| 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 | 37.1 | Very low | 43.8 | Very low | 245 Ų | 245 | 114.8 Ų | 114.8 | 100% | 1.207 | 74% | 0.744 | S | S | * | * | 0 | 101.5 | 0 | -75.6 | 149.3 | 68.9 | 0 | 0 | 108.6 | G3 | M1-G3 PolarHBondContact O-N 3.11Š| |||
| 2 | S | 41.3 | Very low | 44.4 | Very low | 128 Ų | 128 | 110.7 Ų | 110.7 | 90% | 0.895 | 72% | 0.715 | S | S | * | * | trans | -83.7 | 100.1 | 175 | -152.3 | 0 | 0 | 0 | 0 | 107 | G4 | S2-G4 PolarHBondContact O-N 3.03Å; S2-G4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | G | 40.6 | Very low | 45.1 | Very low | 73 Ų | 73 | 107.9 Ų | 107.9 | 75% | 0.753 | 70% | 0.695 | S | S | * | * | trans | -58.6 | 114.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | M1 G5 | M1-G3 PolarHBondContact O-N 3.11Å; G3-G5 PolarHBondContact O-N 2.78Å | ||
| 4 | G | 38.4 | Very low | 45.5 | Very low | 69 Ų | 69 | 108.6 Ų | 108.6 | 71% | 0.711 | 68% | 0.682 | S | S | * | * | trans | -52.6 | 113 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109 | S2 V6 | S2-G4 PolarHBondContact O-N 3.03Å; S2-G4 VanDerWaalsContact O-N 3.11Å; G4-V6 PolarHBondContact O-N 2.66Å | ||
| 5 | G | 42.7 | Very low | 46.4 | Very low | 72 Ų | 72 | 105.1 Ų | 105.1 | 74% | 0.742 | 66% | 0.663 | S | S | * | * | trans | -55.4 | 114.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | G3 S7 | G3-G5 PolarHBondContact O-N 2.78Å; G5-S7 VanDerWaalsContact C-N 3.32Å; G5-S7 PolarHBondContact O-N 3.04Å | ||
| 6 | V | 44.9 | Very low | 47.1 | Very low | 126 Ų | 126 | 109.4 Ų | 109.4 | 76% | 0.764 | 66% | 0.662 | S | S | * | * | trans | -51.9 | 104.4 | 173.3 | 177.5 | 0 | 0 | 0 | 0 | 105.6 | G4 I8 | G4-V6 PolarHBondContact O-N 2.66Å; V6-I8 HydrophobicContact CG1-CG1 3.93Å; V6-I8 PolarHBondContact O-N 2.66Å | ||
| 7 | S | 47.7 | Very low | 47.7 | Very low | 108 Ų | 108 | 106.9 Ų | 106.9 | 76% | 0.755 | 64% | 0.643 | S | S | * | * | trans | -65.9 | 84.1 | 167.3 | 52.8 | 0 | 0 | 0 | 0 | 104.9 | G5 D9 | G5-S7 VanDerWaalsContact C-N 3.32Å; G5-S7 PolarHBondContact O-N 3.04Å; S7-D9 PolarHBondContact O-N 3.13Å | ||
| 8 | I | 46.4 | Very low | 48.3 | Very low | 121 Ų | 121 | 105.7 Ų | 105.7 | 62% | 0.621 | 64% | 0.636 | S | S | * | * | trans | -59.5 | 102.6 | 167.1 | -60.8 | 174.6 | 0 | 0 | 0 | 103.1 | V6 K10 V13 | V6-I8 HydrophobicContact CG1-CG1 3.93Å; V6-I8 PolarHBondContact O-N 2.66Å; I8-K10 PolarHBondContact O-N 3.09Å; I8-V13 HydrophobicContact CG2-CG2 4.09Å | ||
| 9 | D | 44.5 | Very low | 49.2 | Very low | 99 Ų | 99 | 108.8 Ų | 108.8 | 53% | 0.529 | 64% | 0.636 | S | S | . | * | trans | -50.2 | 109 | -173.1 | -174.1 | -1.1 | 0 | 0 | 0 | 107.7 | S7 A11 V12 | S7-D9 PolarHBondContact O-N 3.13Å; D9-A11 PolarHBondContact O-N 2.84Å; D9-A11 PolarHBondContact OD1-N 2.84Å; D9-V12 HydrophobicContact CB-CG2 3.85Å; D9-V12 WeakPolarHBondContact O-CB 3.43Å; D9-V12 PolarHBondContact O-N 3.05Å | ||
| 10 | K | 47.3 | Very low | 49.7 | Very low | 161 Ų | 161 | 108.5 Ų | 108.5 | 70% | 0.7 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -53.4 | -32.5 | -173.7 | -69.7 | -179.8 | 178.1 | -177.5 | 0 | 109.7 | I8 V12 V13 F14 | I8-K10 PolarHBondContact O-N 3.09Å; K10-V12 VanDerWaalsContact C-N 3.28Å; K10-V12 PolarHBondContact O-N 2.74Å; K10-V13 PolarHBondContact O-N 2.8Å; K10-F14 VanDerWaalsContact O-CD2 3.22Å; K10-F14 WeakPolarHBondContact O-CD2 2.87Å; K10-F14 PolarHBondContact O-N 3.06Å |
| 11 | A | 50.9 | Low | 50 | Low | 61 Ų | 61 | 108 Ų | 108 | 50% | 0.504 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -59.5 | -34.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D9 S15 | D9-A11 PolarHBondContact O-N 2.84Å; D9-A11 PolarHBondContact OD1-N 2.84Å; A11-S15 WeakPolarHBondContact O-CB 3.25Å; A11-S15 PolarHBondContact O-N 2.81Å |
| 12 | V | 51.5 | Low | 50.9 | Low | 65 Ų | 65 | 102.7 Ų | 102.7 | 39% | 0.394 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -71.1 | -39.6 | -177.1 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | D9 K10 S15 R16 | D9-V12 HydrophobicContact CB-CG2 3.85Å; D9-V12 WeakPolarHBondContact O-CB 3.43Å; D9-V12 PolarHBondContact O-N 3.05Å; K10-V12 VanDerWaalsContact C-N 3.28Å; K10-V12 PolarHBondContact O-N 2.74Å; V12-S15 PolarHBondContact O-N 2.88Å; V12-S15 PolarHBondContact O-OG 3.28Å; V12-R16 PolarHBondContact O-N 3.02Å |
| 13 | V | 52.8 | Low | 51.6 | Low | 75 Ų | 75 | 105.1 Ų | 105.1 | 46% | 0.455 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.1 | -46.8 | 179.7 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | I8 K10 S15 R16 I17 | I8-V13 HydrophobicContact CG2-CG2 4.09Å; K10-V13 PolarHBondContact O-N 2.8Å; V13-S15 VanDerWaalsContact C-N 3.26Å; V13-S15 PolarHBondContact O-N 2.9Å; V13-R16 PolarHBondContact O-N 2.81Å; V13-I17 HydrophobicContact CG1-CD1 3.99Å; V13-I17 WeakPolarHBondContact O-CG1 3.34Å; V13-I17 PolarHBondContact O-N 3.31Å |
| 14 | F | 51.7 | Low | 52.2 | Low | 118 Ų | 118 | 107.3 Ų | 107.3 | 52% | 0.518 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -59.3 | -39 | 171.9 | -76.1 | -74.3 | 0 | 0 | 0 | 111.1 | K10 R16 I17 V18 F116 | K10-F14 VanDerWaalsContact O-CD2 3.22Å; K10-F14 WeakPolarHBondContact O-CD2 2.87Å; K10-F14 PolarHBondContact O-N 3.06Å; F14-R16 VanDerWaalsContact C-N 3.33Å; F14-R16 PolarHBondContact O-N 3.33Å; F14-I17 PolarHBondContact O-N 2.78Å; F14-V18 WeakPolarHBondContact O-CB 3.46Å; F14-V18 WeakPolarHBondContact O-CG2 3.34Å; F14-V18 PolarHBondContact O-N 3.04Å; F14-F116 HydrophobicContact CE1-CZ 4.13Å |
| 15 | S | 58.5 | Low | 52.8 | Low | 56 Ų | 56 | 108 Ų | 108 | 39% | 0.392 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.1 | -38.1 | 177.5 | 83.1 | 0 | 0 | 0 | 0 | 112.7 | A11 V12 V13 R19 | A11-S15 WeakPolarHBondContact O-CB 3.25Å; A11-S15 PolarHBondContact O-N 2.81Å; V12-S15 PolarHBondContact O-N 2.88Å; V12-S15 PolarHBondContact O-OG 3.28Å; V13-S15 VanDerWaalsContact C-N 3.26Å; V13-S15 PolarHBondContact O-N 2.9Å; S15-R19 WeakPolarHBondContact O-CB 2.99Å; S15-R19 PolarHBondContact O-N 2.81Å |
| 16 | R | 58 | Low | 53 | Low | 174 Ų | 174 | 111.2 Ų | 111.2 | 66% | 0.657 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -71.2 | -43.6 | 178.3 | -74.2 | -172.1 | -178.5 | -165 | 1.7 | 111.1 | V12 V13 F14 R19 L20 | V12-R16 PolarHBondContact O-N 3.02Å; V13-R16 PolarHBondContact O-N 2.81Å; F14-R16 VanDerWaalsContact C-N 3.33Å; F14-R16 PolarHBondContact O-N 3.33Å; R16-R19 PolarHBondContact O-N 3.45Å; R16-L20 WeakPolarHBondContact O-CB 3.12Å; R16-L20 VanDerWaalsContact O-CG 3.24Å; R16-L20 WeakPolarHBondContact O-CG 3.26Å; R16-L20 PolarHBondContact O-N 3.24Å |
| 17 | I | 57.2 | Low | 53.2 | Low | 67 Ų | 67 | 109 Ų | 109 | 34% | 0.344 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.7 | -46 | 179.5 | -63 | 170.1 | 0 | 0 | 0 | 110.4 | V13 F14 R19 L20 L21 | V13-I17 HydrophobicContact CG1-CD1 3.99Å; V13-I17 WeakPolarHBondContact O-CG1 3.34Å; V13-I17 PolarHBondContact O-N 3.31Å; F14-I17 PolarHBondContact O-N 2.78Å; I17-R19 VanDerWaalsContact C-N 3.32Å; I17-R19 PolarHBondContact O-N 3.49Å; I17-L20 PolarHBondContact O-N 3.35Å; I17-L21 HydrophobicContact CG2-CD1 3.87Å; I17-L21 WeakPolarHBondContact O-CB 3.49Å; I17-L21 WeakPolarHBondContact O-CG 3.39Å; I17-L21 PolarHBondContact O-N 3.42Å |
| 18 | V | 58.5 | Low | 53.3 | Low | 85 Ų | 85 | 106 Ų | 106 | 52% | 0.515 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 174.5 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | F14 L21 K22 | F14-V18 WeakPolarHBondContact O-CB 3.46Å; F14-V18 WeakPolarHBondContact O-CG2 3.34Å; F14-V18 PolarHBondContact O-N 3.04Å; V18-L21 PolarHBondContact O-N 3.32Å; V18-K22 WeakPolarHBondContact O-CB 3.27Å; V18-K22 PolarHBondContact O-N 3.29Å |
| 19 | R | 64.2 | Low | 53.6 | Low | 165 Ų | 165 | 104.2 Ų | 104.2 | 62% | 0.623 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.5 | -36.3 | 174.4 | -177.2 | -179.4 | -85.2 | 170.6 | -6.3 | 112 | S15 R16 I17 R23 | S15-R19 WeakPolarHBondContact O-CB 2.99Å; S15-R19 PolarHBondContact O-N 2.81Å; R16-R19 PolarHBondContact O-N 3.45Å; I17-R19 VanDerWaalsContact C-N 3.32Å; I17-R19 PolarHBondContact O-N 3.49Å; R19-R23 WeakPolarHBondContact O-CG 3.42Å; R19-R23 PolarHBondContact O-N 2.83Å |
