3 Ų | 119.3 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 175 | -71.8 | 171.9 | -160.7 | 0 | 0 | 111.3 | R68 I69 I74 E75 Y76 | R68-E72 WeakPolarHBondContact O-CG 3.49Å; R68-E72 PolarHBondContact O-N 2.99Å; I69-E72 PolarHBondContact O-N 3.42Å; E72-I74 PolarHBondContact O-N 3.13Å; E72-E75 PolarHBondContact O-N 3.14Å; E72-Y76 WeakPolarHBondContact O-CB 3.31Å; E72-Y76 WeakPolarHBondContact O-CD2 3.47Å; E72-Y76 PolarHBondContact O-N 3.36Å |
| 73 | L | 98.5 | Very high | 97.5 | Very high | 109 Ų | 109 | 120.1 Ų | 120.1 | 57% | 0.571 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.5 | -41 | 176.7 | -72.3 | 173 | 0 | 0 | 0 | 112.4 | I69 V70 L71 E75 Y76 E77 | I69-L73 HydrophobicContact CG2-CD1 4.05Å; I69-L73 HydrophobicContact CG2-CG 4.42Å; I69-L73 VanDerWaalsContact O-CG 3.31Å; I69-L73 WeakPolarHBondContact O-CG 3.44Å; I69-L73 PolarHBondContact O-N 3.48Å; V70-L73 PolarHBondContact O-N 3.07Å; L71-L73 VanDerWaalsContact C-N 3.3Å; L71-L73 PolarHBondContact O-N 2.87Å; L73-E75 VanDerWaalsContact C-N 3.34Å; L73-E75 PolarHBondContact O-N 3.04Å; L73-Y76 PolarHBondContact O-N 2.88Å; L73-E77 WeakPolarHBondContact O-CB 3.37Å; L73-E77 PolarHBondContact O-N 2.88Å |
| 74 | I | 97.4 | Very high | 97.4 | Very high | 64 Ų | 64 | 120.7 Ų | 120.7 | 33% | 0.328 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 175.5 | -68.5 | 164.8 | 0 | 0 | 0 | 110.8 | V70 L71 E72 E77 R78 | V70-I74 HydrophobicContact CG1-CD1 4.07Å; V70-I74 VanDerWaalsContact O-CG1 3.32Å; V70-I74 WeakPolarHBondContact O-CG1 3.5Å; V70-I74 PolarHBondContact O-N 3Å; V70-I74 VanDerWaalsContact O-N 3.07Å; L71-I74 PolarHBondContact O-N 3.32Å; E72-I74 PolarHBondContact O-N 3.13Å; I74-E77 PolarHBondContact O-N 3.32Å; I74-R78 WeakPolarHBondContact O-CG 3.32Å; I74-R78 PolarHBondContact O-N 3.2Å |
| 75 | E | 97.5 | Very high | 97.1 | Very high | 126 Ų | 126 | 116 Ų | 116 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.4 | -43.2 | 176.5 | -71.9 | -180 | -174.8 | 0 | 0 | 112 | L71 E72 L73 R78 K79 | L71-E75 PolarHBondContact O-N 3.1Å; E72-E75 PolarHBondContact O-N 3.14Å; L73-E75 VanDerWaalsContact C-N 3.34Å; L73-E75 PolarHBondContact O-N 3.04Å; E75-R78 PolarHBondContact O-N 3.09Å; E75-K79 WeakPolarHBondContact O-CB 3.45Å; E75-K79 PolarHBondContact O-N 3.15Å |
| 76 | Y | 98.2 | Very high | 96.8 | Very high | 151 Ų | 151 | 111 Ų | 111 | 59% | 0.592 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.6 | -44.8 | 173.3 | -98.2 | -79.2 | 0 | 0 | 0 | 111.7 | E72 L73 R78 K79 V80 | E72-Y76 WeakPolarHBondContact O-CB 3.31Å; E72-Y76 WeakPolarHBondContact O-CD2 3.47Å; E72-Y76 PolarHBondContact O-N 3.36Å; L73-Y76 PolarHBondContact O-N 2.88Å; Y76-R78 PolarHBondContact O-N 3.44Å; Y76-K79 WeakPolarHBondContact O-CB 3.38Å; Y76-K79 PolarHBondContact O-N 3.36Å; Y76-K79 VanDerWaalsContact O-N 3.15Å; Y76-V80 WeakPolarHBondContact O-CG2 3.49Å; Y76-V80 PolarHBondContact O-N 2.92Å |
