| 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 | 44.5 | Very low | 83.9 | Confident | 237 Ų | 237 | 114.7 Ų | 114.7 | 100% | 1.167 | 64% | 0.64 | S | S | * | * | 0 | 111 | 0 | -67.5 | -58.3 | 179.4 | 0 | 0 | 107.7 | G3 | M1-G3 PolarHBondContact O-N 3.27Š| |||
| 2 | A | 61.8 | Low | 84.7 | Confident | 107 Ų | 107 | 109.6 Ų | 109.6 | 88% | 0.884 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 122.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||
| 3 | G | 79.4 | Confident | 85.4 | Confident | 71 Ų | 71 | 110.3 Ų | 110.3 | 73% | 0.732 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 158.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | M1 | M1-G3 PolarHBondContact O-N 3.27Š|
| 4 | F | 83.6 | Confident | 86.2 | Confident | 186 Ų | 186 | 108.4 Ų | 108.4 | 82% | 0.816 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 140.6 | 174.8 | -67 | -73.6 | 0 | 0 | 0 | 111.4 | A8 V9 | F4-A8 HydrophobicContact CB-CB 4.46Å; F4-V9 HydrophobicContact CB-CG2 4.08Å |
| 5 | S | 92.9 | Very high | 86.8 | Confident | 73 Ų | 73 | 104.1 Ų | 104.1 | 51% | 0.51 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 147.4 | 171.6 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | Y7 A8 V9 | S5-Y7 PolarHBondContact O-N 3.37Å; S5-Y7 VanDerWaalsContact O-N 3.15Å; S5-Y7 PolarHBondContact OG-N 3.29Å; S5-A8 WeakPolarHBondContact O-CB 3.21Å; S5-A8 PolarHBondContact O-N 3.19Å; S5-V9 PolarHBondContact O-N 3.07Å |
| 6 | S | 92 | Very high | 87.3 | Confident | 88 Ų | 88 | 98.8 Ų | 98.8 | 62% | 0.615 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -55.6 | -32.4 | 176 | 64.3 | 0 | 0 | 0 | 0 | 112.4 | R10 | S6-R10 WeakPolarHBondContact O-CG 3.41Å; S6-R10 PolarHBondContact O-N 3.44Å |
| 7 | Y | 94.2 | Very high | 87.8 | Confident | 151 Ų | 151 | 102.9 Ų | 102.9 | 59% | 0.592 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.1 | -46.3 | 173.9 | 179 | -100.6 | 0 | 0 | 0 | 112 | S5 V9 R10 M11 | S5-Y7 PolarHBondContact O-N 3.37Å; S5-Y7 VanDerWaalsContact O-N 3.15Å; S5-Y7 PolarHBondContact OG-N 3.29Å; Y7-V9 VanDerWaalsContact C-N 3.31Å; Y7-V9 PolarHBondContact O-N 3.05Å; Y7-R10 WeakPolarHBondContact O-CB 3.3Å; Y7-R10 PolarHBondContact O-N 2.9Å; Y7-R10 VanDerWaalsContact O-N 3.08Å; Y7-M11 HydrophobicContact CD1-CG 3.97Å; Y7-M11 HydrophobicContact CD2-CG 4.44Å; Y7-M11 HydrophobicContact CE1-CG 3.49Å; Y7-M11 VanDerWaalsContact CE1-CG 3.49Å; Y7-M11 HydrophobicContact CE1-SD 4.31Å; Y7-M11 HydrophobicContact CE2-CE 3.9Å; Y7-M11 HydrophobicContact CE2-CG 4.01Å; Y7-M11 HydrophobicContact CE2-SD 4.14Å; Y7-M11 HydrophobicContact CG-CG 4.42Å; Y7-M11 WeakPolarHBondContact O-CG 3.5Å; Y7-M11 PolarHBondContact O-N 3.24Å |
| 8 | A | 93.3 | Very high | 88.3 | Confident | 42 Ų | 42 | 103.6 Ų | 103.6 | 35% | 0.347 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.7 | -40.6 | 180 | 0 | 0 | 0 | 0 | 0 | 111.7 | F4 S5 R10 M11 A12 | F4-A8 HydrophobicContact CB-CB 4.46Å; S5-A8 WeakPolarHBondContact O-CB 3.21Å; S5-A8 PolarHBondContact O-N 3.19Å; A8-R10 VanDerWaalsContact C-N 3.34Å; A8-R10 PolarHBondContact O-N 3.42Å; A8-M11 PolarHBondContact O-N 3.35Å; A8-A12 WeakPolarHBondContact O-CB 3.24Å; A8-A12 PolarHBondContact O-N 3.36Å |
| 9 | V | 92.3 | Very high | 88.8 | Confident | 57 Ų | 57 | 106.3 Ų | 106.3 | 35% | 0.345 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.4 | -38.8 | 175.6 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | F4 S5 Y7 R13 | F4-V9 HydrophobicContact CB-CG2 4.08Å; S5-V9 PolarHBondContact O-N 3.07Å; Y7-V9 VanDerWaalsContact C-N 3.31Å; Y7-V9 PolarHBondContact O-N 3.05Å; V9-R13 WeakPolarHBondContact O-CG 3.3Å; V9-R13 PolarHBondContact O-N 3.4Å; V9-R13 VanDerWaalsContact O-N 3.12Å |
| 10 | R | 93.8 | Very high | 88.9 | Confident | 176 Ų | 176 | 104.6 Ų | 104.6 | 66% | 0.664 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.3 | -41.2 | 176.4 | -71 | 174 | -172.7 | -141 | 3.1 | 111.6 | S6 Y7 A8 R13 L14 | S6-R10 WeakPolarHBondContact O-CG 3.41Å; S6-R10 PolarHBondContact O-N 3.44Å; Y7-R10 WeakPolarHBondContact O-CB 3.3Å; Y7-R10 PolarHBondContact O-N 2.9Å; Y7-R10 VanDerWaalsContact O-N 3.08Å; A8-R10 VanDerWaalsContact C-N 3.34Å; A8-R10 PolarHBondContact O-N 3.42Å; R10-R13 PolarHBondContact O-N 2.98Å; R10-L14 WeakPolarHBondContact O-CB 3.49Å; R10-L14 PolarHBondContact O-N 3.44Å |