| 20 | L | 59 | Low | 53.9 | Low | 102 Ų | 102 | 104 Ų | 104 | 53% | 0.534 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.2 | -45 | 173.5 | -75.1 | 168.9 | 0 | 0 | 0 | 111.3 | R16 I17 K22 R23 L24 | R16-L20 WeakPolarHBondContact O-CB 3.12Å; R16-L20 VanDerWaalsContact O-CG 3.24Å; R16-L20 WeakPolarHBondContact O-CG 3.26Å; R16-L20 PolarHBondContact O-N 3.24Å; I17-L20 PolarHBondContact O-N 3.35Å; L20-K22 VanDerWaalsContact C-N 3.33Å; L20-K22 PolarHBondContact O-N 3.42Å; L20-R23 CarbonylContact O-C 3.58Å; L20-R23 WeakPolarHBondContact O-CA 3.2Å; L20-R23 WeakPolarHBondContact O-CB 3.29Å; L20-R23 PolarHBondContact O-N 3.39Å; L20-L24 PolarHBondContact O-N 3.5Å |
| 21 | L | 58 | Low | 54.3 | Low | 97 Ų | 97 | 105.1 Ų | 105.1 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 173.8 | -79.7 | 159.5 | 0 | 0 | 0 | 111.3 | I17 V18 R23 L24 T25 | I17-L21 HydrophobicContact CG2-CD1 3.87Å; I17-L21 WeakPolarHBondContact O-CB 3.49Å; I17-L21 WeakPolarHBondContact O-CG 3.39Å; I17-L21 PolarHBondContact O-N 3.42Å; V18-L21 PolarHBondContact O-N 3.32Å; L21-R23 VanDerWaalsContact C-N 3.28Å; L21-R23 PolarHBondContact O-N 3.38Å; L21-L24 PolarHBondContact O-N 2.83Å; L21-L24 VanDerWaalsContact O-N 3.16Å; L21-T25 PolarHBondContact O-N 2.79Å; L21-T25 PolarHBondContact O-OG1 2.97Å |
| 22 | K | 54.2 | Low | 54.3 | Low | 135 Ų | 135 | 110 Ų | 110 | 59% | 0.587 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.4 | -33.8 | 173.4 | -157.9 | 173.3 | -170.7 | 176.1 | 0 | 111.1 | V18 L20 T25 F26 | V18-K22 WeakPolarHBondContact O-CB 3.27Å; V18-K22 PolarHBondContact O-N 3.29Å; L20-K22 VanDerWaalsContact C-N 3.33Å; L20-K22 PolarHBondContact O-N 3.42Å; K22-T25 WeakPolarHBondContact CA-OG1 3.43Å; K22-F26 HydrophobicContact CG-CD2 3.95Å; K22-F26 HydrophobicContact CG-CE2 3.83Å; K22-F26 WeakPolarHBondContact O-CB 3.21Å; K22-F26 WeakPolarHBondContact O-CD2 3.4Å; K22-F26 PolarHBondContact O-N 2.9Å |
| 23 | R | 56.9 | Low | 54.2 | Low | 178 Ų | 178 | 110.6 Ų | 110.6 | 67% | 0.672 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.7 | -37.8 | 172 | -77.3 | 178.2 | 177.5 | -166.6 | -1.2 | 112.5 | R19 L20 L21 | R19-R23 WeakPolarHBondContact O-CG 3.42Å; R19-R23 PolarHBondContact O-N 2.83Å; L20-R23 CarbonylContact O-C 3.58Å; L20-R23 WeakPolarHBondContact O-CA 3.2Å; L20-R23 WeakPolarHBondContact O-CB 3.29Å; L20-R23 PolarHBondContact O-N 3.39Å; L21-R23 VanDerWaalsContact C-N 3.28Å; L21-R23 PolarHBondContact O-N 3.38Å |
| 24 | L | 52.5 | Low | 54.1 | Low | 120 Ų | 120 | 116 Ų | 116 | 63% | 0.628 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -73 | -43.1 | 179.9 | -74.1 | 162.5 | 0 | 0 | 0 | 112.6 | L20 L21 F26 V27 | L20-L24 PolarHBondContact O-N 3.5Å; L21-L24 PolarHBondContact O-N 2.83Å; L21-L24 VanDerWaalsContact O-N 3.16Å; L24-F26 VanDerWaalsContact C-N 3.28Å; L24-F26 PolarHBondContact O-N 3.27Å; L24-V27 PolarHBondContact O-N 3.14Å |
| 25 | T | 52.1 | Low | 54.2 | Low | 84 Ų | 84 | 113.3 Ų | 113.3 | 52% | 0.515 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.5 | -24.4 | 177.5 | 35.5 | 0 | 0 | 0 | 0 | 113.3 | L21 K22 | L21-T25 PolarHBondContact O-N 2.79Å; L21-T25 PolarHBondContact O-OG1 2.97Å; K22-T25 WeakPolarHBondContact CA-OG1 3.43Å |
| 26 | F | 46.5 | Very low | 53.8 | Low | 139 Ų | 139 | 112.8 Ų | 112.8 | 61% | 0.61 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -6.1 | 178 | -91 | -94.8 | 0 | 0 | 0 | 114.7 | K22 L24 S28 | K22-F26 HydrophobicContact CG-CD2 3.95Å; K22-F26 HydrophobicContact CG-CE2 3.83Å; K22-F26 WeakPolarHBondContact O-CB 3.21Å; K22-F26 WeakPolarHBondContact O-CD2 3.4Å; K22-F26 PolarHBondContact O-N 2.9Å; L24-F26 VanDerWaalsContact C-N 3.28Å; L24-F26 PolarHBondContact O-N 3.27Å; F26-S28 PolarHBondContact O-N 3.33Å |
| 27 | V | 48.3 | Very low | 53.4 | Low | 78 Ų | 78 | 110.4 Ų | 110.4 | 47% | 0.473 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -78.8 | 62.8 | 157.3 | -167.6 | 0 | 0 | 0 | 0 | 107.1 | L24 | L24-V27 PolarHBondContact O-N 3.14Š|
| 28 | S | 50.6 | Low | 52.9 | Low | 45 Ų | 45 | 113.6 Ų | 113.6 | 32% | 0.315 | 56% | 0.561 | S | S | . | * | trans | -49.8 | 134.3 | 170.5 | 170.9 | 0 | 0 | 0 | 0 | 107.6 | F26 V30 R31 | F26-S28 PolarHBondContact O-N 3.33Å; S28-V30 PolarHBondContact O-N 3.38Å; S28-V30 VanDerWaalsContact OG-CB 3.3Å; S28-V30 WeakPolarHBondContact OG-CB 3.35Å; S28-V30 VanDerWaalsContact OG-CG2 3.29Å; S28-V30 WeakPolarHBondContact OG-CG2 3.41Å; S28-V30 PolarHBondContact OG-N 3.42Å; S28-R31 PolarHBondContact O-N 2.9Å | ||
| 29 | P | 51.7 | Low | 52.4 | Low | 84 Ų | 84 | 115 Ų | 115 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -49 | -22.9 | 170.8 | -26 | 32.8 | 0 | 0 | 0 | 112.6 | R31 W32 L33 | P29-R31 VanDerWaalsContact C-N 3.32Å; P29-R31 PolarHBondContact O-N 3.37Å; P29-W32 CarbonylContact O-C 3.58Å; P29-W32 WeakPolarHBondContact O-CA 3.39Å; P29-W32 WeakPolarHBondContact O-CB 3.49Å; P29-W32 PolarHBondContact O-N 3.44Å; P29-W32 VanDerWaalsContact O-N 3.1Å; P29-L33 PolarHBondContact O-N 3.49Å |
| 30 | V | 52 | Low | 51.6 | Low | 94 Ų | 94 | 113.3 Ų | 113.3 | 57% | 0.57 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62 | -33.1 | 173.6 | -175.3 | 0 | 0 | 0 | 0 | 113 | S28 W32 L33 R34 | S28-V30 PolarHBondContact O-N 3.38Å; S28-V30 VanDerWaalsContact OG-CB 3.3Å; S28-V30 WeakPolarHBondContact OG-CB 3.35Å; S28-V30 VanDerWaalsContact OG-CG2 3.29Å; S28-V30 WeakPolarHBondContact OG-CG2 3.41Å; S28-V30 PolarHBondContact OG-N 3.42Å; V30-W32 VanDerWaalsContact C-N 3.35Å; V30-L33 WeakPolarHBondContact O-CB 3.46Å; V30-L33 PolarHBondContact O-N 2.98Å; V30-R34 PolarHBondContact O-N 3.32Å |
| 31 | R | 55.8 | Low | 50.8 | Low | 186 Ų | 186 | 111 Ų | 111 | 70% | 0.702 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.8 | -33.7 | 172.7 | -84.1 | -173.8 | 165.7 | -161.8 | -3.9 | 112 | S28 P29 R34 A35 | S28-R31 PolarHBondContact O-N 2.9Å; P29-R31 VanDerWaalsContact C-N 3.32Å; P29-R31 PolarHBondContact O-N 3.37Å; R31-R34 PolarHBondContact O-N 3.42Å; R31-A35 WeakPolarHBondContact O-CB 3.3Å; R31-A35 PolarHBondContact O-N 2.95Å |
| 32 | W | 50.9 | Low | 50.2 | Low | 164 Ų | 164 | 114.8 Ų | 114.8 | 62% | 0.621 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.9 | -39.7 | 170.6 | -79.5 | 74.5 | 0 | 0 | 0 | 111.5 | P29 V30 R34 A35 G36 | P29-W32 CarbonylContact O-C 3.58Å; P29-W32 WeakPolarHBondContact O-CA 3.39Å; P29-W32 WeakPolarHBondContact O-CB 3.49Å; P29-W32 PolarHBondContact O-N 3.44Å; P29-W32 VanDerWaalsContact O-N 3.1Å; V30-W32 VanDerWaalsContact C-N 3.35Å; W32-R34 VanDerWaalsContact C-N 3.29Å; W32-R34 PolarHBondContact O-N 3.19Å; W32-A35 PolarHBondContact O-N 3.48Å; W32-G36 PolarHBondContact O-N 2.92Å |
| 33 | L | 48.9 | Very low | 49.5 | Very low | 76 Ų | 76 | 111.3 Ų | 111.3 | 40% | 0.398 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -57.4 | -41.8 | 170.7 | -78.3 | 160.2 | 0 | 0 | 0 | 111.5 | P29 V30 N37 F98 | P29-L33 PolarHBondContact O-N 3.49Å; V30-L33 WeakPolarHBondContact O-CB 3.46Å; V30-L33 PolarHBondContact O-N 2.98Å; L33-N37 WeakPolarHBondContact O-CB 3.39Å; L33-N37 PolarHBondContact O-N 2.93Å; L33-F98 HydrophobicContact CD2-CZ 4.28Å |
| 34 | R | 51.7 | Low | 48.6 | Very low | 190 Ų | 190 | 111.3 Ų | 111.3 | 72% | 0.717 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73 | -30.6 | 178 | -146 | -175.6 | -146.1 | -166.1 | 5.9 | 113.3 | V30 R31 W32 Q38 | V30-R34 PolarHBondContact O-N 3.32Å; R31-R34 PolarHBondContact O-N 3.42Å; W32-R34 VanDerWaalsContact C-N 3.29Å; W32-R34 PolarHBondContact O-N 3.19Å; R34-Q38 WeakPolarHBondContact O-CB 3.33Å; R34-Q38 VanDerWaalsContact O-CG 3.27Å; R34-Q38 WeakPolarHBondContact O-CG 3.49Å; R34-Q38 PolarHBondContact O-N 2.98Å; R34-Q38 PolarHBondContact O-NE2 3.22Å |
| 35 | A | 53.7 | Low | 47.9 | Very low | 60 Ų | 60 | 114.9 Ų | 114.9 | 50% | 0.496 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -77.3 | -41.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R31 W32 Q38 | R31-A35 WeakPolarHBondContact O-CB 3.3Å; R31-A35 PolarHBondContact O-N 2.95Å; W32-A35 PolarHBondContact O-N 3.48Å; A35-Q38 PolarHBondContact O-N 3.37Å |