| 77 | E | 97.1 | Very high | 96.4 | Very high | 101 Ų | 101 | 111.7 Ų | 111.7 | 47% | 0.472 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 177.3 | -167.2 | -163.4 | 156.9 | 0 | 0 | 111.4 | L73 I74 K79 V80 K81 | L73-E77 WeakPolarHBondContact O-CB 3.37Å; L73-E77 PolarHBondContact O-N 2.88Å; I74-E77 PolarHBondContact O-N 3.32Å; E77-K79 VanDerWaalsContact C-N 3.32Å; E77-K79 PolarHBondContact O-N 3.5Å; E77-V80 PolarHBondContact O-N 2.93Å; E77-K81 WeakPolarHBondContact O-CG 3.35Å; E77-K81 PolarHBondContact O-N 3.02Å; E77-K81 VanDerWaalsContact OE1-CE 3.29Å; E77-K81 WeakPolarHBondContact OE1-CE 3.41Å; E77-K81 IonicContact OE1-NZ 3.2Å; E77-K81 PolarHBondContact OE1-NZ 3.41Å |
| 78 | R | 97.5 | Very high | 95.8 | Very high | 161 Ų | 161 | 110.5 Ų | 110.5 | 61% | 0.608 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.8 | -39.2 | 175.4 | -71.4 | 175.6 | -172.8 | 174.5 | 2.8 | 111.9 | I74 E75 Y76 R82 | I74-R78 WeakPolarHBondContact O-CG 3.32Å; I74-R78 PolarHBondContact O-N 3.2Å; E75-R78 PolarHBondContact O-N 3.09Å; Y76-R78 PolarHBondContact O-N 3.44Å; R78-R82 WeakPolarHBondContact O-CG 3.29Å; R78-R82 PolarHBondContact O-N 2.65Å; R78-R82 VanDerWaalsContact O-N 3.1Å |
| 79 | K | 97.6 | Very high | 94.7 | Very high | 109 Ų | 109 | 110.6 Ų | 110.6 | 47% | 0.474 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 176.3 | -173.9 | 179.4 | 178 | -178.6 | 0 | 111.2 | E75 Y76 E77 K81 R82 M83 | E75-K79 WeakPolarHBondContact O-CB 3.45Å; E75-K79 PolarHBondContact O-N 3.15Å; Y76-K79 WeakPolarHBondContact O-CB 3.38Å; Y76-K79 PolarHBondContact O-N 3.36Å; Y76-K79 VanDerWaalsContact O-N 3.15Å; E77-K79 VanDerWaalsContact C-N 3.32Å; E77-K79 PolarHBondContact O-N 3.5Å; K79-K81 PolarHBondContact O-N 3.31Å; K79-R82 PolarHBondContact O-N 3.03Å; K79-M83 HydrophobicContact CG-SD 4.28Å; K79-M83 WeakPolarHBondContact O-CG 3.37Å; K79-M83 PolarHBondContact O-N 3.43Å |
| 80 | V | 96.8 | Very high | 93 | Very high | 76 Ų | 76 | 109.7 Ų | 109.7 | 46% | 0.461 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 177.1 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | Y76 E77 R82 M83 R84 | Y76-V80 WeakPolarHBondContact O-CG2 3.49Å; Y76-V80 PolarHBondContact O-N 2.92Å; E77-V80 PolarHBondContact O-N 2.93Å; V80-R82 PolarHBondContact O-N 2.88Å; V80-M83 PolarHBondContact O-N 2.93Å; V80-R84 WeakPolarHBondContact O-CB 3.36Å; V80-R84 PolarHBondContact O-N 3.06Å |
| 81 | K | 96 | Very high | 90.9 | Very high | 128 Ų | 128 | 111.5 Ų | 111.5 | 56% | 0.557 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.3 | -43.9 | 175.5 | -78.5 | 172.9 | 169.6 | 167.6 | 0 | 112.2 | E77 K79 R84 A85 | E77-K81 WeakPolarHBondContact O-CG 3.35Å; E77-K81 PolarHBondContact O-N 3.02Å; E77-K81 VanDerWaalsContact OE1-CE 3.29Å; E77-K81 WeakPolarHBondContact OE1-CE 3.41Å; E77-K81 IonicContact OE1-NZ 3.2Å; E77-K81 PolarHBondContact OE1-NZ 3.41Å; K79-K81 PolarHBondContact O-N 3.31Å; K81-R84 PolarHBondContact O-N 3.31Å; K81-A85 PolarHBondContact O-N 3.3Å |
| 82 | R | 94.5 | Very high | 88.8 | Confident | 178 Ų | 178 | 112.1 Ų | 112.1 | 67% | 0.672 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.6 | -44.7 | 175.5 | -73.9 | -172.7 | -68.8 | 155.8 | -4.7 | 112.6 | R78 K79 V80 R84 A85 A86 | R78-R82 WeakPolarHBondContact O-CG 3.29Å; R78-R82 PolarHBondContact O-N 2.65Å; R78-R82 VanDerWaalsContact O-N 3.1Å; K79-R82 PolarHBondContact O-N 3.03Å; V80-R82 PolarHBondContact O-N 2.88Å; R82-R84 VanDerWaalsContact C-N 3.32Å; R82-R84 PolarHBondContact O-N 2.76Å; R82-A85 PolarHBondContact O-N 3.41Å; R82-A86 PolarHBondContact O-N 3.46Å |