| 11 | M | 95.3 | Very high | 89.1 | Confident | 74 Ų | 74 | 105.3 Ų | 105.3 | 37% | 0.365 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.2 | -43.8 | 176.4 | -70.7 | -59.7 | 102.1 | 0 | 0 | 111.9 | Y7 A8 R13 L14 S15 | Y7-M11 HydrophobicContact CD1-CG 3.97Å; Y7-M11 HydrophobicContact CD2-CG 4.44Å; Y7-M11 HydrophobicContact CE1-CG 3.49Å; Y7-M11 VanDerWaalsContact CE1-CG 3.49Å; Y7-M11 HydrophobicContact CE1-SD 4.31Å; Y7-M11 HydrophobicContact CE2-CE 3.9Å; Y7-M11 HydrophobicContact CE2-CG 4.01Å; Y7-M11 HydrophobicContact CE2-SD 4.14Å; Y7-M11 HydrophobicContact CG-CG 4.42Å; Y7-M11 WeakPolarHBondContact O-CG 3.5Å; Y7-M11 PolarHBondContact O-N 3.24Å; A8-M11 PolarHBondContact O-N 3.35Å; M11-R13 VanDerWaalsContact C-N 3.34Å; M11-R13 PolarHBondContact O-N 3.41Å; M11-L14 HydrophobicContact CE-CD2 4.11Å; M11-L14 WeakPolarHBondContact O-CB 3.21Å; M11-L14 PolarHBondContact O-N 2.93Å; M11-L14 VanDerWaalsContact O-N 3.14Å; M11-L14 HydrophobicContact SD-CD2 4.43Å; M11-S15 PolarHBondContact O-N 2.81Å; M11-S15 PolarHBondContact O-OG 3.37Å |
| 12 | A | 93.2 | Very high | 91.4 | Very high | 53 Ų | 53 | 96.6 Ų | 96.6 | 44% | 0.438 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | A8 L14 S15 S16 | A8-A12 WeakPolarHBondContact O-CB 3.24Å; A8-A12 PolarHBondContact O-N 3.36Å; A12-L14 VanDerWaalsContact C-N 3.33Å; A12-L14 PolarHBondContact O-N 3.06Å; A12-S15 WeakPolarHBondContact CA-OG 3.47Å; A12-S15 PolarHBondContact O-OG 3.13Å; A12-S16 PolarHBondContact O-N 3.36Å; A12-S16 PolarHBondContact O-OG 2.9Å |
| 13 | R | 94.2 | Very high | 92.9 | Very high | 119 Ų | 119 | 93.7 Ų | 93.7 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.5 | -36.1 | 174.7 | -72.2 | 176.8 | -174.6 | 170.6 | 2.9 | 112.5 | V9 R10 M11 R17 | V9-R13 WeakPolarHBondContact O-CG 3.3Å; V9-R13 PolarHBondContact O-N 3.4Å; V9-R13 VanDerWaalsContact O-N 3.12Å; R10-R13 PolarHBondContact O-N 2.98Å; M11-R13 VanDerWaalsContact C-N 3.34Å; M11-R13 PolarHBondContact O-N 3.41Å; R13-R17 WeakPolarHBondContact O-CG 3.27Å; R13-R17 PolarHBondContact O-N 3.37Å |
| 14 | L | 95.8 | Very high | 93.4 | Very high | 83 Ų | 83 | 100.3 Ų | 100.3 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.7 | -48 | 177.4 | 179.5 | 65 | 0 | 0 | 0 | 110.7 | R10 M11 A12 S16 R17 I18 | R10-L14 WeakPolarHBondContact O-CB 3.49Å; R10-L14 PolarHBondContact O-N 3.44Å; M11-L14 HydrophobicContact CE-CD2 4.11Å; M11-L14 WeakPolarHBondContact O-CB 3.21Å; M11-L14 PolarHBondContact O-N 2.93Å; M11-L14 VanDerWaalsContact O-N 3.14Å; M11-L14 HydrophobicContact SD-CD2 4.43Å; A12-L14 VanDerWaalsContact C-N 3.33Å; A12-L14 PolarHBondContact O-N 3.06Å; L14-S16 PolarHBondContact O-N 3.17Å; L14-R17 WeakPolarHBondContact O-CB 3.37Å; L14-R17 PolarHBondContact O-N 2.95Å; L14-R17 VanDerWaalsContact O-N 3.15Å; L14-I18 HydrophobicContact CD1-CD1 4.18Å; L14-I18 HydrophobicContact CD1-CG1 4.48Å; L14-I18 HydrophobicContact CG-CD1 3.9Å; L14-I18 WeakPolarHBondContact O-CG1 3.41Å; L14-I18 PolarHBondContact O-N 3.35Å |
| 15 | S | 95.6 | Very high | 93.6 | Very high | 44 Ų | 44 | 97.1 Ų | 97.1 | 31% | 0.308 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 177.8 | 57.7 | 0 | 0 | 0 | 0 | 111.6 | M11 A12 R17 I18 F19 | M11-S15 PolarHBondContact O-N 2.81Å; M11-S15 PolarHBondContact O-OG 3.37Å; A12-S15 WeakPolarHBondContact CA-OG 3.47Å; A12-S15 PolarHBondContact O-OG 3.13Å; S15-R17 PolarHBondContact O-N 3.01Å; S15-I18 PolarHBondContact O-N 3.15Å; S15-I18 VanDerWaalsContact O-N 3.09Å; S15-F19 WeakPolarHBondContact O-CD2 3.41Å; S15-F19 PolarHBondContact O-N 2.88Å |
| 16 | S | 95.2 | Very high | 93.5 | Very high | 19 Ų | 19 | 96.6 Ų | 96.6 | 13% | 0.133 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -63.1 | -30.6 | 177.7 | -62.2 | 0 | 0 | 0 | 0 | 112.7 | A12 L14 G20 E21 | A12-S16 PolarHBondContact O-N 3.36Å; A12-S16 PolarHBondContact O-OG 2.9Å; L14-S16 PolarHBondContact O-N 3.17Å; S16-G20 CarbonylContact O-C 3.58Å; S16-G20 PolarHBondContact O-N 3.04Å; S16-G20 VanDerWaalsContact O-N 3.15Å; S16-E21 PolarHBondContact O-N 3.24Å; S16-E21 PolarHBondContact OG-OE2 2.92Å |
| 17 | R | 95.3 | Very high | 93.6 | Very high | 170 Ų | 170 | 98.2 Ų | 98.2 | 64% | 0.642 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.8 | -42.9 | 171.5 | -74.1 | 174.5 | -168.7 | -174.5 | 0.4 | 112.5 | R13 L14 S15 F19 G20 V23 | R13-R17 WeakPolarHBondContact O-CG 3.27Å; R13-R17 PolarHBondContact O-N 3.37Å; L14-R17 WeakPolarHBondContact O-CB 3.37Å; L14-R17 PolarHBondContact O-N 2.95Å; L14-R17 VanDerWaalsContact O-N 3.15Å; S15-R17 PolarHBondContact O-N 3.01Å; R17-F19 VanDerWaalsContact C-N 3.34Å; R17-G20 PolarHBondContact O-N 3.39Å; R17-V23 HydrophobicContact CB-CG2 4.36Å; R17-V23 HydrophobicContact CG-CB 4.34Å; R17-V23 HydrophobicContact CG-CG1 3.88Å; R17-V23 HydrophobicContact CG-CG2 3.43Å; R17-V23 VanDerWaalsContact CG-CG2 3.43Å |