| 36 | G | 48.8 | Very low | 47.3 | Very low | 45 Ų | 45 | 115.1 Ų | 115.1 | 46% | 0.464 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.2 | -39.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | W32 Q38 | W32-G36 PolarHBondContact O-N 2.92Å; G36-Q38 VanDerWaalsContact C-N 3.34Å; G36-Q38 PolarHBondContact O-N 2.88Å |
| 37 | N | 50.4 | Low | 47.2 | Very low | 125 Ų | 125 | 116.4 Ų | 116.4 | 67% | 0.668 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -10 | 178.4 | -66.7 | -4.3 | 0 | 0 | 0 | 113.9 | L33 | L33-N37 WeakPolarHBondContact O-CB 3.39Å; L33-N37 PolarHBondContact O-N 2.93Å |
| 38 | Q | 46.2 | Very low | 46.8 | Very low | 133 Ų | 133 | 117 Ų | 117 | 62% | 0.621 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -10.3 | 173.8 | -87.3 | 179.5 | 96.6 | 0 | 0 | 113.2 | R34 A35 G36 D40 G41 | R34-Q38 WeakPolarHBondContact O-CB 3.33Å; R34-Q38 VanDerWaalsContact O-CG 3.27Å; R34-Q38 WeakPolarHBondContact O-CG 3.49Å; R34-Q38 PolarHBondContact O-N 2.98Å; R34-Q38 PolarHBondContact O-NE2 3.22Å; A35-Q38 PolarHBondContact O-N 3.37Å; G36-Q38 VanDerWaalsContact C-N 3.34Å; G36-Q38 PolarHBondContact O-N 2.88Å; Q38-D40 PolarHBondContact O-N 3.29Å; Q38-G41 PolarHBondContact O-N 2.96Å |
| 39 | V | 48.2 | Very low | 46.6 | Very low | 116 Ų | 116 | 120.3 Ų | 120.3 | 70% | 0.703 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -17.8 | 177.1 | 176 | 0 | 0 | 0 | 0 | 112.3 | ||
| 40 | D | 48.3 | Very low | 46.2 | Very low | 128 Ų | 128 | 122.8 Ų | 122.8 | 68% | 0.684 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 8.5 | 176.9 | -63.1 | -36.1 | 0 | 0 | 0 | 114 | Q38 | Q38-D40 PolarHBondContact O-N 3.29Š|
| 41 | G | 41 | Very low | 45.6 | Very low | 54 Ų | 54 | 125.6 Ų | 125.6 | 56% | 0.557 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -76.4 | -34.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q38 | Q38-G41 PolarHBondContact O-N 2.96Š|
| 42 | D | 46.6 | Very low | 45 | Very low | 177 Ų | 177 | 123.2 Ų | 123.2 | 95% | 0.947 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -99 | 5.8 | -180 | -80.8 | -22.3 | 0 | 0 | 0 | 113.2 | ||
| 43 | G | 39.2 | Very low | 44.6 | Very low | 61 Ų | 61 | 122.1 Ų | 122.1 | 63% | 0.629 | 68% | 0.68 | S | S | * | * | trans | -99.7 | -10.5 | -177 | 0 | 0 | 0 | 0 | 0 | 115.4 | K45 | G43-K45 PolarHBondContact O-N 3.1Š| ||
| 44 | Q | 37.3 | Very low | 44.2 | Very low | 179 Ų | 179 | 123.7 Ų | 123.7 | 84% | 0.836 | 70% | 0.695 | S | S | * | * | trans | -73.4 | 75.8 | 170.6 | -82.2 | -173.8 | 2.7 | 0 | 0 | 109.4 | S46 | Q44-S46 PolarHBondContact O-N 3.21Š| ||
| 45 | K | 38.7 | Very low | 43.7 | Very low | 195 Ų | 195 | 121.6 Ų | 121.6 | 85% | 0.848 | 70% | 0.696 | S | S | * | * | trans | -51.4 | 101.2 | 146.9 | -88.3 | -179.2 | 175.4 | 177.8 | 0 | 106.1 | G43 L47 | G43-K45 PolarHBondContact O-N 3.1Å; K45-L47 VanDerWaalsContact C-N 3.26Å; K45-L47 PolarHBondContact O-N 3.4Å | ||
| 46 | S | 39 | Very low | 42.8 | Very low | 89 Ų | 89 | 129.2 Ų | 129.2 | 62% | 0.622 | 71% | 0.712 | S | S | * | * | trans | -45.5 | 96.5 | 159.3 | -178.8 | 0 | 0 | 0 | 0 | 107.6 | Q44 T48 | Q44-S46 PolarHBondContact O-N 3.21Å; S46-T48 PolarHBondContact O-N 2.81Å; S46-T48 WeakPolarHBondContact OG-CG2 3.24Å | ||
| 47 | L | 43.6 | Very low | 42.3 | Very low | 165 Ų | 165 | 133.9 Ų | 133.9 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | trans | -80.4 | 68.9 | 162.9 | -137.4 | 113 | 0 | 0 | 0 | 104.7 | K45 T49 | K45-L47 VanDerWaalsContact C-N 3.26Å; K45-L47 PolarHBondContact O-N 3.4Å; L47-T49 PolarHBondContact O-N 2.92Å | ||
| 48 | T | 40 | Very low | 41.7 | Very low | 91 Ų | 91 | 131.2 Ų | 131.2 | 56% | 0.558 | 72% | 0.722 | S | S | * | * | trans | -52.3 | 131.2 | 168.6 | 34.1 | 0 | 0 | 0 | 0 | 107.6 | S46 D50 | S46-T48 PolarHBondContact O-N 2.81Å; S46-T48 WeakPolarHBondContact OG-CG2 3.24Å; T48-D50 PolarHBondContact O-N 3.36Å | ||
| 49 | T | 46.8 | Very low | 41.3 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 25.8 | -168.9 | -52.1 | 0 | 0 | 0 | 0 | 114.5 | L47 I52 | L47-T49 PolarHBondContact O-N 2.92Å; T49-I52 HydrophobicContact CG2-CD1 4.37Å |
| 50 | D | 44 | Very low | 40.8 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | -1.9 | -172 | -62.8 | -34.4 | 0 | 0 | 0 | 114.3 | T48 | T48-D50 PolarHBondContact O-N 3.36Š|
| 51 | N | 37.8 | Very low | 40.1 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -103 | 16.6 | 176.4 | -81.8 | 9.1 | 0 | 0 | 0 | 114.6 | I53 | N51-I53 PolarHBondContact O-N 2.9Š| ||
| 52 | I | 44.7 | Very low | 39.6 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 70% | 0.697 | 75% | 0.753 | S | S | * | * | trans | -73.7 | 88.2 | 164.5 | -52.8 | 177.9 | 0 | 0 | 0 | 107 | T49 P54 | T49-I52 HydrophobicContact CG2-CD1 4.37Å; I52-P54 WeakPolarHBondContact O-CD 3.36Å; I52-P54 VanDerWaalsContact O-N 3.15Å | ||
| 53 | I | 41.2 | Very low | 38.8 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | trans | -49.6 | 120.1 | 165.3 | -61.3 | 168.5 | 0 | 0 | 0 | 106.6 | N51 I55 | N51-I53 PolarHBondContact O-N 2.9Å; I53-I55 PolarHBondContact O-N 2.86Å | ||
| 54 | P | 41 | Very low | 38.5 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 71% | 0.714 | 75% | 0.752 | S | S | * | * | trans | -63.6 | 115.5 | 175.9 | 23.1 | -29.8 | 0 | 0 | 0 | 108.2 | I52 R56 | I52-P54 WeakPolarHBondContact O-CD 3.36Å; I52-P54 VanDerWaalsContact O-N 3.15Å; P54-R56 PolarHBondContact O-N 3.4Å | ||
| 55 | I | 41.2 | Very low | 38.3 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | trans | -67.4 | 91.8 | 169.1 | -59.2 | 175.1 | 0 | 0 | 0 | 106.1 | I53 D57 | I53-I55 PolarHBondContact O-N 2.86Å; I55-D57 VanDerWaalsContact C-N 3.27Å; I55-D57 PolarHBondContact O-N 2.78Å; I55-D57 VanDerWaalsContact O-N 3.09Å | ||
| 56 | R | 35.1 | Very low | 38.1 | Very low | 220 Ų | 220 | 137.1 Ų | 137.1 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | trans | -74.5 | 85.3 | 167.9 | -177.1 | -177 | 168.7 | -173.3 | -3.4 | 107.2 | P54 A58 | P54-R56 PolarHBondContact O-N 3.4Å; R56-A58 VanDerWaalsContact C-N 3.28Å; R56-A58 PolarHBondContact O-N 3.38Å | ||
| 57 | D | 37.1 | Very low | 37.8 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | -75.6 | 91.6 | 160.8 | -71.9 | -26 | 0 | 0 | 0 | 107.5 | I55 | I55-D57 VanDerWaalsContact C-N 3.27Å; I55-D57 PolarHBondContact O-N 2.78Å; I55-D57 VanDerWaalsContact O-N 3.09Å | ||
| 58 | A | 39.1 | Very low | 37.4 | Very low | 68 Ų | 68 | 138.4 Ų | 138.4 | 56% | 0.562 | 75% | 0.754 | S | S | * | * | trans | -66.8 | 128.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109 | R56 | R56-A58 VanDerWaalsContact C-N 3.28Å; R56-A58 PolarHBondContact O-N 3.38Å | ||
| 59 | N | 38 | Very low | 37.4 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | trans | 79 | 92.6 | 167.5 | -60.4 | -3.4 | 0 | 0 | 0 | 117.8 | ||||
| 60 | S | 36.6 | Very low | 37.2 | Very low | 126 Ų | 126 | 142 Ų | 142 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | -154.6 | 105.2 | 120.7 | -166.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 61 | T | 34.8 | Very low | 36.8 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | trans | -76.3 | 134.9 | 175.5 | 43.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 62 | T | 30.4 | Very low | 37.1 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | 81.3 | 132.2 | 141.7 | -129.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 63 | N | 29.1 | Very low | 36.7 | Very low | 134 Ų | 134 | 148.3 Ų | 148.3 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | trans | 78.4 | 93.9 | 153.3 | -60.5 | -7.2 | 0 | 0 | 0 | 118.8 | ||||
| 64 | K | 32.7 | Very low | 36.7 | Very low | 196 Ų | 196 | 148.8 Ų | 148.8 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | -168.5 | 95.3 | 110.9 | -98.3 | 166.8 | -172.3 | -177.2 | 0 | 110.7 | V66 | K64-V66 VanDerWaalsContact C-N 3.3Å; K64-V66 PolarHBondContact O-N 3.37Å; K64-V66 VanDerWaalsContact O-N 3.11Å | |||