| 83 | M | 95.6 | Very high | 86.5 | Confident | 110 Ų | 110 | 113.2 Ų | 113.2 | 54% | 0.542 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.9 | -41.1 | 176.3 | -71.9 | 178.2 | 65.2 | 0 | 0 | 111.6 | K79 V80 A86 L87 | K79-M83 HydrophobicContact CG-SD 4.28Å; K79-M83 WeakPolarHBondContact O-CG 3.37Å; K79-M83 PolarHBondContact O-N 3.43Å; V80-M83 PolarHBondContact O-N 2.93Å; M83-A86 PolarHBondContact O-N 3.26Å; M83-L87 WeakPolarHBondContact O-CG 3.46Å; M83-L87 PolarHBondContact O-N 3.47Å |
| 84 | R | 93.9 | Very high | 84 | Confident | 163 Ų | 163 | 115.5 Ų | 115.5 | 62% | 0.615 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.9 | -47.4 | 175.4 | -175.7 | -179.7 | -66.6 | -171.9 | -1.7 | 111.2 | V80 K81 R82 L87 H88 | V80-R84 WeakPolarHBondContact O-CB 3.36Å; V80-R84 PolarHBondContact O-N 3.06Å; K81-R84 PolarHBondContact O-N 3.31Å; R82-R84 VanDerWaalsContact C-N 3.32Å; R82-R84 PolarHBondContact O-N 2.76Å; R84-L87 PolarHBondContact O-N 3.02Å; R84-H88 PolarHBondContact O-N 3.42Å; R84-H88 PolarHBondContact O-ND1 2.99Å |
| 85 | A | 92.9 | Very high | 81.6 | Confident | 47 Ų | 47 | 122 Ų | 122 | 39% | 0.388 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -59.5 | -47.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K81 R82 L87 H88 E89 | K81-A85 PolarHBondContact O-N 3.3Å; R82-A85 PolarHBondContact O-N 3.41Å; A85-L87 VanDerWaalsContact C-N 3.3Å; A85-L87 PolarHBondContact O-N 3.32Å; A85-H88 PolarHBondContact O-N 3.1Å; A85-E89 PolarHBondContact O-N 2.85Å |
| 86 | A | 92 | Very high | 78.9 | Confident | 60 Ų | 60 | 118.9 Ų | 118.9 | 50% | 0.496 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.7 | -36.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R82 M83 G90 | R82-A86 PolarHBondContact O-N 3.46Å; M83-A86 PolarHBondContact O-N 3.26Å; A86-G90 PolarHBondContact O-N 3.45Å; A86-G90 VanDerWaalsContact O-N 3.16Å |
| 87 | L | 90.3 | Very high | 76.1 | Confident | 122 Ų | 122 | 120.8 Ų | 120.8 | 64% | 0.639 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.7 | -38 | 174 | -72.2 | 171.9 | 0 | 0 | 0 | 112.3 | M83 R84 A85 G90 T91 | M83-L87 WeakPolarHBondContact O-CG 3.46Å; M83-L87 PolarHBondContact O-N 3.47Å; R84-L87 PolarHBondContact O-N 3.02Å; A85-L87 VanDerWaalsContact C-N 3.3Å; A85-L87 PolarHBondContact O-N 3.32Å; L87-G90 PolarHBondContact O-N 3.31Å; L87-T91 WeakPolarHBondContact O-CG2 3.49Å; L87-T91 PolarHBondContact O-N 3.41Å; L87-T91 PolarHBondContact O-OG1 3.46Å |
| 88 | H | 85.7 | Confident | 73.2 | Confident | 122 Ų | 122 | 124.5 Ų | 124.5 | 57% | 0.565 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.6 | -35.6 | 179.5 | -72.9 | 62 | 0 | 0 | 0 | 112.1 | R84 A85 G90 T91 | R84-H88 PolarHBondContact O-N 3.42Å; R84-H88 PolarHBondContact O-ND1 2.99Å; A85-H88 PolarHBondContact O-N 3.1Å; H88-G90 VanDerWaalsContact C-N 3.33Å; H88-T91 WeakPolarHBondContact CA-OG1 3.33Å; H88-T91 PolarHBondContact O-N 3.16Å; H88-T91 PolarHBondContact O-OG1 3.32Å |