| 18 | I | 97.3 | Very high | 93.5 | Very high | 114 Ų | 114 | 96.2 Ų | 96.2 | 59% | 0.585 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.9 | -42.8 | -177.9 | -69.2 | 168.2 | 0 | 0 | 0 | 110.3 | L14 S15 | L14-I18 HydrophobicContact CD1-CD1 4.18Å; L14-I18 HydrophobicContact CD1-CG1 4.48Å; L14-I18 HydrophobicContact CG-CD1 3.9Å; L14-I18 WeakPolarHBondContact O-CG1 3.41Å; L14-I18 PolarHBondContact O-N 3.35Å; S15-I18 PolarHBondContact O-N 3.15Å; S15-I18 VanDerWaalsContact O-N 3.09Å |
| 19 | F | 96.8 | Very high | 93.5 | Very high | 156 Ų | 156 | 102.9 Ų | 102.9 | 68% | 0.684 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 3.6 | -176.6 | -60.8 | -64.1 | 0 | 0 | 0 | 114.3 | S15 R17 E21 | S15-F19 WeakPolarHBondContact O-CD2 3.41Å; S15-F19 PolarHBondContact O-N 2.88Å; R17-F19 VanDerWaalsContact C-N 3.34Å; F19-E21 VanDerWaalsContact C-N 3.33Å; F19-E21 HydrophobicContact CB-CG 4.35Å; F19-E21 PolarHBondContact O-N 3.12Å |
| 20 | G | 92.6 | Very high | 93.6 | Very high | 71 Ų | 71 | 103 Ų | 103 | 73% | 0.732 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 23.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S16 R17 | S16-G20 CarbonylContact O-C 3.58Å; S16-G20 PolarHBondContact O-N 3.04Å; S16-G20 VanDerWaalsContact O-N 3.15Å; R17-G20 PolarHBondContact O-N 3.39Å |
| 21 | E | 92.2 | Very high | 93.6 | Very high | 120 Ų | 120 | 97.6 Ų | 97.6 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | trans | -85.1 | 178.6 | 174.9 | -56.8 | 178.9 | 160.9 | 0 | 0 | 112.1 | S16 F19 V23 | S16-E21 PolarHBondContact O-N 3.24Å; S16-E21 PolarHBondContact OG-OE2 2.92Å; F19-E21 VanDerWaalsContact C-N 3.33Å; F19-E21 HydrophobicContact CB-CG 4.35Å; F19-E21 PolarHBondContact O-N 3.12Å; E21-V23 PolarHBondContact O-N 2.92Å | ||
| 22 | V | 93.5 | Very high | 93.6 | Very high | 55 Ų | 55 | 100.3 Ų | 100.3 | 33% | 0.333 | 53% | 0.525 | S | S | . | . | trans | -70.8 | 114 | -178.5 | -175 | 0 | 0 | 0 | 0 | 111.2 | R24 T26 M31 V34 | V22-R24 WeakPolarHBondContact CG1-O 3.39Å; V22-T26 WeakPolarHBondContact CG1-OG1 3.24Å; V22-M31 HydrophobicContact CB-SD 4.32Å; V22-M31 HydrophobicContact CG1-SD 4.25Å; V22-M31 HydrophobicContact CG2-CE 3.95Å; V22-M31 HydrophobicContact CG2-SD 3.99Å; V22-V34 HydrophobicContact CG2-CG1 4.29Å; V22-V34 HydrophobicContact CG2-CG2 3.84Å | ||
| 23 | V | 92.4 | Very high | 93.6 | Very high | 46 Ų | 46 | 101.6 Ų | 101.6 | 28% | 0.279 | 53% | 0.527 | S | S | . | . | trans | -85 | -33.4 | -176.6 | -178 | 0 | 0 | 0 | 0 | 113.1 | R17 E21 | R17-V23 HydrophobicContact CB-CG2 4.36Å; R17-V23 HydrophobicContact CG-CB 4.34Å; R17-V23 HydrophobicContact CG-CG1 3.88Å; R17-V23 HydrophobicContact CG-CG2 3.43Å; R17-V23 VanDerWaalsContact CG-CG2 3.43Å; E21-V23 PolarHBondContact O-N 2.92Å | ||
| 24 | R | 89.2 | Confident | 93.6 | Very high | 209 Ų | 209 | 98.2 Ų | 98.2 | 79% | 0.789 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -83.9 | 136.5 | -177.1 | -69.6 | -178.1 | 178.7 | 171.5 | 0.4 | 109.2 | V22 T26 | V22-R24 WeakPolarHBondContact CG1-O 3.39Å; R24-T26 PolarHBondContact O-N 3.26Å; R24-T26 PolarHBondContact O-OG1 2.76Å |
| 25 | P | 88.1 | Confident | 93.5 | Very high | 120 Ų | 120 | 100 Ų | 100 | 78% | 0.779 | 53% | 0.525 | S | S | * | . | trans | -58.5 | 117.7 | 171.1 | 26.9 | -32.4 | 0 | 0 | 0 | 107.4 | ||||
| 26 | T | 92.1 | Very high | 93.4 | Very high | 61 Ų | 61 | 103.1 Ų | 103.1 | 37% | 0.374 | 54% | 0.538 | S | S | . | . | trans | -124.8 | 138.1 | -172.1 | -57 | 0 | 0 | 0 | 0 | 107.5 | V22 R24 M31 | V22-T26 WeakPolarHBondContact CG1-OG1 3.24Å; R24-T26 PolarHBondContact O-N 3.26Å; R24-T26 PolarHBondContact O-OG1 2.76Å; T26-M31 HydrophobicContact CG2-CG 4.49Å; T26-M31 HydrophobicContact CG2-SD 4.27Å | ||
| 27 | D | 93.9 | Very high | 93.3 | Very high | 122 Ų | 122 | 110.6 Ų | 110.6 | 65% | 0.652 | 57% | 0.569 | S | S | * | * | trans | -61.3 | 151.3 | 179.9 | -64.6 | -28.9 | 0 | 0 | 0 | 111.4 | K29 S30 M31 | D27-K29 PolarHBondContact O-N 3.12Å; D27-K29 VanDerWaalsContact O-N 3.17Å; D27-S30 PolarHBondContact O-N 2.92Å; D27-M31 PolarHBondContact O-N 2.9Å | ||
| 28 | S | 91.3 | Very high | 93.3 | Very high | 110 Ų | 110 | 109.1 Ų | 109.1 | 77% | 0.769 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -34.1 | 178 | 56.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 29 | K | 93.8 | Very high | 93 | Very high | 182 Ų | 182 | 109.5 Ų | 109.5 | 79% | 0.791 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -39.4 | 174.6 | -66.3 | -176.2 | -178.1 | 177.8 | 0 | 112.4 | D27 K32 | D27-K29 PolarHBondContact O-N 3.12Å; D27-K29 VanDerWaalsContact O-N 3.17Å; K29-K32 WeakPolarHBondContact O-CB 3.21Å; K29-K32 PolarHBondContact O-N 3.49Å |