| 65 | L | 34.2 | Very low | 36.8 | Very low | 184 Ų | 184 | 148.3 Ų | 148.3 | 96% | 0.963 | 77% | 0.774 | S | S | * | * | trans | -64.6 | 92.8 | 149.8 | -95.4 | 117.6 | 0 | 0 | 0 | 107.4 | ||||
| 66 | V | 33.4 | Very low | 36.8 | Very low | 127 Ų | 127 | 148.5 Ų | 148.5 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -145.1 | 96.1 | 158.2 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | K64 | K64-V66 VanDerWaalsContact C-N 3.3Å; K64-V66 PolarHBondContact O-N 3.37Å; K64-V66 VanDerWaalsContact O-N 3.11Å | ||
| 67 | G | 33.9 | Very low | 37.3 | Very low | 60 Ų | 60 | 147 Ų | 147 | 62% | 0.619 | 78% | 0.776 | S | S | * | * | trans | 45.6 | 110 | 146.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 68 | Y | 34.1 | Very low | 38 | Very low | 220 Ų | 220 | 149.9 Ų | 149.9 | 86% | 0.863 | 78% | 0.776 | S | S | * | * | trans | -147.9 | 78 | 134.8 | -101.5 | -82.3 | 0 | 0 | 0 | 108.1 | S70 | Y68-S70 PolarHBondContact O-N 2.82Š| ||
| 69 | E | 39.9 | Very low | 38.5 | Very low | 199 Ų | 199 | 157.8 Ų | 157.8 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | trans | -75 | 34.6 | 166.6 | -145.2 | 178.5 | -159.3 | 0 | 0 | 110.9 | ||||
| 70 | S | 42.2 | Very low | 39.1 | Very low | 81 Ų | 81 | 156 Ų | 156 | 57% | 0.566 | 78% | 0.781 | S | S | * | * | trans | -147.1 | 87.5 | -173.3 | -64.3 | 0 | 0 | 0 | 0 | 108.1 | Y68 | Y68-S70 PolarHBondContact O-N 2.82Š| ||
| 71 | E | 36 | Very low | 39.8 | Very low | 133 Ų | 133 | 153.5 Ų | 153.5 | 62% | 0.621 | 76% | 0.763 | S | S | * | * | trans | 162.9 | 15.6 | 148.8 | -90.7 | 179.5 | 160.3 | 0 | 0 | 114.2 | R73 F74 | E71-R73 PolarHBondContact O-N 3.46Å; E71-F74 HydrophobicContact CB-CD2 4.11Å; E71-F74 HydrophobicContact CB-CE2 3.43Å; E71-F74 VanDerWaalsContact CB-CE2 3.43Å; E71-F74 HydrophobicContact CB-CZ 3.76Å; E71-F74 HydrophobicContact CG-CE2 4.34Å; E71-F74 HydrophobicContact CG-CZ 4.18Å; E71-F74 WeakPolarHBondContact O-CD2 3.1Å; E71-F74 WeakPolarHBondContact O-CE2 3.24Å; E71-F74 WeakPolarHBondContact O-CG 3.37Å; E71-F74 PolarHBondContact O-N 2.91Å; E71-F74 VanDerWaalsContact OE2-CZ 3.25Å; E71-F74 WeakPolarHBondContact OE2-CZ 3.4Å | ||
| 72 | L | 43.5 | Very low | 40.7 | Very low | 185 Ų | 185 | 151.3 Ų | 151.3 | 97% | 0.969 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 20.5 | 168.7 | -100.5 | 158.6 | 0 | 0 | 0 | 114.6 | F74 | L72-F74 VanDerWaalsContact C-N 3.27Š|
| 73 | R | 37.2 | Very low | 41.9 | Very low | 242 Ų | 242 | 150 Ų | 150 | 91% | 0.913 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 17.2 | 157.1 | -99.5 | -170 | -178.5 | -129.1 | 2.4 | 112.5 | E71 S75 | E71-R73 PolarHBondContact O-N 3.46Å; R73-S75 PolarHBondContact O-N 3.46Å |
| 74 | F | 41.6 | Very low | 42.9 | Very low | 150 Ų | 150 | 146 Ų | 146 | 66% | 0.658 | 74% | 0.736 | S | S | * | * | trans | -60.2 | 87.9 | 170.6 | -76.7 | -62.2 | 0 | 0 | 0 | 110.6 | E71 L72 N76 | E71-F74 HydrophobicContact CB-CD2 4.11Å; E71-F74 HydrophobicContact CB-CE2 3.43Å; E71-F74 VanDerWaalsContact CB-CE2 3.43Å; E71-F74 HydrophobicContact CB-CZ 3.76Å; E71-F74 HydrophobicContact CG-CE2 4.34Å; E71-F74 HydrophobicContact CG-CZ 4.18Å; E71-F74 WeakPolarHBondContact O-CD2 3.1Å; E71-F74 WeakPolarHBondContact O-CE2 3.24Å; E71-F74 WeakPolarHBondContact O-CG 3.37Å; E71-F74 PolarHBondContact O-N 2.91Å; E71-F74 VanDerWaalsContact OE2-CZ 3.25Å; E71-F74 WeakPolarHBondContact OE2-CZ 3.4Å; L72-F74 VanDerWaalsContact C-N 3.27Å; F74-N76 PolarHBondContact O-N 3.49Å; F74-N76 VanDerWaalsContact O-N 3.13Å | ||
| 75 | S | 42 | Very low | 44 | Very low | 100 Ų | 100 | 141.6 Ų | 141.6 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | trans | -14.6 | 111.3 | 145.8 | -175 | 0 | 0 | 0 | 0 | 108.9 | R73 K77 | R73-S75 PolarHBondContact O-N 3.46Å; S75-K77 PolarHBondContact O-N 3.38Å | ||
| 76 | N | 42.6 | Very low | 44.9 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | trans | -63.9 | 64.4 | 167.9 | -173.9 | 19.5 | 0 | 0 | 0 | 108.1 | F74 R78 | F74-N76 PolarHBondContact O-N 3.49Å; F74-N76 VanDerWaalsContact O-N 3.13Å; N76-R78 PolarHBondContact O-N 3.44Å | ||
| 77 | K | 44.1 | Very low | 46 | Very low | 188 Ų | 188 | 136.1 Ų | 136.1 | 82% | 0.817 | 69% | 0.687 | S | S | * | * | trans | -73 | 74.7 | 163.7 | -163.6 | 167.8 | -172.4 | 176.3 | 0 | 103.7 | S75 R79 | S75-K77 PolarHBondContact O-N 3.38Å; K77-R79 PolarHBondContact O-N 2.93Å | ||
| 78 | R | 53.1 | Low | 46.9 | Very low | 206 Ų | 206 | 137.7 Ų | 137.7 | 78% | 0.777 | 68% | 0.681 | S | S | * | * | trans | -37.8 | 106.9 | 172.3 | -166.1 | -176.5 | -149.7 | -173.1 | 6.3 | 105.1 | N76 I80 | N76-R78 PolarHBondContact O-N 3.44Å; R78-I80 WeakPolarHBondContact O-CG1 3.22Å; R78-I80 PolarHBondContact O-N 3.24Å | ||
| 79 | R | 49.6 | Very low | 48.2 | Very low | 233 Ų | 233 | 130.8 Ų | 130.8 | 88% | 0.879 | 66% | 0.659 | S | S | * | * | trans | -59.5 | 98.2 | 179.6 | -165 | 175.8 | 179.5 | -180 | -0.6 | 103.9 | K77 S81 | K77-R79 PolarHBondContact O-N 2.93Å; R79-S81 PolarHBondContact O-N 2.91Å | ||
| 80 | I | 50.2 | Low | 49.3 | Very low | 123 Ų | 123 | 124.7 Ų | 124.7 | 63% | 0.631 | 64% | 0.638 | S | S | * | * | trans | -65.1 | 95.9 | 177.2 | -60.5 | 179.3 | 0 | 0 | 0 | 103.1 | R78 A82 S84 | R78-I80 WeakPolarHBondContact O-CG1 3.22Å; R78-I80 PolarHBondContact O-N 3.24Å; I80-A82 PolarHBondContact O-N 3.39Å; I80-S84 WeakPolarHBondContact CG2-OG 3.44Å | ||
| 81 | S | 51.5 | Low | 50.6 | Low | 73 Ų | 73 | 126.2 Ų | 126.2 | 51% | 0.51 | 64% | 0.636 | S | S | . | * | trans | -52 | 130.9 | 175.1 | -56.7 | 0 | 0 | 0 | 0 | 106.8 | R79 S83 S84 | R79-S81 PolarHBondContact O-N 2.91Å; S81-S83 WeakPolarHBondContact CB-OG 3.5Å; S81-S83 PolarHBondContact O-N 2.89Å; S81-S84 PolarHBondContact O-N 3.36Å | ||
| 82 | A | 53.9 | Low | 52.4 | Low | 79 Ų | 79 | 128.8 Ų | 128.8 | 65% | 0.653 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.3 | -17.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I80 S84 I85 H86 | I80-A82 PolarHBondContact O-N 3.39Å; A82-S84 VanDerWaalsContact C-N 3.28Å; A82-S84 PolarHBondContact O-N 3.34Å; A82-I85 PolarHBondContact O-N 2.67Å; A82-H86 PolarHBondContact O-N 2.85Å |
| 83 | S | 55.7 | Low | 53.9 | Low | 89 Ų | 89 | 127.4 Ų | 127.4 | 62% | 0.622 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -57.1 | -31.8 | 170.1 | 59.8 | 0 | 0 | 0 | 0 | 114.6 | S81 S87 | S81-S83 WeakPolarHBondContact CB-OG 3.5Å; S81-S83 PolarHBondContact O-N 2.89Å; S83-S87 PolarHBondContact O-N 3.39Å |
| 84 | S | 50.5 | Low | 55.7 | Low | 49 Ų | 49 | 119 Ų | 119 | 34% | 0.343 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -81.4 | -15.3 | 179.3 | 82.7 | 0 | 0 | 0 | 0 | 113.6 | I80 S81 A82 S87 | I80-S84 WeakPolarHBondContact CG2-OG 3.44Å; S81-S84 PolarHBondContact O-N 3.36Å; A82-S84 VanDerWaalsContact C-N 3.28Å; A82-S84 PolarHBondContact O-N 3.34Å; S84-S87 PolarHBondContact O-OG 3.5Å |
| 85 | I | 55.1 | Low | 57.5 | Low | 104 Ų | 104 | 117.7 Ų | 117.7 | 53% | 0.533 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -76.3 | -40.3 | 173 | -59.1 | 175.9 | 0 | 0 | 0 | 108.6 | A82 S87 L88 D89 | A82-I85 PolarHBondContact O-N 2.67Å; I85-S87 PolarHBondContact O-N 2.8Å; I85-L88 PolarHBondContact O-N 2.94Å; I85-D89 PolarHBondContact O-N 3.39Å |
| 86 | H | 52.8 | Low | 59.2 | Low | 144 Ų | 144 | 118.6 Ų | 118.6 | 67% | 0.667 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.5 | -30.6 | 176.1 | -107.3 | -3.5 | 0 | 0 | 0 | 114.1 | A82 L88 D89 S90 | A82-H86 PolarHBondContact O-N 2.85Å; H86-L88 VanDerWaalsContact C-N 3.33Å; H86-D89 IonicContact ND1-OD2 3.79Å; H86-D89 PolarHBondContact O-N 3.34Å; H86-S90 PolarHBondContact O-N 2.99Å |
| 87 | S | 55.8 | Low | 60.9 | Low | 52 Ų | 52 | 118.2 Ų | 118.2 | 36% | 0.364 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.9 | -30.6 | 175.5 | 65.6 | 0 | 0 | 0 | 0 | 112.9 | S83 S84 I85 S90 E91 | S83-S87 PolarHBondContact O-N 3.39Å; S84-S87 PolarHBondContact O-OG 3.5Å; I85-S87 PolarHBondContact O-N 2.8Å; S87-S90 PolarHBondContact O-OG 3.38Å; S87-E91 PolarHBondContact O-N 3.35Å |