| 89 | E | 74.3 | Confident | 70.8 | Confident | 154 Ų | 154 | 122.9 Ų | 122.9 | 72% | 0.72 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.4 | -37.4 | 172.4 | -74.7 | 173.6 | -171.1 | 0 | 0 | 111.5 | A85 T91 S92 | A85-E89 PolarHBondContact O-N 2.85Å; E89-T91 VanDerWaalsContact C-N 3.32Å; E89-T91 PolarHBondContact O-N 3.19Å; E89-S92 PolarHBondContact O-N 3.21Å |
| 90 | G | 63.2 | Low | 68.4 | Low | 52 Ų | 52 | 122.9 Ų | 122.9 | 54% | 0.536 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -72.6 | -17.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A86 L87 H88 | A86-G90 PolarHBondContact O-N 3.45Å; A86-G90 VanDerWaalsContact O-N 3.16Å; L87-G90 PolarHBondContact O-N 3.31Å; H88-G90 VanDerWaalsContact C-N 3.33Å |
| 91 | T | 53.9 | Low | 65.8 | Low | 109 Ų | 109 | 123.6 Ų | 123.6 | 67% | 0.669 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 3.8 | 177.1 | 46.6 | 0 | 0 | 0 | 0 | 114.2 | L87 H88 E89 L93 | L87-T91 WeakPolarHBondContact O-CG2 3.49Å; L87-T91 PolarHBondContact O-N 3.41Å; L87-T91 PolarHBondContact O-OG1 3.46Å; H88-T91 WeakPolarHBondContact CA-OG1 3.33Å; H88-T91 PolarHBondContact O-N 3.16Å; H88-T91 PolarHBondContact O-OG1 3.32Å; E89-T91 VanDerWaalsContact C-N 3.32Å; E89-T91 PolarHBondContact O-N 3.19Å; T91-L93 VanDerWaalsContact C-N 3.25Å; T91-L93 PolarHBondContact O-N 3.06Å |
| 92 | S | 53.1 | Low | 63.3 | Low | 104 Ų | 104 | 128.7 Ų | 128.7 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | trans | -91.5 | 35.6 | 175 | -172.4 | 0 | 0 | 0 | 0 | 112.8 | E89 | E89-S92 PolarHBondContact O-N 3.21Š| ||
| 93 | L | 50.2 | Low | 61 | Low | 131 Ų | 131 | 125.7 Ų | 125.7 | 69% | 0.686 | 69% | 0.694 | S | S | * | * | trans | -115.5 | 121.5 | 171.7 | -89.5 | 155.4 | 0 | 0 | 0 | 107.8 | T91 | T91-L93 VanDerWaalsContact C-N 3.25Å; T91-L93 PolarHBondContact O-N 3.06Å | ||
| 94 | E | 45.9 | Very low | 58.8 | Low | 158 Ų | 158 | 127.2 Ų | 127.2 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | trans | 88.7 | 67.1 | 169.5 | -43.2 | -52.7 | 139.1 | 0 | 0 | 118.1 | ||||
| 95 | E | 47.5 | Very low | 56.4 | Low | 201 Ų | 201 | 126.9 Ų | 126.9 | 94% | 0.939 | 72% | 0.72 | S | S | * | * | S | Bend | -115.7 | 114.6 | 129.3 | -80.6 | -172.8 | 170.6 | 0 | 0 | 107.4 | |||
| 96 | G | 40.4 | Very low | 54.1 | Low | 60 Ų | 60 | 129 Ų | 129 | 62% | 0.619 | 74% | 0.737 | S | S | * | * | trans | -71.2 | 140.8 | -156.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 97 | E | 39.6 | Very low | 51.8 | Low | 190 Ų | 190 | 130.3 Ų | 130.3 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | trans | -117.9 | 106.1 | 147 | -103 | -178.5 | 158.2 | 0 | 0 | 107.8 | P99 | E97-P99 WeakPolarHBondContact O-CD 3.16Š| ||
| 98 | H | 36.8 | Very low | 49.6 | Very low | 180 Ų | 180 | 131.5 Ų | 131.5 | 83% | 0.833 | 76% | 0.755 | S | S | * | * | trans | -63.9 | 119.5 | 175.9 | -63.9 | -91.5 | 0 | 0 | 0 | 111.3 | S100 | H98-S100 PolarHBondContact O-N 2.92Š| ||
| 99 | P | 47.5 | Very low | 47.5 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -81.1 | 99.8 | 150 | 30.1 | -28.2 | 0 | 0 | 0 | 107.8 | E97 A101 | E97-P99 WeakPolarHBondContact O-CD 3.16Å; P99-A101 PolarHBondContact O-N 2.97Å | ||