| 30 | S | 93.2 | Very high | 92.8 | Very high | 58 Ų | 58 | 106 Ų | 106 | 41% | 0.406 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.4 | -28.1 | -178.1 | -64.6 | 0 | 0 | 0 | 0 | 112.1 | D27 K32 V33 | D27-S30 PolarHBondContact O-N 2.92Å; S30-K32 PolarHBondContact O-N 3.05Å; S30-K32 VanDerWaalsContact O-N 3.16Å; S30-V33 WeakPolarHBondContact O-CB 3.45Å; S30-V33 PolarHBondContact O-N 3.17Å; S30-V33 VanDerWaalsContact O-N 3.07Å |
| 31 | M | 95.1 | Very high | 92.9 | Very high | 63 Ų | 63 | 106 Ų | 106 | 31% | 0.31 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.4 | -21 | 171.2 | -71.5 | -58.8 | -62.4 | 0 | 0 | 113.5 | V22 T26 D27 V33 V34 Q35 | V22-M31 HydrophobicContact CB-SD 4.32Å; V22-M31 HydrophobicContact CG1-SD 4.25Å; V22-M31 HydrophobicContact CG2-CE 3.95Å; V22-M31 HydrophobicContact CG2-SD 3.99Å; T26-M31 HydrophobicContact CG2-CG 4.49Å; T26-M31 HydrophobicContact CG2-SD 4.27Å; D27-M31 PolarHBondContact O-N 2.9Å; M31-V33 PolarHBondContact O-N 3.06Å; M31-V34 HydrophobicContact CE-CB 4.42Å; M31-V34 HydrophobicContact CE-CG2 4.49Å; M31-V34 WeakPolarHBondContact O-CB 3.25Å; M31-V34 PolarHBondContact O-N 2.92Å; M31-V34 HydrophobicContact SD-CG2 4.43Å; M31-Q35 PolarHBondContact O-N 3.26Å |
| 32 | K | 94.4 | Very high | 93 | Very high | 131 Ų | 131 | 105.9 Ų | 105.9 | 57% | 0.57 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -57.4 | -36.5 | 172.2 | -174.1 | 178 | -179.8 | 178.5 | 0 | 112.2 | K29 S30 V34 Q35 L36 | K29-K32 WeakPolarHBondContact O-CB 3.21Å; K29-K32 PolarHBondContact O-N 3.49Å; S30-K32 PolarHBondContact O-N 3.05Å; S30-K32 VanDerWaalsContact O-N 3.16Å; K32-V34 VanDerWaalsContact C-N 3.32Å; K32-V34 PolarHBondContact O-N 3.16Å; K32-Q35 PolarHBondContact O-N 2.92Å; K32-L36 HydrophobicContact CG-CD1 4.2Å; K32-L36 HydrophobicContact CG-CG 4.36Å; K32-L36 VanDerWaalsContact O-CG 3.31Å; K32-L36 WeakPolarHBondContact O-CG 3.11Å; K32-L36 PolarHBondContact O-N 2.95Å |
| 33 | V | 94.3 | Very high | 93 | Very high | 80 Ų | 80 | 106.6 Ų | 106.6 | 49% | 0.485 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.6 | -42 | 179.8 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | S30 M31 Q35 L36 F37 | S30-V33 WeakPolarHBondContact O-CB 3.45Å; S30-V33 PolarHBondContact O-N 3.17Å; S30-V33 VanDerWaalsContact O-N 3.07Å; M31-V33 PolarHBondContact O-N 3.06Å; V33-Q35 VanDerWaalsContact C-N 3.33Å; V33-Q35 PolarHBondContact O-N 3.25Å; V33-L36 PolarHBondContact O-N 3.22Å; V33-F37 HydrophobicContact CG1-CD2 3.85Å; V33-F37 HydrophobicContact CG1-CE2 3.82Å; V33-F37 VanDerWaalsContact O-CD2 3.25Å; V33-F37 WeakPolarHBondContact O-CD2 3.43Å; V33-F37 PolarHBondContact O-N 3.32Å |
| 34 | V | 94.4 | Very high | 93.1 | Very high | 48 Ų | 48 | 111.9 Ų | 111.9 | 29% | 0.291 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.6 | -46.7 | 176 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | V22 M31 K32 L36 F37 Q38 | V22-V34 HydrophobicContact CG2-CG1 4.29Å; V22-V34 HydrophobicContact CG2-CG2 3.84Å; M31-V34 HydrophobicContact CE-CB 4.42Å; M31-V34 HydrophobicContact CE-CG2 4.49Å; M31-V34 WeakPolarHBondContact O-CB 3.25Å; M31-V34 PolarHBondContact O-N 2.92Å; M31-V34 HydrophobicContact SD-CG2 4.43Å; K32-V34 VanDerWaalsContact C-N 3.32Å; K32-V34 PolarHBondContact O-N 3.16Å; V34-L36 PolarHBondContact O-N 3.18Å; V34-F37 PolarHBondContact O-N 3.07Å; V34-Q38 HydrophobicContact CG1-CG 4.34Å; V34-Q38 VanDerWaalsContact O-CG 3.27Å; V34-Q38 WeakPolarHBondContact O-CG 3.27Å; V34-Q38 PolarHBondContact O-N 3.44Å |
| 35 | Q | 92.9 | Very high | 93.4 | Very high | 120 Ų | 120 | 106.3 Ų | 106.3 | 56% | 0.561 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62 | -40.6 | 177.4 | -66.9 | 173.2 | -2.5 | 0 | 0 | 113 | M31 K32 V33 F37 Q38 | M31-Q35 PolarHBondContact O-N 3.26Å; K32-Q35 PolarHBondContact O-N 2.92Å; V33-Q35 VanDerWaalsContact C-N 3.33Å; V33-Q35 PolarHBondContact O-N 3.25Å; Q35-F37 PolarHBondContact O-N 3.49Å; Q35-Q38 PolarHBondContact O-N 3.45Å |
| 36 | L | 94 | Very high | 93.7 | Very high | 110 Ų | 110 | 107.5 Ų | 107.5 | 58% | 0.576 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.2 | -27.3 | 178.2 | -75.3 | 171.8 | 0 | 0 | 0 | 113.5 | K32 V33 V34 | K32-L36 HydrophobicContact CG-CD1 4.2Å; K32-L36 HydrophobicContact CG-CG 4.36Å; K32-L36 VanDerWaalsContact O-CG 3.31Å; K32-L36 WeakPolarHBondContact O-CG 3.11Å; K32-L36 PolarHBondContact O-N 2.95Å; V33-L36 PolarHBondContact O-N 3.22Å; V34-L36 PolarHBondContact O-N 3.18Å |