| 88 | L | 54.5 | Low | 62.7 | Low | 94 Ų | 94 | 113 Ų | 113 | 49% | 0.492 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -72.4 | -32.4 | 175.8 | -69.6 | 172.8 | 0 | 0 | 0 | 112.1 | I85 H86 S90 E91 R92 | I85-L88 PolarHBondContact O-N 2.94Å; H86-L88 VanDerWaalsContact C-N 3.33Å; L88-S90 VanDerWaalsContact C-N 3.33Å; L88-E91 PolarHBondContact O-N 2.86Å; L88-R92 WeakPolarHBondContact O-CG 3.4Å; L88-R92 PolarHBondContact O-N 3.32Å |
| 89 | D | 59.7 | Low | 64.1 | Low | 74 Ų | 74 | 108.6 Ų | 108.6 | 40% | 0.396 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66 | -35.6 | 176.2 | -77.2 | -27.9 | 0 | 0 | 0 | 112.1 | I85 H86 K93 | I85-D89 PolarHBondContact O-N 3.39Å; H86-D89 IonicContact ND1-OD2 3.79Å; H86-D89 PolarHBondContact O-N 3.34Å; D89-K93 WeakPolarHBondContact O-CB 3.33Å; D89-K93 VanDerWaalsContact O-CG 3.26Å; D89-K93 WeakPolarHBondContact O-CG 3.21Å; D89-K93 PolarHBondContact O-N 3.48Å; D89-K93 VanDerWaalsContact O-N 3.14Å |
| 90 | S | 64.3 | Low | 65.8 | Low | 71 Ų | 71 | 102 Ų | 102 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.9 | -42.3 | 175.2 | 60.3 | 0 | 0 | 0 | 0 | 111.6 | H86 S87 L88 R92 K93 C94 | H86-S90 PolarHBondContact O-N 2.99Å; S87-S90 PolarHBondContact O-OG 3.38Å; L88-S90 VanDerWaalsContact C-N 3.33Å; S90-R92 PolarHBondContact O-N 2.98Å; S90-K93 PolarHBondContact O-N 2.95Å; S90-C94 WeakPolarHBondContact O-CB 3.42Å; S90-C94 PolarHBondContact O-N 3.42Å |
| 91 | E | 69.8 | Low | 67.4 | Low | 114 Ų | 114 | 101.6 Ų | 101.6 | 53% | 0.533 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 176.3 | -73.2 | 179.9 | -171.6 | 0 | 0 | 112.3 | S87 L88 C94 L95 | S87-E91 PolarHBondContact O-N 3.35Å; L88-E91 PolarHBondContact O-N 2.86Å; E91-C94 WeakPolarHBondContact O-CB 3.45Å; E91-C94 PolarHBondContact O-N 3.44Å; E91-L95 PolarHBondContact O-N 3.3Å |
| 92 | R | 73.3 | Confident | 68.9 | Low | 187 Ų | 187 | 105.1 Ų | 105.1 | 71% | 0.706 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.4 | -42.5 | 176.9 | -76 | -176.3 | -179.1 | -155.5 | 1.4 | 112.4 | L88 S90 C94 L95 H96 | L88-R92 WeakPolarHBondContact O-CG 3.4Å; L88-R92 PolarHBondContact O-N 3.32Å; S90-R92 PolarHBondContact O-N 2.98Å; R92-C94 VanDerWaalsContact C-N 3.29Å; R92-C94 PolarHBondContact O-N 3.47Å; R92-L95 PolarHBondContact O-N 3.16Å; R92-H96 WeakPolarHBondContact O-CB 3.48Å; R92-H96 PolarHBondContact O-N 3.4Å |
| 93 | K | 74.8 | Confident | 70.4 | Confident | 156 Ų | 156 | 104.8 Ų | 104.8 | 68% | 0.678 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63 | -39.1 | 175.1 | -73.8 | 174.1 | -176 | 176.3 | 0 | 111.3 | D89 S90 H96 F97 | D89-K93 WeakPolarHBondContact O-CB 3.33Å; D89-K93 VanDerWaalsContact O-CG 3.26Å; D89-K93 WeakPolarHBondContact O-CG 3.21Å; D89-K93 PolarHBondContact O-N 3.48Å; D89-K93 VanDerWaalsContact O-N 3.14Å; S90-K93 PolarHBondContact O-N 2.95Å; K93-H96 PolarHBondContact O-N 3.09Å; K93-F97 WeakPolarHBondContact O-CB 3.46Å; K93-F97 PolarHBondContact O-N 3.05Å |
| 94 | C | 74.1 | Confident | 71.9 | Confident | 66 Ų | 66 | 105 Ų | 105 | 45% | 0.446 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -51.4 | 176.1 | -164.3 | 0 | 0 | 0 | 0 | 111.1 | S90 E91 R92 H96 F97 F98 | S90-C94 WeakPolarHBondContact O-CB 3.42Å; S90-C94 PolarHBondContact O-N 3.42Å; E91-C94 WeakPolarHBondContact O-CB 3.45Å; E91-C94 PolarHBondContact O-N 3.44Å; R92-C94 VanDerWaalsContact C-N 3.29Å; R92-C94 PolarHBondContact O-N 3.47Å; C94-H96 VanDerWaalsContact C-N 3.32Å; C94-H96 PolarHBondContact O-N 3.34Å; C94-F97 PolarHBondContact O-N 2.78Å; C94-F98 WeakPolarHBondContact O-CD2 3.34Å; C94-F98 PolarHBondContact O-N 2.83Å; C94-F98 VanDerWaalsContact SG-CE2 3.51Å |
| 95 | L | 79.1 | Confident | 73.6 | Confident | 122 Ų | 122 | 107.2 Ų | 107.2 | 64% | 0.639 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.4 | -41.1 | 176.9 | -77.5 | 170.8 | 0 | 0 | 0 | 112.5 | E91 R92 F98 L99 | E91-L95 PolarHBondContact O-N 3.3Å; R92-L95 PolarHBondContact O-N 3.16Å; L95-F98 PolarHBondContact O-N 2.88Å; L95-L99 WeakPolarHBondContact O-CB 3.43Å; L95-L99 PolarHBondContact O-N 3.48Å |
| 96 | H | 78.6 | Confident | 74.9 | Confident | 119 Ų | 119 | 104.3 Ų | 104.3 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.8 | -43.2 | 177 | -172.7 | -167.9 | 0 | 0 | 0 | 111.6 | R92 K93 C94 F98 L99 L100 | R92-H96 WeakPolarHBondContact O-CB 3.48Å; R92-H96 PolarHBondContact O-N 3.4Å; K93-H96 PolarHBondContact O-N 3.09Å; C94-H96 VanDerWaalsContact C-N 3.32Å; C94-H96 PolarHBondContact O-N 3.34Å; H96-F98 VanDerWaalsContact C-N 3.34Å; H96-F98 PolarHBondContact O-N 3.33Å; H96-L99 PolarHBondContact O-N 2.97Å; H96-L100 WeakPolarHBondContact O-CG 3.43Å; H96-L100 PolarHBondContact O-N 2.85Å |
| 97 | F | 79.2 | Confident | 76.6 | Confident | 139 Ų | 139 | 104 Ų | 104 | 61% | 0.61 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.7 | -42.1 | 175.3 | -172.4 | -95.4 | 0 | 0 | 0 | 111.9 | K93 C94 L99 L100 F101 | K93-F97 WeakPolarHBondContact O-CB 3.46Å; K93-F97 PolarHBondContact O-N 3.05Å; C94-F97 PolarHBondContact O-N 2.78Å; F97-L99 PolarHBondContact O-N 2.86Å; F97-L100 PolarHBondContact O-N 2.97Å; F97-F101 WeakPolarHBondContact O-CB 3.16Å; F97-F101 PolarHBondContact O-N 3Å |
| 98 | F | 80.4 | Confident | 78 | Confident | 80 Ų | 80 | 105.8 Ų | 105.8 | 35% | 0.351 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 174.1 | -87 | -69.6 | 0 | 0 | 0 | 112.5 | L33 C94 L95 H96 F101 Y102 | L33-F98 HydrophobicContact CD2-CZ 4.28Å; C94-F98 WeakPolarHBondContact O-CD2 3.34Å; C94-F98 PolarHBondContact O-N 2.83Å; C94-F98 VanDerWaalsContact SG-CE2 3.51Å; L95-F98 PolarHBondContact O-N 2.88Å; H96-F98 VanDerWaalsContact C-N 3.34Å; H96-F98 PolarHBondContact O-N 3.33Å; F98-F101 PolarHBondContact O-N 3.3Å; F98-Y102 VanDerWaalsContact O-CB 3.24Å; F98-Y102 WeakPolarHBondContact O-CB 3.48Å; F98-Y102 PolarHBondContact O-N 2.91Å |
| 99 | L | 82.7 | Confident | 79.5 | Confident | 113 Ų | 113 | 104.5 Ų | 104.5 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.7 | -40.8 | -178.5 | -152.1 | 145.6 | 0 | 0 | 0 | 111 | L95 H96 F97 Y102 V103 | L95-L99 WeakPolarHBondContact O-CB 3.43Å; L95-L99 PolarHBondContact O-N 3.48Å; H96-L99 PolarHBondContact O-N 2.97Å; F97-L99 PolarHBondContact O-N 2.86Å; L99-Y102 PolarHBondContact O-N 3.46Å; L99-V103 HydrophobicContact CD2-CG2 4.2Å; L99-V103 VanDerWaalsContact O-CG2 3.24Å; L99-V103 WeakPolarHBondContact O-CG2 3.38Å; L99-V103 PolarHBondContact O-N 3.04Å |
| 100 | L | 85.2 | Confident | 80.6 | Confident | 94 Ų | 94 | 105.5 Ų | 105.5 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 172 | -72.5 | 172.5 | 0 | 0 | 0 | 111.6 | H96 F97 Y102 V103 V104 | H96-L100 WeakPolarHBondContact O-CG 3.43Å; H96-L100 PolarHBondContact O-N 2.85Å; F97-L100 PolarHBondContact O-N 2.97Å; L100-Y102 VanDerWaalsContact C-N 3.32Å; L100-Y102 PolarHBondContact O-N 2.79Å; L100-V103 PolarHBondContact O-N 3.34Å; L100-V104 WeakPolarHBondContact O-CG2 3.38Å; L100-V104 PolarHBondContact O-N 3.36Å |
| 101 | F | 83.9 | Confident | 81.7 | Confident | 115 Ų | 115 | 108.3 Ų | 108.3 | 50% | 0.504 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 177.8 | -173.4 | -93.8 | 0 | 0 | 0 | 111.6 | F97 F98 V104 Y105 | F97-F101 WeakPolarHBondContact O-CB 3.16Å; F97-F101 PolarHBondContact O-N 3Å; F98-F101 PolarHBondContact O-N 3.3Å; F101-V104 PolarHBondContact O-N 3.36Å; F101-Y105 VanDerWaalsContact O-CB 3.22Å; F101-Y105 WeakPolarHBondContact O-CB 3.41Å; F101-Y105 PolarHBondContact O-N 3.43Å |
| 102 | Y | 83.7 | Confident | 82.3 | Confident | 147 Ų | 147 | 108.4 Ų | 108.4 | 58% | 0.576 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.5 | -44.3 | 176.9 | -177.5 | -101.2 | 0 | 0 | 0 | 111.9 | F98 L99 L100 Y105 C106 | F98-Y102 VanDerWaalsContact O-CB 3.24Å; F98-Y102 WeakPolarHBondContact O-CB 3.48Å; F98-Y102 PolarHBondContact O-N 2.91Å; L99-Y102 PolarHBondContact O-N 3.46Å; L100-Y102 VanDerWaalsContact C-N 3.32Å; L100-Y102 PolarHBondContact O-N 2.79Å; Y102-Y105 PolarHBondContact O-N 2.79Å; Y102-C106 VanDerWaalsContact CZ-SG 3.51Å; Y102-C106 WeakPolarHBondContact O-CB 3.16Å; Y102-C106 PolarHBondContact O-N 2.82Å; Y102-C106 PolarHBondContact O-SG 3.29Å; Y102-C106 VanDerWaalsContact O-SG 3.34Å |