| 100 | S | 45.8 | Very low | 46.2 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | -48.1 | 129 | 166.5 | -177 | 0 | 0 | 0 | 0 | 111.5 | H98 | H98-S100 PolarHBondContact O-N 2.92Š| ||
| 101 | A | 42.5 | Very low | 45.6 | Very low | 90 Ų | 90 | 134.2 Ų | 134.2 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | trans | 57.8 | 109.3 | 150.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | P99 | P99-A101 PolarHBondContact O-N 2.97Š| ||
| 102 | R | 43.6 | Very low | 45.3 | Very low | 235 Ų | 235 | 134.6 Ų | 134.6 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | -177.1 | 130.7 | 99.9 | -167.3 | 170.5 | -175.8 | 176.2 | -0.1 | 110.3 | |||||
| 103 | P | 45.7 | Very low | 44.7 | Very low | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -80.6 | 132.3 | -179.3 | 32.5 | -30.4 | 0 | 0 | 0 | 109.6 | ||||
| 104 | T | 49.7 | Very low | 44.1 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | trans | -110.6 | 115.1 | 161.1 | -25.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 105 | D | 44.1 | Very low | 43.9 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -63.2 | 149.3 | 177.3 | -93 | -47 | 0 | 0 | 0 | 112.7 | ||||
| 106 | A | 43.4 | Very low | 43.4 | Very low | 91 Ų | 91 | 134.4 Ų | 134.4 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | 84.1 | 123.3 | 145.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 107 | A | 44.3 | Very low | 43.6 | Very low | 89 Ų | 89 | 139.3 Ų | 139.3 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | 71.3 | 130.4 | 145.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 108 | D | 44.6 | Very low | 44 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | cis | -149.5 | 127.5 | 22.3 | -98.1 | -45.6 | 0 | 0 | 0 | 109.2 | S110 | D108-S110 PolarHBondContact O-N 3.35Å; D108-S110 VanDerWaalsContact O-N 3.13Å | ||
| 109 | N | 42 | Very low | 44.2 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -78.8 | 91.1 | 168.4 | -112.8 | -3.4 | 0 | 0 | 0 | 108.5 | ||||
| 110 | S | 46.4 | Very low | 44.1 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -114.5 | 81.9 | 165.5 | -74.3 | 0 | 0 | 0 | 0 | 109.9 | D108 S112 | D108-S110 PolarHBondContact O-N 3.35Å; D108-S110 VanDerWaalsContact O-N 3.13Å; S110-S112 PolarHBondContact O-N 2.9Å; S110-S112 VanDerWaalsContact O-N 3.15Å | ||
| 111 | V | 49.8 | Very low | 43.9 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | trans | -81.1 | 86.9 | 169.2 | 174.8 | 0 | 0 | 0 | 0 | 108.2 | T113 | V111-T113 HydrophobicContact CG1-CG2 3.96Å; V111-T113 PolarHBondContact O-N 3.27Å | ||
| 112 | S | 48.6 | Very low | 44.1 | Very low | 117 Ų | 117 | 142 Ų | 142 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -76.9 | 94.2 | 163 | -96.1 | 0 | 0 | 0 | 0 | 109 | S110 S114 | S110-S112 PolarHBondContact O-N 2.9Å; S110-S112 VanDerWaalsContact O-N 3.15Å; S112-S114 PolarHBondContact O-N 3.4Å | ||
| 113 | T | 41 | Very low | 44.4 | Very low | 132 Ų | 132 | 136 Ų | 136 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -80.3 | 89.2 | 163.9 | 38.5 | 0 | 0 | 0 | 0 | 108.9 | V111 | V111-T113 HydrophobicContact CG1-CG2 3.96Å; V111-T113 PolarHBondContact O-N 3.27Å | ||