| 37 | F | 93.7 | Very high | 93.8 | Very high | 176 Ų | 176 | 111.7 Ų | 111.7 | 77% | 0.772 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -98.9 | -13.3 | 177.8 | -74.2 | -70.4 | 0 | 0 | 0 | 113.6 | V33 V34 Q35 E39 | V33-F37 HydrophobicContact CG1-CD2 3.85Å; V33-F37 HydrophobicContact CG1-CE2 3.82Å; V33-F37 VanDerWaalsContact O-CD2 3.25Å; V33-F37 WeakPolarHBondContact O-CD2 3.43Å; V33-F37 PolarHBondContact O-N 3.32Å; V34-F37 PolarHBondContact O-N 3.07Å; Q35-F37 PolarHBondContact O-N 3.49Å; F37-E39 VanDerWaalsContact C-N 3.31Å |
| 38 | Q | 93.3 | Very high | 93.9 | Very high | 140 Ų | 140 | 109.1 Ų | 109.1 | 65% | 0.654 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.8 | -34.9 | 171.5 | -82 | 172.1 | -12.8 | 0 | 0 | 111.6 | V34 Q35 | V34-Q38 HydrophobicContact CG1-CG 4.34Å; V34-Q38 VanDerWaalsContact O-CG 3.27Å; V34-Q38 WeakPolarHBondContact O-CG 3.27Å; V34-Q38 PolarHBondContact O-N 3.44Å; Q35-Q38 PolarHBondContact O-N 3.45Å |
| 39 | E | 92.1 | Very high | 94.1 | Very high | 121 Ų | 121 | 110.4 Ų | 110.4 | 57% | 0.565 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -115.1 | 149.7 | 179.8 | -68.3 | -174.4 | -167.2 | 0 | 0 | 112.1 | F37 R45 | F37-E39 VanDerWaalsContact C-N 3.31Å; E39-R45 IonicContact OE2-NH2 2.97Å; E39-R45 PolarHBondContact OE2-NH2 3.3Å |
| 40 | P | 92.6 | Very high | 94.2 | Very high | 83 Ų | 83 | 106.9 Ų | 106.9 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | trans | -64.2 | 141.8 | 169.3 | 27.8 | -33.5 | 0 | 0 | 0 | 110.3 | ||||
| 41 | P | 95.3 | Very high | 94.3 | Very high | 71 Ų | 71 | 112.8 Ų | 112.8 | 46% | 0.461 | 55% | 0.547 | S | S | . | . | trans | -61.6 | 149 | 178.9 | 27.2 | -35.3 | 0 | 0 | 0 | 110.4 | A43 K44 | P41-A43 PolarHBondContact O-N 3.22Å; P41-A43 VanDerWaalsContact O-N 3.12Å; P41-K44 HydrophobicContact CG-CB 4.17Å; P41-K44 HydrophobicContact CG-CD 3.79Å; P41-K44 HydrophobicContact CG-CG 3.9Å; P41-K44 PolarHBondContact O-N 3.26Å | ||
| 42 | L | 93.7 | Very high | 94.3 | Very high | 117 Ų | 117 | 118.1 Ų | 118.1 | 61% | 0.613 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -51.6 | -41.4 | -175.9 | -175.5 | 142.2 | 0 | 0 | 0 | 112.7 | K44 R45 V48 | L42-K44 PolarHBondContact O-N 3.28Å; L42-K44 VanDerWaalsContact O-N 3.17Å; L42-R45 WeakPolarHBondContact O-CB 3.5Å; L42-R45 WeakPolarHBondContact O-CG 3.48Å; L42-R45 PolarHBondContact O-N 3.33Å; L42-V48 HydrophobicContact CD2-CG1 4.34Å; L42-V48 HydrophobicContact CD2-CG2 3.84Å; L42-V48 HydrophobicContact CG-CG2 4.2Å; L42-V48 VanDerWaalsContact O-CG2 3.32Å; L42-V48 WeakPolarHBondContact O-CG2 3.33Å |
| 43 | A | 93.8 | Very high | 94.4 | Very high | 71 Ų | 71 | 115.3 Ų | 115.3 | 59% | 0.587 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -62.5 | -22.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P41 | P41-A43 PolarHBondContact O-N 3.22Å; P41-A43 VanDerWaalsContact O-N 3.12Å |
| 44 | K | 95 | Very high | 94.5 | Very high | 156 Ų | 156 | 118 Ų | 118 | 68% | 0.678 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -90.5 | -5 | 177.5 | -72.2 | -174.1 | 179.5 | -179.5 | 0 | 113.1 | P41 L42 | P41-K44 HydrophobicContact CG-CB 4.17Å; P41-K44 HydrophobicContact CG-CD 3.79Å; P41-K44 HydrophobicContact CG-CG 3.9Å; P41-K44 PolarHBondContact O-N 3.26Å; L42-K44 PolarHBondContact O-N 3.28Å; L42-K44 VanDerWaalsContact O-N 3.17Å |
| 45 | R | 95.2 | Very high | 94.6 | Very high | 92 Ų | 92 | 121.5 Ų | 121.5 | 35% | 0.347 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -70.4 | 135.2 | 177.1 | -61.4 | -179 | -177.9 | -166.6 | -4.1 | 108.7 | E39 L42 E47 V48 Y49 | E39-R45 IonicContact OE2-NH2 2.97Å; E39-R45 PolarHBondContact OE2-NH2 3.3Å; L42-R45 WeakPolarHBondContact O-CB 3.5Å; L42-R45 WeakPolarHBondContact O-CG 3.48Å; L42-R45 PolarHBondContact O-N 3.33Å; R45-E47 PolarHBondContact O-N 3.05Å; R45-V48 HydrophobicContact CB-CG2 4.23Å; R45-V48 WeakPolarHBondContact O-CB 3.32Å; R45-V48 PolarHBondContact O-N 2.94Å; R45-Y49 VanDerWaalsContact O-CD1 3.27Å; R45-Y49 WeakPolarHBondContact O-CD1 3.19Å; R45-Y49 PolarHBondContact O-N 3.17Å |
| 46 | K | 94.2 | Very high | 94.8 | Very high | 145 Ų | 145 | 124.7 Ų | 124.7 | 63% | 0.63 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -54.7 | -40.8 | -179 | -62.4 | -161.1 | 169.2 | -177.7 | 0 | 112.1 | V48 Y49 E50 | K46-V48 PolarHBondContact O-N 2.97Å; K46-Y49 VanDerWaalsContact CA-CE1 3.48Å; K46-Y49 HydrophobicContact CB-CE1 4.3Å; K46-Y49 HydrophobicContact CG-CE1 4.08Å; K46-Y49 WeakPolarHBondContact CG-OH 3.31Å; K46-Y49 PolarHBondContact O-N 2.79Å; K46-E50 WeakPolarHBondContact O-CA 3.27Å; K46-E50 WeakPolarHBondContact O-CB 3.45Å; K46-E50 PolarHBondContact O-N 3.01Å |
| 47 | E | 94.6 | Very high | 94.9 | Very high | 150 Ų | 150 | 123.9 Ų | 123.9 | 70% | 0.701 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -52.6 | -29.8 | 175.7 | -62.2 | 166.6 | -166.7 | 0 | 0 | 113.3 | R45 | R45-E47 PolarHBondContact O-N 3.05Å |