| 103 | V | 85.7 | Confident | 82.7 | Confident | 72 Ų | 72 | 105.6 Ų | 105.6 | 44% | 0.436 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 175.8 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | L99 L100 Y105 C106 Q107 | L99-V103 HydrophobicContact CD2-CG2 4.2Å; L99-V103 VanDerWaalsContact O-CG2 3.24Å; L99-V103 WeakPolarHBondContact O-CG2 3.38Å; L99-V103 PolarHBondContact O-N 3.04Å; L100-V103 PolarHBondContact O-N 3.34Å; V103-Y105 VanDerWaalsContact C-N 3.32Å; V103-Y105 PolarHBondContact O-N 3.18Å; V103-C106 PolarHBondContact O-N 2.84Å; V103-Q107 WeakPolarHBondContact O-CB 2.97Å; V103-Q107 PolarHBondContact O-N 2.9Å |
| 104 | V | 87 | Confident | 83.1 | Confident | 93 Ų | 93 | 102.6 Ų | 102.6 | 56% | 0.564 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.5 | -42.4 | 177.3 | 173.2 | 0 | 0 | 0 | 0 | 111 | L100 F101 Q107 L108 | L100-V104 WeakPolarHBondContact O-CG2 3.38Å; L100-V104 PolarHBondContact O-N 3.36Å; F101-V104 PolarHBondContact O-N 3.36Å; V104-Q107 PolarHBondContact O-N 3.01Å; V104-L108 WeakPolarHBondContact O-CB 3.46Å; V104-L108 PolarHBondContact O-N 3.37Å |
| 105 | Y | 85.3 | Confident | 83.5 | Confident | 96 Ų | 96 | 103.7 Ų | 103.7 | 38% | 0.376 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 177.5 | 179 | -103.4 | 0 | 0 | 0 | 112.2 | F101 Y102 V103 Q107 L108 I109 | F101-Y105 VanDerWaalsContact O-CB 3.22Å; F101-Y105 WeakPolarHBondContact O-CB 3.41Å; F101-Y105 PolarHBondContact O-N 3.43Å; Y102-Y105 PolarHBondContact O-N 2.79Å; V103-Y105 VanDerWaalsContact C-N 3.32Å; V103-Y105 PolarHBondContact O-N 3.18Å; Y105-Q107 PolarHBondContact O-N 3.42Å; Y105-L108 PolarHBondContact O-N 2.69Å; Y105-I109 HydrophobicContact CD1-CD1 3.68Å; Y105-I109 HydrophobicContact CE1-CD1 3.18Å; Y105-I109 HydrophobicContact CE1-CG1 4.32Å; Y105-I109 HydrophobicContact CE2-CD1 4.13Å; Y105-I109 HydrophobicContact CG-CD1 4.34Å; Y105-I109 VanDerWaalsContact CZ-CD1 3.43Å; Y105-I109 WeakPolarHBondContact O-CG1 3.44Å; Y105-I109 PolarHBondContact O-N 2.81Å |
| 106 | C | 83.5 | Confident | 83.6 | Confident | 42 Ų | 42 | 102.8 Ų | 102.8 | 28% | 0.284 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 175.7 | -73.5 | 0 | 0 | 0 | 0 | 112 | Y102 V103 L108 I109 T110 | Y102-C106 VanDerWaalsContact CZ-SG 3.51Å; Y102-C106 WeakPolarHBondContact O-CB 3.16Å; Y102-C106 PolarHBondContact O-N 2.82Å; Y102-C106 PolarHBondContact O-SG 3.29Å; Y102-C106 VanDerWaalsContact O-SG 3.34Å; V103-C106 PolarHBondContact O-N 2.84Å; C106-L108 VanDerWaalsContact C-N 3.34Å; C106-L108 PolarHBondContact O-N 3.3Å; C106-I109 PolarHBondContact O-N 3.47Å; C106-T110 WeakPolarHBondContact O-CB 3.22Å; C106-T110 PolarHBondContact O-N 3.46Å; C106-T110 PolarHBondContact O-OG1 2.88Å |
| 107 | Q | 87.4 | Confident | 83.7 | Confident | 138 Ų | 138 | 105.5 Ų | 105.5 | 65% | 0.645 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.5 | -39.8 | 177.4 | -170 | 169.5 | -11.1 | 0 | 0 | 111.7 | V103 V104 Y105 T110 F111 | V103-Q107 WeakPolarHBondContact O-CB 2.97Å; V103-Q107 PolarHBondContact O-N 2.9Å; V104-Q107 PolarHBondContact O-N 3.01Å; Y105-Q107 PolarHBondContact O-N 3.42Å; Q107-T110 PolarHBondContact O-N 3.31Å; Q107-F111 WeakPolarHBondContact O-CB 3.39Å; Q107-F111 PolarHBondContact O-N 3.05Å |
| 108 | L | 85.8 | Confident | 84 | Confident | 90 Ų | 90 | 104.2 Ų | 104.2 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 175.7 | -171 | 70.2 | 0 | 0 | 0 | 111.8 | V104 Y105 C106 T110 F111 F112 | V104-L108 WeakPolarHBondContact O-CB 3.46Å; V104-L108 PolarHBondContact O-N 3.37Å; Y105-L108 PolarHBondContact O-N 2.69Å; C106-L108 VanDerWaalsContact C-N 3.34Å; C106-L108 PolarHBondContact O-N 3.3Å; L108-T110 VanDerWaalsContact C-N 3.34Å; L108-T110 PolarHBondContact O-N 3.07Å; L108-F111 WeakPolarHBondContact O-CB 3.33Å; L108-F111 PolarHBondContact O-N 3.4Å; L108-F112 HydrophobicContact CD1-CD2 4.17Å; L108-F112 HydrophobicContact CD1-CE2 3.62Å; L108-F112 HydrophobicContact CD1-CZ 4.5Å; L108-F112 HydrophobicContact CD2-CE2 4.12Å; L108-F112 HydrophobicContact CG-CD2 3.86Å; L108-F112 HydrophobicContact CG-CE2 3.6Å; L108-F112 WeakPolarHBondContact O-CD2 3.48Å; L108-F112 PolarHBondContact O-N 3.32Å |
| 109 | I | 85.9 | Confident | 84.2 | Confident | 67 Ų | 67 | 102.9 Ų | 102.9 | 34% | 0.344 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 175.4 | -71.1 | 167.1 | 0 | 0 | 0 | 110.5 | Y105 C106 F111 F112 E113 | Y105-I109 HydrophobicContact CD1-CD1 3.68Å; Y105-I109 HydrophobicContact CE1-CD1 3.18Å; Y105-I109 HydrophobicContact CE1-CG1 4.32Å; Y105-I109 HydrophobicContact CE2-CD1 4.13Å; Y105-I109 HydrophobicContact CG-CD1 4.34Å; Y105-I109 VanDerWaalsContact CZ-CD1 3.43Å; Y105-I109 WeakPolarHBondContact O-CG1 3.44Å; Y105-I109 PolarHBondContact O-N 2.81Å; C106-I109 PolarHBondContact O-N 3.47Å; I109-F111 VanDerWaalsContact C-N 3.26Å; I109-F111 PolarHBondContact O-N 2.83Å; I109-F112 PolarHBondContact O-N 3.04Å; I109-F112 VanDerWaalsContact O-N 3.09Å; I109-E113 HydrophobicContact CG2-CG 4.17Å; I109-E113 WeakPolarHBondContact O-CG 3.21Å; I109-E113 PolarHBondContact O-N 3.47Å |
| 110 | T | 83.7 | Confident | 84.1 | Confident | 94 Ų | 94 | 99.9 Ų | 99.9 | 58% | 0.577 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.8 | -39.1 | -178.1 | -52.9 | 0 | 0 | 0 | 0 | 111 | C106 Q107 L108 H114 | C106-T110 WeakPolarHBondContact O-CB 3.22Å; C106-T110 PolarHBondContact O-N 3.46Å; C106-T110 PolarHBondContact O-OG1 2.88Å; Q107-T110 PolarHBondContact O-N 3.31Å; L108-T110 VanDerWaalsContact C-N 3.34Å; L108-T110 PolarHBondContact O-N 3.07Å; T110-H114 WeakPolarHBondContact O-CB 3.38Å; T110-H114 PolarHBondContact O-N 3.18Å |
| 111 | F | 85.9 | Confident | 84 | Confident | 130 Ų | 130 | 99.3 Ų | 99.3 | 57% | 0.57 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.1 | -45.3 | 173.6 | 179.4 | -95.1 | 0 | 0 | 0 | 112.2 | Q107 L108 I109 H114 L115 | Q107-F111 WeakPolarHBondContact O-CB 3.39Å; Q107-F111 PolarHBondContact O-N 3.05Å; L108-F111 WeakPolarHBondContact O-CB 3.33Å; L108-F111 PolarHBondContact O-N 3.4Å; I109-F111 VanDerWaalsContact C-N 3.26Å; I109-F111 PolarHBondContact O-N 2.83Å; F111-H114 PolarHBondContact O-N 3.12Å; F111-L115 HydrophobicContact CE1-CD2 4.49Å; F111-L115 WeakPolarHBondContact O-CB 3.19Å; F111-L115 PolarHBondContact O-N 2.97Å |
| 112 | F | 82.3 | Confident | 84 | Confident | 116 Ų | 116 | 99.4 Ų | 99.4 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67 | -41.3 | 178.4 | -81.9 | -64.6 | 0 | 0 | 0 | 113 | L108 I109 H114 L115 F116 | L108-F112 HydrophobicContact CD1-CD2 4.17Å; L108-F112 HydrophobicContact CD1-CE2 3.62Å; L108-F112 HydrophobicContact CD1-CZ 4.5Å; L108-F112 HydrophobicContact CD2-CE2 4.12Å; L108-F112 HydrophobicContact CG-CD2 3.86Å; L108-F112 HydrophobicContact CG-CE2 3.6Å; L108-F112 WeakPolarHBondContact O-CD2 3.48Å; L108-F112 PolarHBondContact O-N 3.32Å; I109-F112 PolarHBondContact O-N 3.04Å; I109-F112 VanDerWaalsContact O-N 3.09Å; F112-H114 VanDerWaalsContact C-N 3.33Å; F112-H114 PolarHBondContact O-N 3.36Å; F112-L115 PolarHBondContact O-N 3.31Å; F112-F116 WeakPolarHBondContact O-CB 3.24Å; F112-F116 PolarHBondContact O-N 2.9Å |
| 113 | E | 82.8 | Confident | 83.9 | Confident | 128 Ų | 128 | 98.4 Ų | 98.4 | 60% | 0.598 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.2 | -46 | 173.9 | -76.1 | -65.8 | 144.5 | 0 | 0 | 111.1 | I109 F116 W117 | I109-E113 HydrophobicContact CG2-CG 4.17Å; I109-E113 WeakPolarHBondContact O-CG 3.21Å; I109-E113 PolarHBondContact O-N 3.47Å; E113-F116 PolarHBondContact O-N 3.23Å; E113-W117 WeakPolarHBondContact O-CB 3.37Å; E113-W117 PolarHBondContact O-N 2.85Å |
| 114 | H | 82.5 | Confident | 83.7 | Confident | 94 Ų | 94 | 99.4 Ų | 99.4 | 44% | 0.435 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.7 | -38.1 | 178.1 | -173.7 | -116.9 | 0 | 0 | 0 | 112.8 | T110 F111 F112 F116 W117 K118 | T110-H114 WeakPolarHBondContact O-CB 3.38Å; T110-H114 PolarHBondContact O-N 3.18Å; F111-H114 PolarHBondContact O-N 3.12Å; F112-H114 VanDerWaalsContact C-N 3.33Å; F112-H114 PolarHBondContact O-N 3.36Å; H114-F116 VanDerWaalsContact C-N 3.33Å; H114-W117 PolarHBondContact O-N 3.43Å; H114-K118 WeakPolarHBondContact CE1-CE 3.47Å; H114-K118 PolarHBondContact CE1-NZ 3.43Å; H114-K118 WeakPolarHBondContact O-CG 3.22Å; H114-K118 PolarHBondContact O-N 3.41Å |