| 114 | S | 38 | Very low | 44.5 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -160.8 | 111.1 | 160.3 | -165.8 | 0 | 0 | 0 | 0 | 109.4 | S112 | S112-S114 PolarHBondContact O-N 3.4Š| ||
| 115 | V | 40.4 | Very low | 44.7 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | -176 | 119.5 | 106.3 | 158.9 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 116 | R | 37 | Very low | 44.6 | Very low | 221 Ų | 221 | 133 Ų | 133 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | -71.3 | 142.3 | 161.6 | -172.4 | -174 | -174 | 175.5 | 2.9 | 108.9 | ||||
| 117 | K | 43.9 | Very low | 44.8 | Very low | 162 Ų | 162 | 136 Ų | 136 | 70% | 0.704 | 77% | 0.771 | S | S | * | * | trans | 123.3 | 104.6 | 146.1 | -67 | -178.4 | -178.7 | -179.9 | 0 | 115.9 | ||||
| 118 | H | 48.5 | Very low | 45 | Very low | 194 Ų | 194 | 137.2 Ų | 137.2 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | -146.3 | 114.5 | 126.6 | -67.3 | -74.8 | 0 | 0 | 0 | 103 | |||||
| 119 | R | 41.1 | Very low | 45.1 | Very low | 196 Ų | 196 | 135.1 Ų | 135.1 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | cis | 48.4 | 67 | 37 | -151.5 | 178.1 | -171.4 | -165.7 | -1.8 | 113.8 | D121 | R119-D121 HydrophobicContact CG-CB 4.4Å; R119-D121 IonicContact CZ-OD1 3.86Å; R119-D121 IonicContact CZ-OD2 2.65Å; R119-D121 VanDerWaalsContact CZ-OD2 3.24Å; R119-D121 VanDerWaalsContact NE-CG 3.27Å; R119-D121 IonicContact NE-OD1 2.97Å; R119-D121 PolarHBondContact NE-OD1 3.5Å; R119-D121 IonicContact NE-OD2 2.86Å; R119-D121 PolarHBondContact NE-OD2 3.22Å; R119-D121 IonicContact NH2-OD1 2.65Å; R119-D121 PolarHBondContact NH2-OD1 2.86Å; R119-D121 IonicContact NH2-OD2 2.96Å; R119-D121 PolarHBondContact NH2-OD2 2.97Å | ||
| 120 | G | 45.3 | Very low | 45.5 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | -102.1 | 112.7 | 120 | 0 | 0 | 0 | 0 | 0 | 104.9 | |||||
| 121 | D | 42.5 | Very low | 45.6 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 55% | 0.551 | 77% | 0.772 | S | S | * | * | 43.5 | 101 | 56 | -73.4 | -3.6 | 0 | 0 | 0 | 111.4 | R119 | R119-D121 HydrophobicContact CG-CB 4.4Å; R119-D121 IonicContact CZ-OD1 3.86Å; R119-D121 IonicContact CZ-OD2 2.65Å; R119-D121 VanDerWaalsContact CZ-OD2 3.24Å; R119-D121 VanDerWaalsContact NE-CG 3.27Å; R119-D121 IonicContact NE-OD1 2.97Å; R119-D121 PolarHBondContact NE-OD1 3.5Å; R119-D121 IonicContact NE-OD2 2.86Å; R119-D121 PolarHBondContact NE-OD2 3.22Å; R119-D121 IonicContact NH2-OD1 2.65Å; R119-D121 PolarHBondContact NH2-OD1 2.86Å; R119-D121 IonicContact NH2-OD2 2.96Å; R119-D121 PolarHBondContact NH2-OD2 2.97Å | |||
| 122 | E | 47.2 | Very low | 45.8 | Very low | 185 Ų | 185 | 133.5 Ų | 133.5 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | 121.6 | 140.6 | 153.6 | -71.2 | -150 | 136.1 | 0 | 0 | 117.6 | ||||
| 123 | P | 49.7 | Very low | 46.1 | Very low | 110 Ų | 110 | 134 Ų | 134 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | -124.3 | 161 | -63 | 21.3 | -0.7 | 0 | 0 | 0 | 111 | |||||