| 48 | V | 95.7 | Very high | 95 | Very high | 67 Ų | 67 | 121.9 Ų | 121.9 | 41% | 0.406 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -90.2 | -54.4 | -176.2 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | L42 R45 K46 | L42-V48 HydrophobicContact CD2-CG1 4.34Å; L42-V48 HydrophobicContact CD2-CG2 3.84Å; L42-V48 HydrophobicContact CG-CG2 4.2Å; L42-V48 VanDerWaalsContact O-CG2 3.32Å; L42-V48 WeakPolarHBondContact O-CG2 3.33Å; R45-V48 HydrophobicContact CB-CG2 4.23Å; R45-V48 WeakPolarHBondContact O-CB 3.32Å; R45-V48 PolarHBondContact O-N 2.94Å; K46-V48 PolarHBondContact O-N 2.97Å |
| 49 | Y | 94.4 | Very high | 95.2 | Very high | 137 Ų | 137 | 122.4 Ų | 122.4 | 54% | 0.537 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -80.7 | -26.4 | -174.3 | 74.4 | -103.7 | 0 | 0 | 0 | 113.3 | R45 K46 W51 | R45-Y49 VanDerWaalsContact O-CD1 3.27Å; R45-Y49 WeakPolarHBondContact O-CD1 3.19Å; R45-Y49 PolarHBondContact O-N 3.17Å; K46-Y49 VanDerWaalsContact CA-CE1 3.48Å; K46-Y49 HydrophobicContact CB-CE1 4.3Å; K46-Y49 HydrophobicContact CG-CE1 4.08Å; K46-Y49 WeakPolarHBondContact CG-OH 3.31Å; K46-Y49 PolarHBondContact O-N 2.79Å; Y49-W51 VanDerWaalsContact C-N 3.31Å |
| 50 | E | 95.6 | Very high | 95.5 | Very high | 108 Ų | 108 | 118.5 Ų | 118.5 | 51% | 0.505 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.6 | 14.1 | -179.1 | -153.2 | 172.6 | 165.2 | 0 | 0 | 111.9 | K46 Y52 | K46-E50 WeakPolarHBondContact O-CA 3.27Å; K46-E50 WeakPolarHBondContact O-CB 3.45Å; K46-E50 PolarHBondContact O-N 3.01Å; E50-Y52 VanDerWaalsContact C-N 3.29Å; E50-Y52 PolarHBondContact O-N 3.18Å |
| 51 | W | 96.4 | Very high | 95.7 | Very high | 183 Ų | 183 | 119 Ų | 119 | 69% | 0.693 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -55.2 | -42.2 | -176.3 | -178.9 | -89.9 | 0 | 0 | 0 | 113.3 | Y49 | Y49-W51 VanDerWaalsContact C-N 3.31Š|
| 52 | Y | 95.9 | Very high | 95.7 | Very high | 175 Ų | 175 | 117.6 Ų | 117.6 | 69% | 0.686 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -99 | 129.2 | 176.8 | -66.7 | -71.2 | 0 | 0 | 0 | 110.8 | E50 | E50-Y52 VanDerWaalsContact C-N 3.29Å; E50-Y52 PolarHBondContact O-N 3.18Å |
| 53 | P | 95.6 | Very high | 95.9 | Very high | 72 Ų | 72 | 115.6 Ų | 115.6 | 47% | 0.468 | 54% | 0.539 | S | S | . | . | trans | -64.4 | 159.3 | 174 | 24.4 | -30.7 | 0 | 0 | 0 | 111.1 | H55 Y58 | P53-H55 VanDerWaalsContact C-N 3.28Å; P53-H55 PolarHBondContact O-N 3.29Å; P53-H55 PolarHBondContact O-ND1 3.15Å; P53-Y58 HydrophobicContact CB-CE2 3.97Å | ||
| 54 | H | 95.9 | Very high | 96.1 | Very high | 135 Ų | 135 | 118.7 Ų | 118.7 | 63% | 0.625 | 54% | 0.539 | S | S | * | . | trans | -74.1 | 74.4 | -179.4 | -68.9 | -70.4 | 0 | 0 | 0 | 112.9 | K56 V57 Y58 | H54-K56 VanDerWaalsContact C-N 3.26Å; H54-K56 PolarHBondContact O-N 3.27Å; H54-K56 VanDerWaalsContact O-N 3.15Å; H54-V57 HydrophobicContact CB-CB 4.13Å; H54-V57 HydrophobicContact CB-CG2 3.88Å; H54-V57 WeakPolarHBondContact O-CB 3.46Å; H54-V57 PolarHBondContact O-N 3.19Å; H54-Y58 WeakPolarHBondContact O-CD2 3.46Å; H54-Y58 PolarHBondContact O-N 3.45Å | ||
| 55 | H | 96.7 | Very high | 96.2 | Very high | 123 Ų | 123 | 113.9 Ų | 113.9 | 57% | 0.569 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -54.2 | -38.2 | -175.2 | -71.4 | 72.8 | 0 | 0 | 0 | 113.7 | P53 V57 Y58 Y59 | P53-H55 VanDerWaalsContact C-N 3.28Å; P53-H55 PolarHBondContact O-N 3.29Å; P53-H55 PolarHBondContact O-ND1 3.15Å; H55-V57 VanDerWaalsContact C-N 3.27Å; H55-V57 PolarHBondContact O-N 2.8Å; H55-Y58 PolarHBondContact O-N 3.02Å; H55-Y59 VanDerWaalsContact O-CB 3.27Å; H55-Y59 WeakPolarHBondContact O-CB 3.43Å; H55-Y59 PolarHBondContact O-N 3.48Å |
| 56 | K | 96.8 | Very high | 96.3 | Very high | 187 Ų | 187 | 117.2 Ų | 117.2 | 81% | 0.813 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.2 | -37.2 | 177.7 | -66.9 | -176.9 | 179.2 | 179.8 | 0 | 112.3 | H54 A60 | H54-K56 VanDerWaalsContact C-N 3.26Å; H54-K56 PolarHBondContact O-N 3.27Å; H54-K56 VanDerWaalsContact O-N 3.15Å; K56-A60 WeakPolarHBondContact O-CB 3.39Å; K56-A60 PolarHBondContact O-N 3.15Å |
| 57 | V | 97.1 | Very high | 96.4 | Very high | 92 Ų | 92 | 117.8 Ų | 117.8 | 56% | 0.558 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.1 | -49.7 | 179.1 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | H54 H55 Y59 A60 M61 | H54-V57 HydrophobicContact CB-CB 4.13Å; H54-V57 HydrophobicContact CB-CG2 3.88Å; H54-V57 WeakPolarHBondContact O-CB 3.46Å; H54-V57 PolarHBondContact O-N 3.19Å; H55-V57 VanDerWaalsContact C-N 3.27Å; H55-V57 PolarHBondContact O-N 2.8Å; V57-Y59 PolarHBondContact O-N 3.48Å; V57-A60 PolarHBondContact O-N 3.21Å; V57-M61 WeakPolarHBondContact O-CB 3.45Å; V57-M61 PolarHBondContact O-N 2.9Å |