| 115 | L | 83.5 | Confident | 83.3 | Confident | 89 Ų | 89 | 97.9 Ų | 97.9 | 47% | 0.466 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 173.8 | -174.8 | 67.9 | 0 | 0 | 0 | 111 | F111 F112 K118 A119 | F111-L115 HydrophobicContact CE1-CD2 4.49Å; F111-L115 WeakPolarHBondContact O-CB 3.19Å; F111-L115 PolarHBondContact O-N 2.97Å; F112-L115 PolarHBondContact O-N 3.31Å; L115-K118 PolarHBondContact O-N 3.28Å; L115-A119 WeakPolarHBondContact O-CB 3.41Å; L115-A119 PolarHBondContact O-N 3Å |
| 116 | F | 81.7 | Confident | 83 | Confident | 103 Ų | 103 | 97.3 Ų | 97.3 | 45% | 0.452 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 178.1 | -167.6 | -95 | 0 | 0 | 0 | 111.4 | F14 F112 E113 H114 A119 S120 | F14-F116 HydrophobicContact CE1-CZ 4.13Å; F112-F116 WeakPolarHBondContact O-CB 3.24Å; F112-F116 PolarHBondContact O-N 2.9Å; E113-F116 PolarHBondContact O-N 3.23Å; H114-F116 VanDerWaalsContact C-N 3.33Å; F116-A119 PolarHBondContact O-N 3.43Å; F116-S120 WeakPolarHBondContact O-CB 3.42Å; F116-S120 PolarHBondContact O-N 2.81Å |
| 117 | W | 80.8 | Confident | 82.8 | Confident | 175 Ų | 175 | 101.3 Ų | 101.3 | 66% | 0.663 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.5 | -46.3 | 175.9 | -171.3 | 7.7 | 0 | 0 | 0 | 111.8 | E113 H114 A119 S120 I121 | E113-W117 WeakPolarHBondContact O-CB 3.37Å; E113-W117 PolarHBondContact O-N 2.85Å; H114-W117 PolarHBondContact O-N 3.43Å; W117-A119 VanDerWaalsContact C-N 3.34Å; W117-A119 PolarHBondContact O-N 2.91Å; W117-S120 PolarHBondContact O-N 3.2Å; W117-I121 HydrophobicContact CG-CD1 4.38Å; W117-I121 WeakPolarHBondContact O-CG1 3.47Å; W117-I121 PolarHBondContact O-N 3.46Å |
| 118 | K | 84.2 | Confident | 82.3 | Confident | 112 Ų | 112 | 100.2 Ų | 100.2 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 174.7 | -77.4 | -179.4 | 169.4 | -176.9 | 0 | 112.4 | H114 L115 S120 I121 L122 | H114-K118 WeakPolarHBondContact CE1-CE 3.47Å; H114-K118 PolarHBondContact CE1-NZ 3.43Å; H114-K118 WeakPolarHBondContact O-CG 3.22Å; H114-K118 PolarHBondContact O-N 3.41Å; L115-K118 PolarHBondContact O-N 3.28Å; K118-S120 VanDerWaalsContact C-N 3.34Å; K118-I121 PolarHBondContact O-N 2.85Å; K118-L122 WeakPolarHBondContact O-CG 3.36Å; K118-L122 PolarHBondContact O-N 2.91Å |
| 119 | A | 84.5 | Confident | 81.8 | Confident | 52 Ų | 52 | 101.4 Ų | 101.4 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L115 F116 W117 L122 L123 | L115-A119 WeakPolarHBondContact O-CB 3.41Å; L115-A119 PolarHBondContact O-N 3Å; F116-A119 PolarHBondContact O-N 3.43Å; W117-A119 VanDerWaalsContact C-N 3.34Å; W117-A119 PolarHBondContact O-N 2.91Å; A119-L122 PolarHBondContact O-N 3.44Å; A119-L123 WeakPolarHBondContact O-CB 3.41Å; A119-L123 PolarHBondContact O-N 3.38Å |
| 120 | S | 81.2 | Confident | 81.4 | Confident | 51 Ų | 51 | 104.8 Ų | 104.8 | 36% | 0.357 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 176 | -165 | 0 | 0 | 0 | 0 | 111.5 | F116 W117 K118 L122 L123 D124 | F116-S120 WeakPolarHBondContact O-CB 3.42Å; F116-S120 PolarHBondContact O-N 2.81Å; W117-S120 PolarHBondContact O-N 3.2Å; K118-S120 VanDerWaalsContact C-N 3.34Å; S120-L122 VanDerWaalsContact C-N 3.32Å; S120-L122 PolarHBondContact O-N 2.92Å; S120-L123 PolarHBondContact O-N 3.37Å; S120-L123 VanDerWaalsContact O-N 3.12Å; S120-D124 PolarHBondContact O-N 2.95Å |
| 121 | I | 83.9 | Confident | 80.9 | Confident | 82 Ų | 82 | 102.4 Ų | 102.4 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 176.9 | -67.4 | 166.4 | 0 | 0 | 0 | 110.7 | W117 K118 L123 D124 C125 | W117-I121 HydrophobicContact CG-CD1 4.38Å; W117-I121 WeakPolarHBondContact O-CG1 3.47Å; W117-I121 PolarHBondContact O-N 3.46Å; K118-I121 PolarHBondContact O-N 2.85Å; I121-L123 VanDerWaalsContact C-N 3.28Å; I121-L123 PolarHBondContact O-N 3.35Å; I121-D124 PolarHBondContact O-N 2.75Å; I121-C125 WeakPolarHBondContact O-CB 3.37Å; I121-C125 PolarHBondContact O-N 3.26Å; I121-C125 PolarHBondContact O-SG 3.4Å; I121-C125 VanDerWaalsContact O-SG 3.35Å |
| 122 | L | 82 | Confident | 80.3 | Confident | 117 Ų | 117 | 99.6 Ų | 99.6 | 61% | 0.613 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.8 | -40.7 | 177.1 | -75.5 | 171 | 0 | 0 | 0 | 111.5 | K118 A119 S120 C125 C126 | K118-L122 WeakPolarHBondContact O-CG 3.36Å; K118-L122 PolarHBondContact O-N 2.91Å; A119-L122 PolarHBondContact O-N 3.44Å; S120-L122 VanDerWaalsContact C-N 3.32Å; S120-L122 PolarHBondContact O-N 2.92Å; L122-C125 PolarHBondContact O-N 3.23Å; L122-C126 WeakPolarHBondContact O-CB 3.5Å; L122-C126 PolarHBondContact O-N 2.95Å; L122-C126 PolarHBondContact O-SG 3.41Å |
| 123 | L | 81.6 | Confident | 79.8 | Confident | 125 Ų | 125 | 98.2 Ų | 98.2 | 65% | 0.654 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.6 | -40.2 | -179.6 | -152.8 | 145.6 | 0 | 0 | 0 | 111.6 | A119 S120 I121 C126 F127 | A119-L123 WeakPolarHBondContact O-CB 3.41Å; A119-L123 PolarHBondContact O-N 3.38Å; S120-L123 PolarHBondContact O-N 3.37Å; S120-L123 VanDerWaalsContact O-N 3.12Å; I121-L123 VanDerWaalsContact C-N 3.28Å; I121-L123 PolarHBondContact O-N 3.35Å; L123-C126 PolarHBondContact O-N 2.87Å; L123-F127 WeakPolarHBondContact O-CB 3.34Å; L123-F127 PolarHBondContact O-N 2.81Å |
| 124 | D | 82.3 | Confident | 79.3 | Confident | 93 Ų | 93 | 99.2 Ų | 99.2 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 173.8 | -71.1 | -29.1 | 0 | 0 | 0 | 111.7 | S120 I121 F127 L128 | S120-D124 PolarHBondContact O-N 2.95Å; I121-D124 PolarHBondContact O-N 2.75Å; D124-F127 WeakPolarHBondContact O-CB 3.32Å; D124-F127 PolarHBondContact O-N 2.85Å; D124-L128 WeakPolarHBondContact O-CG 3.48Å; D124-L128 PolarHBondContact O-N 2.88Å |
| 125 | C | 79.5 | Confident | 78.2 | Confident | 62 Ų | 62 | 99.9 Ų | 99.9 | 42% | 0.419 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 174.3 | -76.6 | 0 | 0 | 0 | 0 | 112 | I121 L122 F127 L128 L129 | I121-C125 WeakPolarHBondContact O-CB 3.37Å; I121-C125 PolarHBondContact O-N 3.26Å; I121-C125 PolarHBondContact O-SG 3.4Å; I121-C125 VanDerWaalsContact O-SG 3.35Å; L122-C125 PolarHBondContact O-N 3.23Å; C125-F127 VanDerWaalsContact C-N 3.28Å; C125-F127 PolarHBondContact O-N 3.45Å; C125-L128 PolarHBondContact O-N 2.93Å; C125-L129 WeakPolarHBondContact O-CG 3.47Å; C125-L129 PolarHBondContact O-N 3.34Å |
| 126 | C | 78.7 | Confident | 77.4 | Confident | 83 Ų | 83 | 100.7 Ų | 100.7 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.9 | -38.4 | 174.9 | -74.7 | 0 | 0 | 0 | 0 | 111.7 | L122 L123 F130 | L122-C126 WeakPolarHBondContact O-CB 3.5Å; L122-C126 PolarHBondContact O-N 2.95Å; L122-C126 PolarHBondContact O-SG 3.41Å; L123-C126 PolarHBondContact O-N 2.87Å; C126-F130 WeakPolarHBondContact O-CB 3.35Å; C126-F130 PolarHBondContact O-N 3.4Å |
| 127 | F | 79.1 | Confident | 76.7 | Confident | 127 Ų | 127 | 103.6 Ų | 103.6 | 56% | 0.557 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68 | -41.7 | 177.7 | -175.6 | -96.7 | 0 | 0 | 0 | 112.6 | L123 D124 C125 F130 S131 | L123-F127 WeakPolarHBondContact O-CB 3.34Å; L123-F127 PolarHBondContact O-N 2.81Å; D124-F127 WeakPolarHBondContact O-CB 3.32Å; D124-F127 PolarHBondContact O-N 2.85Å; C125-F127 VanDerWaalsContact C-N 3.28Å; C125-F127 PolarHBondContact O-N 3.45Å; F127-F130 PolarHBondContact O-N 3.2Å; F127-S131 WeakPolarHBondContact O-CB 3.4Å; F127-S131 PolarHBondContact O-N 2.86Å; F127-S131 PolarHBondContact O-OG 3Å |
| 128 | L | 77.3 | Confident | 76 | Confident | 114 Ų | 114 | 102 Ų | 102 | 60% | 0.597 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.4 | -45.9 | 174.5 | -73.3 | 174.2 | 0 | 0 | 0 | 111.3 | D124 C125 F130 S131 S132 | D124-L128 WeakPolarHBondContact O-CG 3.48Å; D124-L128 PolarHBondContact O-N 2.88Å; C125-L128 PolarHBondContact O-N 2.93Å; L128-F130 VanDerWaalsContact C-N 3.35Å; L128-F130 PolarHBondContact O-N 3.45Å; L128-S131 PolarHBondContact O-N 2.98Å; L128-S132 WeakPolarHBondContact O-CB 3.34Å; L128-S132 PolarHBondContact O-N 3.01Å; L128-S132 PolarHBondContact O-OG 3.34Å |