| 124 | L | 47.4 | Very low | 46.6 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -66.1 | 131.9 | 171.5 | -66.4 | 167.8 | 0 | 0 | 0 | 109.5 | G126 | L124-G126 VanDerWaalsContact C-N 3.28Å; L124-G126 PolarHBondContact O-N 3.23Å | ||
| 125 | P | 54.1 | Low | 47 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | -69.4 | 92.2 | 165.5 | 27.8 | -30.9 | 0 | 0 | 0 | 108.5 | N127 | P125-N127 PolarHBondContact O-N 3.15Å; P125-N127 VanDerWaalsContact O-N 3.1Å | ||
| 126 | G | 42.5 | Very low | 47.2 | Very low | 65 Ų | 65 | 137.5 Ų | 137.5 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | -73.7 | 82.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | L124 S128 | L124-G126 VanDerWaalsContact C-N 3.28Å; L124-G126 PolarHBondContact O-N 3.23Å; G126-S128 PolarHBondContact O-N 3.4Å; G126-S128 VanDerWaalsContact O-N 3.09Å | ||
| 127 | N | 46.6 | Very low | 48 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -79.6 | 75 | 157 | -87.4 | 30.2 | 0 | 0 | 0 | 107.7 | P125 A129 | P125-N127 PolarHBondContact O-N 3.15Å; P125-N127 VanDerWaalsContact O-N 3.1Å; N127-A129 PolarHBondContact O-N 3.26Å | ||
| 128 | S | 47.9 | Very low | 48.2 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -71.9 | 83 | 153.5 | -64.7 | 0 | 0 | 0 | 0 | 107 | G126 | G126-S128 PolarHBondContact O-N 3.4Å; G126-S128 VanDerWaalsContact O-N 3.09Å | ||
| 129 | A | 47 | Very low | 48.2 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -102.3 | 74.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | N127 | N127-A129 PolarHBondContact O-N 3.26Š| ||
| 130 | A | 50.5 | Low | 48.5 | Very low | 77 Ų | 77 | 130.9 Ų | 130.9 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | -130.5 | 145 | 162.7 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 131 | D | 48.4 | Very low | 48.7 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | 90.6 | 116.5 | -168.6 | -53.4 | -17.9 | 0 | 0 | 0 | 113.1 | ||||
| 132 | D | 53.7 | Low | 49.1 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 62% | 0.615 | 81% | 0.809 | S | S | * | * | cis | -173.8 | 138.2 | -2 | -151.5 | -15.9 | 0 | 0 | 0 | 107 | ||||
| 133 | P | 56 | Low | 49.3 | Very low | 128 Ų | 128 | 133 Ų | 133 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | trans | -99.6 | 79.4 | 158.2 | 34.3 | -27.1 | 0 | 0 | 0 | 110.3 | ||||
| 134 | E | 51.7 | Low | 49.2 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 74% | 0.738 | 81% | 0.812 | S | S | * | * | trans | -93.4 | 143.5 | 157.4 | -89.4 | -166.6 | 160.1 | 0 | 0 | 109 | ||||
| 135 | T | 45.3 | Very low | 49.4 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | cis | -169.6 | 153.7 | -21.2 | 13 | 0 | 0 | 0 | 0 | 103.6 | N137 | T135-N137 PolarHBondContact O-N 3.13Š| ||
| 136 | D | 44.1 | Very low | 49 | Very low | 164 Ų | 164 | 133.3 Ų | 133.3 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -48 | 127.7 | 174.6 | -82.3 | -42.7 | 0 | 0 | 0 | 113.5 | ||||
| 137 | N | 54 | Low | 49.6 | Very low | 242 Ų | 242 | 139.5 Ų | 139.5 | 100% | 1.294 | 82% | 0.823 | S | S | * | * | trans | -154.2 | 0 | 140.9 | -99.3 | -21.3 | 0 | 0 | 0 | 109.6 | T135 | T135-N137 PolarHBondContact O-N 3.13Š|
Retrieved 137 of 137 residues in 186.1 ms
(Link to these results)