| 58 | Y | 96.4 | Very high | 96.6 | Very high | 134 Ų | 134 | 116.4 Ų | 116.4 | 53% | 0.525 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 178.2 | -67.4 | -67.6 | 0 | 0 | 0 | 112 | P53 H54 H55 M61 T62 | P53-Y58 HydrophobicContact CB-CE2 3.97Å; H54-Y58 WeakPolarHBondContact O-CD2 3.46Å; H54-Y58 PolarHBondContact O-N 3.45Å; H55-Y58 PolarHBondContact O-N 3.02Å; Y58-M61 HydrophobicContact CD1-CE 4.13Å; Y58-M61 PolarHBondContact O-N 2.98Å; Y58-T62 WeakPolarHBondContact O-CG2 3.37Å; Y58-T62 PolarHBondContact O-N 3.08Å; Y58-T62 PolarHBondContact O-OG1 3.12Å |
| 59 | Y | 96.8 | Very high | 96.6 | Very high | 151 Ų | 151 | 116.5 Ų | 116.5 | 59% | 0.592 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.3 | -50.1 | 178.1 | 175.5 | -97 | 0 | 0 | 0 | 112.2 | H55 V57 M61 T62 Q63 | H55-Y59 VanDerWaalsContact O-CB 3.27Å; H55-Y59 WeakPolarHBondContact O-CB 3.43Å; H55-Y59 PolarHBondContact O-N 3.48Å; V57-Y59 PolarHBondContact O-N 3.48Å; Y59-M61 VanDerWaalsContact C-N 3.26Å; Y59-M61 PolarHBondContact O-N 2.97Å; Y59-T62 PolarHBondContact O-N 3.2Å; Y59-T62 PolarHBondContact O-OG1 3.42Å; Y59-T62 VanDerWaalsContact O-OG1 3.12Å; Y59-Q63 VanDerWaalsContact O-CB 3.24Å; Y59-Q63 WeakPolarHBondContact O-CB 3.45Å; Y59-Q63 PolarHBondContact O-N 3.14Å |
| 60 | A | 97.4 | Very high | 96.7 | Very high | 39 Ų | 39 | 116.1 Ų | 116.1 | 32% | 0.322 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.6 | -36 | 180 | 0 | 0 | 0 | 0 | 0 | 111.6 | K56 V57 K64 | K56-A60 WeakPolarHBondContact O-CB 3.39Å; K56-A60 PolarHBondContact O-N 3.15Å; V57-A60 PolarHBondContact O-N 3.21Å; A60-K64 VanDerWaalsContact O-CG 3.3Å; A60-K64 WeakPolarHBondContact O-CG 3.32Å; A60-K64 PolarHBondContact O-N 3.49Å; A60-K64 VanDerWaalsContact O-N 3.13Å |
| 61 | M | 97.3 | Very high | 96.5 | Very high | 93 Ų | 93 | 115.8 Ų | 115.8 | 46% | 0.458 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.7 | -52.5 | 176.5 | -178.6 | -178.4 | 70.8 | 0 | 0 | 111.4 | V57 Y58 Y59 Q63 K64 L65 | V57-M61 WeakPolarHBondContact O-CB 3.45Å; V57-M61 PolarHBondContact O-N 2.9Å; Y58-M61 HydrophobicContact CD1-CE 4.13Å; Y58-M61 PolarHBondContact O-N 2.98Å; Y59-M61 VanDerWaalsContact C-N 3.26Å; Y59-M61 PolarHBondContact O-N 2.97Å; M61-Q63 VanDerWaalsContact C-N 3.31Å; M61-Q63 PolarHBondContact O-N 3.09Å; M61-K64 PolarHBondContact O-N 3.4Å; M61-L65 HydrophobicContact CG-CD1 4.14Å; M61-L65 WeakPolarHBondContact O-CG 3.36Å; M61-L65 PolarHBondContact O-N 3.47Å |
| 62 | T | 96.4 | Very high | 95.9 | Very high | 42 Ų | 42 | 120.2 Ų | 120.2 | 26% | 0.258 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66 | -34.8 | -179.1 | 54.4 | 0 | 0 | 0 | 0 | 112.1 | Y58 Y59 L65 R66 F71 | Y58-T62 WeakPolarHBondContact O-CG2 3.37Å; Y58-T62 PolarHBondContact O-N 3.08Å; Y58-T62 PolarHBondContact O-OG1 3.12Å; Y59-T62 PolarHBondContact O-N 3.2Å; Y59-T62 PolarHBondContact O-OG1 3.42Å; Y59-T62 VanDerWaalsContact O-OG1 3.12Å; T62-L65 PolarHBondContact O-N 2.9Å; T62-R66 WeakPolarHBondContact O-CB 3.46Å; T62-R66 PolarHBondContact O-N 3.28Å; T62-F71 HydrophobicContact CG2-CD1 4.33Å; T62-F71 HydrophobicContact CG2-CE1 3.9Å; T62-F71 HydrophobicContact CG2-CE2 4.47Å; T62-F71 HydrophobicContact CG2-CZ 3.98Å |
| 63 | Q | 96.9 | Very high | 95.9 | Very high | 75 Ų | 75 | 117.5 Ų | 117.5 | 35% | 0.35 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62 | -45.5 | 173.6 | -172.4 | -176.4 | 13.5 | 0 | 0 | 111.9 | Y59 M61 R66 F67 | Y59-Q63 VanDerWaalsContact O-CB 3.24Å; Y59-Q63 WeakPolarHBondContact O-CB 3.45Å; Y59-Q63 PolarHBondContact O-N 3.14Å; M61-Q63 VanDerWaalsContact C-N 3.31Å; M61-Q63 PolarHBondContact O-N 3.09Å; Q63-R66 WeakPolarHBondContact O-CB 3.2Å; Q63-R66 PolarHBondContact O-N 3.15Å; Q63-F67 HydrophobicContact CG-CD2 4.31Å; Q63-F67 HydrophobicContact CG-CE2 3.65Å; Q63-F67 HydrophobicContact CG-CZ 3.93Å; Q63-F67 WeakPolarHBondContact O-CD2 3.49Å; Q63-F67 WeakPolarHBondContact O-CG 3.48Å; Q63-F67 PolarHBondContact O-N 3.06Å; Q63-F67 VanDerWaalsContact O-N 3.07Å |
| 64 | K | 97.4 | Very high | 95.9 | Very high | 137 Ų | 137 | 119.8 Ų | 119.8 | 60% | 0.596 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.6 | -44.3 | 176.2 | -75.2 | 177.7 | -177.3 | -176.2 | 0 | 111.8 | A60 M61 R66 F67 M68 | A60-K64 VanDerWaalsContact O-CG 3.3Å; A60-K64 WeakPolarHBondContact O-CG 3.32Å; A60-K64 PolarHBondContact O-N 3.49Å; A60-K64 VanDerWaalsContact O-N 3.13Å; M61-K64 PolarHBondContact O-N 3.4Å; K64-R66 PolarHBondContact O-N 3.31Å; K64-F67 PolarHBondContact O-N 3.41Å; K64-M68 HydrophobicContact CB-CE 3.96Å; K64-M68 VanDerWaalsContact O-CE 3.3Å; K64-M68 WeakPolarHBondContact O-CE 3.47Å; K64-M68 WeakPolarHBondContact O-CG 3.45Å; K64-M68 PolarHBondContact O-N 3.15Å |