| 129 | L | 75.5 | Confident | 75.1 | Confident | 115 Ų | 115 | 101.3 Ų | 101.3 | 60% | 0.602 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.3 | -42.8 | 176.1 | -73.6 | 170.6 | 0 | 0 | 0 | 112.1 | C125 S132 N133 | C125-L129 WeakPolarHBondContact O-CG 3.47Å; C125-L129 PolarHBondContact O-N 3.34Å; L129-S132 PolarHBondContact O-N 3.31Å; L129-N133 WeakPolarHBondContact O-CB 3.47Å; L129-N133 PolarHBondContact O-N 3.02Å; L129-N133 PolarHBondContact O-ND2 2.86Å |
| 130 | F | 76.8 | Confident | 73.9 | Confident | 138 Ų | 138 | 104.6 Ų | 104.6 | 61% | 0.605 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.1 | -40.5 | 177.1 | -170.7 | -96.9 | 0 | 0 | 0 | 112.1 | C126 F127 L128 K134 | C126-F130 WeakPolarHBondContact O-CB 3.35Å; C126-F130 PolarHBondContact O-N 3.4Å; F127-F130 PolarHBondContact O-N 3.2Å; L128-F130 VanDerWaalsContact C-N 3.35Å; L128-F130 PolarHBondContact O-N 3.45Å; F130-K134 WeakPolarHBondContact O-CB 3.45Å; F130-K134 PolarHBondContact O-N 3.11Å |
| 131 | S | 73.6 | Confident | 72.9 | Confident | 45 Ų | 45 | 109 Ų | 109 | 32% | 0.315 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.3 | -41.9 | 177.3 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | F127 L128 K134 L135 | F127-S131 WeakPolarHBondContact O-CB 3.4Å; F127-S131 PolarHBondContact O-N 2.86Å; F127-S131 PolarHBondContact O-OG 3Å; L128-S131 PolarHBondContact O-N 2.98Å; S131-K134 PolarHBondContact O-N 2.93Å; S131-L135 WeakPolarHBondContact O-CB 3.46Å; S131-L135 PolarHBondContact O-N 3.11Å |
| 132 | S | 72.3 | Confident | 71.9 | Confident | 71 Ų | 71 | 113.7 Ų | 113.7 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62 | -48 | 174.4 | -69.4 | 0 | 0 | 0 | 0 | 112 | L128 L129 K134 L135 E136 | L128-S132 WeakPolarHBondContact O-CB 3.34Å; L128-S132 PolarHBondContact O-N 3.01Å; L128-S132 PolarHBondContact O-OG 3.34Å; L129-S132 PolarHBondContact O-N 3.31Å; S132-K134 VanDerWaalsContact C-N 3.28Å; S132-K134 PolarHBondContact O-N 3.44Å; S132-L135 WeakPolarHBondContact O-CB 3.47Å; S132-L135 PolarHBondContact O-N 3.11Å; S132-L135 VanDerWaalsContact O-N 3.11Å; S132-E136 WeakPolarHBondContact O-CB 3.42Å; S132-E136 PolarHBondContact O-N 3.34Å |
| 133 | N | 73 | Confident | 70.9 | Confident | 87 Ų | 87 | 115.4 Ų | 115.4 | 47% | 0.465 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.8 | -36.6 | 176.8 | -77.1 | -22.7 | 0 | 0 | 0 | 112.4 | L129 K137 | L129-N133 WeakPolarHBondContact O-CB 3.47Å; L129-N133 PolarHBondContact O-N 3.02Å; L129-N133 PolarHBondContact O-ND2 2.86Å; N133-K137 WeakPolarHBondContact O-CG 3.45Å; N133-K137 PolarHBondContact O-N 3.06Å; N133-K137 VanDerWaalsContact O-N 3.1Å |
| 134 | K | 70.7 | Confident | 69.8 | Low | 148 Ų | 148 | 118.1 Ų | 118.1 | 64% | 0.643 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.5 | -37 | 176.6 | -167.9 | 176.8 | -177.7 | 179.7 | 0 | 111.6 | F130 S131 S132 K138 | F130-K134 WeakPolarHBondContact O-CB 3.45Å; F130-K134 PolarHBondContact O-N 3.11Å; S131-K134 PolarHBondContact O-N 2.93Å; S132-K134 VanDerWaalsContact C-N 3.28Å; S132-K134 PolarHBondContact O-N 3.44Å; K134-K138 WeakPolarHBondContact O-CB 3.39Å; K134-K138 PolarHBondContact O-N 2.97Å; K134-K138 VanDerWaalsContact O-N 3.11Å |
| 135 | L | 60.7 | Low | 69.2 | Low | 108 Ų | 108 | 119.4 Ų | 119.4 | 57% | 0.565 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.8 | -45.1 | 175.4 | -169.7 | 73 | 0 | 0 | 0 | 110.9 | S131 S132 K137 K138 I139 | S131-L135 WeakPolarHBondContact O-CB 3.46Å; S131-L135 PolarHBondContact O-N 3.11Å; S132-L135 WeakPolarHBondContact O-CB 3.47Å; S132-L135 PolarHBondContact O-N 3.11Å; S132-L135 VanDerWaalsContact O-N 3.11Å; L135-K137 PolarHBondContact O-N 2.97Å; L135-K138 CarbonylContact O-C 3.6Å; L135-K138 WeakPolarHBondContact O-CA 3.45Å; L135-K138 WeakPolarHBondContact O-CB 3.49Å; L135-K138 PolarHBondContact O-N 3.2Å; L135-I139 HydrophobicContact CG-CD1 4.13Å; L135-I139 WeakPolarHBondContact O-CG1 3.37Å; L135-I139 PolarHBondContact O-N 3.31Å |
| 136 | E | 65.5 | Low | 68.7 | Low | 107 Ų | 107 | 122.4 Ų | 122.4 | 50% | 0.5 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -58.3 | -47.4 | 176.9 | -169.9 | -177.5 | 175.1 | 0 | 0 | 111.3 | S132 K138 I139 H140 | S132-E136 WeakPolarHBondContact O-CB 3.42Å; S132-E136 PolarHBondContact O-N 3.34Å; E136-K138 VanDerWaalsContact C-N 3.27Å; E136-K138 PolarHBondContact O-N 3.35Å; E136-I139 PolarHBondContact O-N 3.1Å; E136-H140 PolarHBondContact O-CD2 3.23Å; E136-H140 PolarHBondContact O-N 3.3Å |
| 137 | K | 67.6 | Low | 68.1 | Low | 163 Ų | 163 | 124.6 Ų | 124.6 | 71% | 0.709 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -60.3 | -35.4 | 173.5 | -73.3 | -178.3 | -178.5 | -175.4 | 0 | 113 | N133 L135 L141 | N133-K137 WeakPolarHBondContact O-CG 3.45Å; N133-K137 PolarHBondContact O-N 3.06Å; N133-K137 VanDerWaalsContact O-N 3.1Å; L135-K137 PolarHBondContact O-N 2.97Å; K137-L141 WeakPolarHBondContact O-CB 3.43Å; K137-L141 PolarHBondContact O-N 2.9Å; K137-L141 VanDerWaalsContact O-N 3.1Å |
| 138 | K | 65.4 | Low | 67.5 | Low | 141 Ų | 141 | 124.4 Ų | 124.4 | 61% | 0.613 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.4 | -32.3 | 178.7 | -165.1 | 176.4 | -176 | -177.7 | 0 | 112.3 | K134 L135 E136 K142 | K134-K138 WeakPolarHBondContact O-CB 3.39Å; K134-K138 PolarHBondContact O-N 2.97Å; K134-K138 VanDerWaalsContact O-N 3.11Å; L135-K138 CarbonylContact O-C 3.6Å; L135-K138 WeakPolarHBondContact O-CA 3.45Å; L135-K138 WeakPolarHBondContact O-CB 3.49Å; L135-K138 PolarHBondContact O-N 3.2Å; E136-K138 VanDerWaalsContact C-N 3.27Å; E136-K138 PolarHBondContact O-N 3.35Å; K138-K142 PolarHBondContact O-N 3.04Å |
| 139 | I | 66.4 | Low | 66.9 | Low | 99 Ų | 99 | 125.1 Ų | 125.1 | 51% | 0.508 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -71.1 | -47.2 | 174.6 | -66.4 | 166.1 | 0 | 0 | 0 | 109.8 | L135 E136 L141 K142 L143 | L135-I139 HydrophobicContact CG-CD1 4.13Å; L135-I139 WeakPolarHBondContact O-CG1 3.37Å; L135-I139 PolarHBondContact O-N 3.31Å; E136-I139 PolarHBondContact O-N 3.1Å; I139-L141 VanDerWaalsContact C-N 3.3Å; I139-L141 PolarHBondContact O-N 3.46Å; I139-K142 PolarHBondContact O-N 3.1Å; I139-L143 PolarHBondContact O-N 3.42Å |
| 140 | H | 58.1 | Low | 66.3 | Low | 120 Ų | 120 | 125.7 Ų | 125.7 | 56% | 0.556 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -58.7 | -39.7 | 176 | -86.6 | -74.1 | 0 | 0 | 0 | 112.9 | E136 K142 L143 | E136-H140 PolarHBondContact O-CD2 3.23Å; E136-H140 PolarHBondContact O-N 3.3Å; H140-K142 VanDerWaalsContact C-N 3.27Å; H140-K142 PolarHBondContact O-N 3.31Å; H140-L143 PolarHBondContact O-N 3.37Å |
| 141 | L | 61.2 | Low | 65.5 | Low | 145 Ų | 145 | 124.9 Ų | 124.9 | 76% | 0.759 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.9 | -21 | 177.6 | -159.6 | 82.6 | 0 | 0 | 0 | 113.6 | K137 I139 | K137-L141 WeakPolarHBondContact O-CB 3.43Å; K137-L141 PolarHBondContact O-N 2.9Å; K137-L141 VanDerWaalsContact O-N 3.1Å; I139-L141 VanDerWaalsContact C-N 3.3Å; I139-L141 PolarHBondContact O-N 3.46Å |
| 142 | K | 62.8 | Low | 64.9 | Low | 179 Ų | 179 | 131 Ų | 131 | 78% | 0.778 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -87.9 | -15.9 | 175.9 | -91.2 | -169.7 | 172.5 | -168 | 0 | 113.4 | K138 I139 H140 | K138-K142 PolarHBondContact O-N 3.04Å; I139-K142 PolarHBondContact O-N 3.1Å; H140-K142 VanDerWaalsContact C-N 3.27Å; H140-K142 PolarHBondContact O-N 3.31Å |
| 143 | L | 61.9 | Low | 64.3 | Low | 153 Ų | 153 | 136 Ų | 136 | 80% | 0.801 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -94.4 | -12.6 | -176.9 | -146 | 107.9 | 0 | 0 | 0 | 113 | I139 H140 | I139-L143 PolarHBondContact O-N 3.42Å; H140-L143 PolarHBondContact O-N 3.37Å |
| 144 | V | 58.5 | Low | 63.5 | Low | 182 Ų | 182 | 140.5 Ų | 140.5 | 100% | 1.103 | 69% | 0.685 | S | S | * | * | trans | -96.7 | 0 | 171.5 | 179.6 | 0 | 0 | 0 | 0 | 109 |
Retrieved 144 of 144 residues in 25.1 ms
(Link to these results)