| 65 | L | 97.6 | Very high | 95.9 | Very high | 54 Ų | 54 | 119 Ų | 119 | 28% | 0.283 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.2 | -35.3 | 176.4 | -68.9 | 171.4 | 0 | 0 | 0 | 111.9 | M61 T62 M68 G69 L70 F71 | M61-L65 HydrophobicContact CG-CD1 4.14Å; M61-L65 WeakPolarHBondContact O-CG 3.36Å; M61-L65 PolarHBondContact O-N 3.47Å; T62-L65 PolarHBondContact O-N 2.9Å; L65-M68 HydrophobicContact CD2-CE 4.22Å; L65-M68 CarbonylContact O-C 3.6Å; L65-M68 PolarHBondContact O-N 3.33Å; L65-G69 PolarHBondContact O-N 2.99Å; L65-L70 HydrophobicContact CB-CB 4.48Å; L65-L70 HydrophobicContact CD2-CB 4.24Å; L65-L70 HydrophobicContact CD2-CD1 3.98Å; L65-L70 PolarHBondContact O-N 3.19Å; L65-F71 HydrophobicContact CB-CB 3.56Å; L65-F71 HydrophobicContact CB-CG 4.45Å; L65-F71 PolarHBondContact O-N 2.93Å |
| 66 | R | 97.1 | Very high | 95.9 | Very high | 162 Ų | 162 | 118.8 Ų | 118.8 | 61% | 0.611 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.2 | -43 | 174 | -175.2 | 176.3 | 177.7 | -177.8 | 0.6 | 112.6 | T62 Q63 K64 M68 G69 F71 | T62-R66 WeakPolarHBondContact O-CB 3.46Å; T62-R66 PolarHBondContact O-N 3.28Å; Q63-R66 WeakPolarHBondContact O-CB 3.2Å; Q63-R66 PolarHBondContact O-N 3.15Å; K64-R66 PolarHBondContact O-N 3.31Å; R66-M68 PolarHBondContact O-N 2.89Å; R66-G69 PolarHBondContact O-N 3.36Å; R66-F71 VanDerWaalsContact CA-O 3.24Å; R66-F71 WeakPolarHBondContact CA-O 3.44Å |
| 67 | F | 96.8 | Very high | 95.8 | Very high | 158 Ų | 158 | 114.5 Ų | 114.5 | 69% | 0.693 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.1 | -28.8 | 174.9 | -64.5 | -37.3 | 0 | 0 | 0 | 113.1 | Q63 K64 G69 | Q63-F67 HydrophobicContact CG-CD2 4.31Å; Q63-F67 HydrophobicContact CG-CE2 3.65Å; Q63-F67 HydrophobicContact CG-CZ 3.93Å; Q63-F67 WeakPolarHBondContact O-CD2 3.49Å; Q63-F67 WeakPolarHBondContact O-CG 3.48Å; Q63-F67 PolarHBondContact O-N 3.06Å; Q63-F67 VanDerWaalsContact O-N 3.07Å; K64-F67 PolarHBondContact O-N 3.41Å; F67-G69 VanDerWaalsContact C-N 3.29Å |
| 68 | M | 97.7 | Very high | 95.8 | Very high | 121 Ų | 121 | 116 Ų | 116 | 60% | 0.596 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -4.7 | 173.4 | -68.7 | -177.6 | -92.7 | 0 | 0 | 113.7 | K64 L65 R66 L70 | K64-M68 HydrophobicContact CB-CE 3.96Å; K64-M68 VanDerWaalsContact O-CE 3.3Å; K64-M68 WeakPolarHBondContact O-CE 3.47Å; K64-M68 WeakPolarHBondContact O-CG 3.45Å; K64-M68 PolarHBondContact O-N 3.15Å; L65-M68 HydrophobicContact CD2-CE 4.22Å; L65-M68 CarbonylContact O-C 3.6Å; L65-M68 PolarHBondContact O-N 3.33Å; R66-M68 PolarHBondContact O-N 2.89Å; M68-L70 VanDerWaalsContact C-N 3.28Å; M68-L70 HydrophobicContact CB-CD1 4.1Å; M68-L70 HydrophobicContact CB-CG 4.13Å; M68-L70 PolarHBondContact O-N 3.27Å |
| 69 | G | 96.4 | Very high | 95.7 | Very high | 68 Ų | 68 | 114.7 Ų | 114.7 | 70% | 0.701 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 10.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L65 R66 F67 | L65-G69 PolarHBondContact O-N 2.99Å; R66-G69 PolarHBondContact O-N 3.36Å; F67-G69 VanDerWaalsContact C-N 3.29Å |
| 70 | L | 96 | Very high | 95.6 | Very high | 130 Ų | 130 | 111.9 Ų | 111.9 | 68% | 0.681 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -90.6 | -15.2 | -177.8 | -61.8 | 173.6 | 0 | 0 | 0 | 113.2 | L65 M68 | L65-L70 HydrophobicContact CB-CB 4.48Å; L65-L70 HydrophobicContact CD2-CB 4.24Å; L65-L70 HydrophobicContact CD2-CD1 3.98Å; L65-L70 PolarHBondContact O-N 3.19Å; M68-L70 VanDerWaalsContact C-N 3.28Å; M68-L70 HydrophobicContact CB-CD1 4.1Å; M68-L70 HydrophobicContact CB-CG 4.13Å; M68-L70 PolarHBondContact O-N 3.27Å |
| 71 | F | 92.1 | Very high | 95.5 | Very high | 100 Ų | 100 | 118 Ų | 118 | 44% | 0.439 | 56% | 0.559 | S | S | . | * | trans | -139.1 | 137.8 | -177.2 | -176.1 | -102.8 | 0 | 0 | 0 | 109.7 | T62 L65 R66 | T62-F71 HydrophobicContact CG2-CD1 4.33Å; T62-F71 HydrophobicContact CG2-CE1 3.9Å; T62-F71 HydrophobicContact CG2-CE2 4.47Å; T62-F71 HydrophobicContact CG2-CZ 3.98Å; L65-F71 HydrophobicContact CB-CB 3.56Å; L65-F71 HydrophobicContact CB-CG 4.45Å; L65-F71 PolarHBondContact O-N 2.93Å; R66-F71 VanDerWaalsContact CA-O 3.24Å; R66-F71 WeakPolarHBondContact CA-O 3.44Å | ||
| 72 | R | 84.1 | Confident | 95.3 | Very high | 276 Ų | 276 | 120.3 Ų | 120.3 | 100% | 1.042 | 57% | 0.568 | S | S | * | * | trans | -131.4 | 0 | -179.7 | -176.7 | 176.3 | -111.5 | -111.3 | 2.7 | 111 |
Retrieved 72 of 72 residues in 89.6 ms
(Link to these results)